#DEFINITION	Reference Metabolome for Helianthus annuus
#IDENTTFIER	RefMeta-Helianthus annuus.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Helianthus annuus
#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 Helianthus annuus 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	307.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
68.30661	0.3
70.19297	1.5
70.28879	0.3
101.00898	3.5
119.01942	4.0
137.02930	0.6
138.30902	0.4
140.98824	1.0
158.99919	3.3
165.99355	0.4
177.00972	10.2
182.99905	0.9
184.85971	0.5
201.01010	3.3
217.04123	2.1
219.02037	15.2
225.00905	2.2
242.99510	0.6
243.02011	14.0
261.03085	100.0
262.03174	2.1
265.02856	0.9
266.03412	0.5
284.04703	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	306.9018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03384	0.4
60.14013	0.3
60.14338	0.4
60.40499	0.4
63.14655	0.4
69.16904	2.0
69.17329	1.9
70.06573	0.9
78.15362	0.4
84.30814	0.4
87.70496	0.4
94.93020	27.5
96.92825	4.2
101.00830	0.5
109.91698	1.2
112.89603	1.7
118.08636	1.7
119.01868	0.4
144.11351	0.5
145.03552	0.5
164.93567	2.5
167.87431	0.4
173.91418	0.4
174.04419	0.6
189.13416	1.0
202.89111	100.0
203.89371	0.5
216.90767	2.7
218.92212	3.1
230.88608	10.6
232.88403	6.1
232.92308	1.1
244.90288	3.4
246.88057	3.1
248.89656	0.4
306.90222	2.5
307.04581	0.5
307.07883	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	306.9024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40491	0.7
71.34759	1.2
85.14704	0.8
94.93021	39.3
96.92825	7.3
110.26072	0.9
111.32706	0.8
112.89619	12.4
114.89342	2.6
119.42745	0.8
126.70458	0.9
150.89618	1.1
153.10927	0.9
164.93533	3.0
172.09596	0.9
174.80920	0.9
190.89087	0.8
190.91307	1.8
202.89119	100.0
216.51106	0.8
216.90773	3.6
218.92250	2.3
230.88609	30.7
232.88419	14.3
232.92108	4.3
244.90353	4.1
246.88100	4.4
247.01175	0.9
248.89680	1.6
293.10760	0.9
306.90240	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	306.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46279	0.3
60.00066	0.3
69.07063	1.4
69.36897	3.1
75.85894	0.4
79.05503	1.1
81.07053	0.9
91.05504	0.6
93.07039	0.6
94.04214	2.2
97.06572	0.4
103.25843	0.4
107.04943	0.5
107.08620	0.4
109.06523	0.6
109.10172	0.5
114.09196	0.5
122.03653	6.1
126.09192	0.5
128.21794	0.4
132.82495	0.3
133.10133	0.8
135.11717	0.9
137.05986	100.0
137.35599	0.4
138.06297	0.9
153.12746	1.1
157.24075	0.4
170.15419	1.7
182.15425	2.1
184.31665	0.4
185.40279	0.3
204.12939	0.4
231.94086	0.4
306.20682	1.2
328.13049	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.9
57.07080	100.0
59.91758	0.9
59.99119	11.3
60.87162	0.7
67.05499	1.3
71.50919	1.1
79.05500	1.5
85.07666	1.4
86.05591	1.2
86.06076	16.9
91.05486	1.0
95.08576	1.1
102.03785	2.1
102.99601	1.2
106.06566	64.6
116.05328	45.7
122.62331	0.8
137.05991	15.9
141.13795	0.9
145.04326	12.0
161.37267	0.9
181.70647	0.8
186.80614	0.7
201.10590	56.0
208.05412	3.6
250.10181	4.8
281.96234	0.7
306.16415	4.8
306.28055	1.0
326.31836	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1702
Annotation	Convolamine
Peak:m/z	Relative Intensity
53.03943	1.2
55.05517	2.0
57.03432	1.2
58.06605	7.0
59.04997	2.1
60.04532	40.3
67.05511	2.7
69.03432	1.9
69.07076	21.4
70.17784	2.0
70.18176	2.0
71.04992	5.2
72.08163	1.3
79.05508	6.9
81.07056	13.5
82.06602	1.0
82.16985	1.2
83.01318	2.2
84.08138	3.6
85.02902	12.2
85.06544	1.5
91.05464	5.3
93.07059	5.6
95.05051	1.0
95.08599	3.1
96.08170	1.3
96.08870	1.2
98.09672	3.5
103.05460	1.0
105.07045	6.2
106.80047	1.0
107.04955	3.5
107.08593	5.8
109.06518	3.1
109.10159	3.0
115.05410	1.4
117.07017	3.7
119.04935	1.6
119.08571	4.4
121.06499	3.7
121.10120	2.0
123.08080	1.1
127.11220	5.8
128.06226	2.1
129.07011	2.1
130.07768	1.4
131.08577	7.3
133.06511	1.4
133.10141	2.6
135.08061	4.1
135.11647	1.3
137.06007	7.2
142.07787	1.1
143.08553	6.4
145.06499	4.0
145.10138	5.9
146.06032	2.7
147.06801	5.2
147.08057	9.7
147.11659	1.4
149.05994	3.4
151.07524	4.5
159.08087	6.4
159.11717	2.6
161.09688	6.8
163.07562	10.2
163.11169	2.3
165.09123	3.5
170.10960	1.1
171.07993	1.3
173.08385	3.2
173.09685	1.7
173.13300	2.9
174.06746	1.3
174.09167	2.4
175.07559	5.3
177.07689	1.0
177.09103	5.0
178.12227	1.6
179.04028	8.2
179.07056	1.0
180.04805	10.3
183.11737	1.5
186.10477	1.3
187.07587	1.9
187.09763	1.4
187.11255	2.2
189.09151	6.0
190.74149	1.0
191.07056	3.1
191.10722	1.3
192.04765	2.1
201.12764	9.4
205.08644	1.4
205.12234	4.0
206.06363	8.0
207.13817	1.0
208.09683	1.5
219.13861	6.1
220.07942	1.6
229.12286	2.8
232.07986	2.3
246.14917	2.2
247.13261	4.1
264.15967	33.1
288.14169	5.3
306.17355	100.0
307.17542	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.8
56.79924	0.6
60.04527	3.0
60.33996	0.6
62.84206	0.6
64.76159	0.6
67.05495	3.5
68.05822	0.7
69.07057	2.5
70.47908	0.6
71.04661	0.7
71.05002	10.1
71.50903	0.7
71.51290	1.0
79.05505	1.3
81.07060	3.0
83.08620	0.6
91.05459	1.2
93.07044	1.9
95.08594	2.6
96.08932	0.7
105.07037	1.0
106.07358	1.0
107.08585	2.4
109.06509	0.9
109.10127	2.3
111.04447	0.6
118.06536	0.8
119.08567	1.8
120.08869	0.7
127.11198	11.7
128.11568	0.6
130.06523	0.7
130.48022	0.6
131.08510	0.7
135.07997	0.7
136.12007	1.0
137.05962	2.7
139.02058	1.1
145.10016	0.9
146.05992	7.2
147.06801	14.6
147.07942	0.5
159.08031	0.8
160.07567	2.0
163.07445	0.7
165.02422	1.4
170.17067	0.6
172.07607	1.2
173.08371	8.9
174.09174	3.2
178.03256	1.1
179.04013	23.8
180.04793	29.4
184.07561	0.8
186.09096	0.9
187.09891	3.8
192.04776	3.6
198.09048	1.7
204.04846	1.3
205.05510	1.5
206.06366	21.7
212.86842	0.7
217.05489	1.6
218.06300	2.2
219.07079	0.8
220.07895	5.9
232.07930	8.4
232.54207	0.7
234.09541	0.8
242.15331	0.9
246.11931	1.1
250.08926	0.7
264.15906	1.4
288.14188	14.6
288.24014	1.0
306.15158	100.0
307.15527	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2476
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
55.01846	4.2
55.05517	21.4
56.78982	3.8
56.96568	4.0
57.07062	8.7
59.05013	3.7
60.04512	4.3
63.20220	3.4
67.05505	58.0
69.06737	4.0
69.07072	44.8
70.75840	7.5
70.76189	4.4
71.04984	3.4
79.05498	33.2
81.07062	95.1
83.05012	5.3
83.08614	13.4
85.06554	4.2
90.21996	3.1
91.05499	37.4
93.07048	76.2
95.05014	3.9
95.08612	100.0
97.06567	3.8
97.10181	9.8
105.07035	81.3
107.08603	45.5
109.10170	57.3
110.82078	3.3
111.11717	20.7
117.07024	10.4
119.08595	30.5
121.10145	42.4
123.11703	16.4
123.66578	3.3
125.09615	6.6
129.07062	4.4
131.08601	28.3
133.10129	59.6
135.11690	34.2
137.13263	8.1
143.08571	8.2
145.10141	24.0
147.11702	27.9
149.13260	37.2
151.11188	16.1
157.10161	12.3
159.11700	21.1
161.09561	4.4
161.13258	78.7
163.14868	8.3
165.16447	4.4
167.14345	4.4
171.11681	11.6
173.13274	12.1
173.88914	3.6
174.35100	3.5
175.14838	14.8
177.12785	4.1
177.16464	5.5
179.14299	8.3
185.13237	10.2
187.14827	11.3
189.16415	8.9
199.14850	11.4
201.16432	9.4
207.17398	4.4
213.16388	14.9
229.19513	4.6
231.17453	4.9
238.67059	3.6
257.22638	4.7
259.20493	4.9
259.24304	5.1
269.22678	47.8
287.20343	3.5
287.23672	72.5
305.21198	9.5
305.24716	87.8
306.16888	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	305.2478
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03950	5.0
53.68245	3.2
55.01888	3.3
55.05510	33.5
57.03436	4.2
57.07074	9.6
59.05009	3.6
67.05511	45.7
69.03440	5.6
69.07073	25.0
70.02195	15.5
71.05002	22.3
79.05500	31.9
81.07059	100.0
83.04980	26.5
83.08621	8.0
85.06548	7.0
91.05485	29.5
93.07048	50.0
95.04991	6.1
95.08613	94.2
97.06526	6.1
97.10184	7.0
105.07043	51.2
107.08597	60.9
109.06512	6.2
109.10158	47.5
111.08097	9.8
111.11736	4.4
117.07018	9.1
119.08578	40.1
121.06513	8.0
121.10149	45.0
123.08066	6.9
123.11707	12.7
125.09641	12.9
127.11189	14.5
128.06230	5.5
128.11568	6.6
129.07031	6.3
129.11803	4.4
131.08600	17.3
133.10141	33.4
135.04558	4.8
135.08070	12.9
135.11699	30.2
137.06001	4.0
137.09584	7.8
137.13284	11.4
142.07747	3.8
143.08592	12.9
145.10139	26.8
146.06070	4.2
147.06871	7.0
147.07980	5.1
147.11697	23.1
149.09676	5.1
149.13237	22.2
151.11203	6.6
156.09361	3.6
157.10129	14.2
157.95190	3.2
159.11705	21.3
161.09711	5.1
161.13277	18.4
163.11211	4.8
163.14850	18.8
165.12744	6.1
171.08104	6.2
171.11703	13.7
173.08377	9.1
173.13309	15.1
175.07504	5.0
175.14870	9.1
177.16431	5.2
179.04053	17.1
180.04796	22.7
185.13222	9.2
187.14839	10.8
189.09128	13.4
189.16350	11.1
191.07108	5.4
191.14236	4.4
199.11255	7.7
199.14880	8.2
201.09200	4.5
201.16354	9.1
203.07214	3.1
203.10666	9.7
206.06326	15.8
213.16409	13.4
217.12244	14.6
227.10689	16.6
229.19508	15.1
232.07880	4.4
245.11737	58.6
269.19824	5.0
269.22678	23.1
275.23730	8.9
287.12823	15.7
287.16125	3.8
287.20490	6.0
287.23657	33.4
288.14288	10.3
305.13846	39.1
305.21310	6.3
305.24670	48.0
306.15173	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2114
Annotation	Acalycixeniolide K
Peak:m/z	Relative Intensity
54.38256	0.9
55.05513	10.1
57.03446	1.2
59.35316	0.9
65.03918	1.2
66.29693	0.8
67.05505	9.7
69.07077	4.6
69.59653	4.4
69.60059	1.5
69.60182	0.8
79.05074	1.1
79.05502	13.4
81.07058	15.2
83.08598	3.0
89.89523	0.9
91.04984	1.4
91.05492	19.9
93.07055	16.2
95.04956	2.5
95.08053	1.3
95.08618	12.7
97.06542	2.6
97.10194	5.7
98.97610	2.0
105.07043	21.6
107.04951	1.1
107.08604	36.5
109.06496	1.7
109.10155	9.3
117.07014	8.1
119.08588	21.4
121.06519	0.9
121.10146	7.6
123.11707	2.6
123.12615	0.8
125.09584	1.6
129.06989	3.5
131.08578	9.8
133.10135	17.0
135.08055	1.2
135.11702	23.1
143.08531	5.3
144.09305	0.7
145.10150	13.4
147.11696	15.9
149.09563	1.2
149.13260	11.0
151.11195	3.2
155.08580	1.1
157.10135	3.7
159.11708	9.0
161.13261	7.9
163.07481	0.8
163.11192	2.9
163.14864	1.2
165.12677	1.6
171.11710	6.0
171.61473	0.8
173.13297	6.4
175.00253	0.8
175.14713	1.3
177.12756	3.2
179.03314	1.3
179.10648	1.7
181.12213	2.1
185.13290	5.1
187.14813	1.4
189.12805	1.2
189.16458	1.4
191.14273	1.7
193.12267	5.0
195.13814	2.2
199.14810	3.6
203.14311	0.9
207.13702	1.0
209.04414	1.3
209.11726	4.7
213.16460	1.7
215.17966	1.2
217.12305	1.5
217.15915	0.8
223.13263	6.2
229.19571	5.0
231.21057	1.0
235.13258	4.0
237.14970	1.5
241.19522	22.8
243.13797	2.9
243.20987	2.1
245.19446	1.6
249.14893	2.1
259.20633	14.2
269.19000	3.6
275.20364	1.1
277.21655	1.7
287.16873	1.5
287.20035	10.7
305.10141	3.5
305.21124	100.0
306.21622	1.0
306.26141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24320	0.7
53.03946	2.0
55.01891	0.8
55.05507	1.6
67.05517	3.9
67.31440	0.8
69.07066	1.7
69.27792	5.5
69.28204	2.3
70.06599	10.7
79.05485	1.3
81.07066	5.8
82.16451	0.9
91.05481	5.0
93.07055	5.2
95.04990	1.6
95.08623	1.7
105.07021	2.1
107.08615	1.7
108.08105	2.4
109.06516	1.0
109.10170	3.3
112.07604	8.9
119.08562	0.9
121.10156	1.7
122.06009	5.0
123.05690	1.1
123.11688	1.1
124.07593	10.1
126.05508	1.1
131.08597	1.3
133.10126	1.3
135.11726	1.0
136.07588	100.0
139.11209	1.1
140.07074	4.4
145.10135	0.9
149.09642	0.9
152.07080	18.5
164.07079	80.1
165.12662	0.9
170.08134	4.5
182.08141	15.2
267.03525	0.9
287.13855	4.3
287.23727	0.9
305.14810	2.2
305.24716	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	305.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.4
55.01875	0.5
65.03933	0.4
67.05510	2.0
69.07075	0.4
70.39165	0.3
71.23741	0.5
77.03951	0.4
79.05513	1.1
80.05037	0.4
81.07054	1.6
83.04996	0.5
84.08173	0.4
88.65232	0.4
91.05482	4.2
93.07047	3.7
94.06588	0.8
95.04974	1.5
95.08610	1.0
96.08141	0.7
97.06541	0.6
98.97604	1.3
105.04520	0.6
105.07005	0.8
107.08630	0.5
108.04498	0.5
108.08144	1.7
109.06507	0.4
109.10144	0.7
117.07047	0.5
119.08570	0.7
121.06510	0.4
121.10165	0.5
122.06049	3.9
123.04479	0.5
124.07595	11.0
126.05515	1.3
129.07062	0.4
131.08592	0.6
133.10149	0.6
136.07587	100.0
137.07898	0.9
138.09138	0.7
140.07069	0.8
142.07870	0.3
143.08615	0.6
145.10127	0.7
147.11754	0.5
149.09569	0.5
150.05518	0.8
152.07080	19.7
155.08574	0.4
157.10197	0.7
158.99638	0.3
159.11638	0.4
164.07077	77.2
165.07451	0.5
166.08609	0.4
169.10130	0.3
170.05971	0.5
170.08148	4.9
171.11681	0.4
173.09639	0.7
182.08138	17.3
199.14821	0.5
212.09431	0.5
213.16254	0.4
229.43312	0.3
239.60942	0.3
259.16977	0.6
269.12830	0.6
269.18820	0.9
287.13943	3.7
287.20013	0.4
300.68066	0.4
300.77124	0.4
305.05484	1.2
305.11340	0.4
305.14856	2.0
305.18036	0.5
305.21152	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	1.5
69.49647	1.7
69.50056	2.2
71.04950	0.7
71.08634	8.5
84.04504	8.9
84.08154	0.7
85.02908	28.2
87.04453	1.2
88.11275	23.7
95.01340	1.4
102.05544	9.4
112.03936	0.8
130.05013	52.5
131.03384	1.0
137.06015	0.8
172.13333	20.1
200.12827	100.0
201.13184	0.6
204.19484	0.6
218.13892	12.2
286.13095	1.2
304.05179	0.7
304.13931	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93519	8.0
56.96566	61.2
60.04523	5.2
69.03416	20.1
69.07069	11.2
70.06586	18.9
70.49603	4.9
70.88731	11.9
72.08147	10.8
72.93781	9.8
81.07060	11.9
83.22077	5.4
84.04498	9.0
84.08128	23.3
84.96049	13.6
85.02914	32.8
85.06537	5.4
86.06059	7.9
86.09696	15.8
87.10017	6.8
89.94037	6.5
91.05537	6.3
91.25768	4.7
93.07065	6.0
95.42141	5.2
97.02892	13.9
98.06046	21.2
98.21262	6.0
98.97589	100.0
100.99119	7.0
101.00864	14.3
103.00651	6.8
109.02888	8.8
109.06519	6.3
110.97580	37.2
111.71104	6.3
112.99123	8.5
114.05540	15.0
115.05875	7.4
116.98608	34.7
119.01917	17.3
120.08131	5.5
123.04383	6.2
124.07565	11.9
124.99114	5.5
125.07925	9.0
127.00619	6.9
128.98618	31.1
131.01913	9.3
134.99611	8.2
140.07072	45.0
143.00169	11.7
143.01894	16.7
145.01700	14.3
146.99675	12.3
157.03404	7.6
158.05986	9.1
158.99644	21.2
159.03275	17.3
161.02963	18.8
161.04895	8.3
163.02779	14.3
170.99757	7.6
171.03311	5.7
172.94350	10.0
173.02931	8.8
174.99246	6.9
177.00699	17.9
177.04445	12.5
179.05928	8.4
184.95975	7.3
185.02950	10.9
185.04839	5.6
185.09204	6.6
186.09526	15.8
190.95326	11.5
201.00612	7.0
203.04048	12.8
203.05951	15.1
219.01761	48.9
221.06934	7.1
232.96504	9.3
235.04942	12.7
237.02812	50.9
250.97447	10.7
287.14212	16.7
289.03433	6.7
289.11221	14.7
305.08838	55.8
305.11972	29.3
323.10028	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.3
57.03437	4.1
59.72014	1.5
60.04538	9.6
61.02912	4.8
69.03431	13.5
69.07071	44.6
70.57277	3.9
71.08298	1.6
71.08638	18.1
73.02915	2.4
76.13353	1.4
81.03407	7.6
84.04517	3.3
84.08114	1.9
85.02911	73.1
86.02440	8.4
96.08138	3.9
97.02296	3.1
97.02897	50.5
97.06551	4.0
99.04452	2.5
103.03948	5.6
109.02896	12.0
114.09174	17.1
121.99722	2.0
127.03935	14.0
138.09146	3.5
142.08638	100.0
145.04941	8.3
145.96248	1.8
155.86673	1.9
156.10158	3.0
184.09703	86.5
193.12434	1.4
208.09738	18.0
220.09720	3.3
250.10785	13.9
286.13141	2.4
304.13901	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	304.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01865	1.6
57.03434	3.9
60.04533	9.9
61.02922	4.6
69.03441	15.8
69.07072	46.4
70.06571	1.8
70.61373	3.4
70.61712	2.6
71.08636	26.6
73.02915	2.5
79.05474	1.6
80.05008	2.9
81.03414	11.9
84.04485	4.3
85.02910	79.3
86.02459	7.6
91.03951	2.3
94.25050	1.8
96.08122	3.1
97.02895	47.4
97.06512	6.9
103.03940	8.5
109.02878	13.9
110.02418	1.9
114.05531	2.2
114.09183	17.9
127.03938	18.1
135.05493	1.6
138.09155	4.3
142.08640	100.0
145.04947	5.4
156.10211	4.2
168.06583	5.2
184.09708	88.1
185.09236	5.3
190.85391	1.5
208.09666	16.4
220.09686	3.0
250.10770	10.3
286.13519	4.8
298.09814	1.6
304.13779	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	303.2319
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
55.05504	2.9
64.12107	0.8
67.05508	9.9
69.07066	2.9
69.43933	5.7
79.04504	0.9
79.05489	4.3
81.07060	22.7
83.08624	1.0
91.05480	5.6
93.07045	14.3
95.08614	30.1
97.06525	0.9
97.10192	1.4
98.21539	1.3
105.07048	9.0
107.08591	14.3
109.10159	14.9
109.61519	0.7
119.08591	9.6
121.10139	10.3
123.11726	5.3
131.08572	1.4
133.10135	9.0
135.11705	11.8
145.10129	3.7
147.10538	0.9
147.11685	12.4
149.13260	17.5
159.11700	1.6
161.13271	16.3
163.14853	4.8
167.10602	0.8
173.13225	2.4
175.14841	12.7
178.58061	0.7
179.10735	1.6
187.14871	5.5
189.12764	0.8
193.12277	3.0
201.16406	11.7
215.17992	1.0
229.19540	0.9
246.60422	0.8
257.22656	100.0
258.23083	1.3
267.21085	3.2
285.22107	9.4
303.23187	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	303.2318
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
50.95540	1.5
51.91888	1.6
53.07514	1.1
53.38368	1.4
55.05503	3.3
59.69569	1.5
62.18417	1.3
62.92257	1.4
67.05183	2.2
67.05509	25.5
69.07055	5.9
70.63276	4.3
74.21266	1.3
77.03893	1.5
77.75757	1.6
79.05495	17.5
81.06596	2.3
81.07062	33.5
83.08627	2.5
91.05470	11.5
93.06482	2.5
93.07046	33.7
95.04990	2.5
95.08612	29.8
97.10184	1.8
105.07049	11.4
107.08593	20.5
109.10162	25.3
111.08089	1.6
119.08588	13.4
121.09342	2.6
121.10152	39.5
123.11712	11.4
127.11221	1.3
131.08600	2.5
133.09395	1.3
133.10149	12.8
135.11697	28.4
139.11176	4.8
145.10130	4.2
147.11700	23.7
149.13274	42.1
159.11693	2.8
161.13280	17.5
163.14789	5.3
167.10699	3.1
173.13280	2.9
175.14824	25.3
181.12186	1.5
187.14793	5.1
189.12704	1.5
193.12125	2.0
201.16402	9.8
215.95076	1.4
257.22653	100.0
267.20996	7.1
276.42792	1.5
285.22086	15.2
303.19650	1.7
303.23218	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2319
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
50.04015	1.4
53.00303	1.4
53.03944	2.4
55.05514	10.2
57.07083	2.1
60.65897	1.3
65.03916	1.8
67.05508	18.6
69.03410	1.7
69.07072	27.4
70.79395	3.2
71.04996	51.5
71.30088	1.4
79.05495	14.3
81.07056	23.3
81.81065	1.3
83.04989	3.3
83.08614	5.3
86.09684	1.5
86.39426	1.3
91.05480	16.9
93.07049	28.7
95.04966	7.3
95.08611	27.7
97.06543	10.8
103.05453	2.3
105.07034	19.1
107.08595	18.9
109.06528	3.1
109.09468	2.4
109.10162	26.9
111.08065	2.0
111.11723	20.8
117.07015	6.0
119.08593	17.6
120.08132	8.8
121.06499	14.1
121.10159	19.9
123.08080	6.8
123.11709	4.7
125.05991	3.2
127.11202	100.0
128.06187	1.7
129.06996	5.6
131.08565	19.1
133.10133	10.7
135.08044	3.6
135.11708	11.1
137.09615	2.5
138.09186	2.9
139.11186	2.1
143.08553	5.7
145.10129	11.6
147.08040	3.6
147.11705	8.3
149.09601	7.6
149.13232	7.3
155.08568	3.0
157.10088	7.4
159.08101	2.4
159.11688	14.2
161.09642	2.8
161.13284	5.0
163.11191	1.5
163.14795	3.3
167.10661	2.3
169.10136	5.3
171.11734	2.4
173.09631	2.6
173.13254	6.6
175.07501	2.2
175.11223	3.5
175.14832	6.1
177.09128	11.8
177.12732	1.6
177.16399	5.2
181.10173	2.6
183.11705	3.7
185.13275	2.0
187.11130	1.8
187.14841	4.0
189.09108	5.6
189.12660	2.0
197.13297	2.8
199.14828	2.2
201.12737	3.4
201.16437	6.3
203.10712	4.8
205.15936	1.9
211.14801	4.0
215.14278	2.0
217.12242	2.0
225.16310	2.5
227.17850	1.9
229.12321	10.3
229.15892	1.9
231.10101	2.1
239.18034	1.7
241.12178	3.2
241.19577	2.5
243.13760	4.9
255.21277	1.5
257.18945	1.7
257.22778	1.9
259.13364	10.0
267.21060	11.1
285.12292	3.8
285.18512	7.3
285.22156	19.0
303.04865	2.1
303.10590	1.6
303.16241	12.5
303.19565	6.8
303.23083	30.4
322.19583	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2319
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
50.38330	1.3
50.68757	1.2
53.03931	4.0
55.01860	2.3
55.05510	15.4
57.03431	2.2
57.07074	3.3
59.04995	1.7
65.03935	2.3
66.15343	1.1
67.05509	47.0
67.44496	1.2
69.03418	2.1
69.07069	15.2
70.17657	5.1
71.04998	10.9
77.03905	2.8
79.05496	37.8
81.07060	82.8
83.04974	6.1
83.08602	8.5
85.06538	1.7
85.14108	1.0
91.05486	40.0
93.07049	73.8
95.04966	8.3
95.08611	84.0
97.06544	8.1
97.10159	4.6
97.84003	1.1
98.21493	1.5
99.04395	1.1
105.04536	1.6
105.07036	58.3
106.56968	1.1
107.04963	39.4
107.08600	57.3
109.06528	7.8
109.09479	2.1
109.10164	28.7
111.04441	1.2
111.08100	5.7
111.11724	1.3
115.05453	1.9
117.07010	13.1
119.08591	44.1
121.06490	4.7
121.10149	27.8
121.44522	1.3
123.08068	10.7
123.11717	10.7
125.09619	6.6
127.11199	14.1
128.06192	3.1
129.07039	7.5
131.08566	30.9
132.09210	1.1
133.06543	1.9
133.10138	39.8
135.08064	5.3
135.11702	26.8
137.05952	1.4
137.09596	7.2
137.13272	1.6
139.11140	3.6
141.06970	3.6
142.07774	2.2
143.08572	11.3
144.09372	1.7
145.09055	2.1
145.10129	29.3
147.08023	3.5
147.11696	33.8
149.09610	5.9
149.13269	18.0
151.07486	2.3
151.11189	8.7
153.09134	1.6
155.07112	2.1
155.08542	7.0
156.09314	1.9
157.10150	13.0
159.11708	20.1
161.09579	2.1
161.13269	24.4
163.11194	5.5
163.14822	6.8
165.12752	3.7
167.03400	2.3
169.10159	7.7
171.11668	13.4
173.13260	14.3
175.11172	3.3
175.14822	13.4
177.09013	2.1
177.12782	6.5
179.07065	1.5
179.14322	3.8
183.11691	7.5
185.13257	15.2
187.14879	9.3
189.09193	2.2
189.12753	3.7
189.16373	1.8
191.14297	4.9
193.15794	2.4
197.08084	16.3
197.13155	7.3
199.14856	12.0
201.12813	1.5
201.16370	8.0
203.14297	4.0
205.15866	2.4
207.13861	1.7
211.14847	12.0
213.16327	4.7
215.14316	2.7
215.17966	2.3
217.15846	4.6
225.16408	6.0
227.17961	33.2
228.85326	1.3
229.12253	1.9
229.15883	3.9
229.19472	3.4
239.17876	2.7
241.19478	2.3
243.13669	1.7
243.17513	2.1
245.19058	11.3
247.16927	3.4
255.21075	6.2
257.18839	2.3
257.22638	10.0
259.13321	3.3
267.21082	27.9
273.22119	6.2
285.18719	2.9
285.22128	55.0
288.05594	1.4
303.08441	2.8
303.12308	3.1
303.16299	5.7
303.19846	3.9
303.23172	100.0
304.23428	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2321
Annotation	5Z,8Z,10E,12E,14Z-Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03924	5.4
53.35317	2.0
55.01864	4.6
55.05315	1.9
55.05515	21.8
57.07059	5.3
57.47722	2.1
59.04993	7.5
63.74362	2.0
64.49934	2.1
65.03934	3.2
67.05506	45.6
69.03420	9.9
69.07072	17.6
69.66076	6.5
69.66480	6.8
71.04998	29.0
77.03902	2.2
79.05080	2.9
79.05503	46.5
81.06593	4.1
81.07061	74.1
83.01373	2.3
83.04562	2.0
83.04971	14.1
83.08624	16.0
85.06554	4.1
88.46887	2.2
91.05492	38.9
93.06490	3.9
93.07052	70.9
95.04975	16.0
95.08615	74.6
97.06546	34.6
97.10166	5.1
99.08099	2.8
103.05514	3.4
105.07042	62.1
107.04918	2.1
107.07883	2.9
107.08607	59.5
109.06542	11.8
109.10150	33.1
111.08070	6.1
113.09596	2.9
115.05460	3.0
117.07024	15.6
119.08595	37.7
121.06535	14.0
121.10159	28.4
123.08079	12.8
123.11696	6.6
125.09629	8.9
127.11191	46.5
129.07051	11.8
129.07834	2.0
131.08588	34.4
133.10141	39.9
135.08058	19.5
135.11705	19.5
137.05936	2.6
137.09615	6.3
138.09055	2.3
141.07068	4.1
142.07773	5.0
143.07494	2.8
143.08549	19.4
144.09256	2.4
145.10126	29.2
147.08026	5.2
147.11702	29.5
149.09677	12.3
149.13264	13.2
151.07533	4.6
151.11189	7.9
153.09126	4.5
155.08591	11.7
155.10637	4.4
156.09291	2.7
157.10170	19.9
159.08029	6.6
159.11676	24.5
161.09593	8.1
161.13271	24.4
161.34648	2.3
163.07585	2.4
163.11194	6.3
163.14838	5.0
164.07146	2.7
165.07013	2.4
165.12813	3.1
168.09344	4.9
169.10173	5.2
171.11650	12.9
173.09621	4.6
173.13297	16.2
174.06700	4.0
175.07446	2.5
175.11195	6.4
175.14856	13.9
177.09132	5.8
177.12772	3.5
179.14322	3.8
181.10164	5.7
183.11717	9.4
185.13266	15.6
187.07530	2.3
187.11134	3.8
187.14835	9.8
189.09116	14.6
189.12770	5.6
189.16385	6.1
191.10637	2.8
193.12146	2.2
197.13261	7.1
199.11145	3.7
199.13217	2.4
199.14859	16.1
201.12718	4.4
201.16386	8.1
203.10667	8.1
203.14323	5.4
205.15924	3.1
206.09346	3.7
207.10176	8.8
211.14839	8.6
213.09161	3.3
213.16267	3.2
215.14288	2.3
215.17921	3.9
217.15898	12.3
221.15369	3.4
225.16383	3.8
227.17984	17.8
229.12193	4.6
229.15958	5.6
239.17995	3.9
241.12164	5.2
243.11522	3.1
243.13820	4.1
243.17445	4.8
245.19075	3.9
247.17058	3.7
255.21060	2.7
257.15356	2.3
257.22662	12.6
259.13339	20.5
261.18579	2.6
267.21097	22.1
273.22110	4.7
285.12405	4.6
285.18588	8.0
285.22119	46.9
286.56641	2.5
303.16098	40.3
303.19620	13.6
303.23166	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2321
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.00315	0.8
53.03935	0.8
54.32900	0.6
55.05520	3.1
57.03433	1.7
64.70471	0.6
67.05510	5.2
69.07072	3.0
70.83943	0.7
70.84267	1.1
71.05000	49.3
79.05499	2.9
81.07058	8.5
83.08618	2.6
87.58178	0.7
90.72179	0.5
91.05489	2.6
93.07054	4.6
95.08620	5.9
95.33006	0.5
97.06551	1.1
105.07030	5.3
107.04958	2.9
107.08604	5.7
109.10167	7.1
117.07049	0.7
119.08575	3.9
121.06517	12.0
121.10147	3.1
122.94399	0.6
123.08064	0.8
123.11703	1.3
127.11203	100.0
128.11517	0.7
131.08603	3.1
133.10126	2.5
135.11679	2.2
143.08580	1.2
145.10098	3.7
146.46521	0.6
147.08038	1.0
147.11678	2.4
149.09636	2.0
149.13274	2.5
151.11162	0.6
155.08525	0.6
157.10107	1.1
159.08104	1.4
159.11699	1.7
161.13281	2.3
163.14845	2.2
169.10124	1.1
171.11758	2.0
172.08894	0.8
173.09676	1.6
173.13316	1.6
175.11163	0.9
175.14871	1.7
177.09114	11.6
177.12749	0.7
183.11703	1.0
185.09673	0.8
185.13361	1.5
186.00310	0.6
187.14835	1.7
189.09164	4.3
189.12759	0.8
197.08089	1.6
197.13295	1.0
199.14748	0.8
201.12805	1.6
201.16420	1.4
203.10695	5.5
211.14748	0.8
213.12827	1.1
215.10748	0.9
217.12302	1.3
227.18007	2.5
229.12270	8.7
231.10245	2.1
243.13875	1.4
257.22626	4.9
259.13327	6.6
267.21063	1.7
285.18539	6.0
285.22150	3.2
303.12500	1.1
303.15967	9.8
303.19620	2.5
303.23026	6.9
304.28479	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2321
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
55.05514	7.8
63.50965	1.6
65.68758	1.5
67.05505	33.7
69.07061	8.8
69.29417	2.7
69.29823	11.7
70.46784	1.5
71.04987	2.6
78.71194	1.7
79.05498	22.4
81.07059	46.9
83.04958	2.0
83.08617	4.7
91.05482	14.4
93.06488	3.0
93.07050	47.4
95.08617	42.2
97.06545	3.2
97.10168	2.8
105.06508	1.8
105.07055	19.0
107.04960	2.1
107.08602	29.6
109.10171	27.3
117.07025	2.0
119.08577	16.6
121.09341	3.5
121.10162	46.7
123.08044	1.9
123.11736	11.1
125.13140	1.7
127.11184	7.7
130.20207	1.6
131.08551	6.1
133.10138	17.3
135.11697	35.3
137.00841	2.8
137.13177	2.3
139.11168	6.3
145.10121	5.6
147.11702	27.1
149.13274	43.9
151.11200	2.0
151.68922	1.6
153.00354	8.8
155.01965	8.2
159.11671	5.6
161.13289	17.2
163.14828	5.4
167.10686	6.5
171.01413	30.1
171.11641	2.0
171.58849	1.8
173.13277	3.0
175.14835	27.3
177.12785	1.8
185.13235	1.9
187.11157	1.6
187.14825	6.6
193.12282	2.5
200.55374	1.7
201.16403	8.8
207.13756	1.9
215.17995	1.7
221.10248	3.1
227.18288	1.6
237.09740	7.1
239.17770	2.4
244.21138	1.6
255.40396	1.7
257.22668	100.0
267.21118	6.3
285.22089	16.6
303.05066	2.0
303.17969	12.2
303.23172	33.6
303.30814	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	303.2319
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
52.65088	2.3
53.03942	6.9
55.01873	2.9
55.05518	21.3
57.03442	2.4
57.07071	5.1
57.94240	2.2
67.05510	54.4
69.03445	2.5
69.07069	39.0
70.76035	6.7
71.05000	53.9
79.05505	38.6
81.03419	3.3
81.06595	4.4
81.07060	65.1
83.05004	14.0
83.08611	12.2
91.05486	48.6
93.06484	4.6
93.07050	82.1
95.04953	9.7
95.08610	64.2
97.06537	32.7
97.10184	3.1
105.07040	43.8
107.04951	8.9
107.08596	44.1
109.06497	8.3
109.10165	54.6
111.08047	5.9
111.11708	9.4
116.06279	2.7
117.07040	33.1
119.08594	44.4
121.06520	15.9
121.10142	39.6
123.08057	6.5
123.11684	10.8
125.05967	7.2
125.09589	4.5
127.11200	100.0
128.06190	3.5
129.06978	12.8
130.07794	3.3
131.08572	37.7
133.10139	30.3
135.08005	4.2
135.11690	25.9
137.09622	6.1
139.11195	3.0
141.07054	3.6
142.07785	3.6
143.08592	13.1
145.10147	26.9
147.08038	3.9
147.11681	21.1
149.09610	6.5
149.13240	20.9
155.08565	6.9
156.09296	2.5
157.10162	14.1
159.11710	63.9
161.09644	5.4
161.13248	16.8
163.11165	3.1
163.14850	5.5
165.12816	3.9
169.10164	11.9
171.11699	8.3
173.13290	17.3
175.11127	3.4
175.14827	21.3
177.09138	11.4
177.12733	7.5
177.16380	16.4
183.11734	11.6
185.13257	11.8
186.14078	3.0
187.14740	7.9
189.09148	3.3
189.12753	4.0
191.14311	11.1
197.13205	11.9
199.14896	5.2
201.12772	3.0
201.16365	14.4
203.10626	3.3
205.15933	4.9
211.14832	11.2
215.14345	4.8
225.16368	9.7
227.18048	2.6
229.12279	9.4
229.15878	5.3
239.17952	6.1
241.19453	4.1
243.13823	4.3
257.22650	7.0
259.13416	4.0
267.21109	25.7
272.59851	2.5
277.32626	2.5
285.18478	8.8
285.22116	47.8
303.15860	7.8
303.19727	4.7
303.23203	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	303.2321
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03941	4.1
55.01869	2.2
55.05516	21.6
56.21384	1.3
57.03442	2.2
57.07063	3.3
62.48970	1.3
63.50685	1.1
65.03935	2.5
65.49342	1.1
65.75205	1.1
67.05508	51.7
68.45238	1.1
69.03424	4.3
69.07079	14.5
69.57513	7.1
71.04996	27.5
74.07159	1.6
77.03916	2.1
77.18868	1.4
79.05497	41.6
81.07060	100.0
83.04974	5.8
83.08619	10.0
85.06531	3.9
90.44073	1.4
91.04905	2.1
91.05482	40.8
93.07050	93.4
95.04968	11.2
95.08614	79.8
97.06553	11.4
97.10173	5.3
99.08096	2.1
105.04539	1.3
105.07037	64.1
107.04969	1.9
107.08600	56.3
109.06533	8.5
109.10163	32.6
110.36646	1.2
111.08092	5.8
113.09628	1.8
115.05470	1.4
117.07022	14.0
119.06129	1.6
119.08588	50.3
121.06522	9.2
121.10148	32.1
122.70545	1.4
123.08067	11.1
123.11716	18.2
125.09650	4.9
125.55165	1.2
127.11198	54.0
128.06252	3.0
129.07016	9.7
131.08580	31.6
133.09125	2.3
133.10139	43.1
135.08069	4.9
135.11696	40.5
137.09604	4.6
137.13258	1.5
139.11111	2.1
141.06981	1.9
142.07767	2.5
143.08580	17.9
144.09340	2.8
145.10126	32.8
147.08075	2.5
147.11700	37.5
149.09671	7.3
149.13275	14.1
151.11191	7.5
153.09058	2.1
155.08606	7.2
156.09346	1.8
157.10147	19.6
159.08037	1.9
159.11711	38.2
159.13042	2.0
161.09618	4.3
161.13272	29.7
163.11249	6.4
163.14809	13.7
165.12804	4.3
165.16434	1.7
169.10156	8.9
170.10910	1.2
171.11687	18.9
173.09662	3.1
173.11952	1.7
173.13281	16.1
175.11186	4.4
175.14836	16.3
177.09142	6.7
177.12708	4.6
177.16373	1.5
179.14290	1.8
181.12192	1.4
183.11742	8.6
185.13280	15.1
187.11241	1.8
187.14804	12.4
189.09105	2.2
189.12817	3.6
189.16382	4.0
191.14317	4.8
193.12282	2.1
193.15981	1.9
197.13231	7.4
199.14844	13.8
201.12794	2.2
201.16360	6.6
203.10625	2.5
203.14282	6.1
203.18062	1.5
207.13866	2.1
211.14828	10.4
213.16425	4.8
215.14403	3.0
215.17972	4.5
217.12274	1.3
217.15929	4.7
225.16391	8.3
227.17957	38.9
229.12212	4.7
229.15932	3.6
229.19537	6.3
239.17950	4.7
241.12411	2.0
241.19447	2.8
242.24797	1.3
243.13853	3.6
243.17415	1.4
245.14615	3.0
245.19046	17.8
255.21118	5.5
257.18933	2.0
257.22678	9.0
259.13196	3.3
267.21097	29.5
273.22174	4.7
275.23715	1.5
285.18799	2.1
285.22131	50.4
303.15872	3.9
303.19778	5.1
303.23190	99.8
304.23425	1.5
304.28720	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.232
Annotation	4-Hydroxyretinol
Peak:m/z	Relative Intensity
53.03938	4.2
55.01871	4.6
55.05504	17.0
57.03448	6.5
65.03928	4.5
67.05505	46.1
69.03436	7.2
69.07066	14.8
69.36675	25.0
71.04997	33.3
79.05490	38.9
81.07060	100.0
83.04995	7.0
83.08624	12.7
85.06549	4.7
91.05488	38.3
93.07047	72.3
94.07426	3.6
95.04982	15.6
95.08612	83.5
97.06552	10.3
97.10195	3.7
99.08101	13.4
105.07040	67.7
107.04966	13.4
107.08603	55.1
109.06524	11.8
109.10152	35.3
111.08089	9.2
115.05457	3.7
117.06998	15.2
119.08587	50.9
121.06494	29.5
121.10139	40.1
123.08073	13.8
123.11708	9.5
125.09653	6.6
127.11193	59.4
128.60410	3.0
129.07008	12.7
131.08583	31.3
133.10144	35.9
135.08081	8.5
135.11708	38.8
135.94902	3.0
137.09601	5.9
142.07796	8.9
143.08583	23.4
145.06560	3.7
145.10132	28.0
147.08069	16.1
147.11713	33.0
149.09641	10.8
149.13268	13.4
151.11186	8.7
152.15109	3.0
155.08595	6.4
156.09346	5.0
157.10144	17.4
159.08092	5.4
159.11678	39.0
161.09697	3.9
161.13327	21.7
163.11172	7.6
163.14871	8.6
165.12747	4.3
169.10133	10.7
171.11641	20.2
173.09648	8.6
173.13292	13.9
175.07500	3.4
175.11171	5.9
175.14830	19.3
177.09169	7.7
177.12703	4.7
183.11697	8.7
185.13261	19.9
187.11148	7.3
187.14833	9.3
189.09143	10.1
189.12790	5.4
189.16322	4.1
191.10741	3.9
191.14360	6.0
197.13319	12.4
199.11169	3.8
199.14919	11.3
201.09090	4.8
201.16429	5.9
203.10612	5.7
203.14272	5.0
211.14923	12.5
213.09143	6.3
213.12801	6.3
213.16299	3.3
215.10878	4.9
215.14348	9.9
215.17960	6.5
217.15862	3.3
225.16406	7.5
227.18019	22.3
229.12405	5.6
229.15869	5.4
229.19586	7.5
231.53604	3.2
239.18008	11.4
241.12296	7.4
243.13799	38.3
245.18935	7.7
255.21016	4.1
257.19073	24.7
257.22626	10.9
259.13336	28.9
267.21075	25.8
273.22095	5.3
285.14926	12.7
285.18896	5.7
285.22116	42.9
303.15918	51.4
303.19556	81.3
303.23227	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.7
63.55906	0.7
67.05502	2.6
69.62256	4.2
69.62676	1.2
71.04996	48.4
76.01257	0.8
81.07059	1.4
98.09457	0.8
107.08604	1.3
109.10163	5.2
121.06509	9.3
127.11198	100.0
128.11539	1.1
132.63954	0.8
145.06517	0.7
149.09641	1.9
159.08037	1.2
165.26750	0.8
173.09596	1.8
177.09108	11.3
177.10489	1.0
189.09163	3.4
190.13512	0.7
201.12761	1.2
203.10683	4.3
217.12321	1.8
229.12169	6.5
243.13832	1.3
257.22794	0.9
285.18509	4.8
303.15884	0.8
303.19586	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	303.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	6.1
63.20704	1.6
65.03928	7.6
67.05513	13.8
69.03424	2.6
69.07073	13.1
69.63686	7.1
71.04997	13.8
79.05500	13.3
81.03456	1.9
81.07076	24.6
82.30804	2.0
83.04988	7.8
83.08608	3.1
84.55487	1.7
85.06527	4.1
86.09694	1.8
91.05491	14.8
92.05003	4.5
93.07053	34.8
95.04990	12.9
95.08620	30.1
97.06550	21.6
98.20802	1.7
99.04474	5.0
103.05460	3.0
105.07046	21.9
107.04999	3.7
107.08607	17.9
109.06509	9.6
109.10143	9.3
111.08084	7.3
111.08809	1.6
112.60232	1.7
115.05395	2.2
117.07059	3.5
119.04951	2.9
119.08596	14.9
120.04435	2.0
120.08133	12.4
121.06521	16.4
121.10162	9.4
123.08043	3.7
123.11698	6.8
125.06007	11.0
125.09654	2.7
127.11217	13.7
129.06973	4.0
131.08572	8.5
133.06512	3.9
133.10159	14.8
135.08078	8.2
135.11699	4.7
137.05966	6.0
138.05521	27.9
138.09128	13.4
139.07571	12.1
141.05502	2.9
141.06871	2.2
142.07779	3.0
143.07048	4.6
143.08578	4.6
145.10130	7.6
147.08078	4.2
147.11696	27.6
148.04002	1.9
149.09628	4.0
149.13231	4.6
151.07579	2.7
151.11139	3.0
153.06960	2.6
153.09180	2.5
155.08569	2.4
157.08609	7.6
157.10095	9.4
159.06551	3.1
159.08018	2.6
159.11710	4.6
161.06030	2.9
161.09592	2.3
161.13280	9.4
163.07571	2.8
165.07019	4.3
165.12762	7.6
166.03741	3.4
166.05028	44.9
168.05658	2.3
169.10136	2.7
169.12296	2.9
171.10330	2.1
171.11711	6.2
173.09602	3.8
173.13339	2.5
173.93027	1.6
175.11206	17.8
175.14919	3.0
177.09079	3.0
181.06543	2.2
183.08060	3.1
184.11394	2.0
185.13225	2.6
187.14771	2.2
189.09132	5.0
189.12747	11.9
193.12256	12.3
197.13301	2.3
198.09184	2.1
199.11241	8.8
199.14836	2.8
200.39195	2.0
201.16492	2.3
203.10811	2.7
207.10150	2.7
207.13803	6.5
211.07495	4.1
211.13350	4.3
211.15028	1.9
212.10674	6.3
214.12314	4.4
217.12270	28.6
225.14833	6.6
227.18030	2.8
230.11569	2.2
232.13335	2.8
235.13321	20.6
239.11801	3.4
240.10248	2.7
242.11755	4.5
243.11452	3.2
243.15860	3.9
249.14868	6.1
253.14366	10.8
256.08466	5.2
257.09659	1.5
257.10471	1.6
257.12936	14.4
259.13321	6.9
260.12750	2.9
267.11108	2.8
267.15964	5.7
267.21057	2.5
271.09732	5.6
272.11612	13.3
274.09460	9.0
275.13879	6.6
285.12357	27.1
285.17068	2.6
285.22125	5.2
303.13354	100.0
303.15845	7.3
303.19440	4.1
303.22830	11.5
307.10611	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
55.05516	0.4
61.49248	0.3
67.05508	0.9
70.75050	0.7
71.05002	6.8
75.96190	0.3
79.05497	2.1
81.07058	0.6
83.08655	0.4
83.21220	0.3
93.07036	0.6
94.94324	0.3
95.04981	1.8
95.08621	0.6
97.06543	0.5
100.78360	0.3
105.04521	0.5
105.07008	0.7
105.97470	0.3
107.04968	100.0
108.05286	0.9
109.10156	1.3
119.08587	0.5
121.06557	1.7
121.07261	0.4
123.04438	0.6
123.08046	0.3
126.71542	0.3
127.11206	15.1
131.08559	0.4
135.04561	0.3
140.04720	2.4
149.02298	0.7
149.09621	0.5
155.07074	4.7
157.18260	0.3
164.04712	2.3
167.03374	0.7
173.13495	0.3
177.09123	1.6
179.07057	3.8
182.05722	0.3
188.56148	0.3
189.09111	0.7
197.08116	40.8
199.69206	0.4
201.12674	0.3
201.73041	0.3
203.10585	0.5
214.96954	0.3
229.12233	1.2
234.71664	0.3
243.13849	0.5
261.07608	0.8
271.77127	0.3
285.18448	0.3
303.12228	4.0
303.15894	1.5
303.19403	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29913	0.5
52.60361	0.5
53.03926	0.5
53.94815	0.4
55.01848	0.6
55.05500	0.9
65.03937	1.0
67.05469	1.9
69.03400	0.8
69.07056	0.6
71.51138	0.8
79.05461	1.9
81.03363	0.5
81.07076	2.6
81.07465	0.5
81.63748	0.5
83.04977	0.9
91.05471	1.4
92.04972	1.2
93.07012	1.6
94.06541	1.9
95.04948	0.8
95.08577	2.0
97.06501	1.5
105.07001	1.5
107.08585	0.9
109.06469	0.6
109.10144	0.9
119.04950	0.5
119.08549	1.0
120.04427	1.7
121.06453	0.8
121.10081	0.7
122.06024	3.3
123.08045	0.9
124.07605	1.2
129.06982	1.0
131.08569	0.9
133.10175	0.9
135.07930	0.6
136.07559	1.2
137.05948	1.7
138.09126	2.5
141.06969	0.9
143.08542	1.1
145.10123	0.9
148.03903	0.7
149.09532	0.6
156.08015	0.6
157.10156	0.7
161.13246	0.7
163.03908	0.9
164.07040	1.3
165.07040	0.9
167.03426	0.7
168.07979	0.6
171.09198	0.9
171.10443	0.8
172.07600	0.6
172.09940	0.7
173.07138	2.5
173.10797	0.7
173.13295	0.6
184.11208	1.9
186.11511	1.9
186.12938	1.0
187.08618	1.5
189.10249	0.9
197.08394	1.4
198.09142	0.7
199.08644	1.2
200.09442	1.7
201.10204	1.9
201.13870	8.1
202.12175	0.7
211.07523	0.8
212.10756	5.5
213.06551	1.4
213.10277	1.4
214.10912	2.1
214.12347	2.2
215.11813	0.9
227.08145	2.3
227.11856	0.7
228.08911	2.4
229.09686	2.6
229.13379	38.9
230.13750	0.8
239.11783	0.9
240.10193	2.3
241.09685	1.5
242.10484	2.8
243.11305	0.7
255.11189	1.1
256.12161	0.6
257.12866	100.0
258.13345	1.2
259.14386	3.3
275.13882	1.0
285.12323	11.0
285.21994	0.8
303.04996	1.7
303.13382	24.3
303.23251	1.7
318.13052	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1227
Annotation	11,12-Dehydromatricarin
Peak:m/z	Relative Intensity
53.03932	2.9
53.59200	0.8
55.01876	8.6
55.05502	1.0
57.03431	1.6
59.69167	0.8
65.03943	1.0
67.01868	1.4
67.05491	3.7
68.99788	2.3
69.03425	3.0
69.07069	1.2
69.46182	5.4
71.01366	5.8
71.04994	2.1
72.78530	0.8
78.04704	1.0
79.05486	3.7
81.03424	7.2
81.07068	4.4
83.04978	2.7
85.02917	4.1
88.55238	0.9
91.05480	7.3
93.07046	3.2
95.04958	3.9
95.08613	3.9
97.02895	100.0
97.06525	2.6
99.04466	6.4
102.04634	1.0
103.05462	2.7
104.06252	1.0
105.03401	1.8
105.07041	7.3
107.04958	2.9
107.08582	3.2
109.06552	1.0
109.10136	1.9
111.04446	28.0
115.05454	8.7
116.06220	2.8
117.07035	6.4
118.04163	2.7
119.04923	1.5
119.08597	3.1
121.06491	3.1
121.10154	1.8
123.04411	1.5
123.08083	1.6
127.11179	1.0
128.06219	7.0
129.07018	5.1
130.04149	1.5
130.07787	2.1
131.02274	0.8
131.04906	4.9
131.08578	3.1
132.05728	2.9
133.06508	16.8
133.10165	2.5
134.03596	0.9
135.04396	2.6
135.08064	1.2
137.05971	3.1
137.62546	0.8
140.06239	0.8
141.06958	6.5
142.07782	2.6
143.04961	2.5
143.08562	3.1
144.05710	8.4
145.06483	8.7
145.10100	2.5
146.03607	1.4
146.07278	1.0
147.04431	6.3
147.08041	8.0
149.05978	2.1
151.07581	1.9
152.06197	1.3
153.05602	1.0
153.06996	6.1
154.07777	3.2
155.04860	1.2
155.06024	1.7
155.08566	3.0
156.05730	4.4
157.06487	4.6
157.10135	1.3
158.07292	7.8
159.04425	4.2
159.08057	8.0
159.11703	1.5
160.05252	3.3
160.08865	1.0
161.06004	8.0
161.09560	1.0
162.06737	1.4
163.03973	1.8
163.07567	1.9
165.06989	7.5
166.07800	1.6
167.04971	1.0
167.07054	15.4
167.08580	3.5
168.05746	2.3
168.09315	0.8
169.06552	4.4
170.07303	3.3
171.04428	2.1
171.08055	7.8
172.05222	3.9
172.08855	2.2
173.05981	14.5
173.09647	5.5
174.06792	5.0
175.03951	2.0
175.07536	13.3
176.04678	1.9
176.08337	3.0
177.05499	5.8
177.09190	1.3
178.06210	2.2
178.07745	1.6
179.07004	2.2
179.08525	1.3
181.06465	4.9
181.08594	2.4
182.07272	8.2
183.04456	1.5
183.08037	5.2
184.05206	3.3
185.05984	7.9
185.09625	1.3
185.13231	0.9
186.06818	4.5
187.03896	2.8
187.07539	16.2
187.11182	0.9
188.04668	2.1
188.08308	3.9
189.05453	11.3
189.09088	5.8
190.06306	7.5
190.09883	1.9
191.07043	12.5
192.05902	1.3
192.07806	3.2
193.06694	1.6
193.08633	10.3
194.07314	1.6
195.08049	3.3
196.05185	1.2
196.08894	2.4
197.06036	3.8
197.09604	6.2
198.06735	3.6
198.08636	1.1
199.03810	0.9
199.07539	11.5
199.14955	1.1
200.08296	7.0
201.05429	5.0
201.09111	22.8
202.06277	3.4
202.09956	1.1
203.03365	2.2
203.07004	6.2
203.10753	2.3
204.04092	0.9
204.07822	14.9
205.08614	19.5
206.09399	1.9
207.10173	8.8
209.05975	1.4
210.06799	5.4
211.07544	11.1
212.08357	2.3
213.05510	3.6
213.09081	3.4
214.06293	3.1
214.09872	4.2
215.03458	2.5
215.07040	6.0
215.10498	4.4
216.07835	2.9
217.05225	1.1
217.08606	17.7
218.05888	2.0
218.09404	10.2
219.06749	4.5
219.10190	8.4
220.07330	1.1
221.08102	1.9
224.08337	2.2
225.05585	1.5
225.09113	13.7
226.09909	2.8
227.07033	8.5
227.10780	1.0
228.07808	6.9
229.05058	2.6
229.08594	5.8
230.09346	6.4
231.06503	2.6
231.10164	32.9
232.10898	2.0
233.08162	1.6
233.11720	17.4
234.08783	1.2
238.06268	2.6
239.06966	2.5
241.04712	1.2
241.08626	3.4
242.09480	6.3
243.06480	1.9
243.10033	7.9
244.07265	4.0
244.10915	1.5
245.08080	2.5
245.11732	18.9
246.08948	1.2
247.06033	2.9
247.13324	1.9
253.08627	10.0
254.09438	4.2
255.06549	1.5
256.07428	2.0
257.08057	3.5
257.11719	11.2
259.09631	13.2
260.10419	2.5
261.11319	2.3
262.08316	12.2
270.08865	3.0
271.09543	4.1
272.10480	3.0
275.12808	7.4
285.11179	23.3
285.22015	1.9
288.10010	4.6
303.12302	64.1
303.15768	5.0
303.23242	3.3
304.12848	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18204	4.2
64.87363	4.1
70.06576	6.1
71.50033	5.0
82.95317	3.4
84.08144	3.7
94.50064	4.0
94.93025	15.2
96.92848	6.0
112.89595	18.6
114.89342	100.0
167.78119	3.6
202.89091	6.9
206.77678	4.2
226.97290	10.0
284.83759	6.0
303.08447	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92429	4.9
56.96569	41.4
69.03407	9.1
69.75742	25.3
70.06602	13.0
72.08159	7.0
83.06110	6.9
84.08137	15.0
85.01402	5.4
85.02892	13.2
86.09700	6.8
91.05492	7.7
95.08604	8.3
98.20782	6.8
98.97598	100.0
101.00879	15.9
102.74845	5.9
103.02404	5.2
105.07030	10.4
110.07185	60.8
110.97554	6.0
112.07641	6.3
115.02372	7.2
116.98615	16.1
118.90583	5.1
119.01938	12.8
128.98636	5.9
129.09062	5.6
129.10136	8.6
130.08664	7.4
131.01938	15.0
133.03468	8.0
134.99661	7.0
143.01915	9.5
149.02878	6.0
155.00133	8.4
155.01976	7.7
156.03386	6.1
157.03531	9.0
158.06635	6.8
158.99692	40.6
159.06764	12.6
161.02948	8.4
167.02049	6.2
173.03043	6.2
174.04362	7.9
175.04552	5.8
177.00731	24.1
177.49626	6.4
185.02985	6.2
185.09148	5.6
186.04524	7.1
186.99095	7.8
187.04565	18.8
189.02519	7.1
189.04187	5.9
189.07813	15.1
201.02580	6.5
205.05634	8.2
213.07864	12.6
215.09363	18.2
219.01717	14.0
244.37819	5.4
261.10028	12.8
285.04648	9.7
303.08505	28.0
303.23184	13.7
321.08517	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	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03945	0.2
55.01872	0.4
55.05521	0.2
65.03926	0.7
67.01852	0.3
67.05489	0.5
68.99794	2.2
69.03407	0.3
70.81056	0.3
70.81380	0.2
79.05480	0.3
81.03419	0.8
81.07050	0.2
83.04953	0.2
84.59045	0.1
87.60080	0.1
91.05469	0.4
93.03390	0.6
95.04982	0.9
97.02895	0.2
105.03396	0.3
107.04982	0.2
109.02905	0.9
110.03683	0.2
111.00814	1.7
115.05424	0.2
117.07028	0.5
121.02876	2.2
122.05987	0.4
123.04422	0.8
127.03910	0.5
131.04958	0.4
133.02853	0.2
135.04419	0.6
136.07570	0.7
137.02353	7.3
137.03412	0.5
137.05945	0.3
143.04922	0.2
145.02805	0.4
145.06482	0.7
147.04416	0.2
148.22926	0.1
149.02359	0.8
153.01839	10.4
155.04932	1.1
155.06033	0.3
159.04405	0.4
161.05995	0.8
163.03918	1.6
164.07027	0.2
165.01839	3.7
166.02634	0.6
173.06009	1.3
177.05492	0.2
179.03392	0.5
183.02908	1.4
183.04437	0.8
185.05977	0.2
187.03909	1.2
191.03435	0.3
193.01411	0.2
195.02858	0.5
201.03595	0.2
201.05472	4.6
205.04910	0.3
211.03899	0.4
213.05515	0.3
219.06519	0.5
226.08492	0.2
228.04184	0.6
229.04976	9.5
229.12991	0.2
230.05222	0.2
232.03650	0.2
239.03413	0.5
243.11304	0.6
243.13716	0.2
247.06053	1.2
257.04422	4.9
257.12872	0.6
274.04727	1.4
275.05551	0.5
285.03946	3.0
285.12399	0.8
303.05002	100.0
304.05359	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.1
55.01878	0.3
65.03945	0.7
67.01863	0.5
67.05508	0.6
68.99438	0.2
68.99795	2.6
69.03436	0.3
69.47968	0.4
69.48376	0.3
79.05494	0.2
81.03419	0.8
81.07056	0.3
82.48013	0.1
83.04984	0.1
85.06533	0.1
91.05472	0.4
91.69473	0.1
92.36918	0.1
93.03417	0.7
93.07047	0.3
95.04969	1.0
95.08621	0.1
97.02892	0.1
100.79135	0.1
103.05472	0.2
105.03392	0.4
105.07037	0.2
107.04960	0.2
108.63362	0.1
109.02885	1.2
109.06548	0.1
111.00807	1.8
111.04417	0.2
115.05435	0.3
117.07019	0.4
117.92803	0.1
119.04929	0.1
121.02871	2.4
121.66227	0.1
122.06031	0.3
123.04445	0.9
127.03934	0.4
128.06183	0.2
129.07011	0.2
131.04921	0.6
133.02876	0.3
133.06497	0.2
133.76031	0.1
135.04440	0.5
136.07581	1.2
137.02350	8.3
137.03395	0.4
137.05975	0.3
139.05452	0.1
143.04936	0.1
145.02872	0.2
145.06473	0.7
147.04414	0.1
149.02351	1.1
149.06004	0.2
153.01837	11.3
155.04929	1.4
155.06085	0.2
156.08180	0.1
157.06512	0.3
159.04404	0.5
161.05988	0.6
163.03917	1.4
163.07497	0.1
164.07054	0.5
165.01852	4.3
166.02702	0.6
170.09703	0.1
171.03044	0.1
173.02324	0.2
173.05997	1.6
177.01924	0.2
177.05525	0.2
179.03416	0.4
182.08177	0.2
183.02895	1.5
183.04457	1.1
183.08006	0.2
187.03958	1.0
187.12376	0.2
189.05444	0.1
191.03453	0.3
191.07021	0.2
194.02150	0.2
195.02872	0.5
198.09149	0.4
200.04715	0.2
201.05476	4.7
201.13943	0.2
205.04996	0.6
207.02856	0.3
211.03983	0.4
212.10661	0.2
213.05486	0.3
215.03456	0.3
215.11821	0.5
219.02960	0.2
219.06577	0.6
226.08553	0.3
228.04195	0.7
229.04971	10.3
229.13452	0.9
230.05339	0.2
231.02892	0.1
232.03717	0.2
233.04498	0.2
239.03436	0.5
243.11343	1.3
245.04382	0.2
246.05208	0.2
247.06056	1.6
257.04462	5.7
257.12875	2.1
258.05087	0.1
259.14682	0.1
261.04059	0.2
274.04773	1.5
275.05478	0.4
285.03946	2.7
285.07086	0.2
285.12360	1.6
286.04382	0.1
303.05002	100.0
304.05322	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	7.3
58.28646	1.0
59.61512	1.0
63.17362	0.9
69.03424	1.7
69.84333	3.5
69.84751	2.0
71.95239	1.2
74.36098	0.9
81.03413	1.5
85.02876	2.2
97.02907	1.8
98.21461	1.4
98.97592	17.6
101.00881	5.3
107.87546	0.9
115.05020	0.9
115.77815	0.9
116.98632	7.9
119.01921	10.4
131.01921	1.5
134.99725	2.5
136.99078	3.5
140.36061	1.0
140.98851	1.3
142.03535	1.5
143.01935	1.0
155.00194	1.8
158.99922	5.4
170.02551	1.0
173.01236	1.3
177.00948	19.0
182.99918	1.6
185.45288	1.0
194.98451	1.1
196.91167	0.9
200.98357	1.0
201.00908	5.6
202.93558	1.1
210.99037	0.9
214.91959	1.2
214.95473	1.4
217.04073	2.2
217.85849	0.9
219.02014	51.0
220.94533	1.7
221.01797	3.7
223.01559	1.3
225.01039	2.6
232.93071	1.5
238.95586	17.3
240.98830	1.1
242.03627	1.0
243.02002	11.5
244.02072	1.3
256.93378	3.0
256.96649	47.5
257.96802	2.8
259.00015	2.4
261.03082	100.0
261.97174	6.2
262.03162	4.5
264.95557	1.2
267.45871	1.4
272.94757	1.8
274.94171	5.0
274.97705	7.9
277.01108	1.7
279.00229	1.1
279.95270	2.0
279.98236	24.7
284.04636	1.2
288.95572	2.6
292.95255	2.3
297.96042	1.2
297.99258	2.3
298.97614	5.3
300.00027	1.2
303.01233	2.0
309.96063	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23820	1.2
53.03936	1.4
57.03427	3.4
61.02945	2.4
63.12162	1.5
65.03946	2.6
67.05511	41.2
69.03426	14.4
69.07082	8.8
70.23009	4.7
71.05027	1.6
73.02913	2.1
81.03429	6.0
85.02916	38.9
95.04977	56.1
97.02898	38.8
99.04415	1.4
103.03925	5.3
109.02888	8.0
112.07613	34.9
113.06001	5.7
122.06017	2.2
123.04402	1.5
123.60438	1.1
124.07639	2.8
127.03924	8.1
132.67513	1.2
136.07603	1.9
140.07074	100.0
145.04962	2.1
151.44553	1.1
152.07094	1.8
154.08632	8.6
178.08629	4.4
182.08147	69.0
206.08104	17.2
218.08231	1.5
236.09181	2.7
248.09221	8.5
302.12573	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	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.3
57.03426	2.9
61.02920	2.5
65.03940	2.3
65.06824	1.2
67.05507	34.9
69.03147	1.2
69.03439	14.5
69.07079	6.9
70.55307	1.8
70.55643	1.8
71.02258	1.1
73.02936	1.7
73.17484	1.3
77.82477	1.1
79.05500	1.3
81.03420	5.6
84.08171	2.5
85.02910	40.1
94.06561	1.4
95.04977	56.1
96.05309	1.2
97.02300	2.1
97.02900	36.4
97.18894	1.1
103.03949	4.1
109.02869	7.7
112.07612	37.0
113.06035	4.1
119.52784	1.1
122.05984	1.8
124.07631	2.1
127.03940	8.3
136.07620	3.0
139.84433	1.1
140.07074	100.0
145.04976	3.1
154.08650	8.6
164.07065	2.3
171.86720	1.1
178.08636	4.2
182.08141	63.3
206.08128	12.5
218.08194	1.9
228.79881	1.2
236.09137	1.7
248.09180	10.4
284.11383	1.6
302.12479	1.9
303.43076	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2164
Annotation	Angustanoic acid A
Peak:m/z	Relative Intensity
50.62632	2.1
53.03938	2.9
55.05503	5.4
55.25178	1.9
67.05496	16.9
69.07056	6.8
70.24317	7.0
79.04864	2.0
79.05486	12.8
81.07054	31.1
83.08613	4.0
91.05483	22.0
91.96457	1.8
92.02584	2.6
93.07052	25.1
95.08071	2.2
95.08616	30.3
97.10136	2.4
105.07038	45.2
107.08601	47.4
109.10161	39.7
117.07005	8.1
119.04929	9.1
119.08584	87.8
120.02068	6.8
121.10141	19.5
123.11707	7.3
125.09647	4.6
128.06216	1.9
129.07019	2.4
131.08556	20.0
133.10139	28.4
135.11682	7.1
143.08568	7.7
145.10132	51.3
147.04420	19.8
147.11694	38.8
148.01532	3.2
149.13251	4.6
151.11150	3.4
157.10133	11.5
159.08099	2.7
159.11714	28.7
161.13257	17.4
166.02597	8.2
171.11681	5.3
173.13255	13.7
175.14876	5.3
179.10654	8.6
181.04964	44.8
184.03694	3.6
185.13275	9.1
187.14761	3.9
189.09129	4.0
193.12234	8.1
199.14848	21.3
201.16466	2.4
205.12242	5.3
213.16400	7.8
215.10695	6.7
219.10178	2.3
219.13811	2.3
221.15335	4.1
227.14520	2.7
227.17957	17.0
243.13699	2.3
245.15399	3.3
255.21098	90.0
259.16833	2.2
265.19443	3.0
273.18503	4.9
283.17621	2.1
283.20465	10.2
286.04779	4.8
301.07269	4.0
301.10727	23.6
301.18384	3.8
301.21613	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73449	0.5
55.05495	2.2
55.28687	0.4
59.95226	0.4
65.03930	0.6
67.05505	6.0
68.99785	1.1
69.03429	1.1
69.07047	2.2
69.77317	1.7
69.77731	1.1
71.04977	0.7
79.05496	5.3
81.07059	11.1
83.00419	0.5
83.04958	1.5
83.08609	1.2
84.02079	0.6
91.05485	6.6
93.06489	0.7
93.07049	10.3
95.04924	0.9
95.08611	8.8
96.68292	0.5
97.06516	1.3
97.10111	0.8
99.00790	1.3
105.07034	10.5
107.04957	0.6
107.08592	6.0
109.06499	1.9
109.10168	3.0
111.08073	1.3
112.01578	1.6
117.06998	2.6
119.04930	1.6
119.08602	6.0
121.02869	4.3
121.06496	1.6
121.10130	3.1
123.08050	1.6
125.09614	1.4
127.00309	1.6
128.06223	0.5
129.06995	2.5
131.08591	5.2
133.10141	4.5
135.08018	1.2
135.11678	1.7
137.09657	0.8
140.01051	2.0
141.06999	1.2
142.07767	0.9
143.08591	3.8
145.10150	6.1
147.08037	1.1
147.11687	3.5
149.09619	1.9
149.13223	1.1
155.08598	2.4
157.10164	3.0
159.08118	1.0
159.11691	4.3
161.09621	1.1
161.13213	2.7
163.11179	0.9
165.06995	0.5
167.08517	0.9
168.00551	25.8
168.09251	0.5
169.01288	0.6
169.10118	1.3
171.11696	2.5
173.09592	1.0
173.13348	2.8
175.11209	0.9
175.14778	2.3
177.09151	0.5
177.12778	0.9
181.10162	1.2
183.11682	1.2
184.05161	0.9
185.09625	0.6
185.13242	2.0
186.01605	6.0
187.07487	0.6
187.11122	1.5
187.14795	1.4
189.09119	1.7
189.12723	0.8
191.14319	0.9
195.11684	0.8
197.13272	1.7
199.14812	2.3
201.12700	0.7
203.10690	1.7
207.13731	0.7
209.13341	1.5
213.16386	0.8
215.14297	1.2
223.14862	0.9
225.16347	2.1
227.10762	0.6
227.14278	1.2
227.17952	1.2
229.05011	1.1
229.12254	1.0
241.12193	0.7
243.13823	7.4
243.17500	1.2
245.15385	0.7
255.06534	0.8
255.17180	0.8
255.21097	2.1
258.05228	6.3
265.19550	2.6
283.16940	2.2
283.20578	6.0
285.03976	1.6
286.04730	100.0
287.05124	2.9
301.07080	99.5
301.18036	2.2
301.21545	15.6
302.07346	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	301.2162
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03937	6.4
55.01863	3.3
55.05270	1.5
55.05512	14.5
57.03422	1.8
57.07079	1.4
59.04978	2.5
65.03939	3.9
67.05507	43.6
69.03428	3.9
69.07076	14.5
70.18983	5.5
71.04992	3.0
77.03903	3.1
79.05023	2.5
79.05492	49.0
81.07057	63.3
83.04992	9.0
83.08622	4.1
84.29677	1.4
85.06538	3.5
91.04903	2.8
91.05481	65.7
93.07044	88.5
95.04971	8.0
95.08610	58.3
95.09100	1.2
97.06521	13.3
98.20727	1.5
99.08037	1.3
103.05499	2.5
105.04509	2.4
105.07030	63.1
107.04958	2.3
107.08594	38.8
109.06530	10.9
109.10159	21.2
111.08076	5.6
115.05466	3.1
117.07023	27.9
119.08582	41.6
121.06480	5.3
121.10152	26.8
123.08076	9.1
123.11702	4.1
125.06002	2.2
125.09620	4.4
128.06213	4.5
129.07011	22.2
130.07793	2.8
131.08571	43.3
133.06505	2.1
133.10133	36.8
135.08031	5.9
135.11703	12.0
137.09598	6.8
141.06985	9.4
142.07806	6.6
143.08571	25.2
144.09341	2.8
145.10129	37.0
147.08032	4.8
147.11696	25.2
149.09599	7.7
149.13255	6.5
151.11176	3.7
155.08572	12.1
156.09283	2.2
157.10136	26.9
158.10762	1.9
159.08072	2.7
159.11697	35.0
161.09624	4.8
161.13248	16.9
163.11182	5.5
163.14804	4.5
165.12755	1.4
167.08571	4.8
168.09348	3.8
169.10138	16.1
170.10899	1.5
171.11705	18.1
173.09660	1.6
173.13284	22.3
175.11172	5.7
175.14816	6.6
177.12724	5.9
179.08543	1.9
179.10539	1.6
181.10222	7.8
182.10916	2.8
183.11708	14.9
184.12462	1.7
185.13208	16.5
187.11179	3.2
187.14856	7.3
189.12709	4.6
191.14334	4.7
193.10220	2.0
195.11719	8.8
197.13284	16.3
199.11237	1.9
199.14781	11.6
201.12808	4.0
201.16409	3.0
203.14253	3.4
209.13229	8.1
211.14830	5.3
213.12729	3.4
213.16389	5.5
215.14265	8.7
215.17964	2.0
217.15894	2.0
223.14777	7.4
225.16367	26.4
227.14264	3.5
227.17938	6.0
229.15883	3.3
237.16376	5.1
239.17963	4.5
241.15895	2.6
243.13786	3.5
243.17432	13.1
245.15469	2.5
251.07028	1.5
253.19524	3.7
255.17378	3.4
255.21109	18.0
265.19519	21.8
271.20593	4.6
273.22034	3.7
283.20557	43.9
284.20999	1.8
301.21616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
52.62196	1.8
55.05507	2.3
67.05508	16.0
69.07092	5.0
70.68288	6.2
73.71401	2.0
79.05508	10.3
81.07059	25.3
91.05488	16.7
93.07056	17.4
95.08611	25.9
105.07043	42.1
107.08604	43.1
109.10155	35.9
117.07030	6.4
119.08590	64.7
121.10156	18.4
123.11665	5.7
131.08578	16.8
133.10138	22.2
135.11703	5.1
140.89101	2.4
143.08589	11.0
145.10129	35.2
147.11688	28.6
149.13252	8.3
151.11229	5.1
157.10124	9.7
159.11693	22.4
161.13239	19.8
171.11700	10.3
173.13300	12.8
175.14856	5.1
179.10675	7.6
182.62883	2.3
185.13293	7.3
191.10754	3.0
193.12285	7.3
199.14806	23.7
205.12311	4.5
213.16360	9.8
221.15396	2.6
225.16283	2.5
227.17967	10.1
245.15298	5.1
255.21106	100.0
256.21555	2.7
283.20605	8.4
301.21640	87.0
302.22055	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	301.2163
Annotation	Angustanoic acid A
Peak:m/z	Relative Intensity
53.03937	5.3
54.27505	1.5
55.05519	12.3
57.03437	2.3
57.07079	2.4
61.33327	1.9
67.05178	2.8
67.05509	35.6
69.03425	3.5
69.07076	12.5
69.36369	10.5
71.04974	3.3
79.05055	3.3
79.05497	29.8
79.97501	1.7
80.08662	1.8
81.03465	1.6
81.07063	51.7
83.04984	8.2
83.08614	6.9
85.06580	1.6
87.73031	1.8
91.05482	38.5
92.24171	1.9
93.07052	56.4
95.04960	4.6
95.08614	43.2
97.02911	2.7
97.06555	10.0
99.08122	2.1
105.07038	67.4
107.04951	2.9
107.08601	35.0
109.06522	7.8
109.09484	2.0
109.10171	27.3
111.08100	5.0
115.05451	2.3
117.07032	20.1
119.04967	2.0
119.08593	37.5
121.06533	5.2
121.10136	26.4
123.08073	7.1
123.11728	5.6
128.06204	4.2
129.06194	2.2
129.06944	10.8
131.08569	46.9
133.10150	30.9
135.08069	6.1
135.11681	9.9
137.09586	5.2
137.13167	2.3
141.06987	6.9
142.07745	3.5
143.08575	19.5
145.10129	26.4
147.07973	2.5
147.11690	27.0
149.09624	4.8
149.13261	10.3
151.11234	2.3
153.06981	2.9
155.08534	6.9
157.10150	29.9
159.08034	2.3
159.11708	36.7
161.09665	3.9
161.13271	16.7
163.11169	6.1
163.14809	2.6
165.06998	2.4
167.08580	3.0
168.09409	2.8
169.10146	11.0
171.11694	16.2
173.09615	3.0
173.13275	19.3
174.10410	1.7
175.11145	4.0
175.14848	4.1
176.14072	2.1
177.12732	3.3
181.10112	5.6
183.11746	6.8
185.09625	2.0
185.13260	14.3
187.11157	3.2
187.14825	17.1
189.12756	3.8
191.14330	2.8
195.11661	6.4
197.13248	7.9
199.14845	16.2
201.12779	2.2
201.16431	2.6
207.13814	3.2
209.13208	6.2
211.14857	5.7
213.12798	2.3
213.16359	7.6
215.14323	3.8
219.13890	2.4
223.14857	6.0
225.16394	11.9
227.14474	3.0
227.17986	15.9
237.16362	4.1
241.15984	2.6
243.17499	5.0
245.04329	2.6
245.15395	2.7
253.19508	2.5
255.21121	54.3
265.19492	12.2
273.18469	2.5
283.20605	39.2
286.04694	4.2
300.95590	2.1
301.07098	4.7
301.10828	9.7
301.21637	100.0
302.11417	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2163
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
55.05502	2.4
67.05222	1.9
67.05509	19.4
68.81246	2.2
69.07051	6.8
70.25482	7.2
79.05480	9.6
81.07060	30.1
83.08593	2.8
91.05485	17.1
93.07053	21.2
93.75970	2.0
95.08613	32.3
105.07040	50.0
107.08596	49.7
109.10165	37.7
117.07037	7.3
119.08590	100.0
121.10163	18.8
123.11694	6.3
129.07013	3.3
131.08578	23.0
133.10130	30.3
135.11676	7.3
143.08560	10.5
145.09055	3.7
145.10135	49.8
147.11702	31.3
149.13309	5.5
151.11264	3.0
155.08470	2.4
157.10146	10.3
159.11713	28.1
161.13272	19.1
169.10117	2.3
171.11739	9.4
173.13292	15.1
175.14796	6.8
179.10739	10.8
185.13268	7.7
191.10777	2.5
193.12260	6.4
199.14810	19.8
205.12262	5.8
207.13829	4.9
213.16414	8.7
221.15443	3.0
227.17984	17.6
245.15471	4.9
255.21101	97.5
273.18445	3.4
283.20566	9.0
301.21640	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	301.2164
Annotation	Angustanoic acid A
Peak:m/z	Relative Intensity
55.05505	4.9
65.15028	1.5
67.05508	13.0
69.07059	6.5
70.22740	6.3
70.79843	1.3
79.05489	10.8
81.07056	35.0
91.05484	13.3
93.07044	25.4
95.08612	30.1
97.10156	3.2
105.07035	65.6
107.08604	22.3
109.10152	22.3
117.07015	5.4
119.08588	30.9
121.10134	12.3
123.11695	5.0
125.53062	1.4
128.06303	1.6
129.07028	2.4
131.01518	1.7
131.08592	14.9
133.10139	19.4
135.11682	4.4
139.11195	1.5
141.09119	1.4
143.08585	18.3
144.09317	2.0
145.10133	23.1
147.11699	20.9
149.13290	3.5
157.10123	11.9
159.11694	22.1
161.13260	25.2
163.14807	4.8
169.10187	2.0
171.11691	6.2
173.13271	17.0
175.14844	9.6
179.10661	2.3
183.11716	2.3
185.13287	5.7
187.14781	2.5
193.12308	2.8
199.14844	31.5
205.12256	3.9
207.13795	5.7
213.16357	8.8
219.13748	2.1
221.15395	3.4
227.17914	7.4
245.15410	11.1
255.21104	100.0
265.19519	2.0
273.18417	1.6
283.20590	16.1
301.21637	76.2
302.22101	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	301.2163
Annotation	Angustanoic acid A
Peak:m/z	Relative Intensity
53.03933	1.3
55.05499	2.3
63.94786	0.8
67.05238	0.7
67.05507	8.4
69.07053	4.1
69.29121	5.6
69.29523	2.4
79.05495	8.3
81.07062	29.2
83.08610	2.5
91.05479	15.3
93.07052	18.0
95.08609	23.1
95.81516	0.9
97.10173	2.0
99.08073	2.7
100.55561	0.9
105.07031	47.6
107.08600	18.1
109.10166	13.5
115.45148	0.8
117.07014	3.3
119.08581	24.3
121.10140	9.6
123.11685	3.7
129.06979	3.3
129.07831	0.9
131.08562	14.6
133.10127	13.0
134.59438	1.0
135.11694	5.2
142.07771	1.1
143.08556	10.2
145.10121	24.5
147.11681	17.9
149.13271	3.4
157.10132	12.1
158.10985	1.1
159.11682	21.9
161.09612	1.2
161.13255	14.4
163.14832	2.2
171.11711	5.4
173.13268	18.5
175.14877	5.9
181.04988	1.4
185.13228	5.6
187.14763	1.5
193.12247	2.9
199.13013	1.2
199.14812	23.6
205.12265	3.2
207.13779	3.6
209.13115	0.9
213.16408	8.6
219.13846	3.3
221.06857	1.1
221.15381	1.6
223.14909	0.9
225.16364	1.6
227.17949	11.1
233.14903	0.9
238.16624	1.1
243.13997	1.0
245.15407	2.2
255.21086	100.0
256.21365	2.0
259.16876	2.8
265.19519	2.4
273.18390	4.2
273.21335	1.2
283.20621	10.3
301.21616	72.4
302.21960	1.3
302.30618	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	301.2163
Annotation	Angustanoic acid A
Peak:m/z	Relative Intensity
55.05508	4.3
67.05511	15.6
69.07051	6.6
69.12556	2.0
70.52718	5.6
70.60715	1.9
79.05488	12.6
80.09045	1.7
81.06655	2.2
81.07062	26.2
83.08617	4.7
91.05498	22.7
93.07053	19.2
95.08072	2.2
95.08619	28.9
105.07040	47.2
106.03658	1.7
107.04938	5.2
107.08604	49.9
109.10165	39.2
110.79688	1.9
117.07037	8.6
119.04961	12.0
119.08592	98.9
120.02103	11.5
121.10160	19.3
123.11692	7.3
129.06981	2.3
131.08556	16.4
133.10141	29.1
135.11676	6.3
142.07826	2.1
143.08582	9.3
145.10138	48.4
147.04439	22.9
147.11705	31.9
148.01553	7.0
149.13239	6.2
151.11162	4.8
157.10139	8.5
159.11711	26.0
161.13260	15.4
166.02617	9.9
171.11700	7.3
173.13243	13.5
175.14774	6.8
176.27431	1.7
179.10626	9.4
181.04974	67.1
184.03748	3.2
185.13264	8.7
191.10741	2.8
193.12241	6.4
199.14839	24.2
205.12320	4.7
207.13899	2.7
209.37793	2.2
213.16396	8.8
215.10667	2.9
219.13838	2.1
227.17953	15.0
243.13823	2.9
245.15350	5.0
255.21109	93.9
256.21457	2.4
265.19528	2.4
273.18625	2.2
277.52594	2.2
283.16592	2.3
283.20538	12.0
283.25153	2.2
286.04736	2.3
301.07446	2.9
301.10712	37.4
301.18201	4.8
301.21619	100.0
302.62955	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	301.2164
Annotation	Angustanoic acid A
Peak:m/z	Relative Intensity
52.02264	2.4
55.05508	12.2
57.07083	2.5
65.03932	2.9
67.05496	22.5
69.07075	15.6
69.81778	5.7
69.82173	11.9
79.05502	31.0
81.06601	4.4
81.07064	88.1
83.08628	5.4
91.05497	32.1
92.02606	3.9
93.06496	4.1
93.07047	50.5
95.04964	3.2
95.08615	41.7
97.06543	3.2
97.10157	5.1
98.21422	3.6
105.07038	56.5
107.08604	37.7
109.06512	4.1
109.10187	18.5
115.33801	2.5
117.07005	10.0
119.04966	17.2
119.08591	30.3
120.02082	10.7
121.06493	4.4
121.10152	20.4
123.04402	3.4
123.11719	8.9
125.05959	2.7
129.07019	4.1
131.08588	19.5
133.10141	20.4
135.08040	10.4
135.11713	13.0
138.03012	3.3
139.07539	7.2
142.07823	3.8
143.08554	14.8
145.10133	25.4
147.04437	29.0
147.07921	3.4
147.11694	16.0
148.01515	6.0
149.13284	5.9
151.07639	2.8
155.08510	2.6
157.10161	14.3
159.11732	29.9
161.13257	40.0
163.14822	15.6
166.02669	15.5
169.10094	2.8
171.11685	8.9
173.09680	3.7
173.13284	13.4
175.14850	7.8
177.09134	5.9
181.04979	67.0
184.03641	3.0
185.13255	13.8
187.11218	4.7
187.14754	11.6
189.09082	4.7
191.10757	5.5
199.11331	2.4
199.14836	24.5
213.12589	2.8
213.16374	7.3
215.10745	4.5
215.14215	3.1
215.17889	3.3
217.15941	3.3
219.13823	3.5
223.84969	2.2
227.14241	4.8
227.18001	7.1
233.15381	4.3
243.13802	8.2
245.15382	10.0
255.21103	72.9
257.22635	5.1
265.19489	8.7
273.22076	4.3
275.10379	2.8
283.17285	4.6
283.20560	25.1
286.04715	4.9
301.07053	8.0
301.10709	37.4
301.18143	7.4
301.21625	100.0
302.22308	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	301.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03171	0.3
55.01874	0.3
55.05504	0.9
57.43641	0.3
58.88431	0.3
65.03944	2.1
67.05518	2.4
68.99792	0.4
69.07069	1.1
70.29871	0.9
70.30212	0.3
76.84117	0.3
78.76350	0.3
79.05479	1.5
81.07063	5.3
82.04179	0.4
83.08614	0.5
91.05486	10.9
92.02627	5.1
93.03436	0.5
93.07051	4.4
95.01250	0.4
95.04988	0.6
95.08614	5.4
97.06541	0.5
97.10162	0.4
103.05456	0.3
105.07043	10.8
107.01328	0.4
107.08597	3.8
109.10147	3.3
117.07023	0.9
119.04951	20.3
119.08588	5.9
119.09377	0.5
120.02093	17.4
121.02884	1.0
121.10145	2.6
123.04415	0.7
123.11701	1.0
125.05965	0.4
129.07004	0.4
131.08592	2.3
133.10149	3.5
135.11682	0.6
137.02325	2.1
138.03137	3.3
143.08578	3.0
144.09381	0.4
145.10127	4.1
147.04420	40.9
147.11688	4.6
148.01564	9.7
148.04749	0.8
149.13277	0.6
151.03915	0.6
153.01830	0.8
153.05508	0.9
157.10124	1.6
158.11008	0.3
159.11705	3.6
161.09668	0.3
161.13254	4.0
163.14857	0.5
166.02629	16.7
167.03297	0.5
169.10132	0.3
171.11667	1.1
171.66341	0.3
173.13264	2.8
175.14835	1.8
181.04967	100.0
182.05318	1.4
183.11803	0.4
184.03674	4.6
185.13268	1.2
187.14789	0.3
193.12234	0.6
197.05945	0.7
199.14856	4.8
205.12186	0.3
207.13812	1.0
213.16406	1.0
219.10295	0.3
221.15314	0.4
225.05446	0.5
225.16342	0.5
227.17955	1.4
240.07866	0.6
243.13686	0.6
245.15370	1.5
255.10152	1.7
255.21095	15.8
256.21442	0.4
259.09906	0.3
265.19470	0.6
269.08011	1.8
270.25259	0.3
271.05963	0.3
283.09674	0.9
283.17572	0.4
283.20496	2.4
286.08383	1.0
301.10715	61.8
301.21622	12.0
302.11081	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2164
Annotation	Angustanoic acid A
Peak:m/z	Relative Intensity
53.03930	2.3
53.17603	2.9
55.05494	8.3
55.55378	2.3
60.73203	2.6
67.05510	15.6
69.07053	5.3
70.03111	10.6
73.43499	2.3
74.90311	2.2
79.05499	19.6
81.06598	5.6
81.07064	100.0
83.08627	3.2
83.47277	2.3
91.05489	18.3
91.18482	2.6
93.07056	29.1
95.04967	4.9
95.08620	35.0
97.06546	6.2
97.10195	3.5
105.07039	95.5
107.08611	20.7
109.06475	3.0
109.10158	16.5
117.07031	5.8
119.08583	38.9
121.10164	15.4
123.08080	4.4
123.11703	4.1
129.07043	4.0
131.08559	16.7
133.10107	19.2
135.11684	5.4
143.08601	14.4
145.10164	30.3
147.04399	4.9
147.11713	16.2
149.09683	4.0
149.13301	2.6
155.08548	2.8
157.10127	13.5
159.11707	34.2
161.13269	34.9
163.11264	2.4
171.11711	9.8
173.13254	17.2
175.14842	12.2
181.04965	9.1
185.13232	7.0
187.14870	6.9
189.12711	2.9
193.12242	3.9
197.13246	3.6
199.14818	31.9
201.12747	3.7
205.12241	6.1
207.13896	5.1
213.16460	4.3
217.15858	3.4
219.13716	3.6
221.15352	7.3
227.14336	3.2
227.17897	15.3
243.13815	3.6
243.17342	3.6
255.21104	76.2
265.19510	7.3
273.18494	3.4
283.17194	3.5
283.20651	17.2
301.10669	3.5
301.18396	3.1
301.21609	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	301.2165
Annotation	Angustanoic acid A
Peak:m/z	Relative Intensity
53.03936	2.2
55.05499	8.4
55.34468	1.9
57.03442	3.2
65.03957	2.4
67.05516	19.8
69.03444	4.6
69.07057	7.2
70.04288	7.0
76.74043	2.0
79.05492	15.9
81.07065	36.0
82.40760	1.9
83.08624	5.2
91.05478	22.7
93.07053	23.3
95.08608	35.5
97.06564	3.3
98.79370	2.2
103.05497	2.1
105.07042	49.5
107.04938	2.0
107.08606	53.4
109.06561	2.5
109.10162	44.1
117.07004	7.8
119.08590	85.9
121.06522	3.5
121.10162	18.3
123.11710	3.4
125.09622	6.8
128.06268	3.0
129.07013	6.5
131.08571	23.5
133.10150	34.9
135.08044	3.3
135.11667	9.8
143.08606	14.5
145.10135	47.6
147.11707	36.1
149.13220	5.6
151.11201	5.1
155.08562	3.7
156.09328	2.6
157.10129	15.1
159.08075	4.8
159.11710	27.6
161.12170	2.3
161.13290	20.4
168.00522	10.2
169.10213	2.9
171.11687	8.0
173.09639	4.8
173.13293	17.9
175.14793	8.2
177.09180	2.4
179.10654	9.0
181.05042	3.0
185.13358	10.4
186.01645	3.3
187.11118	3.4
187.14761	3.4
189.09137	10.6
191.10703	3.0
193.12221	6.6
197.13318	2.9
199.14822	28.7
201.09265	2.7
203.10681	8.1
205.12103	5.2
207.13800	2.5
213.09056	2.2
213.12776	2.2
213.16368	10.3
214.09857	4.6
215.10612	4.5
215.14380	3.5
219.13762	3.2
221.15378	3.3
225.16316	2.7
227.10654	5.0
227.17970	14.1
229.12184	5.3
241.12250	4.2
243.13821	48.0
245.15378	6.4
255.21104	97.1
265.19421	4.0
273.18567	5.0
283.16904	13.8
283.20239	15.5
286.04736	45.8
301.07132	36.2
301.17978	14.6
301.21597	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2164
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.01853	4.5
55.05515	20.9
57.84883	2.5
63.89271	2.8
65.03924	5.1
67.05191	3.1
67.05511	43.5
68.73042	2.4
69.03430	7.5
69.07078	18.5
69.22865	2.8
70.08080	5.9
70.08471	6.1
71.04992	3.2
73.07349	2.5
79.05501	41.4
81.03380	3.7
81.07063	58.1
83.04968	11.6
83.08601	4.4
85.06529	4.1
91.05489	67.1
93.07050	71.7
95.04947	8.9
95.08615	57.8
97.06541	13.7
103.05469	3.1
105.07041	63.5
107.08605	43.6
109.06513	12.8
109.10174	21.7
111.08099	4.9
115.05480	4.9
117.07033	29.4
119.04930	10.5
119.08594	50.8
120.02076	8.2
121.06473	6.2
121.10158	24.9
123.08089	6.7
123.11688	7.5
125.05991	4.2
125.09657	7.1
127.45831	2.6
128.06241	6.5
129.07019	19.3
130.07724	5.1
131.08592	45.9
133.06522	6.3
133.10153	39.3
135.08066	8.1
135.11691	12.3
137.09605	7.6
141.06975	5.4
142.07759	5.9
143.08577	26.7
145.10136	38.5
146.34869	3.0
147.04404	20.1
147.07988	6.3
147.11720	21.2
148.01515	4.0
149.09636	5.0
149.13235	8.8
151.07646	2.8
153.06996	5.8
153.66768	2.8
155.08575	13.6
157.10149	24.3
158.10773	3.5
159.08057	5.5
159.11691	43.2
161.09630	7.7
161.13263	16.9
163.11172	5.8
163.14795	2.9
165.06976	4.4
166.02611	8.7
166.07802	3.1
167.08507	6.3
168.00546	5.1
169.10143	11.2
171.11693	19.6
173.09644	4.0
173.13280	24.2
175.11153	4.4
175.14819	6.9
177.12791	6.7
179.10840	3.0
181.05003	53.3
181.06491	7.6
181.10127	7.5
183.11687	9.7
185.09605	8.0
185.13191	14.8
187.11163	5.1
187.14807	10.8
189.09134	7.3
189.12746	9.0
191.10709	3.5
191.14261	5.5
195.11755	6.1
197.13260	19.1
198.06619	3.6
199.11211	4.8
199.14806	19.8
201.12709	5.0
203.14235	3.8
209.13226	12.5
210.06938	2.7
211.14720	3.7
213.12654	3.3
213.16365	9.8
215.10780	2.6
215.14275	11.9
223.14807	7.8
225.16296	8.9
227.14290	8.0
227.17999	6.2
239.17763	4.0
241.08591	4.6
241.15836	4.5
241.19568	4.3
243.13779	12.4
243.17474	5.4
255.11102	8.9
255.21104	27.3
265.19470	12.9
283.17178	5.0
283.20517	36.4
286.04752	15.9
301.07022	37.8
301.10715	52.3
301.14203	7.5
301.18002	8.2
301.21585	100.0
301.25076	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	301.2163
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
50.56248	1.7
55.05498	6.2
55.35241	2.0
66.06396	2.3
67.05505	15.9
69.07060	5.7
69.30853	16.5
79.05498	11.0
79.49006	1.9
81.06654	2.7
81.07069	30.4
83.08615	4.9
89.82914	2.3
91.05477	15.6
93.07050	20.0
95.08614	28.5
97.10139	3.3
105.06319	2.4
105.07034	46.8
107.07881	3.1
107.08598	42.2
109.10165	36.7
117.07027	3.7
119.08592	89.1
121.10151	17.2
123.11692	5.0
125.09586	2.7
129.07042	3.2
131.08571	19.2
133.10132	30.4
135.11732	5.6
143.08548	7.9
145.09055	3.6
145.10138	44.9
147.11696	33.4
149.13239	7.7
151.11162	4.7
157.10088	10.4
159.11713	23.6
161.13274	19.4
170.39569	1.8
171.11679	8.4
173.13278	13.5
175.14838	5.5
179.10663	10.4
185.13239	7.0
193.12311	8.5
199.14854	22.9
205.12309	3.2
207.13905	2.6
210.01497	2.2
213.16353	7.8
221.15541	3.5
227.18002	14.6
245.15288	4.6
255.21103	100.0
256.21368	2.4
273.18564	5.2
283.20660	11.8
301.21634	96.0
301.25089	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	301.2163
Annotation	Angustanoic acid A
Peak:m/z	Relative Intensity
51.02373	2.2
53.03939	2.9
55.01874	3.9
55.05492	9.1
65.03940	3.2
67.05508	28.5
69.03424	3.4
69.07057	11.9
71.04984	2.6
71.31310	3.2
79.05499	19.4
81.03368	3.3
81.06592	3.1
81.07059	49.4
83.04970	5.1
83.08620	5.7
85.06539	4.5
86.09715	3.3
91.05479	35.1
92.05805	2.8
93.07042	39.1
95.04967	8.3
95.08611	41.1
97.06528	8.2
105.07043	50.9
107.08606	43.8
107.27419	2.2
109.06528	5.1
109.10160	43.6
111.08092	3.6
115.05408	3.6
117.07001	10.9
119.04935	2.9
119.08587	87.7
121.06498	7.9
121.10136	24.5
123.08056	3.6
123.11710	13.8
128.06166	5.1
129.07011	7.5
131.08577	26.2
133.10144	33.0
135.08022	2.7
135.11703	12.7
139.07521	3.6
141.06892	2.4
142.07744	4.2
143.08551	17.6
145.09058	4.9
145.10121	51.9
147.11685	38.6
148.07555	3.8
149.13255	5.2
151.11180	5.7
152.06252	4.2
153.06995	11.4
155.08522	3.5
156.09280	4.3
157.10133	21.4
159.08014	3.7
159.11699	30.0
161.09662	3.4
161.13272	19.1
165.07037	11.3
167.08627	4.2
168.05708	2.9
169.06483	5.6
169.10115	3.6
169.12215	2.7
170.07243	3.7
171.11691	10.0
173.09679	3.7
173.13258	21.8
175.11166	3.6
175.14771	6.4
179.10667	8.1
180.05659	2.7
181.06473	15.3
182.07260	3.8
183.08032	5.0
183.11674	5.2
185.09715	3.8
185.13269	11.8
187.07550	4.2
187.14775	2.6
193.12253	3.6
195.08051	5.0
196.05165	2.8
197.06032	3.7
197.13237	3.1
198.06712	9.6
199.07617	2.9
199.14836	25.6
205.12186	5.6
207.13802	2.9
208.05209	3.1
209.05962	3.6
211.07542	3.0
211.14610	2.3
213.09131	7.3
213.16344	9.7
216.11531	2.4
223.07582	3.3
224.68056	2.4
225.05362	3.1
225.16476	3.4
226.06259	9.7
227.06863	3.8
227.11794	4.7
227.18085	12.3
241.08627	9.2
241.15788	2.7
243.06586	4.0
245.15462	7.4
255.11388	19.6
255.21092	88.7
265.19449	2.9
269.08087	3.3
273.22260	3.2
283.10495	4.0
283.17856	2.4
283.20560	17.2
286.04636	6.3
301.03668	4.2
301.07053	10.6
301.10727	58.6
301.14322	3.3
301.18140	7.0
301.21600	100.0
301.25058	4.8
302.11456	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	301.1072
Annotation	Heliannone A
Peak:m/z	Relative Intensity
54.09652	0.4
57.43625	0.4
65.03934	1.4
67.05494	1.4
68.99805	0.6
69.07074	0.4
71.19803	0.8
71.20145	0.7
79.05468	1.2
81.07079	1.9
83.04976	0.5
91.05489	10.0
92.02625	5.9
93.07034	0.7
93.21502	0.4
95.01333	0.4
95.04961	0.4
95.08583	1.4
97.06533	0.7
99.00816	0.7
105.07021	1.8
107.08585	1.7
109.10149	0.9
112.01539	0.8
119.04949	19.7
119.08571	1.4
120.02093	18.6
120.05698	0.7
121.02925	2.3
121.10110	0.5
123.04458	0.6
125.05968	0.5
125.09591	0.6
127.00344	0.7
131.08583	0.7
133.10100	0.6
137.02327	1.9
138.03120	3.4
140.01027	0.4
145.10112	1.1
147.04416	38.7
147.11655	1.0
148.01552	10.0
149.02370	0.6
151.03984	0.6
153.01819	1.1
153.05438	0.8
157.09969	0.6
159.11737	1.0
161.13246	0.5
166.02629	16.8
167.03435	0.7
168.00554	8.8
173.09544	0.4
178.15666	0.4
181.04964	100.0
182.05316	0.9
184.03690	5.5
186.01627	1.9
189.09033	0.9
197.06030	0.9
198.06712	0.5
199.07536	0.4
199.14778	0.6
201.16281	0.4
209.05887	0.5
217.12331	0.4
224.08319	0.5
225.05438	0.6
225.77922	0.4
226.06250	0.4
229.12097	0.6
240.07922	0.5
243.13791	3.5
254.05832	0.4
255.10199	1.5
255.21065	1.5
258.05176	0.9
268.04782	0.5
269.08157	2.5
271.06039	0.4
283.09708	0.7
283.17020	0.8
283.20450	1.0
285.03967	0.4
286.04739	36.6
286.08047	1.2
287.05035	0.9
290.57318	0.4
301.07077	33.0
301.10727	53.8
301.17929	1.8
301.21606	2.1
302.10950	0.6
323.35602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1799
Annotation	19-Oxoandrost-4-ene-3,17-dione
Peak:m/z	Relative Intensity
53.03975	0.6
55.01871	0.7
55.05513	4.5
57.03445	4.4
57.07080	0.8
60.03346	0.6
65.03934	0.9
67.05508	4.5
69.03435	11.4
69.07053	2.3
70.57861	0.5
71.04981	1.2
71.09920	1.2
71.17020	0.5
79.05507	3.5
81.07058	9.3
83.04994	1.2
83.08643	0.8
83.15177	0.5
85.06518	1.3
91.05486	4.0
93.07053	4.7
95.04948	0.8
95.08607	5.2
97.06563	0.6
97.10184	1.3
105.07037	11.0
107.04995	0.9
107.08603	8.7
109.06499	0.8
109.10161	6.7
111.08092	0.7
115.05507	0.6
117.07023	1.6
119.04929	1.8
119.08592	7.4
120.02076	0.8
121.06538	4.4
121.10140	2.6
121.39837	0.5
123.11721	0.7
125.09638	9.3
128.06227	1.5
129.07001	1.5
131.04916	0.8
131.08563	4.5
133.10135	4.3
135.08043	0.6
135.11722	0.8
142.07773	1.5
143.08551	3.4
145.06470	1.5
145.10139	8.4
146.07274	1.1
147.04376	2.7
147.08055	1.9
147.11700	4.1
149.09563	0.9
149.13268	1.2
153.07013	0.9
155.08582	2.1
156.09456	0.6
157.06535	0.6
157.10204	2.7
158.07281	1.6
159.08057	5.1
159.11682	4.7
160.08839	1.5
161.06023	1.8
161.09637	1.2
161.13266	2.2
163.11185	0.8
167.08565	0.8
168.00566	2.6
168.25055	0.6
169.10114	1.6
171.08043	2.3
171.11719	2.0
172.08873	3.1
173.09645	9.8
173.13274	1.8
174.06805	1.2
174.10385	1.0
175.07501	1.2
175.11186	1.1
175.14873	0.7
176.08339	0.5
177.09088	2.0
177.12810	0.7
179.10689	1.0
180.09358	0.8
181.04985	3.0
181.06383	0.6
181.10190	0.9
182.07214	0.6
184.08791	1.3
185.09627	4.5
185.13298	1.6
186.01617	0.8
186.10419	2.5
187.11201	6.0
189.09114	23.2
191.10612	0.7
193.10321	0.6
193.12257	1.0
195.08025	1.0
195.11693	1.6
197.09669	1.4
197.13264	1.3
198.10408	1.5
199.07556	2.8
199.11157	2.2
199.14838	3.4
200.12035	0.7
201.09102	2.7
201.12733	1.7
203.06953	0.7
203.10689	18.8
203.12605	1.0
207.13753	1.0
209.13326	1.2
211.07584	0.7
211.11209	1.6
212.08382	1.1
212.11942	0.8
213.09149	4.8
213.12737	4.0
213.16466	1.5
214.09946	4.6
214.13484	0.7
215.10739	5.9
215.14304	8.8
217.12296	4.9
219.10165	2.1
223.11205	0.9
225.09126	1.9
225.12726	1.9
226.09866	1.6
227.10678	9.5
227.14299	1.1
227.17958	0.8
228.11435	7.3
229.12231	11.9
231.13869	1.0
233.08139	0.5
239.10696	2.3
240.11443	1.7
241.12259	10.9
243.13828	100.0
244.14091	1.2
245.11783	2.0
253.12256	3.3
254.12988	2.0
255.13737	1.0
255.17407	1.1
255.21109	14.4
257.15457	3.5
265.15884	1.4
268.14667	3.6
271.16910	2.5
283.16968	27.5
283.20432	2.3
284.17340	0.6
286.04730	10.8
301.07056	9.7
301.10645	2.4
301.14490	1.8
301.17993	30.2
301.21613	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	301.1073
Annotation	4'-Hydroxy-5,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
51.52069	0.5
55.05513	1.2
56.83301	0.6
57.03433	1.1
65.03938	1.5
67.05512	5.4
69.07060	1.9
70.22002	2.6
71.04996	0.7
79.05505	3.1
81.07062	6.9
89.38623	0.6
91.05490	14.3
92.02642	5.8
93.07045	6.4
95.01331	0.7
95.04978	1.5
95.08615	5.2
95.65707	0.7
97.06505	1.3
97.10197	0.8
103.05422	0.7
105.07035	8.3
107.08597	6.4
109.10165	6.0
111.04467	0.7
112.07703	0.6
117.07030	2.1
119.04960	20.0
119.08578	10.3
120.02087	16.9
121.02880	1.3
121.10148	4.4
123.11691	0.8
125.05948	0.6
129.07030	1.4
131.08559	4.7
133.10138	4.1
135.11729	1.7
137.02330	2.0
137.09645	1.3
138.03154	3.3
143.08582	2.6
145.10141	6.6
147.04420	39.3
147.11649	4.7
148.01579	9.1
148.04759	0.7
149.13283	1.4
153.01797	1.2
155.08572	0.7
157.10123	3.1
159.08080	1.5
159.11710	4.3
161.09660	0.9
161.13293	2.8
163.11147	1.2
166.02620	16.0
168.00510	1.4
169.10057	1.1
171.11699	2.2
173.09656	2.3
173.13274	2.0
175.11156	0.9
179.10646	0.7
181.04971	100.0
182.05260	0.7
183.11691	0.8
184.03670	5.7
185.13303	1.6
187.11183	2.2
187.14825	1.2
193.12231	0.8
197.05977	1.0
197.13197	0.9
199.14896	3.8
201.08987	0.8
201.16359	1.0
203.10643	1.2
205.12283	0.8
214.09843	0.8
215.10721	4.7
215.14261	1.9
217.15878	1.3
225.05417	0.7
227.17891	1.2
239.18066	0.8
240.07758	1.1
243.11328	1.0
243.13821	19.3
243.17578	1.0
245.15547	0.7
255.10144	2.4
255.21088	13.4
265.19467	1.0
269.07993	1.0
273.22067	0.9
283.16916	5.5
283.20551	3.4
286.04749	4.5
286.07999	1.3
301.07181	3.7
301.10696	56.1
301.17938	7.1
301.21606	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	301.1074
Annotation	4'-Hydroxy-5,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
53.03935	1.1
55.05518	5.5
57.03422	1.6
57.07086	4.1
65.03944	1.4
67.05189	1.1
67.05511	13.6
69.03419	1.8
69.07069	4.3
70.06593	5.0
70.75372	1.9
70.75742	1.6
71.04996	4.0
71.08620	1.6
74.54250	0.7
74.77854	0.8
79.05063	1.3
79.05491	15.3
80.33489	0.8
81.07063	30.6
83.04980	1.6
83.08619	2.8
83.91392	0.9
85.06533	0.8
88.07626	5.8
91.05488	27.6
92.02612	5.4
93.07055	19.9
95.04955	2.1
95.08613	18.7
97.06541	4.6
97.10155	2.6
102.09165	1.6
105.07040	34.4
106.08663	3.2
107.04945	2.1
107.08604	25.8
109.06529	2.0
109.10174	8.8
110.31200	0.8
111.08067	1.2
115.05470	0.9
117.07032	7.7
119.04962	21.1
119.08591	24.2
120.02091	17.1
121.02850	1.8
121.06497	2.5
121.10147	9.8
123.08073	2.0
123.11737	2.2
125.09592	2.4
127.11234	1.0
127.52923	0.8
128.06180	1.2
129.07039	4.3
131.08577	16.5
133.10133	14.2
135.08000	1.0
135.11734	3.9
137.02296	1.6
138.03105	3.3
141.06956	1.8
142.07817	2.3
143.08571	10.1
144.09329	1.7
145.09070	1.4
145.10139	20.2
147.04422	38.8
147.08067	1.4
147.11714	12.4
147.13496	1.0
148.01561	9.3
149.09612	1.7
149.13263	2.1
151.11156	2.4
153.01843	1.0
153.09117	0.9
155.08514	3.3
157.10138	9.7
158.10951	0.9
159.08072	2.3
159.10493	1.0
159.11705	14.3
161.09604	1.4
161.13274	6.9
163.11203	1.2
163.14825	1.4
166.01306	1.2
166.02641	15.1
167.03525	1.0
168.00534	1.8
169.10152	3.9
171.11711	6.2
173.09596	2.5
173.13281	8.1
175.14801	3.8
177.12764	1.0
179.10698	1.2
181.04967	100.0
181.10117	1.8
182.10989	1.0
183.11639	4.1
184.03625	6.1
185.09581	1.2
185.13261	8.3
187.11201	2.3
187.14810	4.7
189.12604	1.3
191.10617	0.9
193.12224	1.8
195.11613	1.0
197.13246	3.0
199.11055	1.0
199.14832	16.7
201.16364	10.0
203.10715	2.0
205.12321	2.2
207.06506	0.9
207.13834	1.7
209.13176	1.4
213.16368	4.0
215.10663	3.0
215.14342	2.7
215.17888	3.0
223.14793	1.4
225.05518	0.9
225.16403	7.7
227.18039	4.7
237.16397	1.2
243.13837	19.0
243.17461	8.9
245.15340	2.6
245.18982	1.1
255.10115	2.7
255.18224	1.5
255.21077	27.4
265.19519	3.9
269.08008	2.5
273.18561	1.8
273.21799	2.0
283.16946	2.7
283.20541	9.2
284.29501	2.8
286.04761	8.0
301.07123	5.9
301.10684	52.6
301.17972	7.1
301.21576	50.1
302.27182	1.9
302.30548	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	301.1074
Annotation	(2R,3S)-3-Hydroxy-5,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
54.16637	1.4
55.05498	4.0
56.69388	1.4
62.74423	1.9
65.03955	1.7
67.05508	18.0
69.07060	5.8
71.51010	2.1
74.03490	1.6
79.05499	8.9
81.07058	25.5
83.08626	4.1
91.05491	15.7
93.07048	19.7
95.08617	26.0
97.06554	1.7
97.10127	1.8
103.53558	1.6
105.07041	47.0
107.04986	2.7
107.07884	3.0
107.08599	41.4
109.10165	36.1
109.11288	1.8
117.06985	5.1
119.04960	3.0
119.08589	87.2
120.02085	4.0
121.10152	18.6
123.11707	5.9
124.68073	1.7
125.09609	2.6
131.08566	18.6
133.10141	26.5
135.08122	1.7
135.11693	7.6
143.08606	8.7
145.10138	47.2
147.04373	7.9
147.11693	34.6
148.01546	2.6
149.13289	4.8
151.11198	4.2
157.10146	11.3
159.11700	22.9
161.13286	14.7
166.02611	2.0
171.11691	7.1
173.13278	12.2
175.14833	5.4
179.10670	9.5
181.04959	19.8
185.13289	7.1
187.14809	3.1
189.09103	1.9
191.10703	2.0
193.12231	8.2
199.14842	22.6
205.12242	4.7
207.13872	3.1
213.16365	7.1
215.10704	3.0
219.13826	2.1
221.15479	2.4
225.16354	1.7
227.17929	18.2
243.13818	1.8
245.15367	5.3
255.21098	94.1
265.19559	2.4
273.18420	5.2
283.20557	12.8
286.04794	2.7
301.07141	4.6
301.10721	13.1
301.18445	3.8
301.21613	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.107
Annotation	4'-Hydroxy-5,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
56.09520	0.4
61.54909	0.4
61.82074	0.4
63.02361	0.4
64.15768	0.3
65.03935	1.4
67.05475	0.6
68.00756	0.4
70.25703	1.3
74.55443	0.4
81.07021	1.0
91.05489	8.1
92.02633	5.8
93.07059	0.7
95.04987	0.5
95.08617	0.9
105.07030	1.9
107.08566	0.5
109.10122	0.6
118.85031	0.4
119.04947	18.7
119.08566	0.9
120.02090	14.5
121.02859	1.1
123.04450	0.4
125.05996	0.5
131.59097	0.4
133.10136	0.6
135.58281	0.4
137.02353	2.3
138.03142	3.0
143.08612	0.5
147.04419	40.7
147.11699	0.4
148.00412	0.7
148.01556	9.2
148.04808	0.4
151.04007	0.6
153.01926	0.9
153.05472	0.6
159.11702	0.9
161.13252	0.8
162.79869	0.4
166.02640	16.5
167.03397	0.4
170.91924	0.5
173.13225	0.8
175.21124	0.4
181.04973	100.0
182.05290	0.7
184.03679	4.3
197.06024	0.9
199.14824	1.1
240.07942	0.7
255.10135	1.6
255.21068	3.2
269.08072	2.0
271.06085	0.5
283.09949	0.6
283.20480	0.4
286.08441	1.0
301.10724	61.0
301.21646	2.5
302.11108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0708
Annotation	Koparin
Peak:m/z	Relative Intensity
53.03929	0.3
55.01864	0.7
55.05510	0.7
64.31931	0.3
65.03924	0.8
66.80768	0.3
67.05492	0.9
68.02639	0.5
69.03433	0.4
69.07058	0.5
79.05480	1.1
81.03419	0.5
81.07066	2.0
89.03931	0.3
91.05476	1.3
93.07050	1.8
95.04965	0.6
95.08614	1.5
96.02132	0.3
97.06518	0.4
103.05460	0.4
105.03397	2.3
105.07034	1.8
106.00533	0.3
107.04939	1.3
107.08581	1.1
108.02053	0.3
109.02879	0.6
109.10143	0.5
111.04415	0.6
111.08025	0.3
117.03394	0.3
117.07034	0.5
119.08582	1.5
121.02876	0.7
121.10123	0.4
123.00771	0.3
123.04460	0.7
124.01572	3.9
128.06215	0.9
129.06966	0.8
131.04895	0.4
131.08569	1.0
133.02812	0.5
133.10123	0.6
134.03644	4.5
135.03444	0.3
135.04398	1.5
135.11739	0.6
137.02390	0.7
139.05457	0.8
141.07001	0.3
143.08543	0.8
145.02856	1.0
145.06493	0.6
145.10110	1.1
147.04446	0.5
147.11661	0.4
149.02406	0.3
151.03903	0.7
151.05031	0.3
151.07567	0.3
152.01048	28.0
153.01840	6.4
153.06870	0.3
155.08548	0.4
156.05717	1.0
157.06488	1.2
157.10149	0.7
159.11720	0.8
161.02362	4.8
161.06033	0.4
161.13246	0.4
163.03926	0.8
165.06979	0.5
167.03424	11.7
167.04898	0.9
168.05704	0.4
169.06509	0.3
169.10187	0.3
170.02101	5.1
171.04369	0.4
173.06021	0.4
173.13290	0.7
174.06746	0.5
181.06493	0.3
183.04538	0.3
184.05182	2.5
185.05945	1.9
185.09526	0.4
185.13339	0.4
189.05461	0.4
195.04393	0.5
197.06056	0.6
199.07536	0.3
199.14865	0.5
201.05377	0.4
202.06238	1.1
203.03380	0.3
212.04680	2.8
213.05447	5.1
215.14423	0.4
216.04196	1.2
217.08556	0.5
223.03935	0.8
227.07141	0.4
227.12694	0.6
229.04869	2.3
230.05733	3.5
231.06557	0.4
240.04181	5.7
241.04956	6.7
241.08649	0.6
242.05745	0.4
245.08105	3.6
255.06526	2.4
255.11349	0.3
255.13774	0.4
255.21100	0.9
256.28152	0.3
257.04526	1.0
258.05228	3.0
265.12433	0.4
265.19727	0.3
268.03708	3.3
269.04422	2.4
273.07568	1.1
273.14761	0.6
283.05963	1.2
283.13321	0.5
283.20425	0.7
285.03955	5.8
286.04724	33.8
287.05133	0.7
301.07077	100.0
301.21487	2.5
302.07388	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94426	7.3
57.28882	6.5
70.39277	14.7
70.39619	8.1
94.93009	24.4
97.08976	7.3
97.59627	6.9
109.99607	7.0
112.89616	100.0
176.93520	9.0
199.66301	8.7
226.97166	16.1
233.43629	7.4
285.18073	8.3
288.53690	8.8
301.14267	12.6
305.17072	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	301.0708
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
55.01884	0.2
61.36666	0.2
66.45534	0.2
68.99802	0.7
70.10032	0.5
70.10421	0.5
70.24059	0.2
71.01368	0.2
84.02139	0.3
92.75331	0.2
99.00823	1.8
105.07029	0.4
112.01582	1.4
119.04943	1.5
119.08562	0.3
120.05737	0.3
121.02876	5.3
127.00304	1.9
140.01018	1.7
147.04469	0.4
154.99802	0.7
160.05209	0.4
168.00548	28.8
169.01172	0.8
183.98436	0.2
184.05219	0.7
186.01620	6.4
201.05574	0.3
202.06253	0.2
212.04846	0.3
213.05394	0.3
215.39465	0.2
240.04175	0.4
255.06328	0.5
257.04575	0.6
258.05255	2.1
285.03891	1.4
286.04730	100.0
287.05170	1.8
301.07077	88.4
302.07407	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03909	1.6
53.84942	1.8
54.81205	1.7
55.01875	2.8
55.05515	14.4
56.05037	7.8
62.24079	1.7
67.05510	22.5
68.05028	3.1
69.03439	3.4
69.07085	10.5
70.06595	21.6
70.66985	5.1
71.04995	6.1
77.93670	1.8
79.05502	22.2
80.05016	11.5
81.03426	32.7
81.07066	28.4
82.06586	15.5
82.07388	1.9
83.05013	12.2
83.08617	14.3
84.08134	3.2
85.02911	6.1
90.05565	29.5
91.05477	17.6
93.07045	19.2
94.06587	8.7
95.04974	8.5
95.08614	11.5
96.08142	5.6
97.02914	2.2
97.06552	3.9
97.10159	4.0
98.06052	4.8
105.07031	15.5
105.94346	1.8
106.06575	2.9
107.08608	10.6
108.08122	4.7
109.10133	4.0
111.08088	6.1
111.12563	1.9
112.07649	2.9
112.48589	1.8
116.07027	2.5
117.07022	2.4
119.08598	11.7
120.57938	1.8
121.10130	9.3
123.08099	3.1
123.11720	2.4
124.02206	2.1
125.09586	2.1
128.07034	1.8
129.07004	6.4
131.08586	9.1
133.10138	11.0
138.12775	6.9
144.06590	5.6
147.11725	8.0
149.09641	9.2
152.07097	2.0
157.10147	8.2
164.14345	6.3
166.12286	2.2
175.11227	8.7
182.15385	4.4
184.13416	6.9
190.16055	2.3
192.13904	6.6
193.12253	39.1
208.16963	5.1
210.14903	100.0
211.13300	60.1
212.16466	7.5
218.15466	5.1
226.18062	7.5
228.15962	64.2
236.16464	15.9
237.82907	2.1
238.14439	12.8
254.17537	42.4
254.19948	2.9
256.15454	32.1
282.12201	3.6
282.17023	12.9
300.13147	10.5
300.18015	40.6
300.21103	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	300.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64634	0.9
55.01857	1.1
56.96566	3.4
57.03441	1.4
57.24068	0.9
58.06611	1.2
61.02943	1.3
61.33528	1.0
69.03431	4.6
69.07078	2.2
69.94869	3.8
70.02951	1.5
70.06596	3.7
70.98131	0.9
71.08661	1.2
72.08166	1.7
73.02924	1.4
74.00661	1.4
77.00996	1.1
77.01540	0.9
77.22794	0.8
81.03394	1.3
82.06581	1.0
83.04999	1.2
84.08165	2.7
85.02918	6.7
86.09704	5.3
88.04015	2.8
91.05483	1.2
97.02902	4.8
97.06554	1.5
98.20815	1.6
98.97588	5.9
100.02470	1.6
100.07543	0.9
101.00882	6.3
104.02473	1.2
104.05005	1.0
109.02901	1.1
110.97580	1.2
112.07657	1.1
113.00858	2.2
115.02482	2.1
116.98626	2.6
118.03516	1.4
118.06592	1.4
119.01936	10.4
120.02081	1.3
120.08115	3.1
121.01071	2.2
121.06535	1.0
127.03917	1.6
130.08624	1.1
131.01941	4.3
131.04823	1.0
133.01108	2.0
133.03481	3.1
134.99765	1.0
135.39499	0.9
136.06200	2.3
137.02950	1.8
137.05995	10.5
138.05513	4.0
138.09181	7.0
142.03490	1.2
143.01924	3.0
143.51929	1.1
144.01981	1.5
145.03468	3.1
146.03694	1.8
146.06049	1.9
149.00581	13.4
150.01387	3.1
150.05501	0.9
150.52118	1.2
155.01958	1.9
155.07068	1.4
156.01973	1.0
157.03432	1.3
158.06644	4.8
161.00549	4.7
161.03017	5.7
161.06003	3.3
162.05466	2.2
163.02220	1.8
164.07042	2.1
173.02962	2.9
175.00981	1.6
176.07735	3.2
177.00862	1.6
177.07849	6.5
178.00870	17.3
181.03268	4.1
183.05002	1.9
185.02913	1.1
186.09753	1.5
188.07736	3.3
189.02446	2.4
191.03987	1.4
193.03210	100.0
200.07729	2.1
202.75360	1.1
203.04102	2.1
204.02730	2.4
206.12704	1.0
214.06187	1.2
217.02090	4.8
219.02017	1.8
221.04820	2.3
232.10382	3.2
235.02950	3.2
238.05630	2.0
239.05913	3.2
242.08763	2.3
245.05128	1.1
245.54550	1.0
250.05385	1.5
253.05228	1.4
256.10367	1.7
258.08310	2.1
259.02872	1.4
270.08081	1.4
274.11307	1.7
277.01041	1.3
277.04092	4.6
282.07999	4.0
300.10034	13.1
300.15140	1.9
300.18951	1.3
318.08856	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	299.2009
Annotation	Abieta-8,11,13,15-tetraen-18-oic acid
Peak:m/z	Relative Intensity
53.03936	1.6
55.05508	4.5
56.16447	0.8
57.07073	1.0
65.03957	0.8
67.05509	9.4
69.07088	6.5
69.90321	3.8
75.78571	1.0
79.05499	9.6
81.07064	15.7
83.08607	1.8
91.05489	15.9
91.74985	0.7
93.07053	25.7
95.04972	2.4
95.08614	16.3
97.06509	1.6
98.20866	1.8
103.05486	1.2
105.07042	23.5
107.04958	1.0
107.07875	1.9
107.08602	29.7
109.06536	1.8
109.10153	8.9
115.07578	1.6
117.07037	7.6
119.07802	1.3
119.08595	15.8
121.06553	1.1
121.10158	12.5
123.11687	1.3
126.25887	0.8
128.06252	2.2
129.07008	7.0
130.07784	1.8
131.08571	22.2
133.10155	10.4
135.11734	1.0
141.06967	3.8
142.07785	2.9
143.08577	12.2
143.60860	0.9
144.09335	1.7
145.10139	28.9
147.11702	11.3
149.13330	1.3
151.11189	1.0
155.08569	25.1
156.09354	3.4
157.10153	13.8
159.11710	25.8
160.56215	0.8
161.13255	4.5
163.11192	1.2
167.08542	1.1
168.09328	1.9
169.10136	17.2
170.10878	1.0
171.11707	13.7
173.09657	1.4
173.13289	11.8
174.81924	0.9
175.11053	1.0
179.10727	0.9
181.10060	1.9
182.10959	4.8
183.11719	13.2
185.13322	5.7
187.11241	1.0
191.10690	3.7
193.12177	2.0
195.11652	2.0
196.12517	1.5
197.13278	41.3
199.14853	4.8
203.10655	2.8
205.12234	5.2
207.11777	1.0
207.13828	1.0
209.13275	1.5
211.14833	17.6
213.16312	1.9
217.12210	2.8
219.13789	5.7
221.13261	2.0
223.14801	2.2
225.12839	1.4
225.16382	7.4
229.12210	1.1
231.13899	1.0
238.16975	1.2
239.14348	3.3
239.17932	1.4
243.13861	8.2
253.19533	76.1
254.20110	2.6
255.06528	2.7
255.20908	1.0
255.47740	0.9
257.15372	3.6
263.17996	2.0
270.05237	1.0
271.16934	2.3
271.20639	1.7
281.19040	7.9
283.06012	2.4
284.06732	2.1
289.13959	0.9
299.09177	8.4
299.12799	2.0
299.20074	100.0
300.20450	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2006
Annotation	Abieta-8,11,13,15-tetraen-18-oic acid
Peak:m/z	Relative Intensity
50.54650	1.2
55.05504	3.0
55.89930	1.2
66.84961	1.3
67.05501	9.1
69.07079	6.3
72.91497	1.2
79.05489	11.1
79.68346	1.4
81.07062	16.7
83.08617	1.8
91.05479	15.0
93.07050	18.4
94.43088	1.4
95.04971	1.7
95.08611	18.4
105.07028	23.5
107.08601	30.3
109.06573	1.7
109.10174	8.8
109.17793	1.2
117.06998	8.0
119.08587	15.5
121.06478	1.8
121.10168	9.7
123.13287	1.2
128.06276	2.6
129.07022	5.1
131.08577	16.5
133.10107	8.5
135.11743	1.3
141.07030	4.2
142.07796	2.0
143.08585	13.2
145.10139	26.9
147.11679	9.0
155.08553	16.2
156.09238	1.6
157.10146	14.9
159.11717	20.1
161.13235	3.7
163.11154	1.9
167.08641	1.4
169.10146	19.7
171.11707	14.7
173.13266	9.5
177.12927	1.4
178.05630	1.3
181.10153	3.3
182.10902	2.8
183.11717	10.0
185.13333	7.2
191.10681	4.8
195.11632	3.0
197.13266	34.5
199.14879	4.2
203.10667	2.8
205.12241	7.4
205.21808	1.4
211.14827	13.9
213.16289	2.7
215.14400	1.7
217.12245	5.0
219.13875	1.7
223.14832	3.4
225.16373	12.5
231.13837	1.7
239.14307	1.4
241.15834	1.6
243.13773	11.4
253.19527	83.5
257.15234	2.5
271.16943	2.5
271.20654	1.8
281.19000	8.4
299.20068	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2006
Annotation	Abieta-8,11,13,15-tetraen-18-oic acid
Peak:m/z	Relative Intensity
53.03913	1.1
54.18018	1.0
55.05497	3.5
65.03956	1.0
67.05506	9.5
69.07075	6.4
69.73423	1.9
69.73833	3.7
78.95742	0.9
79.05154	0.9
79.05501	10.8
81.07058	15.8
83.08606	2.0
87.04456	0.9
91.05482	14.7
93.06485	1.5
93.07044	19.6
95.04981	1.8
95.08607	18.0
105.07034	22.7
107.07877	2.0
107.08595	34.5
109.06503	1.2
109.10156	8.7
117.07021	5.6
119.08588	12.9
121.10140	10.4
129.07043	5.6
130.07780	1.6
131.08559	19.1
133.10129	10.0
135.11742	1.8
141.06982	3.9
142.07733	2.8
143.08569	11.4
145.10129	25.9
147.11697	9.8
152.00681	0.9
155.08560	16.0
156.09293	2.7
157.10143	12.8
158.10925	1.3
159.10469	1.9
159.11694	25.9
161.13266	5.3
168.09270	2.5
169.10129	19.1
171.11687	16.6
173.13269	14.6
177.12691	1.0
181.10150	1.9
182.10905	4.8
183.11725	14.7
185.13231	8.5
187.14746	1.2
189.09056	1.1
191.10687	5.3
193.12201	1.5
195.11739	2.0
196.12474	2.0
197.13272	36.4
198.13974	2.0
199.14828	2.4
201.12645	1.4
203.10699	3.2
205.12250	5.9
209.13144	1.3
211.14838	16.9
213.16324	1.6
217.12234	5.8
219.13828	2.9
221.13268	1.2
223.14780	1.2
225.16347	10.8
229.12299	1.9
231.13887	1.3
235.14932	1.1
243.13823	8.3
253.19516	100.0
254.19955	2.1
257.15332	2.6
267.93814	1.0
271.17007	1.3
271.20596	1.9
281.18927	4.6
299.20062	97.9
300.20477	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2007
Annotation	Abieta-8,11,13,15-tetraen-18-oic acid
Peak:m/z	Relative Intensity
53.03954	2.3
55.05504	9.0
57.03434	1.8
57.07076	3.0
67.05513	10.1
69.03427	9.6
69.07069	5.0
69.60490	5.6
69.60902	7.3
71.04993	4.1
74.44366	1.9
78.93883	1.8
79.05492	10.3
81.07074	12.1
83.04965	5.8
83.08623	7.3
85.06574	2.8
91.05478	22.4
93.07059	12.0
95.04987	27.2
95.08612	11.0
97.06522	4.6
105.07035	31.2
107.04961	2.5
107.08585	22.6
109.06535	13.1
109.10145	7.1
111.08060	3.6
113.09609	2.9
115.05399	2.4
117.07029	12.4
119.08586	67.8
121.06496	6.6
121.10133	7.7
121.38546	2.4
123.08073	4.3
125.09618	4.2
128.06200	8.0
129.06999	8.5
130.07816	4.4
131.08580	15.4
133.10139	13.8
135.08052	15.4
135.11674	4.6
137.09584	5.4
141.06973	3.6
142.07764	6.3
143.08553	23.4
144.09291	2.4
145.10136	60.1
147.07994	4.4
147.11699	4.2
149.09634	3.7
150.92850	2.0
153.06985	2.5
155.08527	12.1
156.09303	5.2
157.10124	23.8
158.07265	9.3
159.08110	3.7
159.11694	18.1
161.09627	7.4
161.13252	3.5
163.11154	2.9
165.06987	3.4
167.08582	4.3
169.10124	9.4
170.10863	5.0
171.08025	3.0
171.11713	10.1
173.09639	19.1
173.13237	7.6
181.10110	3.8
182.10944	7.1
183.11649	10.0
184.60301	2.5
185.09608	3.8
185.13258	5.9
187.11111	3.2
189.12799	6.9
193.10126	2.6
195.11682	7.6
197.13286	16.9
199.11176	4.6
199.14816	9.8
201.12822	4.5
203.10628	2.9
203.14407	2.5
207.11763	4.0
208.12440	3.8
211.14851	8.6
213.12791	8.2
213.16142	2.2
215.14336	7.6
217.12260	2.2
217.15891	3.0
221.13228	3.4
223.14836	9.2
225.12700	7.6
225.16408	2.8
239.14319	2.5
241.15875	14.8
243.13837	9.1
253.15858	2.3
253.19604	11.8
257.19022	12.7
269.15228	2.8
271.20605	4.5
281.18936	23.4
299.16617	7.3
299.20056	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2006
Annotation	Abieta-8,11,13,15-tetraen-18-oic acid
Peak:m/z	Relative Intensity
53.03943	2.9
55.05506	4.3
57.63605	1.4
67.05495	5.6
67.97216	1.2
69.07066	5.5
69.35141	4.1
69.35567	7.5
79.05505	7.2
81.07072	13.9
91.05495	14.3
93.07048	45.4
95.04973	4.0
95.08604	16.3
97.06511	1.4
98.20714	2.7
100.94543	1.6
105.07038	40.1
107.08598	22.1
109.06532	1.8
109.10143	6.2
117.07026	5.7
119.08587	19.6
121.10152	5.0
128.06161	1.7
129.06993	4.8
129.64665	1.6
131.08565	12.3
133.10083	7.8
136.47542	1.6
141.06982	1.8
143.08554	9.0
145.10110	15.6
147.11679	13.1
149.05923	1.7
151.07669	1.7
155.08577	17.7
157.10124	10.6
159.11700	30.2
161.13269	29.2
168.09325	1.8
169.10129	14.3
171.11682	15.8
173.13280	14.8
175.14825	1.4
182.10957	5.9
183.11734	7.8
185.13286	5.3
188.61375	1.4
188.99649	1.4
191.10768	2.8
197.13271	46.2
199.14819	3.8
203.10765	2.0
205.12263	5.7
207.11899	1.3
207.13837	5.8
211.14827	11.1
217.12180	7.9
219.13832	6.6
223.14964	1.7
225.16464	3.8
229.12375	1.3
243.13832	12.7
253.19522	78.6
254.19971	1.6
257.15396	2.9
281.19171	2.0
299.20084	100.0
299.23666	4.7
300.20425	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2006
Annotation	Abieta-8,11,13,15-tetraen-18-oic acid
Peak:m/z	Relative Intensity
53.03930	2.9
53.53383	1.2
55.01862	3.0
55.05506	7.9
57.03425	1.6
62.38927	1.3
65.03936	1.7
67.05513	22.6
67.71148	1.3
69.03423	2.7
69.07079	7.7
71.04971	3.6
73.04651	1.8
79.05494	23.9
81.03440	1.7
81.06594	2.1
81.07058	40.6
83.04973	4.0
83.08620	2.3
91.05479	39.1
93.07047	40.6
95.04971	11.2
95.08609	27.9
97.06532	8.6
98.10682	1.7
103.05427	1.7
105.04521	1.6
105.07037	48.9
107.04962	2.6
107.08602	24.9
109.06528	8.1
109.10159	7.8
111.04408	1.8
111.08122	2.9
115.05463	3.9
116.06246	2.0
117.07047	13.3
119.04924	2.3
119.08591	24.9
121.06519	11.6
121.10159	10.7
123.08073	7.2
123.11702	1.4
125.09637	2.3
128.06248	7.8
129.07008	12.2
130.07820	3.6
131.08572	39.1
133.06499	4.3
133.10146	14.4
135.04411	2.5
135.08057	8.2
135.11684	4.6
137.09634	2.1
141.06976	6.7
142.07785	7.3
142.62906	1.4
143.08583	23.4
144.09389	2.5
145.06483	2.3
145.09053	2.6
145.10130	29.8
147.08041	7.5
147.11630	7.5
149.09612	7.3
149.13261	2.0
151.11189	2.4
153.06987	2.2
154.07764	2.4
155.08577	12.9
156.09364	4.7
157.10139	23.5
159.08052	5.0
159.11702	32.2
161.09708	6.7
161.13225	6.6
163.11183	3.1
166.07814	1.5
167.08577	4.0
168.09381	3.3
169.10136	15.6
170.10803	1.7
171.08005	2.6
171.11731	16.8
173.09624	6.3
173.13260	7.3
175.07640	1.9
175.11198	2.6
175.14986	1.8
177.12724	2.1
179.08556	3.3
180.09286	1.5
181.10104	7.5
182.10919	4.6
183.11691	13.3
184.12376	1.3
185.09581	3.6
185.13271	16.5
187.11179	5.3
187.14821	2.1
189.09213	1.8
189.12782	5.9
192.09277	1.7
193.10196	3.7
195.11716	8.0
197.13266	20.0
199.11224	3.0
199.14824	6.7
201.09241	1.8
201.12743	5.3
203.10661	2.4
203.14331	2.6
205.12206	3.7
207.11711	4.3
207.13774	1.4
208.12512	1.9
209.13393	3.3
210.10367	1.5
211.11012	1.4
211.14813	8.0
213.09178	2.9
213.12764	4.4
213.16411	4.6
215.10739	2.2
215.14264	7.8
217.12317	2.0
219.13937	1.5
221.13248	4.3
223.14748	7.2
225.09169	2.4
225.12781	3.1
225.16333	7.8
227.10573	1.8
228.32095	1.7
231.13751	3.0
235.14787	4.2
237.16368	4.0
239.14307	2.2
239.18027	3.0
241.12296	2.0
241.15913	8.1
243.10179	2.6
243.13885	10.0
243.17267	2.0
243.21107	2.3
253.15891	2.9
253.16747	2.5
253.19514	22.0
255.17398	3.5
257.15399	1.7
263.17993	7.4
269.19159	2.5
271.17175	2.4
271.20541	6.1
281.15686	2.3
281.19028	27.1
284.06747	1.6
299.06030	2.3
299.09225	6.3
299.12909	2.5
299.16501	7.5
299.20047	100.0
300.08905	1.8
300.28949	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	299.2005
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
53.03933	3.5
55.05513	7.4
57.07080	2.3
65.03958	2.5
67.05503	18.0
69.03427	2.0
69.07064	11.5
70.86048	3.2
71.04991	1.6
77.03932	1.9
79.05068	2.5
79.05499	27.8
81.03409	2.0
81.06597	2.7
81.07057	46.6
83.04962	2.9
83.08617	4.0
85.63322	1.3
87.58440	1.3
91.05482	44.8
93.07048	55.2
95.04948	4.8
95.08611	28.4
97.06535	3.3
97.10151	1.4
103.05495	1.8
104.84476	1.4
105.04497	1.7
105.07037	64.3
105.40974	1.3
107.04975	2.0
107.08596	30.0
108.09965	1.4
109.06508	3.2
109.10159	7.2
111.04438	1.9
111.08093	3.0
115.05428	5.1
115.44324	1.4
116.06175	2.6
117.07024	14.7
119.04941	5.0
119.08588	52.4
121.06498	3.3
121.10157	19.0
123.04404	2.8
123.08059	4.2
123.11707	2.6
125.05972	3.3
125.09637	1.8
128.06200	5.2
129.06998	13.1
130.07753	1.9
131.07591	2.7
131.08569	40.2
133.06537	1.5
133.10150	23.3
135.04408	1.3
135.08032	2.9
135.11684	6.0
137.05949	2.7
137.09605	5.5
139.07579	3.2
141.07004	7.4
142.07774	9.1
143.08568	25.5
143.09627	1.1
144.09270	4.1
145.06445	1.9
145.10129	28.1
147.08067	3.8
147.11691	11.6
149.05980	2.2
149.09663	3.6
149.13263	1.5
151.07526	3.6
153.06970	2.7
154.07759	2.0
155.08560	19.5
156.09351	4.3
157.10135	30.0
158.10938	1.7
159.08080	25.5
159.11690	37.0
161.09607	3.6
161.13283	12.4
163.07535	3.2
163.11194	2.9
165.09142	1.7
167.08664	3.2
168.09349	2.8
169.10135	17.1
170.10887	1.6
171.08058	2.6
171.11696	15.9
172.56059	1.5
173.09703	2.3
173.13255	10.0
175.07603	3.2
175.11122	1.8
175.14793	2.8
177.09006	1.7
177.12746	1.3
181.10118	3.8
182.10956	2.3
183.11707	16.1
185.09625	4.6
185.13269	14.5
187.07484	2.1
187.11130	3.2
189.09119	3.5
189.12840	1.9
191.10628	1.6
193.10042	1.9
195.11684	4.9
197.13245	22.6
199.11163	4.8
199.14833	5.5
201.09044	2.2
201.12709	3.2
203.10596	3.2
205.12231	5.1
207.11722	2.8
211.11201	3.5
211.14784	10.7
213.12730	2.6
213.16324	2.5
215.10793	1.5
215.14250	3.3
217.12222	4.2
219.13849	2.0
221.13142	1.9
223.14702	3.6
225.12746	5.0
225.16373	6.4
229.12337	3.2
231.13847	7.9
234.13902	1.6
239.14287	2.3
243.13788	9.3
253.15845	1.9
253.19519	46.4
257.15387	3.1
263.17929	4.7
267.72214	1.4
271.16907	2.3
271.20547	3.1
281.18997	22.5
299.09207	3.1
299.16815	3.6
299.20059	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1643
Annotation	CHEBI:68192
Peak:m/z	Relative Intensity
53.03962	0.7
55.01879	3.3
55.05504	2.6
67.05507	14.5
69.03429	2.1
69.07072	1.9
70.38727	0.7
71.01347	3.1
71.08617	0.7
71.50923	0.8
71.51328	0.8
79.05500	3.7
81.07057	5.8
83.04993	0.8
83.08627	1.1
85.76291	0.6
91.05502	3.1
93.07062	3.8
95.04982	0.7
95.08637	1.6
97.02934	0.8
97.06565	1.5
105.07050	3.7
107.04963	2.2
107.08558	3.6
109.06557	0.8
109.10159	11.1
115.05429	0.7
117.06964	1.0
119.08574	3.3
121.02909	1.0
121.06502	1.8
121.10142	2.8
128.06253	2.4
129.07045	1.9
131.08589	2.0
133.06517	1.1
133.10088	1.1
135.08028	0.8
137.05995	2.5
139.07663	0.9
141.07019	1.5
142.07690	0.8
143.08551	3.3
145.06497	2.4
145.10112	2.5
146.07335	1.4
147.08057	3.0
147.11765	0.8
153.07007	1.2
154.07794	1.3
155.08559	2.0
157.06537	1.0
157.10132	2.0
159.08052	6.0
159.11725	1.9
160.08864	1.4
161.06015	2.0
161.09660	3.3
163.07608	0.8
165.06982	1.6
167.07101	1.1
167.08577	2.0
169.10139	3.1
171.08054	5.2
171.11739	1.4
172.08839	2.4
173.09639	9.7
174.06772	3.1
174.10388	1.3
175.07570	9.8
175.11090	0.9
178.07867	1.3
179.08633	2.2
181.06523	2.0
181.10121	1.0
182.07318	2.2
183.08081	1.9
183.11729	2.1
184.08871	0.9
185.06032	1.9
185.09631	4.0
186.10324	1.1
187.07567	3.1
187.11176	7.3
189.09114	15.4
193.10246	1.4
195.08032	1.7
195.11589	0.9
196.08908	3.4
197.05954	1.1
197.09639	13.9
197.13286	1.8
198.06674	1.0
199.07516	5.5
199.11249	1.2
200.08342	8.5
201.09106	4.7
201.12822	2.9
203.07036	8.6
209.09674	2.5
210.10385	1.2
211.07570	0.9
211.11177	9.8
211.14592	0.9
213.05550	1.2
213.09047	5.6
213.12758	1.3
214.09869	5.0
215.10667	29.7
216.15181	2.2
217.08607	16.2
223.07544	0.8
223.11130	0.7
225.09125	4.1
227.07068	2.3
227.10738	2.8
227.14345	1.1
228.07832	6.7
228.11464	2.3
229.08572	3.0
229.12242	12.1
229.15852	3.4
231.10175	1.9
238.13564	0.9
239.10616	4.9
241.08495	3.8
242.09351	3.1
243.10173	51.5
243.17299	1.1
253.15860	8.6
255.10194	0.8
255.13994	1.5
256.11050	3.8
257.11716	9.0
270.13309	1.1
270.16159	7.1
271.16937	52.7
281.15417	4.0
299.09323	2.6
299.16449	100.0
305.37338	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.6
53.03950	3.2
55.01877	2.9
55.05262	0.9
55.05511	8.8
57.03440	5.8
57.07078	0.7
59.05015	1.8
65.03956	0.6
67.05505	8.6
69.03435	7.9
69.07072	45.3
70.95560	0.9
70.95930	0.9
71.04996	8.9
72.93792	0.5
75.04504	0.6
77.03910	1.2
79.05498	24.0
81.07062	40.1
83.04962	2.3
83.08616	2.3
85.02905	0.8
85.06552	0.7
87.04459	2.7
91.05477	12.1
93.07049	100.0
94.07366	0.5
95.04974	6.0
95.08001	0.6
95.08169	0.3
95.08611	13.8
97.02895	2.0
97.06540	21.7
97.10187	1.6
99.04434	2.2
105.04543	1.3
105.07033	6.6
107.04985	1.1
107.08600	8.1
109.06524	47.4
109.10164	5.7
111.08088	32.5
111.11724	5.2
115.03927	6.6
117.07030	0.7
119.04967	0.5
119.08594	2.3
121.06532	0.9
121.10152	49.4
121.35275	0.5
123.08063	2.1
123.11713	2.7
125.09633	1.0
127.07568	1.1
129.06993	1.3
131.08577	8.1
133.06520	0.7
133.10147	1.2
133.83543	0.5
134.07269	0.6
137.06006	2.6
137.09627	5.5
139.11189	16.4
140.47861	0.4
143.08583	0.7
145.10172	1.0
149.09630	77.7
150.09981	0.8
155.08517	0.6
157.10156	1.2
159.11763	0.8
161.13304	0.5
167.10687	87.5
168.10986	1.0
169.10118	0.6
171.08070	0.5
171.11670	0.7
173.13321	0.5
175.07504	1.2
179.08432	0.5
184.83502	0.4
185.11740	2.6
185.13229	0.7
197.09500	0.5
197.13263	1.1
197.57434	0.6
200.93663	0.4
201.07629	0.9
225.16405	0.7
235.13289	0.5
253.14400	4.2
253.19572	3.0
257.04706	1.4
266.09427	0.5
267.10211	1.2
267.82800	0.5
269.13785	1.8
281.14090	1.0
281.19003	0.5
299.09250	1.3
299.14954	9.6
299.19858	3.9
316.47577	0.5
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	3'-Hydroxy-4',5'-dimethoxyflavone
Peak:m/z	Relative Intensity
57.97601	0.4
63.07653	0.3
67.05486	0.9
69.64041	2.1
77.92367	0.3
79.05473	0.7
81.03405	0.3
81.07052	1.6
82.07328	0.3
91.05477	0.9
93.07048	0.5
94.04176	0.7
94.85603	0.4
95.08630	0.7
105.07030	1.1
107.04947	0.6
108.02091	0.6
109.10139	0.4
118.04167	0.5
119.08588	0.9
120.05723	4.4
121.02863	1.0
131.08609	0.4
133.10129	0.4
137.02353	1.5
143.08475	0.4
145.02841	0.6
145.10115	0.7
147.04382	0.4
147.11647	0.5
151.00259	1.0
153.07031	0.4
155.08560	0.7
155.33598	0.3
157.10013	0.4
159.11588	0.4
163.03940	0.4
163.67461	0.3
165.01794	1.2
165.06990	0.4
168.95863	0.4
169.10156	0.7
173.09621	0.5
181.06474	0.8
185.13237	0.4
197.13297	0.9
199.07590	0.3
210.06853	0.7
213.05441	1.6
215.14395	0.5
226.06279	1.2
237.05505	0.4
238.06258	5.0
239.06990	0.8
241.04922	1.1
243.10046	0.4
253.19368	0.4
254.05717	1.1
255.06532	30.8
255.45021	0.4
256.07153	1.0
267.06583	2.7
267.68863	0.4
269.04492	1.1
270.02487	0.3
270.05228	6.5
270.07947	0.7
271.05945	1.5
281.04459	1.6
281.18878	0.7
283.06027	29.8
284.06799	22.0
284.10004	0.8
299.09137	100.0
299.20059	2.4
300.09476	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	1.8
55.93515	0.6
56.96556	0.9
68.66856	0.4
69.07058	0.7
69.48531	2.8
69.96176	1.7
70.95851	1.6
72.90326	0.4
80.40466	0.4
82.99879	0.9
83.04982	3.0
83.08609	0.7
85.01394	2.1
88.96928	0.6
98.97590	6.4
101.00883	7.0
102.00983	0.5
103.02450	5.3
107.41978	0.4
111.04462	2.6
111.11705	0.4
113.05991	2.1
116.98602	2.6
119.01921	15.1
120.02044	0.8
121.03531	1.0
123.02940	0.5
125.04477	0.5
127.07549	1.9
129.03990	0.6
131.55370	0.4
131.96156	0.6
132.96658	0.5
134.99683	1.3
137.02939	3.0
137.05971	0.5
139.06029	0.6
141.03976	2.4
143.05542	6.0
145.03474	7.7
147.05046	5.5
149.97223	0.5
151.06081	0.5
153.03961	0.8
155.05591	1.4
155.07027	14.5
157.03590	0.7
157.07121	6.2
159.04988	1.6
160.48387	0.5
161.06596	6.9
163.04517	7.9
165.06120	2.4
167.05562	0.7
169.03439	0.8
169.07091	3.6
171.05038	2.9
173.06668	0.9
174.97702	1.4
175.08165	9.5
177.00984	3.1
178.01047	3.6
179.00705	1.0
180.00887	0.4
183.05023	1.1
183.08670	1.3
185.06599	9.4
187.04561	2.2
187.08171	10.9
187.09865	0.5
189.06094	13.5
190.95035	0.7
191.95000	1.5
192.94749	0.6
192.98730	0.9
193.03366	0.5
195.05000	2.4
201.00835	0.6
201.06100	1.2
201.09766	2.5
202.01030	0.5
203.02457	0.7
203.07602	2.9
204.02660	0.5
205.05582	1.0
207.07137	0.9
207.94522	0.6
208.96149	0.5
209.96092	1.4
210.95909	0.7
211.04518	6.0
211.08029	1.1
212.04762	0.5
213.06096	8.3
213.09671	5.0
214.95712	0.5
217.03934	0.5
218.04382	0.6
219.02014	5.4
220.02185	4.1
221.01750	1.4
222.01958	1.1
229.05598	3.2
229.12781	0.6
231.00420	0.5
231.07175	2.3
231.10745	1.5
232.96597	1.7
233.96143	2.5
237.06068	1.4
239.07709	1.5
241.04063	0.4
243.01936	0.7
244.02220	1.8
247.06656	0.4
250.97644	1.2
251.97098	2.5
252.96939	0.6
253.19365	0.5
255.07234	3.3
255.10777	5.8
256.96716	2.0
257.03568	1.4
257.08701	5.6
257.96249	0.7
258.99780	2.6
261.03079	3.5
262.03210	17.4
263.02933	1.5
271.03363	0.4
274.97623	5.0
275.04565	1.5
275.97174	10.6
276.04678	2.8
276.96729	1.9
277.00827	1.9
292.98547	1.0
293.98190	5.0
294.98080	0.9
298.97784	10.4
299.09763	100.0
300.10013	2.6
316.94971	0.6
316.98810	11.5
317.07446	0.6
317.10880	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	298.0971
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
52.78745	0.2
61.01155	4.9
68.31580	0.2
69.03441	0.3
71.23163	0.4
72.58720	0.2
75.02705	2.4
81.95531	0.2
85.36739	0.2
94.04044	0.5
97.02908	1.6
103.02157	0.4
109.75241	0.2
118.46410	0.2
119.03574	1.3
136.06197	100.0
137.04633	0.4
137.06567	0.3
145.03185	1.2
163.04242	1.3
167.89592	0.2
182.04980	0.3
298.09683	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	298.1149
Annotation	Nelarabine
Peak:m/z	Relative Intensity
56.96566	3.3
57.03428	0.8
61.01141	1.1
61.02944	0.6
69.03425	0.9
69.40823	3.5
70.06585	1.3
73.02917	0.6
81.03435	0.8
84.08128	1.0
84.87876	0.4
85.02910	2.2
91.05502	0.7
95.04975	0.5
97.02889	1.9
97.06532	0.5
98.21609	0.7
98.96149	0.5
98.97593	4.9
101.00878	0.5
107.04893	0.5
109.05113	1.0
110.03553	0.9
112.07616	0.7
116.98624	1.8
118.55255	0.5
119.01913	1.1
124.03960	1.5
128.04596	0.7
128.98607	0.6
131.04990	0.4
134.99617	0.5
136.06200	28.9
137.05992	0.8
138.05499	0.6
138.09155	0.5
141.77397	0.5
143.00238	0.5
145.03271	1.0
148.08633	0.6
149.04610	6.8
152.05693	1.6
152.06967	0.5
153.04070	2.1
158.06659	0.9
163.04214	0.6
164.07172	0.6
166.07262	100.0
167.05667	6.2
177.00772	0.7
178.07246	1.7
184.03809	0.6
191.98093	0.5
193.04445	0.9
193.10942	1.3
208.95888	0.6
237.02635	0.6
239.11391	1.9
274.07147	1.0
274.97418	1.2
292.98529	1.2
298.11719	2.8
299.09445	0.9
300.06284	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.0
55.05513	10.0
57.07080	19.4
58.07391	2.0
60.04541	15.4
65.98621	2.3
67.05497	8.4
68.40154	1.8
69.07069	24.5
69.84785	8.7
70.07417	1.9
71.08624	11.8
72.08174	12.5
79.05482	3.9
81.07072	10.2
83.08624	16.3
85.10177	6.5
86.09714	21.3
87.10040	9.5
88.80574	2.2
91.05468	5.1
93.07050	5.5
95.08607	7.1
97.10167	8.3
98.21552	2.5
105.07038	12.0
107.08581	11.1
108.47662	2.3
109.10152	5.7
111.11703	4.8
114.09171	7.0
118.69313	1.9
119.08600	5.0
119.79219	1.9
121.10158	4.0
123.11697	2.0
133.10158	4.7
136.12010	2.9
143.08621	2.1
144.08109	2.8
147.11636	12.2
183.09361	6.8
192.24512	2.6
203.17973	11.7
239.15614	3.7
245.15199	2.3
261.04892	2.2
267.00027	2.1
279.23172	2.5
297.18634	6.2
297.29849	100.0
298.19379	15.6
310.66830	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2426
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
50.06338	2.7
50.38674	3.1
53.03962	4.6
55.01863	10.1
55.05515	74.1
57.03436	6.4
57.07077	12.0
61.46146	2.9
67.05509	100.0
69.03420	5.3
69.06731	5.5
69.07076	68.2
70.96207	7.9
71.04986	6.6
71.08627	8.0
79.05508	40.9
81.07063	88.7
82.60957	2.8
83.04984	7.2
83.08620	41.2
85.06543	7.3
91.05457	13.8
93.07052	38.6
95.08621	62.8
97.06544	10.6
97.10175	48.9
99.08102	7.0
105.07010	10.6
107.08604	39.4
109.06548	5.0
109.10165	37.8
111.08089	11.0
111.11751	5.5
117.07030	9.6
119.08571	10.9
121.10165	16.7
123.11754	16.8
123.12518	2.8
125.09641	43.6
130.78906	2.6
131.08582	10.7
133.10114	6.6
135.08035	6.9
135.11708	33.7
137.09601	4.0
137.13249	10.2
143.08630	2.9
145.10100	10.2
147.11710	8.7
149.13272	7.5
151.14771	5.3
153.09116	3.0
153.12738	15.1
159.11650	4.6
161.13228	4.3
163.14856	5.5
165.12714	3.2
168.95219	2.9
173.11703	5.6
173.13312	6.4
175.14709	3.2
177.16385	4.3
183.11601	3.2
183.13803	17.9
187.14839	3.9
189.11284	16.0
191.14290	3.3
195.11650	3.1
209.13417	2.9
237.62389	3.2
243.21117	8.1
251.18022	3.8
251.23755	5.9
261.22202	23.9
267.04279	2.7
279.23276	65.2
297.18494	11.1
297.21872	5.6
297.24667	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	297.2427
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.03939	2.9
55.01871	2.9
55.05518	13.0
57.07086	5.0
59.76908	2.0
62.46033	2.4
63.21316	2.0
67.05510	29.2
69.07070	15.2
69.18601	20.1
71.08639	100.0
79.05490	13.2
81.07067	42.7
83.08636	9.3
86.98125	2.0
89.06116	2.0
91.05487	17.0
91.83336	2.3
93.07040	15.5
95.08611	34.3
95.09178	2.8
97.06528	4.0
97.10165	5.3
99.08104	93.0
105.07032	17.6
107.08608	15.6
109.10174	9.6
111.08095	2.8
113.09644	2.7
117.07026	3.2
119.08595	14.0
121.10153	12.4
123.08049	4.0
123.11711	8.5
125.09608	3.8
127.11234	6.0
131.08578	8.9
133.10106	3.0
135.11697	6.9
137.13303	5.9
139.11270	2.3
145.10129	6.4
147.11693	45.9
149.09630	3.0
149.13290	5.3
153.12776	8.2
155.08498	2.8
159.11719	3.5
161.13239	3.5
163.11206	9.0
163.14807	17.0
165.12741	16.4
167.14398	4.5
173.13290	5.2
181.15948	10.1
187.11145	2.4
229.79221	2.2
243.21114	12.2
261.22159	17.0
279.23203	50.4
297.18506	6.2
297.21768	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	297.17
Annotation	7-O-Methylpseudomajucin
Peak:m/z	Relative Intensity
50.48999	1.7
53.69616	1.7
55.01873	3.4
55.05501	4.2
56.96557	3.3
57.03424	2.4
67.05516	12.1
68.99809	1.9
69.03092	3.5
69.03437	48.7
69.07056	5.3
70.12673	8.0
71.05003	28.2
79.05499	9.4
81.07075	13.9
83.04992	3.1
83.08598	2.9
85.02893	4.2
91.05485	7.1
92.65839	1.8
93.03402	3.5
93.07074	9.0
95.04989	4.9
95.08617	14.6
97.06525	6.1
99.04472	2.5
99.08082	5.8
105.07056	13.0
107.08592	7.1
109.06508	6.3
109.10169	26.5
111.04454	3.3
113.02346	2.1
115.05458	3.1
117.07015	5.1
119.08579	6.6
120.62406	2.2
121.06546	2.6
121.10183	4.6
123.04424	4.1
123.08067	7.6
127.03892	6.5
127.10299	3.8
127.11198	53.8
128.06209	3.5
129.07034	3.1
131.08569	7.1
133.10143	4.3
135.08029	4.4
135.11690	2.3
137.02362	17.3
137.05997	7.1
137.09641	4.1
138.06711	2.9
139.07596	2.4
143.08560	3.7
145.10100	3.7
147.08069	2.7
149.09641	3.3
151.07555	100.0
151.47914	2.1
153.12726	3.6
155.08583	3.8
155.10658	43.6
155.11917	2.3
157.10141	4.1
159.08092	3.3
159.11737	4.1
161.09616	3.4
163.07605	3.9
165.07060	2.7
167.07066	22.0
169.10143	2.9
171.11690	2.7
173.09637	3.3
173.13251	3.3
177.09151	5.1
179.07059	48.8
179.08556	4.8
181.10213	2.5
183.11584	3.4
187.11153	2.7
189.09059	1.8
191.07126	2.3
195.11684	5.4
197.09694	2.3
197.13324	2.0
201.12755	3.9
205.12234	7.1
209.09764	2.0
211.09660	58.9
219.13815	18.1
223.14917	3.4
223.83095	2.0
229.12306	2.7
237.09315	2.0
237.14842	61.4
241.12300	2.5
243.10167	1.9
247.13338	16.9
249.60536	1.9
251.17964	8.2
265.14407	15.0
279.15878	34.5
297.07883	2.9
297.11340	6.8
297.16714	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	295.2269
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03931	10.6
55.01876	43.8
55.05513	70.8
57.03425	6.1
57.07080	18.3
67.05508	96.3
69.03419	6.1
69.07075	51.0
69.74114	2.8
70.11536	12.8
71.04981	11.3
71.08643	26.1
71.36087	2.7
79.05495	63.4
81.03435	13.7
81.07061	100.0
83.04974	24.3
83.08623	40.2
85.02888	4.9
85.06521	6.2
85.10179	4.5
86.09683	3.9
86.98834	2.5
91.05485	52.9
93.07041	86.6
95.04971	25.6
95.08617	60.0
97.06540	21.1
97.10168	21.9
99.08096	24.2
104.10751	5.1
105.07034	43.9
107.04948	6.7
107.08603	40.4
109.06511	12.7
109.10149	24.2
111.08086	55.4
113.09655	4.1
117.07017	9.0
119.08578	26.6
121.06489	7.4
121.10150	25.2
123.08057	9.1
123.11686	9.9
125.09632	18.2
129.07001	8.3
131.08543	9.5
133.06416	3.8
133.10129	37.6
135.08055	6.8
135.11696	27.1
137.09641	5.8
137.13142	4.1
139.11194	15.6
143.08588	5.4
145.10165	6.4
147.11676	21.4
149.09581	6.9
149.13264	20.9
151.11218	20.9
153.12744	4.6
157.10138	10.5
159.11723	8.2
161.13260	17.1
163.11259	5.9
163.14841	6.6
165.12743	18.7
167.14287	4.8
171.09949	2.4
171.11626	8.1
175.11182	4.1
175.14841	3.3
177.12730	4.2
179.14264	14.0
184.07323	4.7
185.13181	6.8
185.74106	2.7
189.11203	6.7
207.13791	3.4
210.16214	2.5
217.19487	3.2
221.15323	4.4
231.20975	5.7
236.15556	3.0
241.19572	8.4
249.22165	8.0
259.20612	17.2
263.85205	2.6
277.21643	99.2
278.81958	3.0
295.13782	2.7
295.19888	3.8
295.22754	64.3
295.29114	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	297.1335
Annotation	Anislactone B
Peak:m/z	Relative Intensity
51.33950	3.3
51.68374	3.1
53.03936	8.9
53.75970	3.0
55.01878	16.4
55.02090	3.0
55.05511	18.3
57.03428	7.3
58.58167	2.8
59.04990	3.8
60.94153	2.7
67.05513	48.3
68.99816	2.9
69.03436	100.0
69.07070	25.9
70.17552	11.4
71.01340	3.3
71.04979	11.8
79.05499	44.6
81.03397	9.1
81.06589	5.4
81.07061	95.4
83.04983	16.5
83.08595	8.6
85.02898	4.8
85.06559	5.8
87.04455	4.6
91.05479	70.1
93.07050	45.6
95.04977	52.5
95.08614	29.5
97.02909	21.5
97.06551	17.7
98.20865	3.8
99.04450	11.3
99.08096	5.0
103.05460	10.0
105.07041	73.5
107.04947	22.8
107.08624	21.1
109.02887	4.4
109.06531	17.8
109.10110	8.2
111.04441	11.3
111.08088	5.2
113.05984	17.6
115.03940	23.6
115.05474	12.5
117.07030	29.5
119.04941	11.9
119.08583	45.1
121.06519	37.6
121.10159	19.1
123.04438	8.4
123.08059	9.7
123.11689	21.7
125.06007	6.0
128.06221	16.0
129.07036	29.1
131.04935	8.2
131.08568	22.8
133.06508	16.1
133.10114	10.2
135.04434	18.3
135.08031	12.3
137.05948	11.1
137.09579	4.5
137.13243	6.1
141.05452	9.0
141.06987	12.4
142.07843	6.7
143.08603	22.6
143.09525	3.7
145.06506	25.0
145.10135	28.3
146.07315	3.6
147.04366	7.1
147.08076	22.2
147.11691	50.9
149.06000	16.2
149.09586	8.4
151.07556	8.3
153.05475	3.7
153.06931	5.1
154.07748	12.9
155.06075	4.6
155.08571	19.7
157.05319	3.8
157.06520	6.7
157.10120	9.2
158.07274	4.0
159.08058	17.1
159.11714	11.7
161.05971	10.6
161.09593	11.0
163.07582	17.0
163.11240	5.3
165.05457	5.0
165.07010	4.0
165.09137	5.9
165.12801	30.2
167.07034	11.5
167.08600	8.0
169.10159	23.4
171.08047	11.9
171.11754	4.5
173.05965	5.3
173.09622	36.5
175.07527	8.1
175.11189	13.4
177.09137	7.1
179.08543	7.9
181.06496	4.2
182.07289	4.3
183.08041	6.1
185.07713	2.9
185.09601	8.2
187.07524	8.1
187.11096	14.6
189.09111	11.2
191.07033	10.8
191.10667	9.0
193.04958	7.9
193.12260	7.7
194.07196	3.5
197.09616	22.9
199.07448	4.8
199.11208	7.4
201.09196	23.2
203.10684	5.8
204.82860	3.8
205.08627	8.3
207.10127	3.2
213.09242	6.2
215.10689	33.3
217.08492	5.1
219.10126	16.5
225.09064	7.1
231.10168	9.8
233.11728	16.3
237.09166	5.8
243.10172	36.5
249.11246	9.9
261.11243	54.5
265.08618	10.4
269.35471	3.4
279.12329	39.6
280.84662	3.1
297.13382	26.4
297.17026	32.9
299.06107	3.6
299.20505	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1336
Annotation	Anislactone B
Peak:m/z	Relative Intensity
53.03947	5.6
55.01871	6.2
55.05509	7.2
55.35987	1.7
57.03442	3.9
57.16851	1.6
59.05006	2.1
65.03944	2.7
67.05510	31.4
69.03438	100.0
69.07057	7.2
70.54748	5.7
71.04990	6.7
79.05504	24.1
81.03416	4.5
81.07063	31.7
83.05008	13.7
83.08595	3.5
85.02899	3.4
87.04477	2.9
91.05494	42.6
93.03381	3.4
93.07056	30.9
94.41151	1.8
95.04978	33.1
95.08613	13.9
97.02914	19.5
97.06536	4.8
97.10159	1.9
99.04468	7.3
99.08097	3.2
101.06046	2.6
103.05480	4.7
105.03455	1.9
105.07043	37.8
107.04967	14.9
107.08621	14.4
109.06523	7.6
109.10168	40.2
111.04443	10.7
111.08116	3.3
113.06026	19.4
115.03939	24.2
115.05455	8.6
117.07022	26.5
119.04926	7.2
119.08593	20.2
121.06517	29.0
121.10168	5.4
123.04420	5.6
123.08073	6.9
123.11692	3.2
125.06040	3.3
128.06221	14.4
129.06999	19.5
130.07800	3.7
131.04965	2.6
131.08592	16.8
133.06522	11.2
133.10152	7.6
135.04424	8.4
135.08058	11.1
137.05998	7.7
137.09634	4.3
137.13263	5.4
139.03947	2.4
139.07523	2.5
141.05460	2.8
141.07001	10.6
142.07770	7.2
143.08569	21.4
145.06493	18.2
145.10141	26.6
147.08070	15.5
147.11717	4.3
149.02521	2.5
149.06004	14.1
149.09621	3.8
151.07585	6.1
153.05510	6.5
153.07010	6.8
154.07765	10.8
155.08566	17.7
156.09241	2.5
157.06532	6.1
157.10179	9.6
158.07329	5.3
159.08081	16.5
159.11714	4.0
161.05969	5.0
161.09659	15.0
163.07545	9.2
163.11195	2.3
165.05487	7.1
165.06903	2.5
165.09099	4.5
165.12782	4.8
167.07027	10.0
167.08488	4.3
169.10144	20.4
171.08061	12.1
171.11726	4.9
172.08829	2.3
173.06053	10.5
173.09650	33.1
175.07536	6.2
175.11255	4.6
177.09087	4.4
179.07103	3.9
179.08592	5.6
181.08604	2.2
182.07303	3.5
183.08064	7.4
185.09627	8.0
186.67059	2.0
187.07561	6.1
187.11186	11.4
189.09145	14.3
191.07054	8.5
191.10619	5.9
193.12383	2.0
194.07324	2.4
197.09634	18.2
199.07533	2.9
199.11215	4.6
201.09189	18.6
203.06995	2.9
203.10707	6.0
205.08533	5.2
207.10124	7.0
213.09129	5.6
215.10681	30.8
217.08606	2.6
217.12331	3.6
219.10170	15.1
225.09181	9.3
226.89700	1.8
231.10139	11.7
233.11714	16.5
237.09120	4.2
237.11328	5.3
243.10164	30.5
249.11201	10.3
261.11258	50.8
262.56738	2.0
265.08636	3.5
279.12302	31.3
297.08243	2.2
297.13663	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	295.227
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03942	14.3
55.01879	12.7
55.05515	44.7
57.03430	5.9
57.07078	17.1
60.08165	7.3
66.35399	5.5
67.05513	100.0
69.07077	45.2
69.71995	17.3
69.72405	10.0
71.05007	6.0
71.08642	56.7
79.05506	50.1
81.03413	14.5
81.07063	93.9
83.04990	18.4
83.08636	24.4
86.09711	32.5
91.05491	45.6
92.82165	5.0
93.07062	70.8
95.04969	23.3
95.08615	48.9
97.06553	9.4
97.10181	23.1
99.08091	39.5
104.10790	7.6
105.07049	34.1
107.08607	40.4
109.06521	11.3
109.10155	38.2
111.08096	14.2
117.07000	9.0
119.08585	28.3
121.10143	30.5
123.08095	14.1
123.11764	12.8
125.00033	24.3
125.09660	14.7
129.07060	9.9
130.11751	4.7
131.08562	17.1
133.10156	22.4
135.08067	8.8
135.11693	36.5
137.09685	7.4
143.08611	8.6
145.10123	8.4
147.11705	19.1
149.13223	6.4
151.11209	43.4
157.10092	8.0
159.11732	8.7
161.13272	29.8
163.11256	17.6
163.14816	7.6
171.11662	5.6
175.14844	7.7
179.14357	18.8
184.07373	79.2
203.29517	5.2
206.72697	5.0
221.15274	6.9
241.19536	12.5
259.20593	13.7
271.94131	5.3
277.21677	94.5
295.16745	10.0
295.22702	22.4
296.22861	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	295.227
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03952	6.3
55.01863	4.8
55.05514	50.4
57.03437	5.8
57.07078	8.7
62.48131	4.0
67.05179	7.2
67.05508	94.0
69.03397	4.9
69.07073	26.8
69.64293	10.0
69.64705	21.3
71.04995	5.9
71.08640	48.9
74.27998	4.7
79.05498	61.3
81.03396	7.8
81.07065	84.5
83.04975	16.2
83.08635	29.6
85.06557	6.1
91.05474	34.2
93.07044	82.9
95.04966	9.6
95.08615	54.5
97.06541	11.1
97.10180	35.7
99.08112	33.2
105.07024	29.0
105.99828	4.1
107.04968	6.5
107.08602	60.2
109.10161	57.8
117.06966	7.2
119.08581	20.5
121.10151	39.6
123.11748	5.9
125.09621	19.5
131.08543	5.5
133.10121	16.6
135.08073	6.4
135.11720	42.9
137.09549	7.7
139.11140	4.7
143.08600	6.3
147.11691	9.1
149.13272	13.2
151.11195	20.9
159.11742	6.9
161.13252	12.6
163.11066	6.2
163.14842	5.4
165.12794	4.9
171.11618	6.3
179.14336	100.0
189.11206	9.9
217.59180	5.3
221.15367	6.0
225.66797	5.0
230.84973	4.6
231.25220	4.8
235.16917	6.0
241.19263	5.0
259.20654	11.1
260.80225	4.2
277.21677	67.0
292.69754	4.4
295.22757	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	295.227
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03928	7.1
55.01876	36.0
55.05275	2.8
55.05516	45.1
57.03428	2.4
57.07085	11.4
65.03928	3.5
67.05508	70.0
69.03426	4.3
69.07065	28.5
70.06654	9.6
71.04977	4.1
71.08635	31.6
79.05495	46.6
81.03419	20.1
81.06593	4.4
81.07059	74.3
83.04986	16.1
83.08224	2.6
83.08632	28.8
85.02891	2.5
85.06532	5.3
85.10171	8.5
87.52241	2.0
91.04908	3.0
91.05482	40.1
93.07047	54.3
95.04963	16.0
95.08607	40.4
96.08154	2.8
97.06532	24.0
97.10178	14.5
98.21416	3.7
99.08099	29.7
104.25578	2.2
105.07036	31.4
107.04926	5.1
107.08611	29.2
109.06512	7.9
109.10166	21.0
111.08094	41.0
113.09612	12.2
117.07005	8.7
119.08575	19.8
121.06518	3.5
121.10155	20.2
123.08035	6.3
123.11690	8.4
125.09639	15.0
128.06207	2.9
129.07002	4.8
131.08549	8.9
133.10120	28.9
135.08092	4.9
135.11688	18.6
137.09590	8.3
137.80910	2.4
139.07547	2.7
139.11153	6.3
143.08543	4.3
145.10094	7.5
147.11702	22.2
149.09578	10.8
149.13319	11.8
151.11165	29.4
153.12762	5.5
157.10062	5.2
159.11696	6.6
161.09653	4.9
161.13255	13.8
163.11229	11.9
163.14793	2.5
165.12750	24.0
167.14322	3.7
171.11699	4.5
173.13275	4.6
175.11249	5.5
175.14854	4.6
177.12756	2.9
179.14330	12.4
185.13255	4.8
189.11205	5.0
189.12785	5.0
193.15918	3.3
193.83147	2.2
199.14781	4.0
207.13751	3.4
217.19617	2.6
221.15303	4.4
231.21069	4.3
232.53204	2.8
241.19563	8.5
249.22115	6.8
259.20660	15.4
277.21643	100.0
295.22742	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03939	5.8
55.01872	5.2
55.05518	25.7
57.03440	1.7
57.07068	6.1
59.05006	1.6
61.89782	1.4
67.05508	53.0
68.05829	1.8
69.03452	2.4
69.07075	14.9
71.04993	2.5
71.08645	10.1
71.50092	2.2
79.05495	28.7
80.05817	1.8
81.03432	13.5
81.07059	30.1
82.07394	2.7
83.04983	6.5
83.08633	15.1
85.06561	2.8
91.05490	14.4
93.07054	23.9
94.04181	3.4
95.04993	9.8
95.08617	17.1
97.06537	3.8
97.10174	20.8
99.04411	1.6
99.08102	5.8
103.05485	1.5
104.44682	1.5
105.07047	14.6
107.04973	3.7
107.08601	20.2
108.08924	1.9
109.06518	5.3
109.10169	15.5
117.07025	4.9
119.08590	6.9
120.08903	2.1
121.10149	8.8
122.03652	6.8
123.03985	6.2
123.11684	3.9
125.09656	14.2
129.07013	3.2
131.08607	4.8
133.06499	2.8
133.10144	10.2
135.08072	4.1
135.11697	10.5
137.05988	100.0
138.06326	82.8
141.06952	1.6
141.12759	3.0
143.08582	4.3
145.10130	4.6
147.11700	6.5
149.13255	5.8
151.11176	10.8
157.10103	2.4
158.15373	1.6
159.11725	2.9
161.13297	7.7
163.07530	1.7
163.11209	4.1
163.14818	2.1
171.11748	2.9
173.13319	1.6
175.14786	3.6
177.12820	3.0
179.14262	2.5
185.13264	2.3
189.11183	10.3
197.13168	1.8
199.14900	2.5
231.21123	2.0
241.19604	2.9
259.20633	5.3
277.21655	41.8
295.13351	2.8
295.16940	3.3
295.20428	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	295.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.01878	4.9
55.05515	9.7
57.03197	1.6
57.03444	18.3
57.07077	1.1
62.01194	1.0
65.03934	1.6
67.05509	17.4
68.13191	0.9
69.03423	2.3
69.07071	10.8
69.43220	2.3
69.43621	5.0
71.05001	4.8
77.03929	1.4
79.05080	1.1
79.05499	18.4
81.03412	1.3
81.06599	2.1
81.07061	37.6
81.14523	0.9
83.04974	2.4
83.08618	4.3
85.06551	100.0
91.05490	18.6
93.07052	47.8
95.04974	15.8
95.08069	1.7
95.08617	25.7
97.06554	8.1
98.20808	2.0
99.04420	1.3
99.08096	2.0
101.06029	1.5
103.03952	6.1
103.05500	1.4
105.07040	37.9
107.04960	3.0
107.08604	25.2
109.06525	10.9
109.10163	4.5
111.04470	1.0
111.08080	5.2
113.06023	2.8
115.05439	2.2
117.07022	4.6
119.08595	29.1
121.06509	17.5
121.10165	7.6
123.08086	5.5
123.11688	2.1
125.09626	1.8
128.06212	4.0
129.05516	5.7
129.06996	3.2
131.08592	5.5
132.42256	0.9
133.06479	2.4
133.10149	16.2
135.04428	1.5
135.08029	3.7
135.11691	3.4
136.50267	1.2
137.09554	1.3
139.07553	4.3
139.11211	1.1
142.07782	2.7
143.08571	11.1
145.10143	8.2
147.08047	5.8
147.11725	6.2
149.05954	0.9
149.09689	1.9
149.13263	2.0
151.07533	1.7
153.05490	1.2
153.06978	0.9
153.09090	1.0
155.08588	1.1
157.08720	2.0
157.10115	6.6
159.11705	9.6
161.09676	6.6
161.13275	34.1
163.11172	2.6
163.14854	1.4
165.06999	1.3
165.09200	1.0
167.08582	2.3
169.08641	15.5
169.10034	1.2
170.10916	1.1
171.08003	3.1
173.09625	2.0
175.07585	1.9
175.11153	3.6
175.14839	16.2
177.09103	2.3
179.14232	1.2
181.08661	1.8
185.09636	4.5
185.13292	14.4
187.07481	1.3
187.14850	1.3
189.09143	3.5
191.10655	1.9
193.08461	1.1
193.15871	1.1
195.10191	15.6
203.10631	1.4
203.14348	26.9
205.08568	1.7
209.08063	1.5
213.09100	3.6
214.28983	0.9
221.15361	7.9
231.10086	3.7
235.13298	2.3
241.08633	1.7
247.09680	1.1
251.12782	1.8
259.09702	4.0
277.18198	1.5
295.09726	2.6
295.16003	1.7
295.19046	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	295.1293
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
52.96814	0.4
53.03948	0.4
55.05514	0.5
56.05048	1.7
58.07176	0.3
67.05511	0.4
69.03417	1.1
69.07070	0.9
70.06591	0.9
71.49706	0.7
72.08141	1.2
73.02904	0.4
79.05482	1.2
81.03448	0.5
81.07066	0.5
83.04963	0.5
84.04513	31.6
84.08150	1.2
85.02911	3.1
86.09699	2.3
91.05467	2.4
93.07076	1.8
95.04984	0.5
95.08659	0.5
97.02920	0.6
97.06538	0.4
98.97593	0.4
102.05545	1.4
102.09182	0.9
103.05472	8.1
105.07030	0.6
107.04957	3.2
109.06552	0.4
117.07012	0.5
117.09190	0.3
118.97820	0.3
119.04951	0.7
120.08115	100.0
121.06519	0.6
121.08398	1.0
127.03949	0.9
129.10239	1.0
130.05019	5.2
130.06491	0.5
131.04933	4.7
132.95802	0.4
135.08090	0.5
136.07558	2.7
137.06017	0.4
143.08421	0.4
145.05005	0.5
146.05971	0.6
149.06042	2.4
150.07773	4.0
158.06052	0.7
161.09634	0.4
165.07043	0.4
166.08655	37.7
172.07536	0.5
174.96968	0.5
186.09142	7.3
191.07071	0.5
203.06880	0.4
221.05997	0.8
224.04294	0.3
232.09718	5.0
249.05537	0.6
277.11661	0.5
278.10205	5.4
295.05878	0.7
295.09915	0.5
295.12927	4.0
295.16534	1.6
303.94183	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2067
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
50.72593	0.3
52.91742	0.3
55.01872	0.4
55.05499	0.7
57.07065	0.8
63.05661	0.3
66.11725	0.4
67.05493	1.2
68.05831	0.3
69.07062	0.4
70.70432	0.3
70.70749	0.5
71.08633	0.4
72.30264	0.3
78.59389	0.3
79.05489	1.6
80.05833	0.3
81.07055	2.9
82.07391	0.3
83.04975	0.3
91.05476	1.2
92.05811	0.5
93.07035	0.6
94.04171	1.8
95.08599	0.4
97.06511	0.3
105.06986	0.5
106.07363	0.3
107.04953	0.5
107.08605	1.0
108.08927	0.5
109.06492	0.6
119.08580	0.4
121.10130	0.3
122.03645	6.7
123.11720	1.8
134.10474	0.4
137.05981	100.0
138.06332	0.5
142.50996	0.3
158.15411	0.9
167.23288	0.3
170.15456	1.4
181.05003	0.3
276.20383	1.9
294.21130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.9296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	4.9
58.75857	3.3
70.58523	11.7
84.08083	5.1
86.08154	3.3
97.43539	3.6
98.97581	14.3
136.94026	100.0
140.88396	4.2
145.01752	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1178
Annotation	Pentalenolactone O
Peak:m/z	Relative Intensity
50.07307	4.3
53.03946	20.2
55.01875	22.1
55.05503	17.6
57.03433	6.9
65.03945	14.3
65.51149	4.1
67.01839	4.6
67.05511	41.7
69.03424	17.3
69.07070	26.1
71.04991	18.1
71.50155	5.2
71.50568	5.8
77.03932	4.9
79.05498	55.7
81.03411	15.4
81.07056	28.2
83.04977	16.4
83.08646	4.8
85.02896	12.4
85.06548	7.4
91.05487	100.0
93.03423	7.2
93.07042	66.0
95.04969	52.7
95.08598	18.2
97.02927	5.2
97.06535	62.4
99.04453	21.1
101.06020	4.7
103.05476	22.1
105.03378	7.4
105.04524	6.6
105.07033	70.2
107.04964	48.4
107.08619	20.1
108.30900	3.6
109.02901	10.3
109.06516	21.7
109.10168	16.9
111.04456	31.8
113.02366	4.5
113.06029	6.2
115.05462	37.2
116.06242	7.9
117.03366	40.1
117.07024	85.1
119.04964	21.4
119.08585	47.2
121.06515	55.7
121.10162	8.6
123.04410	13.4
123.08073	11.8
123.11747	4.6
125.06001	6.4
125.09711	3.7
127.05434	4.5
128.06221	79.3
129.07005	63.2
130.07817	9.9
131.04909	14.7
131.08580	52.2
133.02786	4.5
133.06491	37.5
133.10120	16.8
135.04416	37.1
135.08081	18.7
137.05966	11.9
138.06738	4.8
139.03917	4.4
141.06972	36.7
142.07788	50.0
143.08575	80.2
144.05721	7.3
145.06499	45.6
145.10147	42.3
146.07268	8.5
147.04454	7.7
147.08051	31.5
147.11696	23.6
149.05995	34.0
149.09697	7.9
151.03882	9.4
151.07530	20.7
152.06227	18.0
153.05627	4.9
153.06998	11.9
154.07771	13.9
155.06018	8.5
155.08553	18.3
156.09343	10.6
157.06487	16.7
157.10150	48.8
158.07309	8.3
159.08080	46.9
159.11711	4.8
160.08842	6.5
161.05980	36.6
161.09662	30.3
163.03917	28.3
163.07553	46.3
163.11079	5.1
165.05475	16.9
165.07002	12.4
165.09146	6.1
166.07793	9.3
167.07285	4.9
167.08556	28.1
169.06508	19.8
169.10152	12.6
170.07314	8.1
171.08054	74.5
171.11717	19.9
173.05995	14.6
173.09590	25.1
175.07579	25.9
175.11183	24.3
177.05554	8.2
177.09091	24.3
179.07001	14.6
179.08504	6.7
181.04987	5.4
181.10112	9.6
183.08069	10.7
184.08876	11.3
185.06093	4.7
185.08051	7.0
185.09622	68.8
187.07588	37.2
187.11198	11.6
189.05516	9.7
189.09135	30.1
189.12753	11.5
191.07034	9.8
191.10756	4.5
193.08662	10.1
193.12378	6.0
195.08110	21.2
197.09691	6.1
198.07005	4.7
199.07561	30.1
199.11223	37.7
201.09116	11.9
203.06987	9.2
203.10715	27.5
205.08629	36.3
207.06647	6.2
207.10168	4.1
209.09689	6.5
211.07524	6.9
213.09117	80.0
215.07147	9.6
215.10559	7.7
217.08638	45.0
217.12244	23.4
219.10199	7.1
222.08850	4.9
223.07655	8.7
223.09665	44.1
227.10669	11.1
229.08632	14.8
230.09193	5.2
231.10190	69.2
231.13734	5.5
233.11761	5.6
235.09473	7.6
241.08604	32.6
245.11693	25.4
247.09834	6.3
249.11348	10.3
259.09653	76.8
259.13367	7.1
263.12799	13.7
277.10736	56.5
277.14059	7.8
295.06189	5.3
295.11697	21.9
295.15271	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	294.145
Annotation	Phe-Ala-Gly
Peak:m/z	Relative Intensity
56.05052	0.4
56.12661	0.3
56.96561	0.3
58.06586	0.8
69.29436	0.8
69.29855	1.7
71.04993	0.3
73.72159	0.3
77.02551	0.3
81.07027	0.4
84.04507	24.5
84.08150	0.4
85.02921	0.4
91.05480	1.2
93.07053	2.6
95.04979	0.4
95.08592	0.3
101.07133	3.5
102.05556	1.1
103.05472	7.4
105.07043	0.6
107.08599	0.3
110.77103	0.3
120.08111	100.0
121.08448	0.6
121.10183	0.3
129.06601	0.6
130.05008	37.2
131.04909	2.7
147.07652	45.2
148.07632	0.4
156.09010	0.4
165.10275	3.0
167.28325	0.3
186.09082	0.5
242.08072	0.4
242.91783	0.3
244.10408	0.5
249.12236	0.5
259.10828	0.5
260.09161	1.6
276.13187	0.5
277.08835	0.4
277.11850	6.0
279.06174	0.4
280.05280	0.4
294.05490	0.3
294.09177	0.5
294.14499	9.1
294.17767	0.5
294.20813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72593	0.3
52.91742	0.3
55.01872	0.4
55.05499	0.7
57.07065	0.8
63.05661	0.3
66.11725	0.4
67.05493	1.2
68.05831	0.3
69.07062	0.4
70.70432	0.3
70.70749	0.5
71.08633	0.4
72.30264	0.3
78.59389	0.3
79.05489	1.6
80.05833	0.3
81.07055	2.9
82.07391	0.3
83.04975	0.3
91.05476	1.2
92.05811	0.5
93.07035	0.6
94.04171	1.8
95.08599	0.4
97.06511	0.3
105.06986	0.5
106.07363	0.3
107.04953	0.5
107.08605	1.0
108.08927	0.5
109.06492	0.6
119.08580	0.4
121.10130	0.3
122.03645	6.7
123.11720	1.8
134.10474	0.4
137.05981	100.0
138.06332	0.5
142.50996	0.3
158.15411	0.9
167.23288	0.3
170.15456	1.4
181.05003	0.3
276.20383	1.9
294.21130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2841
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
51.67559	1.0
53.03946	2.5
53.07877	1.1
55.01864	2.7
55.05516	27.9
55.34081	1.0
57.03423	1.6
57.07083	19.3
59.04996	1.7
60.15206	1.0
65.03928	1.5
67.05511	33.2
69.03423	4.3
69.07075	57.3
69.37640	8.7
71.04990	4.2
71.08640	9.0
79.05501	17.7
79.93445	1.0
81.07063	100.0
83.04988	2.6
83.08623	39.4
83.09124	1.9
83.39426	1.2
85.02921	2.3
85.06548	15.5
85.10177	2.2
91.05480	8.3
93.07048	28.6
95.04937	1.9
95.08614	99.6
97.06550	7.7
97.10181	17.9
99.08100	9.2
105.07043	7.6
107.08602	32.2
109.06543	1.2
109.10163	54.1
111.08084	11.9
111.11736	9.5
113.09673	1.6
115.05466	1.6
117.07047	2.6
119.08585	5.0
121.06488	2.8
121.10146	18.5
123.08108	1.3
123.11722	44.3
125.09592	5.3
125.13267	3.3
127.11185	1.6
128.06233	1.6
129.07002	2.7
131.08566	3.7
133.10126	3.6
134.73705	1.5
135.11691	7.9
137.13268	32.6
139.11160	2.3
140.46100	1.1
141.06982	1.4
141.12755	1.5
142.07788	1.7
143.08537	2.5
145.06459	2.0
145.10132	3.8
147.08026	1.8
147.11617	1.2
149.09589	1.0
149.13261	24.9
151.14822	7.4
153.12726	3.2
155.08568	2.6
159.08029	2.2
159.11757	1.5
161.09544	1.7
163.14825	4.5
165.16418	2.8
167.08737	1.3
167.14346	11.4
169.10101	2.4
169.16235	1.0
171.08052	1.5
173.09686	3.0
175.07515	1.1
177.16394	2.9
179.17986	2.2
183.17438	1.3
187.11128	1.7
189.09030	1.7
193.19589	2.2
197.09695	2.5
197.13258	1.2
201.09152	1.9
205.19514	1.5
211.75435	1.1
215.10583	2.1
219.20993	1.8
225.08949	1.5
233.11748	1.8
243.10059	1.4
249.25845	2.1
261.11234	3.1
275.20148	3.9
275.27188	6.9
293.13971	1.4
293.17688	1.2
293.21198	2.4
293.28397	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	293.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49574	1.4
53.03952	2.4
55.01881	2.0
55.05272	1.8
55.05516	29.5
57.07076	20.5
65.03948	1.7
67.05185	2.8
67.05511	32.2
69.03439	2.8
69.07072	58.1
70.95553	3.8
71.04976	1.8
71.08636	8.3
79.05498	16.7
81.03415	1.6
81.07060	100.0
83.08623	34.9
85.06544	11.3
85.10165	1.9
91.05466	7.6
93.07046	28.9
95.04987	2.0
95.08612	95.1
95.51984	1.3
97.06548	5.5
97.10169	17.9
99.08096	7.9
105.07027	6.4
107.08599	33.4
109.06517	1.4
109.10162	55.6
111.08097	11.1
111.11712	12.7
112.07593	1.8
113.09653	2.5
117.07001	1.9
119.08572	2.8
121.06460	1.7
121.10161	20.6
123.08107	1.7
123.10835	2.8
123.11717	44.5
123.76720	1.4
125.09652	4.8
125.13283	6.0
131.08609	2.7
133.10139	1.7
135.11720	9.8
137.09673	1.6
137.12202	2.2
137.13255	36.6
139.11229	3.6
145.10201	2.5
149.13263	23.4
151.14861	3.6
153.12772	3.9
159.11554	1.6
163.14799	7.5
165.16385	3.1
167.14362	8.9
177.16447	2.8
179.17981	3.4
182.46788	1.4
189.12662	1.8
193.19456	1.7
193.98346	1.5
203.14633	1.3
206.37137	1.3
219.21193	1.7
249.25862	2.2
263.40091	1.5
275.20001	2.5
275.27368	6.1
293.08322	1.6
293.21167	2.6
293.28400	45.3
306.91345	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.284
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
51.50952	1.1
53.03942	3.8
55.01856	1.6
55.05515	44.2
55.08677	1.1
56.52599	1.0
57.03419	2.8
57.07077	28.6
65.03946	1.9
67.05510	50.5
69.07072	70.8
70.59968	2.5
70.60308	1.7
71.08627	11.6
73.06546	4.8
74.38565	1.1
79.05494	32.1
81.07061	100.0
83.04961	4.0
83.08624	39.1
85.10173	3.7
91.05475	10.7
91.21622	1.1
93.07047	64.5
95.04961	2.4
95.08612	87.9
97.06526	4.4
97.10176	25.3
105.07027	3.5
107.08597	52.9
109.10159	58.6
111.11734	14.1
119.08560	2.0
121.09489	1.1
121.10145	32.5
123.11714	46.6
125.13255	4.1
125.14092	1.2
135.11697	30.0
137.13271	7.1
139.11230	2.2
149.12071	2.4
149.13263	50.1
151.14833	6.3
153.12747	13.4
163.14851	11.1
165.16373	2.1
167.14392	1.2
169.15886	2.0
177.16406	5.5
179.17982	1.4
191.17952	5.0
193.19386	1.6
205.19585	9.8
209.86847	1.3
219.21062	5.4
233.22691	1.2
236.59985	1.2
275.20178	1.2
275.27368	22.4
293.28403	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.3
55.01875	1.6
55.05514	46.1
56.47275	1.2
57.03441	1.8
57.07080	30.4
65.27305	1.4
65.67825	1.4
67.05508	33.7
67.42818	1.2
69.07073	66.9
71.04968	2.5
71.08640	22.4
71.30016	2.5
73.06535	1.8
79.05502	19.5
79.44324	1.3
81.07065	68.2
83.04987	6.3
83.08624	43.6
85.06563	1.3
85.10188	6.3
91.05473	9.5
93.07053	37.0
95.04955	3.0
95.08612	63.6
97.06524	10.9
97.10174	31.1
101.85830	1.3
103.75145	1.5
105.07053	6.0
107.08598	35.8
109.06533	3.6
109.10163	42.8
111.08089	4.3
111.11739	12.9
113.09634	1.5
117.06985	1.7
119.08589	4.0
121.10152	25.1
123.08064	4.9
123.11710	16.9
125.09657	2.2
125.13286	2.1
132.51167	1.2
133.10132	2.4
135.11696	26.4
137.13292	6.5
139.11171	1.8
139.14751	1.3
147.11671	2.4
149.09636	1.5
149.13274	30.6
151.14751	2.9
153.12753	4.8
163.07321	1.4
163.14825	23.5
165.16383	4.7
167.14261	1.6
177.16374	8.6
179.17999	4.8
191.17972	5.7
193.19429	2.0
205.19484	4.2
209.19035	12.8
219.21082	3.9
275.20047	4.9
275.27347	23.6
293.15839	1.5
293.19092	4.7
293.28409	100.0
310.94421	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2476
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03941	1.5
55.05514	10.1
57.07090	5.9
65.03934	2.8
66.31005	1.3
67.05510	85.3
69.07075	11.7
70.09811	4.0
71.04994	1.1
79.05499	15.6
81.07063	100.0
83.04979	1.4
83.08627	7.5
85.06539	2.6
87.41211	1.2
91.05499	7.1
93.07067	13.3
95.04952	1.2
95.08616	73.0
97.02911	1.1
97.06552	2.9
97.10179	3.4
99.08115	1.7
105.07018	6.8
107.04877	1.2
107.08610	9.5
109.10165	45.5
119.08580	5.3
121.10154	10.9
123.08063	2.2
123.11720	30.6
131.08588	6.0
131.90630	1.1
133.10126	4.8
135.11659	7.4
137.09604	2.0
137.13268	8.5
143.08508	1.6
145.10153	5.5
147.11705	4.1
149.13268	4.5
151.11183	2.3
151.14867	3.4
153.05565	1.6
159.11673	3.3
161.13245	2.1
163.11192	2.3
163.14842	1.9
165.12720	2.0
165.16461	1.4
173.13300	4.4
177.12698	1.9
177.16429	2.3
181.04955	2.0
187.14847	4.1
191.14326	1.8
197.13339	1.5
201.16356	1.4
209.11700	2.7
219.21129	2.8
223.16859	1.2
237.11229	5.4
243.21104	6.4
261.22156	7.8
293.21863	1.9
293.24884	20.5
293.28128	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	293.2476
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03945	1.9
55.05514	10.2
57.03436	1.0
57.07070	3.5
59.05006	1.0
61.86162	1.3
62.15334	0.9
65.03946	2.4
67.05510	95.4
69.03433	1.3
69.06788	1.0
69.07077	11.5
71.04992	1.6
74.97942	1.0
79.05498	16.5
81.07061	100.0
83.04979	2.1
83.08618	6.5
85.06523	2.2
88.88850	1.0
91.05499	7.7
93.07051	17.3
95.04996	2.3
95.08614	81.1
97.06549	2.4
97.10182	3.8
99.08115	2.1
104.31420	0.9
105.07033	7.1
107.08603	12.5
109.06530	1.7
109.10168	35.2
111.08076	1.5
117.07027	2.8
118.96820	1.1
119.08593	7.0
121.06504	1.1
121.10162	9.8
122.06970	1.0
123.08080	2.4
123.11723	17.7
125.09630	1.7
129.09016	1.1
131.08591	7.9
133.10136	4.1
135.08060	1.2
135.11719	8.3
137.09630	1.2
137.13280	10.4
143.08595	1.0
145.10135	4.9
147.11708	4.0
149.09630	3.9
149.13280	5.2
151.11163	1.9
151.14862	3.6
153.05493	1.3
156.76544	1.0
159.11722	5.5
161.13210	4.8
163.11176	2.7
163.14833	3.1
165.12749	1.3
165.16431	2.1
171.11690	1.4
173.13284	6.2
177.12740	3.2
177.16365	1.9
179.14288	1.4
187.14862	3.9
191.14322	2.5
201.16431	1.2
205.15997	1.1
209.11665	1.7
209.13448	1.2
209.15274	1.6
209.92641	1.1
237.11247	4.1
237.18446	1.4
243.21092	7.9
261.22235	7.2
275.20044	2.6
293.21286	3.2
293.24756	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03931	1.1
55.01868	1.8
55.05516	7.4
56.97757	0.7
57.03439	13.3
57.07071	2.0
60.79435	0.9
63.93939	0.8
67.05182	1.3
67.05510	15.6
69.07065	8.9
70.12833	2.0
71.04988	2.2
76.21423	0.8
79.05063	1.5
79.05492	16.2
79.20059	0.8
81.03451	0.9
81.07059	19.6
83.04982	2.0
83.08621	4.5
85.06506	3.3
85.06971	0.9
91.05489	19.3
93.06488	1.2
93.07051	20.5
95.05003	4.7
95.08609	16.0
97.06493	1.1
97.10184	1.5
98.20800	0.8
99.04452	1.2
105.07032	13.9
107.04940	3.7
107.08582	11.9
109.06532	4.9
109.10164	6.6
111.04371	1.5
115.05453	0.9
117.07000	7.4
119.08595	11.0
121.06503	3.0
121.10161	8.1
123.08059	2.1
123.11678	1.7
125.09653	0.8
129.06993	2.2
130.07764	1.0
131.08562	11.1
133.10136	7.7
135.08078	1.7
135.11716	4.2
137.09625	4.1
143.08565	1.9
145.10150	7.3
147.11664	3.4
149.09627	4.5
149.13255	1.0
151.11151	1.2
157.10072	1.2
159.11658	4.8
161.13336	1.2
173.13297	2.1
183.62283	0.8
185.13264	3.2
191.10626	0.9
197.86928	0.9
201.16370	5.5
203.14410	4.6
209.11752	1.6
219.17444	100.0
220.17828	0.9
221.15355	2.9
237.11305	4.6
247.20367	0.9
257.18997	3.1
275.20087	17.5
293.21332	8.0
295.34967	0.8
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	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.03946	6.0
53.72587	1.7
55.01870	6.3
55.05267	2.3
55.05512	25.0
57.03440	3.3
57.07074	2.4
65.03928	1.9
67.05508	44.4
69.03442	3.6
69.07076	25.8
70.06606	7.1
71.04998	4.4
71.36150	1.7
79.05073	2.9
79.05501	41.9
81.03426	6.9
81.07059	100.0
83.04980	9.1
83.08628	13.2
85.06524	3.9
91.05482	32.9
93.07048	33.0
95.04977	22.0
95.08610	33.7
95.09182	3.1
97.06552	8.0
97.10187	5.7
105.07035	34.7
105.07694	2.9
107.04955	7.7
107.08607	25.9
109.06528	24.8
109.10154	17.2
111.08076	7.2
117.06290	1.9
117.06998	8.5
119.08585	31.8
121.06502	5.3
121.10149	17.1
123.08065	17.5
123.11721	8.8
125.09644	3.9
129.07004	2.6
131.08562	12.5
133.10127	20.2
135.08090	5.2
135.11697	8.5
137.06003	3.4
137.09583	8.8
139.11177	2.4
143.08530	3.5
145.10112	10.7
147.08078	2.4
147.11714	18.7
149.09653	10.4
149.13216	2.4
151.11211	5.4
157.10167	4.6
159.11731	7.4
161.13307	5.4
163.11165	8.4
163.14787	1.7
165.12753	4.0
171.11745	1.7
173.09558	2.1
173.13298	3.2
175.11340	2.1
177.12619	2.1
183.11650	3.3
184.49820	1.8
187.14803	2.4
193.12222	2.1
219.17357	2.9
229.19469	3.4
239.17958	4.1
247.20572	4.8
249.18443	1.7
257.19000	7.4
273.38092	1.6
275.20071	66.6
289.15753	1.9
293.21146	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03943	5.7
55.01876	16.6
55.05511	21.6
55.90644	2.4
57.03452	12.5
61.61562	2.4
67.05505	39.4
69.07067	18.4
71.04994	4.0
71.11796	4.6
79.05075	3.3
79.05496	48.0
81.03414	9.9
81.07063	45.4
83.04993	4.6
83.08635	11.9
85.06551	5.6
91.05488	42.8
93.06480	4.0
93.07047	38.7
95.04989	14.2
95.08607	24.8
97.06548	19.6
97.10189	11.2
105.07045	45.9
107.04945	9.8
107.08601	54.3
109.06525	12.8
109.10173	14.0
117.07049	13.1
119.06079	3.1
119.08583	33.9
119.18362	2.0
121.06479	5.0
121.10140	14.8
123.08037	7.3
123.11705	5.7
125.09642	11.9
129.07042	5.5
131.08571	20.5
133.06548	2.5
133.10136	22.1
135.08025	4.2
135.11707	10.5
137.09604	5.1
143.08615	4.6
145.10129	18.1
147.11685	16.6
149.09616	19.8
149.13261	3.0
151.11154	6.5
157.10135	6.4
159.11732	14.7
161.13290	7.9
163.11206	7.6
165.09094	7.4
169.10162	7.2
171.10239	2.3
171.11696	3.1
173.09645	3.1
173.13269	7.5
177.05441	10.9
177.12688	3.2
178.06236	5.2
183.11678	3.7
185.13217	10.0
187.11121	6.2
189.11208	6.7
197.13385	4.6
199.14804	2.2
201.16423	2.4
203.14346	9.1
215.10756	2.4
219.17467	28.1
221.15411	8.1
229.19597	5.2
233.11717	9.0
239.17958	4.7
247.20638	7.0
257.18997	16.6
275.20071	100.0
293.08624	2.6
293.21167	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	293.2113
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
55.01881	21.7
55.05276	5.1
55.05517	64.2
57.03450	6.0
67.05513	46.6
69.07072	9.3
70.75398	10.1
70.75737	4.6
71.05006	4.6
72.42035	3.7
79.05498	96.9
80.17680	3.3
81.07067	34.7
82.54388	3.6
83.04994	11.2
83.08620	23.5
87.09924	3.7
91.05489	37.9
93.07063	50.8
95.04968	12.5
95.08607	10.6
96.93307	3.9
97.06557	25.8
97.10184	32.6
105.07056	32.0
107.04967	50.4
107.08605	73.9
109.10159	22.8
117.07018	7.0
119.08603	23.4
121.10169	16.6
123.11714	5.6
125.09647	41.3
129.07069	5.8
131.08560	10.4
133.10155	26.6
135.06970	3.7
135.08037	9.1
145.10124	8.9
147.11687	14.8
149.09639	98.1
153.09163	5.5
159.11700	7.3
171.10164	6.5
173.13193	8.4
189.11230	23.8
229.19577	9.3
233.15215	4.5
247.20755	7.5
257.19022	16.2
275.20126	100.0
276.20331	5.3
293.21136	10.1
306.62991	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	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.85663	1.1
53.03941	2.3
55.01870	3.5
55.05513	12.6
57.03439	1.2
57.07063	2.0
65.03919	1.1
65.67835	1.0
67.05509	26.3
69.03420	2.0
69.07071	17.1
70.95846	2.5
71.04984	2.6
79.05495	18.2
81.07060	30.5
81.57676	1.0
83.04996	7.3
83.08621	4.5
91.05485	18.5
93.07047	21.1
95.04955	8.5
95.08608	15.9
97.06560	2.7
97.10175	2.6
105.07038	23.0
107.04953	5.1
107.08603	14.0
109.06542	8.4
109.10172	6.6
117.07011	5.9
119.08590	11.3
121.06512	8.0
121.10147	6.4
123.08054	4.6
123.11709	3.8
126.55807	1.0
129.07071	1.0
131.08574	12.9
132.89166	1.1
133.06499	2.6
133.10136	16.5
135.08066	4.1
135.11702	3.3
137.09663	2.9
143.08557	2.0
145.06509	1.9
145.10123	9.5
147.08070	2.0
147.11702	10.8
149.09633	4.4
149.13200	1.7
151.11169	7.2
155.08542	1.2
157.10115	2.7
159.08130	1.0
159.11693	5.7
161.09575	3.1
161.13293	3.0
163.11189	4.3
169.10208	1.3
171.11684	2.7
173.09660	1.8
173.13258	4.4
177.12823	2.4
183.11713	3.0
187.11137	1.4
187.14890	1.1
189.12758	2.1
191.14297	2.2
197.13254	2.4
201.12730	3.1
205.19690	1.2
207.13835	3.4
214.86617	1.2
218.66524	1.2
219.13742	5.9
229.19482	1.9
239.17978	4.7
247.20518	3.2
257.19031	14.2
275.20081	100.0
276.20236	1.9
293.21118	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	293.2114
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.03941	4.0
55.01875	9.2
55.05517	19.9
57.03428	5.7
57.07065	4.8
65.03928	4.3
67.05506	53.0
69.03421	2.2
69.07073	27.7
69.24651	3.5
69.25058	13.4
71.04990	3.3
79.05494	48.4
81.03402	6.3
81.07061	100.0
83.04972	6.7
83.08607	12.1
85.06535	3.9
88.93712	2.0
91.05486	40.8
93.07050	35.4
93.68328	1.5
95.04967	19.9
95.08612	41.8
96.40566	2.0
97.06525	7.3
97.10138	4.3
99.08110	2.1
102.70428	2.1
105.07034	39.1
107.04975	8.9
107.08605	32.0
109.06515	28.5
109.10163	26.6
111.08090	6.6
115.05404	1.9
115.07533	2.0
117.07048	10.4
119.08588	44.9
121.06482	5.8
121.10148	15.7
123.08064	12.4
123.11720	5.2
125.09646	4.4
129.07028	3.9
131.08557	15.7
132.43846	1.7
133.10138	29.2
135.08073	8.4
135.11684	5.7
137.09633	9.1
137.13225	2.3
141.01051	2.2
143.08623	2.9
145.10135	14.4
147.08058	2.5
147.11681	16.5
149.09607	11.3
149.13280	4.7
151.11154	10.8
155.08563	2.9
157.10146	5.1
159.11710	12.4
161.09579	3.0
161.13268	5.4
163.11166	6.6
165.12729	4.0
169.10104	3.5
171.11705	4.0
173.09653	2.5
173.13287	5.5
175.11179	4.9
183.11716	5.3
185.09676	1.8
185.13319	2.1
187.14816	2.5
189.07004	1.9
193.12172	2.6
197.07335	4.8
197.13354	2.2
199.11163	3.1
201.12849	2.9
207.11601	2.8
209.13322	3.3
221.13277	3.1
222.10474	2.5
223.11279	9.3
229.19563	3.2
235.14713	1.8
237.12671	6.7
239.17896	4.1
247.20634	7.5
249.48303	2.0
251.14339	5.5
257.18976	8.1
275.20087	63.2
293.18750	19.6
293.21713	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.01868	4.3
55.05515	8.0
57.03443	26.2
59.04996	1.2
65.03952	1.3
67.05512	11.4
69.03436	6.8
69.07061	6.1
70.41232	2.5
70.41602	2.5
71.05001	36.8
79.05492	15.5
81.03412	2.0
81.07066	14.7
83.04980	2.3
83.08607	2.7
85.06547	3.5
91.05495	19.5
93.07052	8.4
95.04967	13.5
95.08630	7.7
97.02899	6.7
97.06531	14.1
97.10156	2.1
99.04453	3.0
99.08122	1.9
103.05466	1.6
105.04516	1.7
105.07037	13.6
105.86311	1.1
107.04966	3.3
107.08598	13.8
109.06520	7.3
109.10154	6.9
111.08086	3.5
115.05473	4.5
117.07035	9.9
119.04935	8.6
119.08590	9.7
121.06493	7.0
121.10129	3.7
123.08052	3.1
125.06003	10.7
125.09622	1.7
127.11204	100.0
128.06233	3.8
129.06992	5.7
129.56876	1.2
130.07793	2.0
131.08553	8.4
133.06509	3.8
133.10132	4.1
135.04462	1.4
135.08063	5.8
135.11700	2.3
137.05983	5.3
137.09615	2.1
141.06999	3.5
143.08580	5.9
145.06500	3.9
145.10109	8.6
147.04456	3.2
147.08041	5.1
147.11693	3.5
149.06004	2.0
149.09628	5.1
151.03935	2.0
151.07570	4.5
151.11240	1.8
154.07790	3.5
155.08600	4.4
156.09332	1.1
157.06544	1.4
157.10170	2.9
158.07317	2.3
159.08093	6.2
159.11745	5.9
161.05974	1.3
161.09654	2.3
163.07567	5.1
163.11241	1.8
165.05499	4.5
165.09195	2.0
167.07072	4.0
169.10185	6.0
171.08064	4.1
171.11778	1.5
172.08832	2.7
173.09590	10.0
173.13252	1.4
175.07501	2.7
177.05569	2.6
177.09117	7.4
179.07094	1.9
179.08545	1.4
179.10741	1.3
181.08711	1.6
181.10310	1.2
182.07167	1.5
187.07549	2.3
187.11212	7.1
189.09161	2.5
191.07089	2.9
191.10701	1.9
193.08658	5.4
197.08040	2.4
197.09651	6.8
199.11176	1.4
201.09132	3.4
205.08614	3.7
205.12321	2.4
207.06541	3.6
207.11905	1.6
215.10707	10.8
215.14352	3.2
219.10097	7.0
221.08154	1.8
225.09071	3.1
233.11792	4.1
233.15327	4.7
237.09352	1.3
243.10106	6.3
247.13385	1.9
249.11292	6.3
257.18860	1.3
261.11188	6.1
275.12799	3.8
275.17090	1.8
275.20132	12.6
293.14096	8.2
293.17545	1.0
293.21362	5.4
293.27887	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
63.41097	0.9
67.55123	0.9
69.15340	2.4
69.15743	8.7
69.66058	0.9
70.29038	0.9
74.09712	1.5
94.93021	7.7
104.72556	1.0
112.71694	1.3
112.89605	1.9
117.39101	0.9
118.08655	4.1
127.33967	1.0
132.02122	47.7
143.01891	1.4
145.03465	2.3
156.04219	15.1
161.02957	3.1
176.01108	100.0
176.12772	1.6
194.04245	5.5
203.04008	1.7
218.88617	4.4
249.12140	2.1
293.06393	19.6
293.11090	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	293.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71861	4.5
53.03944	6.8
53.51429	5.3
55.01873	10.9
55.05516	28.2
56.62828	6.1
58.95414	4.3
67.05501	20.3
69.03443	10.0
69.07080	9.4
71.04999	9.5
71.50163	7.2
79.05499	29.8
81.03415	8.0
81.07076	27.9
83.04992	58.6
84.01346	4.8
91.05495	46.4
93.07061	27.4
95.04951	10.5
95.08621	11.2
97.06477	10.5
98.46809	4.8
99.04471	19.0
103.05470	6.0
105.07051	48.5
107.04981	15.2
107.08599	16.7
109.06526	22.4
115.05481	16.4
117.03389	22.8
117.07024	26.6
119.08613	22.3
121.06508	9.2
121.10176	8.3
121.21789	4.4
121.95036	5.3
123.04412	6.9
123.08054	10.5
127.03894	7.5
128.06224	45.2
129.06992	43.7
131.04877	12.8
131.08557	37.7
133.06514	15.2
133.10152	11.2
135.04448	10.9
137.06061	7.9
141.07047	29.6
142.07793	29.0
143.08553	49.4
144.09349	6.3
145.06511	29.6
145.10109	24.0
147.04381	5.8
147.08000	7.3
149.02327	32.5
149.06009	15.6
153.07010	18.2
154.07814	37.4
155.06004	8.2
155.08568	64.2
157.06529	20.7
157.10143	34.3
159.04430	15.4
159.08115	15.6
159.11737	26.2
161.06000	20.3
161.09674	7.3
163.03860	8.1
163.07494	6.7
165.07047	7.2
167.08601	13.9
169.06483	10.0
169.10123	75.9
171.08093	37.5
171.11664	9.5
172.08762	5.1
173.06004	24.9
173.09650	18.9
177.05511	19.6
178.07826	5.9
179.08591	18.5
182.07266	14.1
183.08086	14.4
185.09624	81.3
187.07549	16.6
187.11220	45.6
189.09258	7.1
197.09631	80.2
199.07568	35.2
199.11235	8.6
201.09152	21.6
203.10625	9.2
205.04994	6.7
205.12201	7.0
213.09151	21.2
215.10701	93.5
217.08649	10.9
221.08128	5.4
225.09126	36.8
229.12302	10.4
233.11801	14.9
243.10173	100.0
245.11777	93.8
247.13327	14.1
257.11758	9.2
261.11276	37.7
275.12683	28.4
275.20135	6.3
279.05148	19.3
293.11212	10.3
293.14261	10.1
293.21185	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	293.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12840	2.6
54.42015	2.2
56.96570	21.9
57.03423	4.3
61.02906	2.9
69.03416	7.3
69.21930	2.2
70.06586	3.9
70.17413	8.9
71.95260	3.2
73.02911	5.0
73.92252	2.4
77.00897	3.6
77.32639	2.2
79.05454	2.6
82.99862	6.9
84.04501	2.7
84.08143	5.6
84.48485	2.3
84.96049	3.3
85.02901	13.3
97.02880	7.5
98.06065	2.5
98.97592	23.4
100.99123	3.2
101.00880	48.8
102.00939	2.3
103.00652	11.6
103.01205	2.4
109.02893	2.6
110.97549	8.0
112.99125	4.5
113.00863	8.2
115.00633	3.8
115.02444	6.9
116.98611	9.2
117.02166	5.2
119.01923	53.9
121.01667	9.4
122.01488	2.9
127.02416	14.3
128.98587	8.2
129.02148	4.1
129.10239	2.7
131.00153	5.0
131.01881	22.9
132.02046	2.9
133.01643	13.1
133.03462	13.8
134.99655	2.9
135.03232	15.0
135.04082	2.7
135.91322	2.3
137.02943	5.5
137.89076	2.2
139.02509	4.1
142.01117	2.4
143.00201	5.0
143.01901	55.0
145.01711	4.4
145.03476	45.8
146.99606	4.8
147.03192	8.8
149.01173	2.7
149.02940	4.3
151.02750	4.7
151.04495	2.7
153.04274	3.1
155.01884	15.0
156.01962	2.5
156.98053	2.9
157.01724	6.9
157.03470	29.3
159.01311	2.8
159.03221	6.3
159.05009	3.3
160.02164	4.3
161.01436	4.2
161.02959	100.0
163.02652	6.7
163.04617	4.4
167.01892	2.6
171.03436	2.7
171.04993	2.6
172.97534	3.6
173.01413	3.8
173.02953	34.3
175.02763	11.4
175.04514	16.5
177.00742	6.0
177.02316	3.0
179.02200	11.3
185.03021	6.5
187.02718	7.5
187.04469	8.4
188.97081	3.0
189.02473	4.8
189.04161	5.6
190.98572	5.9
191.02411	4.7
191.04015	23.0
193.00241	5.1
193.03809	10.2
193.05533	3.9
197.02992	2.5
201.00714	4.3
201.02446	3.5
203.02200	9.0
203.04007	40.5
205.03799	21.2
209.04761	3.1
211.06651	8.2
215.00453	3.2
215.02217	4.0
215.04007	5.4
217.03741	6.2
219.01770	4.9
221.03220	9.9
221.05183	12.5
223.04871	5.6
227.04019	3.0
231.07262	2.6
232.99632	5.8
233.02992	11.9
233.05032	10.8
235.04869	3.2
237.02728	4.0
239.06223	13.3
245.05096	4.2
247.06656	4.8
251.00632	4.6
251.01942	3.0
251.04224	27.6
263.06171	7.2
269.05414	6.4
270.08020	2.7
275.06061	15.9
275.09555	3.6
293.07074	37.8
293.10867	7.9
311.06531	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12840	2.6
54.42015	2.2
56.96570	21.9
57.03423	4.3
61.02906	2.9
69.03416	7.3
69.21930	2.2
70.06586	3.9
70.17413	8.9
71.95260	3.2
73.02911	5.0
73.92252	2.4
77.00897	3.6
77.32639	2.2
79.05454	2.6
82.99862	6.9
84.04501	2.7
84.08143	5.6
84.48485	2.3
84.96049	3.3
85.02901	13.3
97.02880	7.5
98.06065	2.5
98.97592	23.4
100.99123	3.2
101.00880	48.8
102.00939	2.3
103.00652	11.6
103.01205	2.4
109.02893	2.6
110.97549	8.0
112.99125	4.5
113.00863	8.2
115.00633	3.8
115.02444	6.9
116.98611	9.2
117.02166	5.2
119.01923	53.9
121.01667	9.4
122.01488	2.9
127.02416	14.3
128.98587	8.2
129.02148	4.1
129.10239	2.7
131.00153	5.0
131.01881	22.9
132.02046	2.9
133.01643	13.1
133.03462	13.8
134.99655	2.9
135.03232	15.0
135.04082	2.7
135.91322	2.3
137.02943	5.5
137.89076	2.2
139.02509	4.1
142.01117	2.4
143.00201	5.0
143.01901	55.0
145.01711	4.4
145.03476	45.8
146.99606	4.8
147.03192	8.8
149.01173	2.7
149.02940	4.3
151.02750	4.7
151.04495	2.7
153.04274	3.1
155.01884	15.0
156.01962	2.5
156.98053	2.9
157.01724	6.9
157.03470	29.3
159.01311	2.8
159.03221	6.3
159.05009	3.3
160.02164	4.3
161.01436	4.2
161.02959	100.0
163.02652	6.7
163.04617	4.4
167.01892	2.6
171.03436	2.7
171.04993	2.6
172.97534	3.6
173.01413	3.8
173.02953	34.3
175.02763	11.4
175.04514	16.5
177.00742	6.0
177.02316	3.0
179.02200	11.3
185.03021	6.5
187.02718	7.5
187.04469	8.4
188.97081	3.0
189.02473	4.8
189.04161	5.6
190.98572	5.9
191.02411	4.7
191.04015	23.0
193.00241	5.1
193.03809	10.2
193.05533	3.9
197.02992	2.5
201.00714	4.3
201.02446	3.5
203.02200	9.0
203.04007	40.5
205.03799	21.2
209.04761	3.1
211.06651	8.2
215.00453	3.2
215.02217	4.0
215.04007	5.4
217.03741	6.2
219.01770	4.9
221.03220	9.9
221.05183	12.5
223.04871	5.6
227.04019	3.0
231.07262	2.6
232.99632	5.8
233.02992	11.9
233.05032	10.8
235.04869	3.2
237.02728	4.0
239.06223	13.3
245.05096	4.2
247.06656	4.8
251.00632	4.6
251.01942	3.0
251.04224	27.6
263.06171	7.2
269.05414	6.4
270.08020	2.7
275.06061	15.9
275.09555	3.6
293.07074	37.8
293.10867	7.9
311.06531	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52489	3.7
58.73581	4.1
70.24139	15.9
74.66699	4.0
94.93012	49.1
97.15340	4.0
98.21455	4.1
101.00883	19.4
114.41139	4.9
118.08675	8.6
119.01918	21.1
127.02409	5.2
131.00294	4.1
132.02126	48.9
133.03485	5.5
143.01907	43.8
145.03510	23.2
149.95210	4.0
150.95586	13.9
155.01918	11.0
156.04225	16.3
157.03453	9.2
161.02969	47.1
173.02979	23.1
175.04474	7.1
176.01112	100.0
185.03011	4.3
187.02702	4.8
187.04501	4.6
191.04001	11.5
194.94560	10.9
200.42459	4.6
203.04073	17.7
221.05057	7.2
233.05069	6.7
235.17139	4.4
239.06128	5.9
247.06737	4.7
275.06128	5.9
291.49121	4.5
293.06390	96.2
311.63751	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	291.2684
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03947	4.0
55.01868	3.4
55.05270	2.0
55.05516	25.3
57.03442	2.6
57.07081	11.4
59.04998	4.3
65.03945	3.6
67.05509	39.8
69.03436	6.6
69.07073	50.0
69.78403	5.3
70.01206	1.5
71.04998	4.3
71.08643	2.8
79.05498	20.8
81.07063	100.0
83.04971	4.6
83.08624	21.9
85.02921	4.5
85.06538	6.5
91.05492	17.9
93.07054	31.3
95.04978	5.2
95.08616	91.1
97.02895	1.6
97.06551	9.6
97.07070	1.5
97.10182	11.0
98.20808	2.3
99.04465	6.8
99.08118	4.2
103.05493	2.5
105.04532	1.6
105.07037	16.8
107.04945	5.8
107.08605	35.8
109.06525	4.1
109.10165	60.0
111.04448	4.1
111.08071	8.1
111.11700	7.9
113.09632	1.7
113.46387	1.8
115.05485	4.5
117.07019	6.0
119.04924	2.4
119.08595	13.2
121.06523	5.4
121.10146	27.0
123.08115	2.5
123.11720	64.4
125.09661	2.3
125.13249	2.2
128.06219	10.3
129.07013	6.8
131.04962	3.2
131.08597	5.8
133.06491	4.3
133.10146	8.6
135.08066	7.6
135.11684	19.4
137.05971	3.2
137.13275	17.0
139.11195	4.9
141.06979	7.8
142.07790	11.4
143.08582	12.6
145.06516	6.8
145.10106	3.0
147.04416	2.1
147.11696	8.6
149.06004	2.3
149.13269	22.2
151.07565	5.6
151.14813	5.8
152.06216	6.6
153.07025	4.6
153.12755	6.9
154.07802	2.4
155.08574	3.8
157.06512	5.3
157.10141	8.0
159.08037	5.6
161.05994	3.9
161.09665	3.5
161.13277	6.1
163.14838	18.0
165.06998	2.7
167.08574	11.9
169.06544	3.3
169.10135	4.6
170.07298	4.0
171.08072	12.6
173.05980	2.6
173.09584	1.5
175.03923	2.5
175.07561	2.9
175.11223	3.4
175.14839	3.4
177.05489	3.6
177.16379	12.6
179.17987	3.0
185.09650	20.5
187.07578	6.9
189.09128	3.4
189.16370	2.6
191.17992	4.9
195.08092	7.2
197.08043	2.1
197.09698	3.4
199.07582	4.5
199.11197	4.7
201.09135	1.9
202.09892	2.2
203.07024	1.8
203.10608	3.1
203.17963	6.1
205.19504	1.6
213.09140	19.1
215.10672	2.1
217.08672	1.9
217.19569	9.6
227.10634	3.1
229.08652	1.9
231.10175	10.7
241.08600	6.1
245.11772	10.5
255.10223	2.4
259.09711	6.4
273.11218	10.7
273.18640	3.6
273.25702	15.0
291.12491	10.4
291.19577	7.0
291.26831	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	291.2684
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03938	1.8
55.01861	4.6
55.05515	32.8
57.03426	5.8
57.07092	10.8
61.02915	2.4
67.05511	36.2
69.03423	4.7
69.07073	100.0
69.95454	2.5
69.95848	6.0
71.04978	5.2
71.08611	3.6
73.06554	2.6
79.05082	2.0
79.05501	27.7
81.07063	89.5
82.68564	1.7
83.08631	22.8
84.04495	6.0
85.04846	3.3
85.06548	8.8
87.96120	1.6
89.03913	5.3
91.05487	14.2
93.07050	36.0
95.04993	4.3
95.08615	80.4
97.06539	54.1
97.10171	8.6
99.08120	3.2
105.07030	15.9
107.04969	2.5
107.08600	43.8
109.06520	4.8
109.10173	51.3
111.08071	11.9
111.11715	13.7
115.05508	2.1
117.03388	3.7
117.07051	2.4
119.08577	13.3
121.06512	2.5
121.10165	28.4
123.08076	2.6
123.11716	37.1
123.78860	2.2
125.09608	3.8
125.13251	2.6
126.15688	1.7
131.08595	5.3
133.02872	3.8
133.10147	9.5
135.04395	6.7
135.11716	24.9
137.09697	1.8
137.13243	12.4
139.01547	1.7
139.11176	8.4
145.02856	4.2
145.10185	3.8
147.10669	1.8
147.11671	11.6
149.13277	23.5
151.14787	3.2
153.12746	12.6
157.10149	2.8
159.04425	4.9
161.02353	18.9
161.13251	8.7
163.03920	26.3
163.14789	9.8
165.12801	5.1
166.68816	1.6
167.14301	2.3
173.02382	33.1
175.14828	3.9
177.09213	2.0
177.16429	8.8
179.14284	3.2
181.15857	2.1
184.96529	1.6
185.05969	3.8
189.16379	6.3
191.03442	2.9
191.17961	4.2
195.17529	2.3
202.07739	2.9
203.08643	2.2
203.17931	5.0
205.08696	1.9
205.17635	1.9
205.19604	2.9
215.07062	49.7
217.19518	5.5
231.08096	2.8
235.20615	2.8
241.08684	3.7
248.08350	2.3
259.09729	4.1
273.18478	2.3
273.25757	12.4
291.09906	10.2
291.16058	3.6
291.19653	8.8
291.26840	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.232
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03931	3.9
55.05509	18.0
57.07079	2.1
60.80500	1.6
63.20901	1.9
65.03935	1.8
67.05508	37.8
69.07076	14.2
70.46073	1.9
70.46417	6.0
71.08630	2.0
73.06561	2.1
79.05499	70.1
81.06593	2.5
81.07063	50.0
81.21683	1.4
81.76777	1.8
83.08622	9.1
85.06528	3.5
87.08080	1.6
91.05493	26.4
91.06039	3.0
93.07050	100.0
94.55262	1.5
95.04957	3.8
95.08611	38.7
97.06537	2.1
97.10170	4.1
105.04528	2.3
105.07037	15.8
107.07879	3.2
107.08600	58.7
109.06464	2.3
109.10168	15.6
111.08046	4.2
115.07588	1.7
117.07021	2.6
119.08579	13.0
121.10152	48.3
123.11665	2.6
126.31313	1.7
129.06943	2.4
131.08565	6.9
133.10143	13.6
135.08084	3.1
135.10698	3.3
135.11700	52.5
145.10136	4.9
147.11699	9.4
149.09657	3.7
149.13260	31.4
157.10129	2.5
159.11711	3.3
161.13246	9.6
163.11166	3.1
163.14839	11.6
171.11739	3.6
173.13281	2.8
175.14868	8.2
177.12752	3.7
185.13277	3.4
189.12808	2.8
199.14775	2.9
213.16422	2.3
217.19406	2.5
231.17375	1.7
235.16862	2.1
241.19562	3.0
259.20624	7.0
291.19791	5.7
291.23178	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2683
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
50.76184	1.0
53.03942	2.8
55.01864	2.7
55.05515	28.6
57.03424	3.7
57.07078	13.3
57.12339	1.0
61.02916	2.2
67.05510	36.7
69.03419	3.0
69.07073	73.6
70.61414	3.2
71.04979	5.0
71.08627	4.7
71.10759	1.3
73.06527	1.2
79.05499	22.5
81.07063	100.0
83.04984	1.9
83.08151	2.0
83.08625	33.0
84.04473	1.8
85.06541	9.1
85.10173	2.0
91.05489	12.6
93.06482	2.4
93.07049	39.6
95.04967	4.0
95.08614	83.8
97.06535	31.4
97.10168	9.6
98.21436	1.2
99.08067	3.1
105.07040	17.7
106.20534	1.1
107.08602	46.7
109.06512	2.7
109.10158	51.9
111.08080	16.4
111.11727	5.8
111.46873	1.1
113.09644	1.8
117.03394	2.0
117.07036	2.6
119.08578	12.3
121.02864	8.8
121.10152	23.1
123.08061	2.5
123.11713	39.5
125.09601	4.3
125.13304	2.7
131.08551	2.7
133.10152	10.5
135.11696	25.4
135.67918	1.3
137.13266	14.5
139.11206	2.2
145.02847	2.5
145.10143	3.3
147.11703	11.6
149.09578	1.3
149.13277	21.3
151.11148	2.5
151.14833	3.5
153.12733	11.9
159.02933	1.8
161.02371	7.4
161.13258	9.7
163.03918	10.4
163.14850	10.5
165.12750	5.6
167.14340	2.6
173.02370	20.2
175.14871	4.3
177.16367	7.8
179.14343	2.4
189.16393	3.8
191.03526	1.4
191.17970	3.2
193.15942	1.6
203.17944	3.6
205.19537	1.9
215.07036	25.0
217.19539	5.4
219.21193	1.7
231.21039	1.5
233.22626	1.3
235.20576	3.5
245.04628	1.6
247.24260	2.5
259.06049	13.8
259.08643	1.5
259.09833	1.7
273.18472	1.5
273.25781	11.9
291.09601	1.6
291.16116	1.4
291.19553	3.3
291.26831	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40670	1.2
53.03949	6.1
55.01861	1.6
55.05513	18.6
57.03436	1.3
57.07067	3.4
65.03944	1.2
67.05509	38.4
67.30537	0.9
69.03422	1.2
69.06734	1.3
69.07076	17.0
71.05000	1.2
73.06582	1.3
79.05497	75.6
81.07063	48.4
83.04975	1.7
83.08622	8.9
85.06548	3.2
85.77937	0.9
85.88395	1.0
91.05482	29.7
93.07047	100.0
95.04970	4.9
95.08616	30.0
97.06520	3.1
97.10149	5.7
97.85011	0.9
105.04544	2.5
105.07034	17.5
107.08601	58.8
109.06495	2.7
109.10158	12.7
111.08064	2.7
117.07025	4.7
119.06054	1.5
119.08581	15.2
121.06480	1.5
121.10146	47.8
123.08071	2.5
123.11705	5.2
125.09647	1.9
129.06960	2.1
131.08574	6.5
133.10156	14.3
135.08057	2.8
135.11702	58.3
137.09651	1.4
139.11221	1.1
143.08566	3.2
145.00119	1.0
145.10104	6.7
147.11697	10.1
149.09633	4.4
149.13266	36.6
151.07524	1.7
151.11145	1.1
157.10106	2.6
159.11711	5.3
161.09628	1.3
161.12360	0.8
161.13298	7.5
163.11195	2.3
163.14816	10.0
171.11662	3.1
173.13275	3.1
175.11206	2.6
175.14816	4.6
177.12755	3.3
185.13254	3.5
189.12711	3.8
199.14784	2.4
203.14314	2.0
207.13828	1.4
209.15343	2.0
213.16431	1.3
217.15967	1.7
217.19560	2.7
221.15332	2.3
231.17474	1.2
235.16968	2.3
241.19556	3.3
249.18541	5.9
259.20609	7.6
291.19678	6.7
291.23187	59.3
292.23547	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03947	2.9
54.04533	1.4
54.52988	1.6
55.01854	4.0
55.05511	15.7
57.07070	3.0
59.04995	2.3
67.05499	12.8
69.03422	4.0
69.07066	3.9
69.89480	2.7
69.89870	3.5
71.04996	3.2
79.05500	19.0
81.03447	1.8
81.07060	19.9
83.04968	4.6
83.08612	5.6
84.04501	4.7
85.04822	3.4
91.05482	19.1
93.07047	12.4
95.04978	6.8
95.08614	12.7
97.06557	2.5
97.10148	5.7
105.02711	1.5
105.07038	15.3
107.04958	6.7
107.08601	10.6
109.06508	5.0
109.10137	3.3
111.08085	17.1
117.07029	8.1
117.81178	1.5
119.04944	1.4
119.08583	20.2
121.06501	6.3
121.10108	5.2
122.07252	1.7
123.08078	36.6
124.40065	1.4
125.09638	5.0
128.06247	3.3
129.07037	3.0
130.07761	1.9
131.08591	7.3
133.06480	5.9
133.10126	7.9
135.08054	7.1
135.11688	2.7
137.06032	1.5
142.07741	1.6
143.08537	7.2
145.10143	8.5
147.08063	14.1
147.11685	5.4
147.64807	1.5
149.09624	4.0
151.07552	100.0
156.09360	3.1
157.10143	3.6
159.08052	3.1
159.11649	2.3
161.09610	4.7
163.11143	2.8
171.11618	2.9
173.09546	2.0
173.13257	3.2
174.10439	2.3
175.11147	1.7
177.01323	1.4
179.10730	4.7
185.13354	1.8
189.11133	2.5
189.12761	28.1
191.14279	3.1
192.11435	4.6
197.11728	13.1
197.13272	2.9
207.13818	68.7
215.14203	2.1
233.15364	6.1
249.14821	2.8
255.17380	2.8
273.18497	22.0
291.19540	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	291.1957
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.76291	2.5
53.03936	10.9
55.01876	19.7
55.05517	45.0
57.03426	12.6
67.05505	47.7
69.03421	10.2
69.06762	2.5
69.07081	22.3
69.77329	9.8
69.77725	7.7
71.04978	6.3
77.03912	3.5
79.05500	84.0
81.03409	3.5
81.07063	72.1
83.04968	9.4
83.08626	20.5
84.89119	2.8
85.06537	8.0
86.49972	3.8
90.78152	3.3
91.05492	74.7
93.06488	4.1
93.07048	57.4
95.04996	17.0
95.08617	35.7
97.06532	7.0
97.10177	19.0
105.07034	66.4
107.04984	18.9
107.08591	34.1
109.06508	20.6
109.10164	7.9
111.08080	12.4
115.05474	9.1
116.06223	2.7
117.07029	50.6
119.04963	3.0
119.08593	71.3
121.06504	23.2
121.10156	21.3
123.08079	17.1
125.09625	9.7
128.06212	7.4
129.07027	19.2
130.07806	7.1
131.08571	53.4
132.05670	3.6
133.06485	8.9
133.10143	17.2
135.08064	37.1
135.11664	11.5
137.09605	4.5
139.11131	3.5
141.07030	5.7
143.08577	27.8
145.10138	55.0
147.08054	42.5
147.11696	7.5
149.09624	13.6
151.07579	33.6
155.08476	3.0
157.10172	17.6
159.08116	3.1
159.11685	15.3
161.09633	20.3
161.13248	4.9
163.11165	9.5
169.10120	7.7
171.11688	11.1
173.09593	4.4
175.11194	7.9
181.10164	5.2
185.13261	7.2
189.11275	3.4
189.12744	13.3
191.10654	7.1
191.16135	2.8
195.11681	7.0
197.11749	3.3
199.11281	4.8
201.12733	3.2
203.14226	3.2
207.13789	20.1
217.15863	13.0
223.13237	3.5
227.11398	2.9
227.17999	6.1
231.13768	4.8
233.15398	5.6
237.16248	3.9
245.19020	7.7
249.14893	17.4
255.17496	14.2
273.18509	74.6
291.19550	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1957
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.01082	0.4
53.03954	1.5
55.01878	2.3
55.05516	8.3
57.03433	0.7
57.07080	0.5
65.03961	0.6
67.05513	5.8
68.60528	0.3
69.03424	1.2
69.07066	3.4
70.17667	1.1
71.04990	1.1
79.05064	0.6
79.05502	7.4
81.03439	1.0
81.07064	7.3
83.04989	1.6
83.08626	3.1
85.06555	0.5
85.60020	0.3
91.05487	8.0
93.07056	6.8
94.87048	0.3
95.04971	2.5
95.08611	3.4
97.06558	0.7
97.10176	2.8
105.04523	0.5
105.07034	6.2
107.04962	3.1
107.08599	4.9
108.05798	0.5
109.06522	0.9
109.10156	1.4
110.66935	0.3
111.08102	0.7
115.05441	0.5
116.06195	0.6
117.07032	2.0
119.04956	1.3
119.08589	5.1
120.05737	0.8
121.06512	1.8
121.10136	1.7
123.08074	1.5
125.09612	1.5
128.06250	0.5
129.07001	1.9
130.07791	0.7
131.08583	3.3
131.49257	0.3
133.06517	3.8
133.10117	1.7
134.07306	1.0
135.08058	1.4
135.11707	0.9
143.08560	1.6
145.06561	0.5
145.10161	3.0
147.08078	3.7
147.11697	0.7
149.09676	1.5
151.07550	1.2
157.10167	1.1
159.08058	0.5
159.11726	0.9
161.09656	1.0
162.10437	2.0
163.11227	1.0
171.11627	0.4
175.11227	0.9
187.07631	0.3
191.10785	0.3
203.14140	0.4
207.13759	0.5
217.15936	0.3
223.13255	1.1
225.43658	0.3
233.15358	0.6
249.14828	2.2
249.18549	1.3
255.17545	0.5
262.15628	0.5
268.19321	0.3
273.18506	2.9
290.79843	0.4
291.19565	100.0
292.19937	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.01862	1.3
55.05514	5.9
57.07063	2.1
59.04989	2.0
65.03970	1.3
67.05498	3.0
69.03432	2.3
69.07045	0.9
70.74598	1.6
71.04977	2.7
79.05492	6.1
81.07068	6.1
83.04993	2.3
83.08623	7.3
85.06541	2.0
91.05480	5.6
93.07060	9.9
95.04979	4.6
95.08061	1.3
95.08624	14.6
97.06530	3.7
101.80527	1.1
105.07043	7.3
107.04978	9.6
107.08606	5.7
109.06515	7.4
109.10154	2.8
111.08090	39.9
111.10558	1.0
113.05899	0.9
113.09667	0.9
117.06998	1.2
118.34055	0.9
119.08604	8.1
121.06492	2.2
121.10162	3.6
122.07294	2.3
122.97512	1.2
123.08076	34.4
125.09619	2.3
129.06978	1.6
131.08568	4.4
133.06502	2.3
133.10170	7.2
135.08049	4.4
135.11743	2.4
137.09621	1.8
141.05438	1.3
142.07784	1.3
143.08585	1.7
145.10112	4.4
147.08038	2.0
147.11690	3.8
149.09645	5.5
151.07556	100.0
153.09132	0.9
155.10721	1.4
156.09378	1.5
157.10149	4.3
159.08057	2.2
161.09599	1.8
161.13269	1.2
163.11169	3.3
171.11707	2.7
173.09613	1.4
173.13261	4.0
174.10397	1.7
175.11230	3.3
177.09117	2.9
179.10695	5.3
181.12219	1.8
189.12767	26.3
191.14319	7.5
192.11446	3.4
197.11760	13.1
197.13358	1.6
205.12340	1.6
207.13823	62.4
213.16422	1.5
215.14272	3.1
217.12294	3.6
224.48625	1.0
231.17404	1.5
233.15381	26.2
235.13309	2.4
244.61884	0.9
249.18497	1.8
255.17511	2.3
273.18478	4.6
291.19562	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	291.1955
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
52.55221	1.3
53.03946	1.8
55.05511	5.5
57.07069	2.9
59.04993	3.0
67.05502	4.0
68.94664	1.2
69.03429	1.9
69.07079	1.8
70.42320	4.2
71.04995	2.1
73.03547	1.2
74.50086	1.6
79.05489	4.4
81.07057	7.3
83.05006	2.3
83.08606	3.2
85.06551	2.5
91.05486	4.2
93.07047	9.1
93.61452	1.1
95.04962	4.7
95.08614	14.5
97.06524	4.5
105.07045	9.3
107.04934	4.3
107.08587	7.0
109.06533	5.9
109.10162	4.4
111.08088	29.6
113.09624	1.6
117.01453	1.3
119.08585	6.9
121.06499	2.1
121.10155	4.2
122.07305	2.1
123.08073	35.6
131.08556	6.1
133.06482	3.0
133.10132	4.8
135.08080	5.3
135.11705	3.8
137.09641	4.1
140.00926	1.2
141.05336	1.3
143.08595	1.7
145.10126	11.1
147.08051	3.1
147.11700	5.3
149.09641	4.6
151.07552	100.0
156.09358	1.4
157.10162	3.4
159.08098	2.7
159.11711	2.3
161.09662	3.0
161.13257	2.0
163.11188	3.8
169.10141	1.6
171.11703	2.6
173.09724	2.0
173.13286	4.8
174.10440	2.4
175.11238	2.7
177.09076	1.7
179.10693	5.6
187.11264	1.8
189.12741	27.8
191.14304	3.9
192.11502	4.6
197.11751	12.9
197.13303	2.2
203.14409	1.5
207.13805	62.2
211.14989	1.4
213.16293	1.4
215.14374	4.1
217.12279	2.5
231.17470	1.7
233.15352	11.9
235.13223	2.0
255.17415	1.6
273.18515	6.3
291.19586	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1593
Annotation	15-Acetoxy-11beta,13-dihydroziniolide
Peak:m/z	Relative Intensity
53.03938	3.5
55.01880	5.0
55.05507	15.8
56.05034	2.8
57.07072	3.7
59.98391	1.9
61.47768	2.2
67.05502	16.7
69.03426	3.8
69.07068	16.4
69.71841	11.5
71.04988	6.0
71.39143	2.2
79.05494	28.7
81.03416	3.1
81.07059	36.0
83.04986	3.3
83.08611	2.8
88.07623	5.3
89.07957	3.4
91.05480	40.4
93.07050	43.3
95.04966	6.4
95.08604	25.0
97.06528	21.1
97.10172	3.6
103.05485	5.7
105.04571	2.7
105.07036	100.0
107.04984	6.5
107.08589	36.0
109.06528	8.3
109.10154	8.8
111.08099	14.9
115.05473	5.9
116.06213	3.5
117.07036	27.7
119.04907	5.1
119.08582	54.1
121.06501	28.5
121.10163	5.2
123.08057	11.4
123.09178	2.1
127.11176	7.1
128.06227	10.3
129.07008	19.2
130.07864	3.1
131.08574	33.4
133.06412	2.9
133.10130	22.4
135.04419	5.3
135.08060	9.0
137.10748	3.8
142.07751	12.7
143.08566	38.7
144.09344	4.2
145.02940	2.9
145.06488	3.8
145.10130	37.0
147.08125	12.8
147.11694	14.3
149.05991	3.1
149.09612	6.2
151.07556	28.5
155.08583	3.2
156.09317	4.0
157.10126	32.5
159.08083	3.1
159.11705	29.4
161.02357	5.6
161.06026	2.6
161.09656	9.6
161.13251	21.5
163.03860	14.6
163.07565	9.0
163.11185	4.2
165.07040	3.5
169.10039	2.9
170.10893	4.5
171.08037	4.1
171.11688	4.7
173.02336	6.4
173.13365	3.7
175.07529	6.3
175.11206	10.3
175.14842	27.5
180.09348	2.9
185.13251	59.9
187.14851	9.0
189.09154	6.9
189.12723	7.6
195.11726	8.4
197.11748	2.6
203.10683	3.0
203.14317	72.8
205.90623	2.4
207.13802	12.2
213.12752	11.6
215.07047	6.9
231.10207	2.6
231.13782	29.8
233.15431	2.7
243.25200	9.0
249.14890	35.3
249.23247	5.2
259.09644	14.5
273.18503	5.5
280.75269	2.1
291.13025	4.1
291.16013	17.8
291.19580	50.0
291.27148	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	291.1955
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03949	5.0
55.01671	1.7
55.01874	17.0
55.03368	1.6
55.05516	25.6
57.03436	17.1
57.07069	8.2
58.07374	2.3
59.04992	3.7
63.46967	1.9
64.33633	1.8
65.03956	2.1
67.05510	32.6
69.03434	8.6
69.07063	18.0
69.59593	10.9
70.06603	11.5
71.05000	8.8
71.06923	4.1
71.08622	3.8
79.05498	56.1
81.03408	9.0
81.07060	43.0
82.32529	1.8
83.04988	5.7
83.08622	11.5
84.04501	2.0
85.02914	4.5
85.04852	1.9
85.06538	5.1
88.07626	17.0
89.07961	5.1
91.05479	45.2
93.07052	37.1
95.04982	19.5
95.08611	20.0
97.06528	10.3
97.10169	4.9
98.20760	2.1
99.04475	2.1
99.08077	2.4
101.18098	1.9
102.09194	8.9
103.05490	3.3
103.09534	2.8
105.04465	1.9
105.07031	40.2
107.04957	19.1
107.08599	31.0
109.06524	42.8
109.10170	9.9
111.08093	18.7
113.06009	1.9
113.09733	2.3
115.05433	6.6
116.06241	3.0
117.07020	21.7
119.04965	4.1
119.08588	26.1
120.05715	1.9
121.06501	16.4
121.10166	13.0
123.08064	22.2
123.11731	5.2
125.09626	4.3
128.06219	6.9
129.07028	11.5
130.07767	2.5
131.04912	2.7
131.08565	28.5
133.06517	6.7
133.10143	13.3
135.04428	1.9
135.08057	55.3
135.11703	7.0
137.05963	2.8
137.09639	7.4
139.07622	3.1
141.06978	4.6
142.07755	2.6
143.08607	12.4
145.06459	2.9
145.10139	24.8
147.08015	11.9
147.11697	12.0
149.09633	21.8
149.13235	2.3
151.07555	36.9
151.11189	2.1
153.07057	2.6
155.08540	5.8
156.09297	2.2
157.10129	14.6
159.08057	5.7
159.11682	8.7
161.09641	14.8
161.13266	3.9
163.11198	8.8
163.14670	2.0
167.08607	5.1
169.10136	3.4
171.08098	4.0
171.11729	7.4
173.09618	5.1
173.13301	4.5
175.07495	2.3
175.11176	6.8
177.09097	2.7
177.12656	2.0
179.10692	2.7
181.10120	2.5
181.12270	2.2
183.11700	3.2
185.09637	6.4
187.11174	4.5
187.14902	2.2
189.09119	2.2
189.11301	1.9
189.12758	12.3
195.08162	2.3
197.11720	7.8
199.07475	3.1
199.11157	3.2
199.14784	5.3
201.12753	3.2
203.10721	2.4
203.14383	2.5
207.13794	26.0
213.09053	9.2
213.12770	3.1
215.14345	2.7
217.15897	14.6
227.17894	3.0
228.23360	5.2
229.23534	34.1
231.10272	5.6
231.13921	1.9
231.17462	2.6
233.15459	8.9
241.08601	2.2
245.11653	4.0
245.19051	3.4
249.14899	2.2
255.17471	7.5
259.09753	2.9
273.18503	40.7
273.21194	1.7
273.25891	2.4
291.12405	5.4
291.19574	100.0
291.27191	81.5
292.19882	2.1
296.44730	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01861	3.4
55.05513	9.6
57.03445	6.2
57.07072	3.1
59.04992	2.1
61.02925	4.3
67.05503	11.6
69.03430	2.0
69.07069	54.0
69.90878	2.1
69.91276	1.4
71.04978	1.9
71.08632	1.1
71.12157	0.7
77.03944	1.2
79.05071	1.5
79.05497	20.2
80.47168	0.7
81.06589	1.6
81.07059	27.1
83.08629	6.7
85.06551	3.8
87.08105	2.2
89.03914	9.6
91.05475	4.7
93.07047	10.2
95.04964	2.8
95.08614	21.5
97.01012	0.7
97.06534	100.0
97.10173	2.7
99.08115	1.2
101.64162	0.8
103.05497	1.2
105.03408	1.3
105.04570	1.1
105.07034	4.9
107.04950	2.1
107.08598	10.7
109.06512	1.3
109.10159	9.8
111.08096	6.0
111.11721	2.0
115.05474	1.0
117.03388	10.2
117.06909	1.0
119.08572	3.5
121.10173	5.8
123.11694	8.1
128.06232	1.3
129.06996	1.1
129.09140	3.8
131.04936	1.0
131.08540	1.5
133.02861	5.2
133.10117	2.1
135.04425	14.3
135.11703	6.0
137.13260	3.3
139.11156	1.5
139.20074	0.8
145.02846	7.5
145.10167	1.5
147.11676	3.0
149.13191	5.4
151.14758	1.0
153.12735	2.6
157.06516	1.8
158.16310	0.8
159.04430	11.0
161.02342	36.5
161.13188	1.4
163.03912	61.2
163.14857	3.0
165.12840	1.6
167.08531	0.9
169.06509	1.2
173.02353	77.7
175.14819	1.0
177.16347	0.8
185.05956	3.3
186.03142	2.6
187.03914	2.6
187.07555	2.9
191.03381	2.3
191.17873	1.1
203.17838	1.0
213.09102	1.0
215.07031	99.8
216.07480	1.4
217.19502	1.6
231.08046	1.1
233.08163	2.1
241.08585	7.2
248.08359	0.9
259.09683	7.4
273.11197	1.3
273.18500	1.4
273.25781	2.5
291.12805	3.8
291.19696	2.2
291.26804	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	291.1228
Annotation	2-(Acetyloxy)-1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-ethanone
Peak:m/z	Relative Intensity
53.03949	12.0
53.86936	2.8
55.01868	8.7
55.05510	10.3
55.20510	2.7
56.92482	3.4
57.07077	8.8
59.05009	34.7
65.03941	8.9
67.01859	6.8
67.05505	15.5
69.03433	12.2
69.07082	4.6
70.05873	9.0
70.06586	11.3
71.04989	4.2
71.06930	4.0
74.52937	3.3
77.03948	3.5
79.05503	34.1
81.03416	6.0
81.07050	11.8
83.01392	3.2
83.05000	6.4
85.02912	18.1
85.06545	15.1
88.07644	20.3
89.07949	3.4
91.05489	52.6
93.03439	5.1
93.07056	21.7
95.04964	20.0
95.08617	5.4
97.02902	10.4
97.06522	6.7
99.04469	36.9
99.08096	3.8
102.09181	7.6
103.05463	11.1
105.03387	3.2
105.07037	36.5
107.04967	24.9
107.08604	11.5
109.02931	4.4
109.06528	12.9
111.04465	19.4
111.08095	10.2
113.06012	4.1
115.05441	33.7
116.06218	7.2
117.07034	33.3
119.04938	15.6
119.08596	13.5
121.06516	18.0
121.32980	3.2
122.07284	4.2
123.04427	7.8
123.08056	4.4
128.06232	71.8
129.07018	52.5
130.07828	4.8
131.04932	14.5
131.08568	25.2
133.06509	16.4
133.10201	4.3
135.04408	16.4
135.08075	27.3
137.06058	4.4
141.07004	37.5
142.07800	57.7
143.07500	5.4
143.08569	63.8
144.09325	5.4
145.06487	37.9
145.10091	10.6
147.04448	14.8
147.08075	11.6
149.06001	19.8
151.03923	3.2
151.07591	6.4
152.06233	29.8
153.07016	24.9
154.07802	18.0
155.06056	6.6
155.08569	14.9
156.09424	4.1
157.06546	17.6
157.10143	41.8
158.07298	8.8
159.04472	8.5
159.08069	38.0
161.06033	22.9
161.09644	12.8
163.03941	5.4
163.07561	9.9
165.07036	16.0
165.09106	3.7
166.07866	5.5
167.08575	55.6
169.06482	15.4
169.10165	20.6
170.07253	15.9
171.04440	3.9
171.08067	83.4
171.09518	5.1
172.08798	6.8
173.06013	12.8
173.09648	12.3
174.06763	3.2
175.03958	6.8
175.07552	12.0
175.11182	14.1
177.05463	13.8
177.09126	5.7
181.06462	6.5
183.08072	6.5
184.08852	9.8
185.05978	8.0
185.09641	97.2
186.10342	4.2
187.07608	28.4
187.11180	7.5
189.05496	11.1
189.09109	14.9
189.12663	4.3
193.05084	5.1
195.08087	30.9
195.09941	7.1
197.09706	11.6
198.06773	9.5
199.07570	31.5
199.11197	22.1
201.09161	14.0
201.12796	5.3
202.09908	9.2
203.07074	5.0
203.10663	23.5
212.08394	6.4
213.09129	100.0
215.07080	9.5
215.10614	6.4
217.08609	28.5
217.12221	8.4
217.45488	3.7
223.07629	9.3
227.10622	14.9
228.23245	14.4
229.08624	4.7
229.23613	29.3
230.09467	7.9
231.10165	58.2
241.08603	45.5
245.11792	42.2
255.10092	8.9
259.09680	49.1
263.12747	5.0
273.11255	50.0
277.10788	8.1
290.26895	14.4
291.12262	60.8
291.19504	13.8
291.27216	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	58.7
69.03452	19.9
70.06600	20.0
71.03979	25.7
75.45632	12.2
84.96013	26.3
85.02878	25.8
89.38802	14.0
98.97591	97.8
101.00891	100.0
103.00665	15.3
103.02467	16.7
113.00871	23.4
115.02430	31.7
116.98636	28.1
119.01923	75.8
121.01671	13.8
124.99123	26.2
128.98595	16.1
131.01888	70.8
133.03442	66.5
136.77515	12.9
143.00179	35.8
143.01921	31.0
145.03477	59.0
147.01421	17.8
149.02969	20.5
155.01921	31.2
157.03499	39.6
158.99686	16.0
159.01433	28.0
161.01277	17.4
161.02991	48.5
161.44193	13.4
161.53534	13.2
169.03484	16.2
170.99599	18.7
171.01396	23.1
173.02965	84.9
174.99132	22.5
177.00783	21.8
177.02434	32.9
185.02969	31.3
187.04604	21.2
189.00810	21.9
189.02501	32.5
191.04031	32.3
201.02504	47.7
203.04022	94.3
215.04002	30.2
219.01660	15.0
219.03535	47.6
221.05247	30.9
231.03635	82.0
233.05150	35.4
249.04648	82.6
273.04694	12.7
277.03946	13.4
291.05679	28.9
291.08405	97.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69991	1.7
53.03945	4.6
55.01873	11.5
55.05515	26.0
55.33015	1.6
57.03415	2.0
57.07071	8.8
59.05011	16.5
65.03942	3.9
67.01834	1.9
67.05179	3.0
67.05513	38.4
67.53286	1.4
67.60324	1.7
69.03442	11.0
69.07075	47.5
70.05812	4.6
70.06232	3.1
71.04999	5.0
71.08630	4.1
73.06566	2.8
77.03902	1.7
79.05499	32.1
81.03425	3.2
81.07060	100.0
83.04998	5.6
83.08621	24.2
84.04493	3.9
85.02901	12.5
85.06551	15.0
85.10171	2.0
91.05486	37.7
93.03418	2.1
93.07047	37.9
95.04975	12.8
95.08614	82.5
96.86059	1.7
97.02886	4.6
97.06544	11.3
97.10181	9.4
99.04457	22.1
99.08101	5.4
103.05448	8.0
105.04510	1.9
105.07037	36.6
107.04959	12.4
107.08599	36.0
109.06518	10.7
109.10168	50.9
109.78933	1.7
111.04436	9.6
111.08101	12.5
111.11724	5.7
113.06033	1.7
115.05454	19.5
115.33454	1.8
116.06306	3.9
117.07033	20.0
119.05008	8.4
119.05861	1.7
119.08586	17.8
121.06525	16.9
121.10158	20.9
122.07339	2.1
123.04456	5.5
123.08095	3.9
123.11715	46.6
125.05997	3.9
125.09641	3.9
127.03956	2.1
128.06227	33.6
129.07010	34.0
131.04918	6.9
131.08575	17.2
133.06511	8.9
133.10149	12.3
135.04454	4.0
135.08057	14.3
135.11710	17.4
137.05914	2.8
137.13257	17.0
138.06885	1.6
139.07516	2.1
139.11172	4.1
141.06989	21.2
142.07793	31.0
143.04916	2.4
143.08577	47.3
144.05725	2.1
145.06512	19.6
145.10133	8.3
147.04424	8.3
147.08092	7.9
147.11710	10.3
149.05963	6.1
149.13261	20.7
151.07510	9.9
151.14815	2.3
152.06226	14.3
153.07036	12.2
153.12778	7.5
154.07787	13.4
155.06073	3.9
155.07411	1.7
155.08533	10.6
156.05791	1.7
156.09320	1.9
157.06503	13.7
157.10133	28.9
158.07271	5.2
159.04501	3.0
159.08069	20.8
159.11696	4.2
161.05974	14.3
161.09627	6.2
161.13274	7.2
163.03909	2.9
163.07559	6.5
163.14835	13.0
165.06927	9.8
165.12746	2.2
166.07864	2.3
167.08586	26.6
167.14268	2.5
169.06512	11.5
169.08824	2.8
169.10098	11.9
170.07292	9.7
171.08060	39.8
173.05980	7.1
173.09645	6.9
175.03873	5.9
175.07492	8.4
175.11197	8.5
175.14848	2.9
177.05486	8.7
177.09152	5.0
177.16409	6.6
179.08534	3.8
179.17973	2.2
181.06427	2.7
182.07329	2.2
183.08000	4.7
184.08879	4.6
185.06056	3.0
185.09631	54.5
186.10385	2.3
187.07576	21.7
187.11186	4.5
189.05464	6.9
189.09103	9.3
189.12695	2.7
189.16441	3.5
191.07036	2.9
191.17996	3.8
193.05055	5.0
195.08101	17.7
195.09891	3.3
197.05977	3.1
197.08102	4.9
197.09666	7.9
198.06795	5.5
199.07553	14.5
199.11205	12.1
201.09117	8.7
202.09895	7.1
203.06999	2.8
203.10663	16.0
203.18007	4.4
211.07520	2.5
212.08304	3.3
213.09122	60.6
215.07077	5.2
215.10722	5.5
217.08670	13.3
217.12300	5.2
217.19566	7.5
223.07550	5.0
227.10640	8.8
229.08679	4.0
229.12292	2.0
230.09402	4.0
231.10172	31.1
241.08588	26.1
245.11778	30.4
249.11267	3.2
255.10278	5.3
259.09711	16.2
261.11322	3.1
273.11282	24.0
273.18530	4.9
273.25800	14.8
277.10727	5.1
283.66702	1.7
291.12469	29.7
291.19681	8.5
291.26831	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2529
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
51.17628	1.9
53.03931	4.4
53.81980	1.9
55.01845	2.6
55.05520	17.1
57.03422	2.2
57.07056	5.4
59.05008	2.2
67.05193	2.4
67.05511	36.6
69.03402	1.8
69.06738	2.2
69.07077	31.0
70.11395	2.8
70.11747	8.1
71.04993	3.0
79.05499	34.1
81.03403	2.7
81.06606	4.2
81.07064	81.8
83.04977	2.9
83.08630	14.8
85.06531	3.8
91.05486	21.3
93.06496	3.0
93.07055	50.6
95.08618	75.6
97.06514	2.8
97.10159	7.3
99.08137	1.9
105.07034	39.0
107.04948	2.5
107.08602	56.2
109.06497	6.9
109.10164	41.0
111.11691	5.6
117.06981	7.1
119.08595	29.6
121.06474	2.7
121.09351	2.5
121.10157	36.5
123.08071	3.3
123.11712	21.8
125.09642	3.1
127.03967	2.2
127.11242	1.9
129.07088	2.1
130.07826	1.7
131.08600	13.4
133.10149	20.3
135.08067	3.2
135.10878	2.4
135.11729	30.0
137.09615	3.4
137.13239	2.3
139.11174	2.6
143.08582	3.8
145.10147	21.8
147.07976	2.6
147.11697	20.5
148.44885	1.8
149.13261	28.3
151.11127	2.0
159.11711	18.0
161.09584	2.3
161.13268	21.4
163.14845	49.1
165.12740	4.5
171.11630	3.3
173.09599	2.1
173.13220	9.4
175.14864	14.2
177.16458	9.3
179.14241	2.8
187.14864	11.8
189.16342	12.7
191.17909	4.9
200.69815	2.1
201.16400	9.5
203.17931	3.5
213.16328	2.1
215.17926	19.9
219.17503	3.2
229.19463	3.6
233.19052	3.7
243.20992	4.2
261.25812	2.3
267.84589	2.0
271.16953	1.9
271.20798	2.5
271.24219	55.5
274.17099	1.9
274.58331	2.3
289.14917	2.5
289.18481	12.4
289.21658	12.8
289.25229	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2528
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
55.05519	33.2
57.03423	3.4
57.07062	10.9
67.05515	43.2
68.54216	2.9
69.07075	87.3
71.04981	3.3
71.08634	4.3
71.51411	4.2
79.05500	32.5
81.06594	5.2
81.07068	96.1
83.04977	3.4
83.08622	27.2
85.06520	7.9
91.05488	38.9
93.07052	58.2
95.04962	5.2
95.08617	81.8
97.06548	19.2
97.10151	14.3
105.07042	84.0
107.08607	62.1
109.10168	72.2
111.08071	5.2
111.11691	13.4
117.07015	9.0
119.08591	77.8
121.09340	3.8
121.10167	52.8
123.08049	5.1
123.11720	29.3
127.11250	3.9
127.73135	2.9
131.08588	19.8
133.09161	4.5
133.10144	65.0
135.08046	5.1
135.11707	35.9
137.13342	6.7
143.08559	8.1
145.10152	18.9
147.11703	57.1
149.09689	3.9
149.13280	42.7
151.11191	8.8
151.14841	4.5
157.10118	3.8
159.11717	28.6
161.09615	4.7
161.13280	78.2
163.14810	16.5
165.12762	19.9
165.60387	2.7
169.10202	3.3
171.11737	3.3
172.12506	3.2
173.13307	19.3
175.14836	33.0
177.12660	3.6
177.16388	11.6
179.10756	4.2
179.14331	78.8
187.14822	10.5
189.16483	14.2
191.14307	8.6
191.17972	4.9
193.15834	10.7
199.14781	3.2
201.16356	12.2
203.18001	6.4
205.15869	5.7
207.17490	6.7
207.66508	2.8
213.16428	5.0
215.17986	23.3
219.17534	4.6
229.19420	7.8
231.21092	9.3
233.19012	9.1
243.21097	6.0
271.21091	4.4
271.24237	50.1
283.68887	2.8
289.18021	13.8
289.21637	14.1
289.25232	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.8
56.05017	3.1
56.10644	1.7
56.96585	1.8
69.65526	11.7
70.06597	100.0
71.04976	3.4
72.08138	5.7
74.06088	4.9
80.04989	3.2
81.76643	2.0
84.04501	7.7
84.08138	6.4
85.02901	2.0
86.09707	6.9
97.02900	1.8
97.07643	2.2
98.97593	2.0
108.45122	1.7
109.55730	1.8
112.07615	68.5
113.11729	1.7
115.03909	2.5
116.07091	3.6
120.08078	3.3
121.06563	2.7
129.10222	2.6
130.06538	2.5
134.91632	1.8
135.05537	4.4
140.07077	18.1
154.04865	2.2
158.08110	5.4
159.07704	2.3
165.34798	1.8
166.22557	2.2
168.06554	9.6
177.98489	1.9
178.18092	2.1
185.09206	7.9
226.10745	16.1
229.11856	15.6
246.17348	2.2
253.30661	1.7
272.11758	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	289.2528
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	2.7
54.87499	1.4
55.05277	1.5
55.05518	19.2
55.05767	2.8
57.03430	2.7
57.07062	6.4
59.04984	5.0
65.03936	2.8
65.04285	1.2
65.83952	1.4
67.05193	2.8
67.05512	40.7
67.45514	1.6
69.03420	2.1
69.07072	37.5
69.18494	12.5
69.18903	4.1
71.05004	3.0
71.08631	3.0
79.05074	2.3
79.05495	33.2
81.07062	100.0
83.04956	2.8
83.08627	14.2
85.06528	4.4
91.05483	22.0
93.07050	60.1
95.04987	3.7
95.08613	76.2
97.06522	5.0
97.10156	6.7
98.20714	3.3
105.07040	38.8
107.08602	60.7
109.06506	2.7
109.10165	46.9
111.08072	2.4
111.11707	5.8
113.09631	1.9
117.07012	4.2
119.08589	32.3
121.10155	38.7
123.08067	2.9
123.11710	20.8
125.09608	2.5
127.11169	3.0
129.06995	2.9
131.08585	19.2
131.09610	1.9
133.10139	23.6
135.08081	3.2
135.11702	33.6
137.09607	4.3
137.13257	3.7
143.08591	2.9
145.10114	20.0
147.08037	2.8
147.11697	23.3
149.09663	1.7
149.13271	33.8
151.14911	1.6
157.10010	2.0
159.11703	23.0
161.09573	3.4
161.13260	22.8
163.14827	60.9
165.12794	2.6
169.10132	1.9
169.11494	1.8
171.11621	2.7
172.76498	1.7
173.13266	12.1
175.14861	16.0
177.16425	8.1
179.14311	1.4
182.35306	1.5
183.11479	1.7
187.14832	13.2
189.16341	10.6
189.69389	1.6
191.17924	4.1
193.15915	2.6
201.16393	13.7
203.17847	3.6
205.15996	1.6
213.16350	1.8
215.17934	17.0
219.17349	4.5
229.19354	3.2
231.20923	2.5
233.19038	2.8
243.21025	4.9
253.19453	2.1
271.17166	1.9
271.20941	3.1
271.24231	67.4
285.03928	1.4
289.14948	1.9
289.18237	7.6
289.21667	11.4
289.25232	96.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2528
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03947	2.6
55.01871	2.0
55.05271	1.3
55.05516	17.6
56.19648	0.9
57.03425	1.4
57.07078	4.7
59.04996	1.3
61.14852	1.0
65.03935	1.5
67.05515	17.0
69.03432	3.2
69.07076	62.0
69.45638	0.8
70.86877	2.0
70.87216	1.4
71.04981	2.5
79.05502	15.3
81.03432	1.2
81.07066	72.0
83.05003	1.7
83.08632	7.8
84.04502	10.8
85.02906	2.1
85.06534	2.2
91.05501	11.0
93.07057	39.2
95.04998	4.3
95.08620	29.1
95.09138	0.7
95.51022	0.8
97.06535	8.0
97.10190	5.2
98.20901	1.0
105.07044	20.2
107.04966	2.2
107.08604	32.1
109.06542	5.5
109.09472	1.7
109.10165	21.8
111.08111	5.2
111.11737	10.8
117.07035	2.1
119.04896	1.2
119.08595	14.0
121.06481	2.4
121.10168	17.3
123.08111	2.0
123.11720	21.1
125.09629	2.3
126.05579	1.8
129.01826	0.8
129.07025	1.0
130.85283	0.9
131.08577	2.5
133.10155	16.1
135.08080	1.5
135.11710	12.7
137.13277	4.1
139.11226	7.6
139.12163	1.2
143.08575	1.0
145.06537	0.9
145.10117	4.8
147.11702	13.3
149.09596	1.8
149.13283	10.5
151.11215	11.2
159.11708	7.2
161.13263	9.2
163.11217	2.5
163.14838	5.7
164.11981	2.7
165.12764	21.8
171.11667	1.2
173.13266	5.6
175.14873	7.5
177.16440	4.7
179.14337	1.8
187.14856	3.7
189.16389	6.2
191.14357	1.5
191.18005	1.5
193.15973	1.5
201.16388	2.5
203.17958	2.4
205.15871	1.4
207.17589	1.2
210.37839	1.1
215.17955	3.9
217.19617	1.1
219.17436	1.3
229.19548	2.1
233.18993	1.4
245.22615	5.1
271.24231	7.3
289.10986	1.1
289.18301	2.5
289.25290	100.0
290.08691	1.3
290.25656	2.4
294.53860	0.8
307.94095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2162
Annotation	Dehydroepiandrosterone
Peak:m/z	Relative Intensity
52.19028	2.1
54.88214	2.1
55.01866	4.7
55.05515	18.7
59.04973	2.8
67.05499	19.7
69.07075	15.5
70.88770	6.3
71.05001	18.9
79.05500	23.3
81.07059	36.4
83.08620	9.5
85.06550	84.2
91.05485	35.3
93.07046	42.7
95.04973	3.2
95.08615	39.1
97.06466	3.3
97.10190	2.9
98.01272	2.2
99.91510	2.7
102.51523	2.9
105.07036	68.7
107.08592	25.7
109.10143	15.0
111.08087	14.9
113.06007	32.4
113.09660	4.8
117.07023	12.4
119.07807	4.1
119.08590	51.8
121.06525	2.5
121.10156	16.8
123.11728	2.6
129.07034	5.7
129.09132	7.3
131.08574	39.7
133.10139	57.0
135.08069	4.6
135.11690	12.3
137.09583	2.6
141.09131	2.6
142.07764	3.4
143.08575	18.3
145.10124	22.7
147.11688	34.3
149.09694	5.8
149.13289	7.5
155.08577	8.3
157.10152	15.5
159.11679	26.7
161.13293	24.0
163.11180	3.3
163.14890	3.0
169.10106	27.3
171.11688	11.3
173.13318	22.0
175.11203	3.2
175.14755	4.0
183.11694	10.0
185.13339	12.2
187.14836	3.8
189.12848	2.9
197.13289	11.1
199.14882	5.6
211.14825	6.4
213.16380	20.2
215.14380	4.9
215.17986	3.6
225.16432	16.5
227.18092	3.5
229.16002	3.8
229.19531	4.3
231.17581	5.9
239.17915	4.8
243.21117	10.7
253.19496	26.4
257.19052	8.4
271.20587	45.9
271.23282	2.9
289.18335	6.3
289.21658	100.0
289.24973	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	289.2526
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03939	3.9
55.05312	2.0
55.05520	20.2
57.03429	5.1
57.07062	7.8
58.10346	3.0
59.04992	3.5
67.05505	42.6
68.08983	2.3
69.03440	2.4
69.07076	18.2
70.04250	2.5
71.04980	5.4
71.51006	4.0
79.05487	24.9
81.07062	96.0
83.04971	7.3
83.08615	11.4
85.06539	12.3
89.07956	3.1
91.05487	33.3
93.07048	50.9
95.04982	4.1
95.08613	100.0
96.08997	2.8
97.06532	4.0
97.10172	9.6
99.08080	4.4
105.07047	42.5
107.04957	8.3
107.08588	44.5
109.06490	4.5
109.10160	48.4
111.11755	4.6
117.07019	10.4
119.05012	3.5
119.08596	40.8
121.06498	4.0
121.10144	33.8
123.08062	5.5
123.11711	27.5
125.09630	3.6
125.78511	2.8
127.11188	4.5
131.08574	17.3
133.06493	5.7
133.10143	34.1
135.04483	3.2
135.08067	6.9
135.11694	34.0
137.05975	3.1
137.13263	7.7
139.11203	4.9
141.06912	4.0
143.08578	3.7
145.10135	20.3
147.08034	4.6
147.11688	23.1
149.09648	3.6
149.13275	33.4
151.11205	2.7
153.12744	4.9
155.08449	2.9
157.10126	3.6
159.08083	3.4
159.11694	14.2
161.09679	4.5
161.13297	30.4
163.07590	3.8
163.11142	4.6
163.14821	13.9
165.12848	5.7
165.35939	2.7
169.43700	3.3
171.08151	3.4
173.09599	2.7
173.13292	9.2
175.11143	3.2
175.14838	30.7
177.13011	3.5
177.16475	3.0
179.07449	2.6
183.11678	3.4
187.14807	7.0
189.16371	36.0
191.17957	4.2
197.13289	2.9
201.16388	10.9
203.17885	3.2
207.17377	3.6
215.18039	12.4
229.19566	4.9
243.21094	6.7
245.22662	3.4
253.19569	4.1
257.19049	3.6
261.18668	3.2
271.16812	3.9
271.20593	7.9
271.24203	74.1
289.18002	29.3
289.21625	34.0
289.25253	50.1
289.29242	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2162
Annotation	Dehydroepiandrosterone
Peak:m/z	Relative Intensity
53.03959	1.3
55.01859	1.6
55.05516	15.8
63.54140	1.3
67.05509	20.8
69.07076	14.1
71.04995	9.0
77.57477	1.4
79.05499	18.1
81.07066	28.4
83.05012	1.9
83.08629	8.6
85.06553	35.6
85.91531	1.4
91.05486	38.4
93.07061	26.4
95.04991	2.9
95.08048	1.0
95.08612	27.5
97.06549	4.5
97.10171	2.9
103.35387	1.4
105.07044	66.7
107.08603	16.4
109.06524	2.0
109.10157	8.9
111.08076	7.6
113.06020	11.8
113.09654	2.0
115.05390	1.7
117.07030	14.8
119.08590	52.4
121.10176	12.5
123.11741	1.9
125.09663	1.5
127.03926	1.6
129.07042	3.2
129.09079	1.9
131.08571	22.9
133.09125	2.4
133.10136	36.8
133.11098	2.2
135.08058	2.1
135.11745	7.1
137.09625	2.2
141.06992	2.5
142.07805	1.6
143.08565	8.5
145.10141	20.9
147.11710	27.7
148.12032	1.7
149.13269	5.6
155.08575	3.7
157.10153	9.8
159.08183	1.7
159.11711	17.6
161.09595	1.8
161.13269	15.0
163.11206	2.5
163.14908	2.4
169.10123	10.2
171.11682	7.4
173.13289	14.2
175.11244	1.9
175.14830	3.9
183.11713	5.3
185.13306	6.6
187.14833	4.8
189.16423	1.9
197.13307	4.8
199.14944	2.4
201.16373	3.2
203.17999	1.9
207.13850	1.9
211.14851	6.6
212.42493	1.4
213.16341	9.7
215.14272	2.5
215.18050	2.8
225.16414	6.1
229.19659	4.2
229.30003	1.6
231.71646	1.7
239.17969	5.5
243.21118	11.4
253.19513	11.3
257.19040	8.2
261.22101	2.5
271.20645	20.1
271.23343	1.7
289.18719	3.6
289.21674	100.0
289.24994	6.6
290.22098	1.6
314.69708	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2163
Annotation	Akolactone B
Peak:m/z	Relative Intensity
53.03946	0.6
55.05515	9.7
56.71796	0.6
57.03431	0.8
57.07074	2.3
67.05510	8.4
69.06741	0.5
69.07074	7.7
70.06606	0.5
71.05000	1.2
71.50719	0.6
71.51097	0.9
76.38835	0.6
79.05498	9.1
81.07059	18.4
83.08627	3.5
85.02928	0.6
85.06522	1.0
91.05479	8.9
93.06483	1.1
93.07047	17.1
95.04988	1.3
95.08614	26.4
95.34803	0.5
97.06522	0.8
97.10163	6.1
105.07043	13.0
107.04972	0.7
107.08600	17.5
109.06527	1.2
109.10159	11.6
111.08107	1.2
111.11703	1.4
113.09617	0.8
117.07050	3.1
119.08585	18.2
121.06503	1.9
121.10158	12.1
123.11720	5.7
125.09641	1.4
127.11187	1.1
129.07037	0.8
131.08569	5.5
133.10152	10.9
135.08076	0.8
135.11696	12.9
137.13252	2.8
139.11189	0.6
143.08566	1.4
145.10135	5.2
147.08006	0.9
147.11688	15.3
149.09648	0.7
149.12091	0.3
149.13266	10.0
151.11174	0.6
151.14827	0.8
155.08546	0.8
157.10190	1.4
159.08098	1.3
159.11720	5.0
161.09656	0.8
161.13264	11.6
163.07607	0.8
163.14833	11.2
165.12758	5.1
169.10201	0.9
171.11732	1.0
173.09784	0.7
173.13266	10.0
175.11195	1.1
175.14825	7.9
177.16408	2.1
179.14313	3.6
183.11749	0.7
187.14835	6.1
189.16393	4.9
191.10735	0.6
191.14339	2.2
193.10526	0.8
193.12241	5.4
197.13358	0.7
201.16396	2.3
203.18031	0.8
205.15965	0.8
207.13826	5.3
211.14738	0.6
215.11024	0.5
215.17972	2.3
219.13826	5.2
219.17456	1.0
229.12125	0.9
229.19524	1.3
231.21053	0.9
233.15411	1.5
243.21094	35.8
244.21529	0.7
245.22678	6.2
247.17081	0.7
253.19621	0.8
261.22165	6.0
271.17325	0.8
271.20599	5.6
271.24203	6.4
272.42783	0.5
289.21643	100.0
289.25049	5.9
289.32224	1.5
290.21906	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1647
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
55.05516	11.3
59.06568	5.1
60.62201	4.6
67.05495	19.6
69.03436	8.1
69.07070	18.6
71.04993	14.4
71.57991	4.6
79.05494	31.1
81.03439	8.9
81.07057	62.4
83.04993	21.7
85.06545	14.0
91.05486	21.7
93.07049	69.4
95.04965	24.3
95.08614	50.5
97.06525	33.2
99.04462	29.8
105.07033	48.2
107.08594	28.3
109.06524	35.4
109.10134	10.1
111.08071	25.5
113.06047	7.4
117.07026	7.8
119.08604	25.1
121.06521	92.5
121.10136	16.8
123.08099	9.0
123.11708	13.7
125.06032	15.8
131.08611	7.0
133.06485	4.9
133.10138	21.3
135.08067	12.6
137.06038	5.3
139.07536	27.4
143.07054	14.4
143.08563	9.4
145.10190	7.6
147.08032	9.3
147.11690	48.3
149.13277	5.8
151.11208	14.5
157.08696	9.9
157.10187	18.8
159.06523	14.7
161.13312	10.2
165.12793	20.4
166.02054	5.0
166.03516	4.9
169.12274	16.8
171.11711	13.6
173.09633	5.6
175.11180	36.0
189.12782	27.0
191.08194	8.1
193.12248	48.5
199.11229	29.1
207.13826	23.9
211.13336	48.5
217.12263	98.5
228.95215	7.2
229.14368	8.0
235.13329	100.0
253.14323	45.4
271.10297	5.5
289.11838	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	289.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01862	1.2
55.05506	3.1
55.58352	0.9
56.96577	6.6
57.03439	2.1
58.55448	1.0
59.05006	2.3
61.02924	3.3
68.05042	1.1
69.03435	5.6
69.07082	1.9
70.06602	5.4
71.05011	4.9
71.06924	1.6
71.49455	1.4
72.08131	1.9
73.02927	1.2
79.05512	3.0
81.03424	2.6
81.04537	7.1
81.07063	9.3
82.05339	2.4
83.06109	1.3
84.04532	1.6
84.08149	4.8
85.02911	8.0
86.09712	2.1
87.08087	1.4
90.94823	1.2
91.05462	1.8
93.07064	0.9
95.06100	13.4
97.02885	4.2
98.97603	7.2
101.00919	2.0
103.05492	1.4
107.05002	1.1
109.02893	2.3
110.86160	0.9
110.97619	1.3
111.05575	28.8
116.98641	2.5
119.01907	2.4
120.08114	1.3
123.05564	24.5
127.03928	100.0
128.04254	1.5
128.98590	1.9
129.10269	1.3
130.06531	2.4
131.01901	2.3
133.03450	1.1
134.99629	1.1
137.05992	3.5
141.06606	37.8
145.03423	1.8
145.04918	1.5
146.99622	1.7
155.01906	1.7
157.07657	3.5
158.06018	2.0
158.99677	1.6
163.12352	1.5
165.00769	2.1
177.00743	1.2
189.00810	1.6
195.42044	1.0
199.08205	1.7
203.08218	2.4
205.03711	0.9
207.01828	1.3
209.12912	2.0
219.01698	1.8
221.05051	1.6
221.12845	8.5
237.02916	1.7
239.13908	14.0
241.15511	4.2
271.16556	36.8
272.99594	1.1
289.08578	2.3
289.12527	17.1
289.17648	12.9
289.20642	1.1
290.12604	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25772	4.1
53.03945	8.5
55.01875	8.6
55.05535	22.3
57.03422	4.9
61.02928	7.4
67.05495	18.7
69.03432	9.7
69.07073	17.5
70.79653	11.9
71.04996	19.9
79.05489	28.8
80.40318	4.7
81.03424	27.5
81.07067	57.5
83.05003	25.7
83.08638	27.1
84.04522	51.3
85.02904	11.2
85.06550	5.6
87.00851	6.6
91.05471	30.7
91.86419	4.3
93.07058	62.3
95.04968	20.2
95.08620	48.2
97.02908	21.4
97.06538	38.2
99.04476	21.8
101.47007	4.2
103.03955	8.0
105.07037	45.8
105.61431	4.1
107.04951	12.1
107.08592	38.0
109.02933	4.7
109.06570	28.4
109.10149	9.2
111.04426	8.2
111.08108	31.7
113.06014	5.5
115.05503	4.8
115.63144	4.5
117.07014	11.0
119.04968	4.5
119.08601	19.9
121.06506	100.0
121.10135	15.6
123.04424	5.0
123.08037	7.7
123.11702	10.6
125.06010	14.5
126.05534	12.1
127.03921	6.0
127.07537	10.0
129.07036	6.4
131.08530	7.8
133.06540	7.1
133.10133	30.7
135.04428	9.1
135.08070	16.9
137.05966	8.0
139.07541	23.1
141.07028	5.0
143.07053	11.6
143.08575	8.7
145.06526	6.0
145.10168	13.2
147.09103	4.9
147.11696	45.4
149.05998	14.0
149.09634	12.8
151.11151	8.4
157.08643	17.7
157.10106	16.5
159.06549	9.6
159.08003	6.9
161.05974	5.4
161.13220	10.9
165.12738	17.4
169.12256	14.6
171.11732	15.5
173.05968	7.9
175.07480	6.6
175.09683	14.4
175.11232	31.6
181.10074	5.5
187.07547	5.1
189.12790	18.9
193.12279	35.3
199.11220	31.1
207.13840	18.0
211.13351	31.9
217.08841	8.7
217.12251	81.3
229.08568	5.9
229.14342	11.1
235.13290	87.8
253.14261	33.5
289.11063	16.9
289.18005	25.7
290.08801	7.0
308.69778	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	289.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.4
54.02595	3.1
55.01868	10.2
55.05508	11.4
56.96568	3.5
57.03428	4.2
67.05511	38.7
69.03421	9.5
69.07069	18.7
69.56888	22.2
71.05000	49.4
77.03893	3.7
79.05498	68.8
81.03412	6.8
81.07059	38.6
81.33975	3.0
83.04986	11.8
83.08625	3.3
84.04513	13.8
85.02896	6.5
85.06535	18.4
87.00819	3.7
87.04466	9.7
87.26835	2.9
91.05495	34.3
93.07049	90.1
95.04971	8.7
95.08607	35.2
97.02908	18.5
97.06555	22.2
98.21520	3.0
98.97615	7.1
101.05979	4.1
103.03994	3.0
103.05470	4.5
105.01881	3.7
105.07034	26.6
107.04958	10.7
107.08617	31.3
109.02888	6.2
109.06535	10.2
109.10143	6.8
111.04466	6.3
111.08073	5.4
115.03938	9.1
115.05475	5.0
117.07024	6.6
119.08611	12.1
121.06515	13.8
121.10151	100.0
123.04382	3.6
123.08094	7.8
124.07629	3.0
125.06039	6.4
127.03990	3.7
129.07043	8.7
131.08591	26.0
133.02896	4.6
133.06512	3.4
133.10121	7.5
135.04416	3.3
135.08063	3.8
137.06001	11.1
137.09680	3.2
139.07524	4.7
139.11189	37.0
147.02954	3.7
147.04436	4.5
147.08075	6.2
147.11720	5.1
148.05031	3.7
149.06001	10.0
149.09610	36.6
152.27402	3.3
157.10149	5.9
157.12256	26.7
161.05945	4.3
163.11134	3.9
164.07089	6.4
167.07048	24.1
167.10674	33.7
169.10199	4.8
173.09607	5.5
185.11778	15.0
189.55452	3.5
191.07033	5.0
191.77550	3.6
193.05046	3.5
197.09796	3.5
211.13432	3.7
217.08543	8.7
217.12285	7.9
219.99364	3.0
235.13333	5.5
271.10318	3.8
271.20752	4.3
289.11261	7.1
289.15222	10.3
289.18085	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1648
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
50.24783	5.5
55.01878	7.2
55.05508	6.4
67.05515	16.9
69.03474	7.1
69.07064	19.3
70.79851	15.8
71.05003	17.6
77.58744	6.6
79.05485	21.7
81.07076	50.2
83.05000	18.9
83.08624	10.0
91.05498	18.3
93.07050	75.3
95.04982	21.9
95.08624	47.3
97.06569	27.4
99.04472	23.9
105.07058	44.9
107.08609	35.8
109.06532	28.1
111.08103	25.9
119.08602	18.8
121.06512	82.5
121.10213	8.7
123.11709	11.2
125.05984	14.4
127.07587	10.2
133.10123	23.6
135.08081	11.8
139.07574	22.2
143.07042	8.6
143.08597	9.0
145.10129	12.0
147.11711	52.9
151.11200	12.5
157.08704	10.5
157.10129	12.8
157.32648	5.6
159.06616	18.9
161.13235	9.7
165.12769	20.4
169.12262	25.3
171.11705	19.9
175.11237	33.8
189.12772	35.4
193.12244	33.3
199.11258	34.6
199.12880	5.6
207.13924	12.1
211.13383	44.2
217.12256	100.0
229.14447	11.9
235.13321	88.9
253.14418	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.107
Annotation	6-Deoxydihydrokalafungin
Peak:m/z	Relative Intensity
50.20574	0.9
50.40462	1.0
53.03942	4.4
55.01878	8.3
55.05504	1.8
57.03443	1.4
65.03946	1.7
67.05500	2.8
68.99767	1.2
69.03431	2.8
69.07049	1.9
69.40398	3.6
69.40823	3.9
71.01344	5.6
71.04988	1.3
74.55119	1.0
75.02007	0.9
79.05485	4.6
81.03424	7.8
81.07049	3.4
83.04992	1.6
84.04523	9.5
85.02914	5.6
87.00845	1.2
91.05499	9.8
91.63569	1.0
93.07036	3.3
95.04970	2.4
95.08605	2.8
97.02898	100.0
98.20670	1.7
99.04443	5.1
103.03916	1.7
103.05466	4.7
105.07024	5.1
107.04970	1.9
107.08588	2.9
109.02881	1.6
109.06516	1.0
109.10155	1.5
111.04449	24.1
115.05467	9.3
116.06260	1.3
117.07034	8.6
118.04112	1.1
119.04967	7.6
119.08640	1.1
119.62157	1.1
121.06513	2.4
121.10184	1.0
123.04398	2.3
126.05527	2.1
128.06253	8.8
129.07013	10.8
131.04945	5.2
131.08594	3.5
132.05670	1.7
133.06499	5.0
133.10110	1.9
135.08035	1.5
138.03056	1.3
139.05446	1.5
141.07005	7.3
143.04913	4.7
143.08560	3.1
144.05730	2.1
145.06488	14.8
145.10051	2.4
146.07298	1.7
147.04430	12.5
147.07997	2.4
149.06038	1.7
152.06166	1.5
153.05481	14.6
153.06998	4.7
154.07764	2.4
155.04948	1.3
155.06073	2.8
155.08577	6.1
157.06496	10.2
158.07292	4.4
159.04416	4.1
159.08054	7.2
159.11729	1.3
160.05196	5.0
161.05989	13.3
162.03172	2.1
162.06804	1.0
163.03935	1.5
164.04703	1.5
165.06995	9.2
167.04953	1.2
167.07072	1.3
167.08578	2.0
168.05748	3.3
169.06465	5.2
170.07297	1.1
171.04401	2.2
171.07986	4.9
172.08868	1.7
173.05977	20.0
173.09645	4.4
174.06740	3.3
175.03951	5.9
175.07561	5.6
176.04648	4.1
177.05493	10.8
178.06235	3.0
179.07045	7.3
179.08496	1.4
181.06494	2.4
182.07207	5.5
183.04385	1.0
183.08041	9.1
184.05180	2.6
185.06003	13.0
186.06723	2.9
187.03865	3.0
187.07567	11.5
188.04669	2.3
189.01840	3.3
189.05508	3.1
189.09119	3.7
190.06262	10.2
191.07022	20.6
193.04912	1.8
193.06674	2.2
193.08621	7.5
197.05981	3.5
197.09613	4.1
199.07550	7.4
200.04675	3.1
201.05473	2.2
201.09099	11.4
202.06267	14.5
203.07030	16.9
204.04218	2.5
204.07744	6.1
205.04996	3.9
205.08617	9.5
210.06760	2.9
211.07513	13.9
213.05516	5.1
214.06233	4.5
215.03401	1.7
215.07130	4.8
215.10660	2.7
216.07806	3.7
217.05194	2.3
217.08609	49.1
218.09349	2.9
219.06609	1.4
219.10150	16.6
220.07298	1.6
225.09108	8.3
227.07063	3.9
228.07680	5.5
229.04984	1.5
229.08618	8.6
230.05751	2.3
231.06569	2.3
231.10164	16.6
233.04401	1.6
233.08025	1.3
238.06303	1.5
239.07039	3.9
243.06448	1.7
243.10214	17.5
245.08069	16.6
246.08934	2.9
247.09726	3.7
248.06805	7.4
253.08629	6.0
256.07388	1.9
257.08179	3.6
261.09039	1.0
261.11307	7.3
271.09665	22.2
274.08502	1.3
289.10739	55.9
289.17911	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	289.0918
Annotation	Dianthoside
Peak:m/z	Relative Intensity
52.68979	0.4
53.03938	0.5
55.01865	0.6
55.05494	0.5
56.96556	1.2
57.03409	0.6
61.02918	1.3
69.03435	1.8
70.06592	1.1
70.74545	1.0
71.04991	1.0
72.08135	0.6
73.02909	0.3
75.80931	0.3
81.03431	0.7
81.04542	1.0
81.07053	1.3
84.08119	0.8
85.02901	6.3
86.09718	0.5
87.04475	0.4
95.06092	1.2
97.02900	2.3
98.97588	1.1
105.26412	0.3
109.02878	1.4
111.05555	3.0
116.98621	0.7
123.05531	2.0
127.03916	100.0
128.04253	0.7
130.06418	0.4
131.01799	0.4
137.05966	0.9
141.06587	4.8
145.04913	0.6
146.99689	1.1
150.70760	0.3
155.39249	0.4
157.07626	1.0
160.99945	0.3
163.79388	0.3
165.00546	0.4
167.80914	0.4
191.97392	0.4
200.01135	0.4
201.06448	0.4
203.08110	0.7
209.12834	0.4
221.12842	0.5
229.93637	0.4
237.02812	0.5
239.13911	1.3
271.16559	3.3
289.12589	3.4
289.17581	1.3
289.20444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.3
56.96563	5.4
57.03440	1.2
57.54416	0.9
58.99869	2.1
60.15305	1.1
69.03429	2.2
70.06592	4.7
70.99849	2.7
71.06934	1.3
71.49255	1.1
71.49641	1.4
72.08211	1.2
81.03402	1.1
82.99828	10.3
84.08144	4.3
85.01410	2.0
85.02915	2.9
86.09702	2.0
87.29317	1.1
89.00908	2.1
97.01401	1.9
97.02879	2.4
98.97585	9.1
101.00891	75.8
103.02460	2.0
110.97602	1.4
113.00880	11.1
115.02439	14.5
116.98634	3.4
119.01930	100.0
120.02021	2.2
123.38837	1.1
126.98820	1.8
127.02452	3.8
127.03975	1.8
127.05048	1.8
128.98682	1.3
129.00351	7.3
129.03979	4.7
129.10263	1.9
131.01915	25.5
132.02002	1.1
133.01730	1.7
133.03477	47.3
137.02953	11.3
140.48154	1.1
143.01906	24.7
144.99860	3.4
145.03471	14.1
146.99670	1.3
147.01399	17.7
147.05084	2.8
149.02969	3.4
151.04524	6.3
153.00339	2.5
155.01833	2.4
157.03473	8.3
158.99776	1.4
159.01392	5.4
161.02971	43.6
162.47377	1.1
163.04503	1.8
168.99825	14.3
169.03516	2.8
171.01399	22.2
172.94310	2.2
173.02953	17.3
174.99402	1.9
175.00905	10.5
175.04607	3.4
177.00919	1.4
177.02434	3.7
179.00665	1.5
180.99883	3.6
185.02979	11.5
187.00905	26.2
187.04521	5.2
189.02466	21.2
190.95313	1.4
191.04048	12.1
196.99448	1.7
199.00880	30.5
199.04509	2.8
201.02472	9.0
203.00504	1.3
203.04010	5.7
204.10738	1.8
205.01984	7.3
207.03488	6.0
215.00334	7.1
216.98648	2.6
217.01961	57.9
219.01927	3.0
219.03627	19.0
225.76970	1.3
227.04092	2.3
229.02022	6.4
229.05573	3.5
231.03566	4.8
233.01425	3.2
234.99677	1.6
235.03069	8.5
247.02983	16.1
258.99905	1.6
259.03232	1.5
264.99237	1.5
265.04016	10.4
277.04037	2.0
289.04126	34.7
289.07452	4.0
307.05161	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2369
Annotation	Retinol
Peak:m/z	Relative Intensity
53.03939	2.1
55.05514	10.8
57.07071	3.2
59.92788	1.4
67.05185	1.6
67.05511	26.1
69.07076	19.9
69.19952	1.2
69.97340	1.7
69.97743	3.6
79.05501	17.9
81.07063	55.1
83.04960	1.5
83.08630	7.3
91.05483	18.9
93.07050	37.9
95.04963	2.6
95.08613	41.5
95.19496	1.1
97.06509	1.7
97.10159	3.7
105.07035	52.9
107.08604	31.1
109.06471	1.7
109.10164	27.4
109.54676	1.2
111.08070	2.3
111.11736	3.4
117.07009	5.5
119.08585	30.0
121.10156	35.1
123.08125	1.6
123.11727	20.5
125.09594	2.2
129.07008	4.2
131.08575	16.9
133.10144	20.8
135.11697	23.4
137.09663	2.6
139.11206	2.3
143.08600	8.6
145.10139	15.6
147.11691	16.9
149.09659	1.7
149.13255	9.4
151.11140	3.1
156.09384	2.1
157.10156	9.7
159.11713	19.6
161.09581	1.9
161.13269	43.6
163.14835	6.0
165.12784	1.7
171.11743	9.5
173.13223	11.0
175.14902	10.8
177.12788	2.2
177.16402	3.7
185.13257	7.5
187.14845	6.8
189.16403	4.0
191.14304	3.8
199.14891	9.3
201.16386	4.2
203.17940	2.7
205.15855	1.9
213.16402	13.8
215.17810	1.7
217.15894	2.5
219.83867	1.4
227.17976	4.8
229.19566	5.2
231.17473	2.8
241.19553	2.7
259.24231	4.3
269.22672	41.7
270.07169	1.4
287.23700	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2371
Annotation	9-cis retinol
Peak:m/z	Relative Intensity
53.03934	4.4
54.37681	1.8
55.05518	11.6
57.03433	4.0
57.07063	6.8
59.04987	4.6
63.00061	2.1
65.03934	2.4
67.05507	27.8
69.03432	4.3
69.07074	34.9
70.22533	2.2
70.22890	7.5
79.05502	24.7
81.07064	71.4
83.04982	6.5
83.08621	7.3
85.06538	5.5
88.81144	1.9
91.05481	21.8
93.07049	80.1
95.04985	2.6
95.08609	58.7
97.06532	4.7
97.10175	2.8
105.07040	47.4
107.08603	51.1
109.06504	4.0
109.10165	46.6
111.08050	3.0
117.07031	7.0
119.07818	3.1
119.08601	43.5
121.06506	3.5
121.10151	70.6
122.70905	2.1
123.08070	3.9
123.11751	15.2
125.06010	3.4
125.09634	4.5
128.06226	2.5
129.07011	6.0
130.07722	2.2
131.08571	18.3
133.06503	3.6
133.10143	28.0
135.11705	43.1
137.09631	2.9
137.13249	4.1
142.07684	3.3
143.08548	12.0
145.10138	25.8
147.04408	2.5
147.08037	2.8
147.11693	29.2
149.13235	13.1
151.11191	3.3
152.01010	2.6
153.45869	2.0
155.08600	2.7
156.09364	2.3
157.10146	14.8
159.11713	19.3
161.13272	25.8
161.15779	2.2
163.11157	4.5
163.14853	4.1
165.12753	4.7
167.03363	6.6
169.10059	3.3
170.02135	2.3
171.11642	14.1
173.09651	5.7
173.13307	11.1
175.14838	14.6
177.06705	3.0
177.16380	4.7
185.13283	12.7
187.07588	5.7
187.11226	3.1
187.14810	8.7
188.08208	4.2
189.09142	16.1
189.16382	8.6
199.14828	11.4
201.09116	3.9
201.16414	7.4
203.10707	22.9
203.14388	3.5
203.17972	2.5
205.15805	2.6
211.14902	2.6
213.16371	19.0
227.17957	8.0
229.19536	7.0
231.12784	2.6
231.17415	6.3
240.36813	2.2
241.19505	8.1
243.13782	13.2
245.15340	2.5
255.10231	3.4
269.15430	2.5
269.19528	4.1
269.22653	66.9
269.25565	3.3
287.05435	2.5
287.09259	4.1
287.13141	4.2
287.16412	37.2
287.19992	16.3
287.23679	100.0
288.28894	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2371
Annotation	Helicallen-16-al
Peak:m/z	Relative Intensity
50.76397	1.0
51.58520	0.9
51.77979	0.9
53.03940	1.1
55.05516	5.9
57.07069	3.1
59.04987	1.6
65.03904	1.2
67.05191	1.3
67.05511	15.8
68.17307	0.9
69.03424	2.6
69.07082	10.2
70.71280	2.5
71.04987	1.5
71.08603	1.6
77.26751	1.0
79.05503	12.2
81.07062	28.4
83.04964	3.1
83.08604	4.3
85.06516	2.2
91.05480	11.4
93.06491	1.9
93.07048	26.9
95.04945	2.5
95.08612	24.3
96.36378	0.9
97.00527	3.0
97.06538	2.4
97.10152	2.5
99.08078	3.3
105.07047	18.8
107.04916	1.4
107.07880	1.6
107.08601	31.8
109.06509	3.4
109.09476	1.7
109.10165	24.2
111.08070	2.0
117.07010	3.4
119.08585	19.3
121.06512	2.4
121.10149	17.3
122.60580	1.0
123.08041	2.4
123.11715	9.9
125.09618	2.8
129.07008	2.7
131.08594	9.5
132.03470	0.9
133.10133	16.3
135.08031	2.8
135.11726	10.1
135.88612	0.9
137.09625	37.8
137.13257	2.6
143.08522	4.4
145.10136	8.8
147.11681	11.7
149.09624	2.1
149.12170	1.7
149.13261	15.4
151.11197	29.8
157.10141	5.0
159.08052	1.2
159.11723	8.0
161.09714	1.8
161.13264	9.7
163.11195	3.0
163.14818	3.6
165.12698	1.4
171.11711	4.9
173.13292	8.6
175.11174	1.5
175.14786	7.6
177.06755	7.0
177.12762	12.0
179.14333	3.2
183.11824	1.2
185.13225	4.8
187.14764	5.1
189.12714	2.1
189.16405	7.2
191.14360	2.8
199.14854	4.9
201.16396	2.0
203.17947	5.8
213.16377	7.9
215.17955	1.5
217.15880	1.9
227.17949	3.2
229.19516	13.1
231.17386	4.3
237.10408	1.0
241.19637	2.2
243.13910	1.3
243.21033	2.2
256.26453	1.0
269.19464	1.7
269.22641	26.6
287.05444	7.0
287.08258	2.1
287.16669	2.5
287.20206	8.0
287.23672	100.0
288.24149	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	287.2369
Annotation	9-cis-Retinol
Peak:m/z	Relative Intensity
52.07208	1.8
53.03935	1.8
55.05514	13.0
57.03424	1.9
57.07074	4.4
65.03919	2.8
65.40762	1.4
67.05172	2.2
67.05505	23.5
69.07076	14.8
69.39864	6.5
69.40285	6.9
71.04996	3.2
71.08633	1.5
79.05491	16.1
81.06594	2.8
81.07059	48.5
83.08610	8.0
83.61162	1.4
91.05482	16.0
93.06493	2.3
93.07049	40.7
95.04984	2.6
95.08615	54.7
97.06528	8.1
97.10155	6.9
97.42663	1.6
99.08112	1.8
105.07030	31.5
107.08595	39.8
109.10153	29.3
111.08055	3.7
111.11698	1.8
113.72788	1.5
115.26261	1.6
116.78762	1.5
117.06982	4.0
119.04874	1.8
119.08574	20.6
121.10146	25.7
123.11715	10.9
125.09631	2.3
126.57012	1.7
129.07027	2.7
131.08566	11.0
133.09129	2.1
133.10141	21.5
135.11702	32.5
137.09615	4.8
137.13245	2.4
143.08563	6.4
145.10161	15.9
147.11684	14.3
149.13263	16.5
149.60707	1.9
151.11215	2.9
155.55830	1.6
156.09224	1.9
157.10123	5.5
159.11699	15.0
161.13292	14.9
163.14818	9.5
165.12820	1.7
171.11761	4.3
172.31198	1.6
173.13287	12.8
175.14795	14.8
177.16412	13.4
183.11647	1.8
183.44839	1.6
184.07430	1.6
185.13229	6.4
187.14836	11.1
189.16342	6.3
191.14339	1.8
195.17415	4.6
199.14804	7.2
201.16441	2.7
203.17938	3.2
213.16347	8.4
227.17920	6.1
229.19522	3.8
231.17444	2.6
241.19565	5.0
243.13797	4.6
243.21004	1.9
259.24136	3.7
269.22668	70.3
287.05472	13.2
287.08356	2.0
287.16550	6.8
287.20255	5.2
287.23682	100.0
287.31259	15.6
288.20010	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.237
Annotation	Helicallenal
Peak:m/z	Relative Intensity
51.02377	0.9
54.09302	0.7
55.05520	7.1
57.03430	1.1
57.07059	2.3
59.04987	1.2
65.03930	1.3
67.05508	18.6
69.03428	1.9
69.07074	11.6
70.01538	3.8
71.04934	1.0
71.08637	1.4
72.08134	0.9
79.05494	12.3
81.07063	36.6
82.15405	0.7
83.04964	2.8
83.08624	5.5
84.03888	0.8
91.05483	11.5
93.07049	31.3
94.07359	0.9
95.04977	3.9
95.08613	31.2
97.06547	1.8
97.10152	2.5
99.08071	2.1
105.07036	19.7
107.05029	0.8
107.08606	33.1
109.06507	3.2
109.10164	29.1
111.08090	2.0
111.11716	1.5
117.07000	3.3
119.06034	0.9
119.08580	15.9
121.10152	18.9
123.08067	2.8
123.11709	11.5
125.09628	3.4
127.96732	0.8
129.06995	2.8
131.08571	10.5
133.06508	0.9
133.10136	16.4
135.08022	1.1
135.11700	13.2
137.09628	46.2
137.13251	3.5
139.11191	1.2
143.08585	4.7
144.09354	1.0
145.10112	10.1
147.04349	1.2
147.11700	10.1
149.09612	1.6
149.13275	17.0
151.11192	44.3
153.01895	1.3
156.09366	1.0
157.10156	5.7
159.11684	9.7
161.09676	1.3
161.13263	10.3
163.11200	3.3
163.14790	3.5
165.12747	1.5
167.03429	1.2
169.10114	1.4
171.11719	5.8
173.09561	0.9
173.13252	8.8
175.14844	6.6
177.06799	1.4
177.12796	8.5
177.16380	2.9
182.01224	0.8
183.11710	1.0
184.66100	0.8
185.13306	4.5
187.11237	1.5
187.14833	4.6
189.09148	1.7
189.12721	1.0
189.16409	5.1
191.14346	2.2
199.14919	5.2
201.09042	2.0
201.16365	2.3
203.10684	1.2
203.14211	2.1
203.18048	4.0
205.15860	1.0
213.16403	7.8
215.14345	0.7
215.17888	1.2
217.15843	1.8
222.93091	0.8
227.17998	2.6
229.19531	9.6
231.17410	2.7
241.19487	5.1
243.13838	4.9
259.24078	1.1
269.15237	0.9
269.22644	24.9
287.05499	11.4
287.08841	1.9
287.13065	1.7
287.16547	6.3
287.20215	6.4
287.23688	100.0
287.30862	5.3
288.24072	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.237
Annotation	13-cis-Retinol
Peak:m/z	Relative Intensity
50.56760	1.0
51.34986	1.1
53.03936	2.6
55.05516	11.0
57.07078	2.2
63.18126	1.0
65.03933	1.5
67.05506	29.1
67.11529	0.9
69.06731	1.7
69.07076	24.6
71.04980	1.9
71.08646	1.2
71.27351	1.0
71.27721	1.9
79.05494	19.2
79.82767	1.1
81.07059	66.8
83.04956	1.2
83.08600	6.5
91.05483	25.0
93.07047	45.6
95.04982	1.8
95.08610	58.3
97.06519	3.1
97.10162	2.6
105.07042	37.8
107.08599	37.0
109.06508	2.7
109.10163	53.0
111.08094	1.5
111.11720	10.2
117.07009	7.2
119.08585	27.2
121.06507	1.1
121.10149	29.8
123.08089	1.9
123.11713	13.8
125.09662	2.5
129.06993	4.4
131.08571	18.4
133.10136	31.5
135.08052	1.1
135.11703	23.8
137.09586	3.5
137.13272	5.2
142.07793	2.6
143.08557	10.8
145.10126	18.1
147.11697	14.4
149.09555	2.2
149.13251	15.8
151.11197	3.6
155.08646	1.1
157.10136	11.8
159.11714	15.2
161.09654	1.2
161.13275	33.2
163.11174	2.0
163.14853	5.9
165.12729	1.5
171.11700	8.9
173.13272	14.1
175.14813	13.4
177.12756	3.7
177.16409	6.4
179.14297	1.9
183.11658	1.2
185.13298	9.2
187.14809	9.3
189.16415	7.8
191.14261	1.8
197.13249	1.5
199.14821	9.3
201.16362	5.8
203.14258	1.5
203.17978	3.0
204.52312	1.0
205.15892	2.5
205.62323	1.0
211.14848	1.5
213.16417	15.2
215.18010	1.3
217.15834	2.0
227.17894	6.0
229.19473	4.7
231.17473	4.6
241.19551	5.2
243.21133	1.9
251.15271	1.2
259.24240	3.9
269.22656	51.7
287.20313	3.2
287.23691	100.0
288.24121	2.3
291.14008	1.1
299.99588	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2371
Annotation	9-cis retinol
Peak:m/z	Relative Intensity
53.03933	2.3
55.05509	9.6
57.07061	3.1
67.05181	2.2
67.05512	24.7
69.07076	13.1
70.15333	6.4
79.05508	16.3
81.07065	73.7
81.17960	1.8
83.08597	5.7
91.05495	16.0
93.07052	33.6
95.04986	1.9
95.08622	52.4
97.06537	4.2
97.10165	3.2
105.07039	39.4
107.08607	38.1
107.94927	1.8
109.06499	3.4
109.10161	29.2
111.07999	1.8
111.11690	3.3
117.06996	8.1
119.08591	27.5
121.10158	29.1
123.08060	4.9
123.11721	12.5
125.09666	3.9
126.87069	1.8
129.07025	4.0
131.08614	15.4
133.10147	25.0
135.08096	2.1
135.11739	15.8
137.09630	2.8
137.13232	2.2
143.08553	9.6
145.10153	21.1
147.11682	26.8
149.09653	2.0
149.13260	15.6
157.10168	9.3
159.11693	21.5
161.13274	20.1
163.11174	4.5
163.14853	13.9
171.11681	6.3
173.13290	17.7
175.14876	11.8
177.12669	2.9
177.16365	3.2
179.14314	1.7
185.13295	9.7
187.14810	13.1
189.16434	8.2
193.15907	2.5
199.14867	12.3
201.16425	14.2
203.18051	3.2
213.16391	17.7
215.17862	3.0
217.15860	3.5
219.17459	3.2
227.17957	8.4
229.19513	20.1
231.17458	5.6
241.19536	5.7
243.13792	2.3
259.24420	2.0
269.22668	55.4
287.23703	100.0
288.24094	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	287.237
Annotation	9-cis retinol
Peak:m/z	Relative Intensity
53.03951	3.8
55.01902	1.7
55.05509	12.5
57.03429	3.4
57.07088	2.8
67.05507	30.3
69.07059	17.1
69.96925	8.8
78.00854	1.7
79.05492	19.1
80.07506	1.8
81.07059	63.9
83.08622	3.8
84.72601	1.6
86.06417	1.6
91.05482	19.6
93.06487	3.3
93.07050	43.2
95.04939	4.0
95.08610	51.9
97.06549	6.2
97.10172	3.9
98.21469	2.5
105.07035	37.6
107.04968	2.3
107.08601	40.0
109.06530	4.2
109.10156	29.3
111.08058	3.7
115.08005	1.7
117.07018	6.4
119.04958	1.8
119.08582	28.9
121.10150	23.5
123.08101	5.2
123.11696	12.6
129.07021	4.7
131.08591	16.6
133.10143	24.4
135.08058	4.3
135.11687	18.8
137.09616	4.2
137.13255	2.2
143.08557	9.4
145.10120	26.8
147.04433	4.1
147.11690	22.9
149.13289	14.9
151.11218	2.0
152.00992	4.5
157.10170	9.9
159.08051	2.3
159.11710	24.7
161.05994	2.0
161.13309	14.8
163.14848	7.6
167.03410	8.4
171.11723	8.6
173.09636	4.6
173.13275	15.5
175.14833	13.0
177.06680	2.6
177.12787	2.7
177.16428	3.2
185.13310	10.0
187.14844	12.3
188.08411	1.9
189.09175	3.8
189.16357	6.7
190.28679	1.9
191.07074	2.7
191.14282	3.7
199.14885	10.9
201.09128	7.3
201.16391	13.5
203.10727	1.9
203.17986	4.7
213.16449	13.5
214.09811	2.1
215.14363	3.5
215.17924	3.4
217.15923	2.9
227.17958	6.1
229.19518	16.3
231.17461	4.8
241.19499	5.9
243.13852	18.4
243.21016	2.7
244.14110	2.1
259.24130	2.7
269.22647	43.3
270.22815	2.1
287.09061	7.7
287.16806	14.9
287.19833	8.3
287.23694	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2007
Annotation	(2E,4E,8E,10E)-Heptadecatetraen-6-yn-1-yn acetate
Peak:m/z	Relative Intensity
55.05511	10.4
57.03423	5.5
57.07077	2.8
65.03912	2.7
67.05502	14.5
69.03399	2.0
69.06583	1.9
69.06705	3.1
69.07073	33.2
71.04980	7.4
71.50962	3.7
71.51372	3.5
79.05491	12.8
81.07059	30.1
83.08611	7.2
85.06577	2.4
90.55654	2.1
91.05473	11.5
93.07036	18.4
95.04962	6.6
95.08616	25.0
97.00555	20.0
97.06520	5.6
99.04449	4.8
99.08105	11.2
105.07035	23.1
107.08591	18.7
109.06511	2.6
109.10168	28.4
111.02096	6.4
111.04469	5.2
111.08090	3.3
113.06004	9.7
117.07019	2.8
119.08591	34.3
121.06493	2.6
121.10123	16.9
123.08081	3.4
123.11710	17.1
125.05965	2.6
129.06970	6.8
130.07726	3.6
131.08577	17.5
133.10133	33.2
135.01999	3.4
135.08119	3.9
135.11703	7.5
137.09621	3.2
143.08578	11.0
145.10129	20.8
147.08032	4.3
147.11693	17.3
149.09608	3.0
149.13261	5.8
149.63234	2.2
151.11203	4.0
155.08548	3.2
156.09331	3.7
157.10118	13.2
159.11687	22.5
161.09648	4.1
161.13239	17.9
163.11166	6.4
169.10214	4.6
171.11734	16.1
173.09587	3.3
173.13301	14.6
175.11195	3.8
175.14833	19.1
177.06766	55.0
183.11792	4.1
185.09619	3.3
185.13240	9.2
187.11133	4.5
187.14819	8.4
188.15633	3.1
189.09056	2.4
189.12708	2.7
189.16399	9.9
191.10692	4.5
195.11740	4.4
199.11182	5.0
199.14803	6.8
201.16397	14.2
203.10674	3.9
205.12273	6.4
213.12801	4.0
213.16455	4.5
217.12347	4.0
221.16699	2.6
225.16461	3.7
227.17973	5.4
229.15884	3.0
231.13824	9.2
241.19499	10.0
241.31712	2.7
243.13745	5.2
245.19054	3.8
259.20703	2.4
259.24292	3.2
269.19046	10.7
269.22556	6.6
287.05423	14.4
287.08139	10.5
287.16528	15.3
287.20047	100.0
287.23590	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	287.1644
Annotation	16alpha-Hydroxyestrone
Peak:m/z	Relative Intensity
55.05491	0.9
57.03443	3.9
57.16729	0.4
58.66428	0.3
67.05498	1.9
69.03396	0.5
69.07022	1.6
69.07362	0.4
70.65013	0.5
70.65356	0.8
79.05458	1.1
81.07021	1.3
88.42284	0.4
91.05457	2.2
93.07001	1.5
95.04916	0.4
95.08636	2.3
97.06506	1.2
98.20869	0.6
105.07040	2.8
107.08582	1.0
109.10130	1.1
117.06997	0.8
119.04955	0.9
119.08537	1.7
121.06454	1.4
129.06969	1.3
131.08531	1.5
132.42516	0.4
133.06555	0.4
133.10086	1.6
135.07994	0.7
135.11731	0.4
141.06981	1.0
142.07751	0.8
143.08575	2.1
145.06479	1.4
145.10129	4.3
147.04469	0.5
147.07982	1.0
147.11703	2.0
148.43340	0.4
152.00925	0.4
153.06970	0.7
154.07709	0.6
155.08508	1.8
156.09299	0.6
157.06471	0.6
157.10110	1.8
158.07281	2.5
159.08087	5.7
159.11705	2.9
160.08798	1.2
161.05989	0.7
161.09569	1.4
161.17816	0.5
167.08539	1.0
168.09222	0.5
169.10107	1.7
171.08072	2.9
171.11714	0.9
172.08862	2.1
173.09633	14.0
174.06793	0.6
174.10347	1.8
175.07501	1.5
181.06479	0.6
181.10132	0.5
182.10905	1.0
184.08835	0.8
185.05980	0.7
185.09595	2.6
185.13148	1.0
186.10402	3.7
187.07590	1.1
187.11194	12.2
188.08325	1.3
189.09116	8.0
190.09775	1.5
191.10622	0.7
195.08032	1.5
195.11710	0.5
196.08835	0.9
197.09569	1.1
197.13283	1.7
198.10338	0.5
199.07553	4.4
199.11197	0.9
199.14745	0.8
200.12001	1.9
201.09151	3.7
203.10635	2.1
207.11723	0.7
210.10342	1.0
211.11220	0.5
213.09189	3.6
213.12807	0.9
213.16258	0.8
214.09932	7.5
215.10783	5.0
215.14326	12.3
225.12729	2.8
227.10660	1.3
227.41676	0.4
228.11484	6.5
229.12094	0.6
241.12332	0.8
241.19574	1.6
243.13823	100.0
244.14229	1.6
254.13084	0.5
269.15497	1.1
269.18939	0.5
287.16455	47.8
287.19949	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	287.1644
Annotation	16alpha-Hydroxyestrone
Peak:m/z	Relative Intensity
53.03944	0.5
55.05507	0.9
57.03445	3.0
58.84536	0.3
67.05487	0.9
69.03422	0.7
69.07082	2.2
70.53319	0.8
70.53712	0.7
73.83344	0.3
79.05492	1.1
81.07060	0.9
83.04966	1.0
91.05481	1.1
93.07031	1.3
95.08602	1.1
97.06526	1.6
105.07031	1.6
107.08571	0.8
117.06982	1.2
119.04956	0.7
119.08562	1.0
121.06480	1.4
121.10128	0.6
128.06198	0.4
129.07014	1.0
130.07762	0.4
131.08551	1.5
133.10132	0.9
135.08038	0.5
142.07800	0.7
143.08607	1.7
145.06473	1.3
145.10123	3.9
147.08046	1.0
155.08549	2.5
156.09387	0.5
157.06557	1.0
157.10176	2.1
158.07286	2.2
159.08078	5.7
159.11700	1.9
160.08806	1.0
161.05946	0.9
161.09607	0.9
163.07503	0.5
167.08585	1.0
168.09227	0.4
169.10129	2.3
170.07387	0.5
171.08061	2.4
171.11703	0.9
172.08829	2.9
173.09633	13.3
174.06770	0.8
174.10408	2.2
175.07536	2.2
175.11238	0.6
181.10100	0.6
182.10890	1.4
183.07957	0.7
185.05952	0.7
185.09644	2.9
186.10382	2.9
187.07562	1.5
187.11194	10.7
187.14764	0.5
188.08350	1.5
189.09119	8.0
190.09889	1.6
191.07060	0.7
191.10710	1.0
195.08070	1.1
196.08856	0.7
197.09636	1.1
197.13301	2.2
199.07549	4.1
199.11244	1.5
200.11942	2.1
201.09103	3.5
203.10687	2.1
207.11760	0.9
210.10388	1.5
213.09123	3.4
213.12843	0.5
214.09894	8.3
214.11954	0.6
215.10764	4.7
215.14323	11.4
222.10490	0.5
225.12747	2.8
226.09944	0.5
226.13435	0.5
227.10710	1.4
228.11455	5.9
239.10780	0.4
241.12173	0.6
241.15811	0.5
241.19574	0.5
243.13828	100.0
244.14145	0.8
266.59122	0.4
269.15396	1.0
269.18997	0.4
269.21915	0.4
287.16440	50.2
288.16766	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1645
Annotation	16alpha-Hydroxyestrone
Peak:m/z	Relative Intensity
53.03936	0.5
55.01867	0.6
55.05493	1.7
57.03439	3.4
57.07061	0.4
58.51540	0.4
67.05505	2.8
69.03419	0.8
69.07074	2.8
70.95876	0.9
79.05509	2.4
81.07062	4.1
83.04990	0.7
91.05479	2.9
93.07039	3.3
95.04968	1.2
95.08610	5.0
97.06528	1.3
105.07033	5.7
107.08611	4.1
109.06521	0.6
109.10165	2.2
110.25116	0.4
117.06998	1.2
119.04901	1.2
119.08600	3.7
121.06507	1.4
121.10137	2.1
123.11685	0.9
128.06236	0.9
129.07022	1.4
130.07768	0.4
131.08583	3.8
133.06488	0.6
133.10161	3.9
135.08093	0.6
135.11696	1.3
137.02332	1.4
138.06467	0.4
140.47238	0.4
142.07790	1.3
143.08597	3.8
144.05701	0.4
144.09354	0.8
145.06465	1.2
145.10132	5.4
147.04413	0.9
147.08066	1.7
147.11693	2.4
149.06015	0.5
149.09610	1.0
152.01033	1.2
153.06976	0.6
155.08568	2.6
156.09387	1.1
157.10175	3.8
158.07266	2.9
158.10905	0.7
159.08066	5.3
159.11711	4.2
160.08804	1.1
161.09657	1.2
161.13263	0.5
165.07022	0.7
167.03430	1.4
167.08540	1.2
168.09315	0.5
169.10220	2.0
170.02385	0.6
170.07265	0.5
170.10977	0.5
171.08055	3.6
171.11719	2.3
172.08827	2.4
173.09647	14.3
173.13222	2.1
174.06741	0.7
174.10413	1.7
175.07597	2.6
175.11176	1.0
176.26544	0.4
177.05460	0.9
179.08629	0.5
179.10745	0.5
181.06517	0.7
181.10091	1.0
182.10956	0.9
183.08031	0.6
183.11763	0.5
185.05971	0.9
185.09618	2.6
185.13292	2.7
186.10434	4.1
186.14017	0.5
187.07610	1.1
187.11188	12.1
187.14803	1.1
188.08342	1.3
189.09113	8.5
190.09840	1.3
191.07085	0.5
191.10660	0.8
193.12227	0.7
195.08058	1.4
195.11717	0.8
196.08876	1.0
197.09676	0.6
197.13196	2.2
198.10374	0.9
199.07530	3.8
199.11174	1.4
199.14894	1.1
200.11993	1.9
201.09090	3.6
203.10799	2.2
203.14262	0.5
207.11768	0.8
209.13304	0.6
210.10416	1.3
213.09100	3.4
213.12738	1.5
213.16331	0.8
214.09904	7.5
215.10785	4.6
215.14325	12.4
225.09207	0.6
225.12752	2.9
227.10616	1.5
228.11484	6.9
240.11768	0.5
241.19519	7.1
243.13829	100.0
244.14153	1.0
269.15463	0.9
269.19031	2.5
287.09784	2.6
287.16443	46.1
287.20013	10.6
288.16837	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.3
55.01861	6.9
55.05516	19.6
57.03447	25.0
57.07067	2.8
58.49759	1.7
59.67847	2.1
65.03940	4.5
67.05174	3.0
67.05512	36.6
69.03435	11.3
69.06803	1.5
69.07079	17.8
71.04990	6.8
71.43302	1.7
71.51015	4.3
76.83318	2.0
77.03903	2.4
79.05502	74.4
81.03407	6.2
81.07068	47.9
83.04987	14.4
83.08602	5.6
85.02905	4.0
85.06549	3.2
87.04456	11.8
91.05495	38.7
93.07050	80.6
95.04971	6.7
95.08620	65.7
97.00542	6.6
97.06533	7.5
97.10184	5.5
99.08105	4.8
100.33263	2.1
101.06016	3.9
101.61665	1.9
105.07037	51.0
107.04963	4.7
107.08601	59.1
109.06501	3.5
109.10160	13.3
111.08093	9.2
115.03929	5.5
116.29085	2.0
117.07029	7.8
119.07298	2.1
119.08606	31.0
121.06518	3.7
121.10152	100.0
123.08051	11.8
123.11729	8.9
128.06252	2.2
129.06999	6.0
131.08585	48.6
133.10126	15.4
135.08095	4.6
135.11711	12.6
139.11163	11.3
142.52426	1.8
143.08575	10.3
145.10161	16.2
147.11679	9.7
149.09631	34.6
149.13293	4.1
151.11212	2.4
153.01723	3.3
157.10165	12.3
159.08061	5.4
159.11690	15.1
161.09650	4.9
161.13292	8.3
167.03383	2.1
167.10703	37.0
171.11694	8.3
173.09607	2.6
173.13283	8.2
175.14777	5.0
177.06769	15.3
177.09132	5.8
185.11757	4.6
185.13274	8.1
187.11139	2.8
187.14870	6.6
195.10155	5.9
199.14850	4.8
201.16409	4.3
211.14893	3.1
213.12843	2.2
213.16417	7.7
227.17917	4.4
229.19525	22.8
231.13805	3.3
241.19446	9.7
243.13873	2.6
247.72359	1.9
259.15359	2.8
263.80432	2.2
269.19058	6.6
269.22647	19.0
287.05399	5.6
287.08301	4.0
287.14838	39.5
287.20053	43.1
287.23685	34.0
287.31122	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	287.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.05526	0.9
57.03435	2.3
58.06607	1.2
69.03427	1.9
70.06585	1.3
71.05018	1.0
71.48754	1.6
72.08153	0.8
78.04723	0.8
79.05137	0.9
79.05499	8.7
81.03415	1.7
81.07054	2.7
91.05487	5.5
93.07041	1.6
95.04955	2.5
95.08587	1.6
103.05476	9.5
104.44318	0.9
105.07043	7.4
106.04167	0.9
107.04962	54.3
109.06506	2.2
111.04490	1.0
115.05420	3.4
120.05749	2.1
121.06504	1.8
122.03632	1.1
123.04400	4.4
124.05214	3.3
125.05985	1.2
131.04903	2.9
133.06488	2.0
135.08066	15.0
137.05988	4.8
139.03926	1.1
145.06519	1.3
145.07564	1.4
147.04440	1.9
149.05977	2.4
150.06775	1.0
151.03966	1.1
151.07596	1.2
152.04695	1.6
154.06218	3.5
163.07550	37.3
165.05455	1.9
165.09160	1.0
167.07062	100.0
168.07768	1.1
174.08870	0.9
180.07846	1.4
181.08615	1.7
189.09163	2.4
193.08582	3.3
195.08112	3.6
195.10168	30.1
195.11900	2.1
201.09128	1.2
211.09663	4.8
212.08238	1.1
212.10237	1.3
213.11227	27.3
223.07594	1.6
227.07079	1.2
227.10753	4.2
255.10188	3.4
269.09341	1.0
276.64117	0.8
287.05411	3.4
287.10220	1.6
287.13058	2.5
287.16681	7.3
287.19839	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.3
55.01861	6.9
55.05516	19.6
57.03447	25.0
57.07067	2.8
58.49759	1.7
59.67847	2.1
65.03940	4.5
67.05174	3.0
67.05512	36.6
69.03435	11.3
69.06803	1.5
69.07079	17.8
71.04990	6.8
71.43302	1.7
71.51015	4.3
76.83318	2.0
77.03903	2.4
79.05502	74.4
81.03407	6.2
81.07068	47.9
83.04987	14.4
83.08602	5.6
85.02905	4.0
85.06549	3.2
87.04456	11.8
91.05495	38.7
93.07050	80.6
95.04971	6.7
95.08620	65.7
97.00542	6.6
97.06533	7.5
97.10184	5.5
99.08105	4.8
100.33263	2.1
101.06016	3.9
101.61665	1.9
105.07037	51.0
107.04963	4.7
107.08601	59.1
109.06501	3.5
109.10160	13.3
111.08093	9.2
115.03929	5.5
116.29085	2.0
117.07029	7.8
119.07298	2.1
119.08606	31.0
121.06518	3.7
121.10152	100.0
123.08051	11.8
123.11729	8.9
128.06252	2.2
129.06999	6.0
131.08585	48.6
133.10126	15.4
135.08095	4.6
135.11711	12.6
139.11163	11.3
142.52426	1.8
143.08575	10.3
145.10161	16.2
147.11679	9.7
149.09631	34.6
149.13293	4.1
151.11212	2.4
153.01723	3.3
157.10165	12.3
159.08061	5.4
159.11690	15.1
161.09650	4.9
161.13292	8.3
167.03383	2.1
167.10703	37.0
171.11694	8.3
173.09607	2.6
173.13283	8.2
175.14777	5.0
177.06769	15.3
177.09132	5.8
185.11757	4.6
185.13274	8.1
187.11139	2.8
187.14870	6.6
195.10155	5.9
199.14850	4.8
201.16409	4.3
211.14893	3.1
213.12843	2.2
213.16417	7.7
227.17917	4.4
229.19525	22.8
231.13805	3.3
241.19446	9.7
243.13873	2.6
247.72359	1.9
259.15359	2.8
263.80432	2.2
269.19058	6.6
269.22647	19.0
287.05399	5.6
287.08301	4.0
287.14838	39.5
287.20053	43.1
287.23685	34.0
287.31122	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	287.1127
Annotation	Isohomoarbutin
Peak:m/z	Relative Intensity
53.03952	2.3
56.96561	6.6
57.03439	9.6
61.02930	8.4
63.00026	3.0
64.99738	2.0
65.03944	9.8
67.05483	1.8
69.71072	5.4
69.71490	3.2
70.06593	7.5
72.08144	2.9
75.04465	9.1
77.49374	1.4
79.05492	19.6
81.07058	3.7
83.04988	1.6
84.04506	1.8
84.08134	4.2
85.02895	3.4
86.09712	3.3
86.68906	1.3
91.05470	5.4
93.03405	11.2
93.07026	2.2
95.01301	1.9
95.04977	5.3
95.08585	1.4
97.02900	2.9
97.06541	2.5
98.97575	2.9
98.98479	2.9
103.05446	1.6
105.07050	2.9
107.04958	25.9
108.02064	1.5
109.06522	2.8
109.47485	1.5
110.03667	25.2
111.04453	17.2
114.05527	3.4
117.03388	1.9
119.08598	2.2
121.02908	1.8
121.06516	10.3
122.03637	4.3
123.04436	4.1
125.05997	100.0
125.10762	2.7
133.02835	12.0
134.03673	1.5
135.04414	28.7
135.08125	1.6
137.05934	7.5
147.04425	1.5
149.05972	21.0
150.03122	8.6
151.03917	85.0
151.05042	9.9
151.07602	1.7
152.04669	2.3
153.05466	7.5
158.99777	1.3
162.03032	2.2
163.03947	10.8
163.07541	5.0
165.05482	28.7
167.07056	20.1
173.01202	1.4
176.91255	1.4
177.05469	27.0
179.48177	1.4
180.04213	9.1
193.05057	2.7
195.06537	18.3
199.09653	6.7
209.59654	1.5
213.07574	11.5
225.07574	9.8
269.10294	3.4
287.05966	7.3
287.11142	30.7
287.15744	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	287.0914
Annotation	Kukulkanin B
Peak:m/z	Relative Intensity
55.01868	0.6
55.05515	1.0
55.97231	0.4
65.03938	1.6
67.05499	1.6
68.02634	0.8
69.07061	1.3
69.15611	1.1
69.16003	4.8
79.05486	1.3
81.07064	2.5
83.04995	1.3
83.08643	0.6
91.05482	11.4
93.03410	0.8
93.07050	2.2
95.04959	1.6
95.08611	2.8
97.06513	0.6
97.10176	0.5
99.87138	0.5
105.07030	2.6
106.00530	0.7
107.01326	1.5
107.04956	0.8
107.08595	2.4
109.10156	1.3
117.07030	0.6
118.65253	0.5
119.04945	23.2
119.08568	2.9
120.05762	1.1
121.02869	1.2
121.06515	0.6
121.10143	1.3
123.00687	0.5
123.04440	1.3
123.11723	0.9
124.01592	4.5
129.07005	0.7
131.08597	1.0
133.10123	1.4
135.11696	1.5
139.03952	2.5
143.08572	0.9
145.10118	2.1
147.04414	48.8
147.11694	1.2
149.09747	0.5
149.13254	0.6
152.01048	55.4
153.01830	3.0
157.06538	0.7
157.10150	1.3
159.08087	0.6
159.11685	2.1
161.13283	0.8
167.03406	100.0
168.03665	0.6
170.02097	10.2
171.11678	0.8
173.13254	0.7
178.02586	1.0
181.06491	1.3
185.09657	0.6
187.11186	0.5
193.04938	0.8
197.06053	0.8
198.06754	0.7
199.07440	0.7
201.16383	1.4
209.05956	1.9
213.16469	0.5
214.12277	1.2
215.10757	0.5
215.14417	0.6
227.07106	1.5
241.08644	1.7
241.19539	0.7
243.13805	4.2
250.53311	0.6
251.06992	1.2
255.06453	2.5
257.04596	0.6
263.46063	0.6
265.62042	0.5
269.08112	2.6
269.12799	1.9
269.22559	1.2
272.06796	1.5
287.05655	4.2
287.09140	77.8
287.12576	3.6
287.16251	2.7
287.19894	1.3
287.23434	4.0
288.09415	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01863	2.7
55.05493	4.7
57.03442	2.6
62.65025	1.5
65.03934	2.0
67.05506	18.4
68.99775	1.6
69.03048	1.6
69.03419	6.9
69.07051	2.9
69.32211	8.6
69.32631	4.4
71.04669	1.8
71.05001	26.3
72.75954	1.4
79.05498	20.5
81.07063	65.0
83.04966	3.5
85.02906	2.7
85.06528	6.1
86.09692	2.7
87.04442	4.9
90.50661	1.6
91.05480	23.6
93.07052	16.6
93.89848	1.5
95.04949	5.2
95.08590	5.8
97.02869	2.6
97.06519	2.7
98.97576	1.6
103.05455	2.3
105.07016	6.2
107.04958	10.2
107.08575	5.7
109.06524	60.0
109.10160	6.6
111.04460	6.2
111.08101	1.9
115.03958	10.7
117.06999	3.1
119.04958	8.4
119.08586	13.1
121.06515	2.9
121.10142	2.4
123.04437	2.6
127.07530	8.3
127.11211	2.6
129.07069	2.2
135.08023	3.8
137.05988	100.0
137.09602	2.8
145.06566	1.8
145.10080	2.2
147.08017	2.7
149.05978	2.9
151.07526	2.4
153.01811	2.2
155.07066	12.0
155.08192	2.3
155.10680	3.4
159.08066	2.1
161.05998	2.7
161.09589	2.8
163.07559	8.8
165.06972	2.3
165.09106	5.4
167.07025	14.7
167.08521	4.8
173.08099	6.9
183.10173	1.7
187.07617	2.8
188.08347	2.3
189.09108	3.5
194.07210	1.5
195.08055	6.5
195.10149	3.4
201.09094	3.8
213.11226	4.3
223.07527	3.2
223.09668	3.7
227.10672	6.4
241.10782	9.6
250.58728	1.6
255.10092	5.2
269.10205	4.9
269.12741	1.6
287.05591	21.4
287.09949	7.7
287.12976	5.3
287.16464	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	287.0211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24123	0.5
57.89442	0.7
61.80645	0.6
71.06273	1.4
72.24599	0.5
82.94870	0.8
82.99868	0.8
98.97579	1.2
101.00909	6.9
102.01013	0.9
102.96881	0.8
103.00667	3.4
116.98690	1.3
119.01920	10.9
120.02040	2.4
121.01671	4.3
121.02432	0.7
134.99847	0.8
137.02940	1.1
140.98857	0.6
142.98549	0.7
158.99908	2.2
160.99706	2.3
161.99806	2.1
168.99887	0.7
172.94429	0.7
177.00977	9.4
177.35063	0.6
178.01103	1.3
179.00700	9.3
180.00795	8.6
182.03677	1.5
184.99658	0.7
185.99779	0.7
200.00235	0.9
200.04759	0.9
201.01077	1.5
202.97470	0.6
203.00758	1.8
204.00928	2.5
218.01274	8.2
219.02065	8.7
219.03951	1.1
220.02112	1.5
220.04063	2.3
221.01793	12.5
222.01929	15.7
222.13797	0.6
227.00726	0.9
227.98688	0.9
228.00919	2.6
233.03539	0.7
240.98170	1.9
244.94716	0.7
245.01633	5.7
245.99605	1.0
246.01959	10.7
250.00346	0.9
261.03134	1.4
262.03229	1.5
262.99948	1.1
263.02856	50.0
264.00485	27.3
264.03107	100.0
265.02859	3.2
279.12723	1.2
281.00531	0.8
282.01605	6.8
286.04370	0.8
286.99414	4.3
287.01703	0.7
287.04794	2.4
304.97406	1.2
305.00671	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0914
Annotation	Kukulkanin B
Peak:m/z	Relative Intensity
55.05488	0.6
64.70291	0.6
68.02625	0.8
81.07057	1.0
83.04967	1.3
91.05482	10.6
93.07060	1.4
95.04942	1.0
95.08598	1.2
95.32547	0.6
98.20779	1.4
105.07030	1.1
106.00565	0.7
107.01326	1.8
107.08610	0.6
111.04384	0.9
117.07051	0.7
119.04952	24.8
119.08614	0.7
120.05735	1.1
121.02891	1.0
121.06503	1.2
123.04504	0.9
124.01575	5.3
128.06187	0.7
131.08574	0.7
133.10098	0.6
139.03914	2.1
143.08592	1.0
145.06543	0.7
145.10095	1.2
147.04416	54.8
152.01053	62.8
153.01851	3.3
157.10048	0.7
159.11699	1.6
167.03410	100.0
168.03751	1.1
170.02126	10.7
171.11662	0.8
173.09627	1.3
173.13232	0.8
178.02538	0.6
181.06503	1.5
185.13258	0.7
187.11215	1.7
189.09174	1.1
195.08104	0.7
197.05956	0.9
201.16481	1.6
209.05983	2.4
214.09920	0.8
215.14320	2.2
226.06137	0.9
227.07011	0.8
228.11458	1.5
234.87729	0.7
241.08591	2.3
243.13824	12.3
251.07021	1.2
255.06573	2.1
257.04480	0.8
269.08099	2.6
269.22708	1.4
272.07022	1.3
287.09152	95.5
287.23492	1.3
307.18307	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
56.96568	1.5
69.03434	0.9
69.07065	0.7
70.06596	100.0
71.04995	0.6
71.06940	0.4
71.49183	0.7
72.08155	3.1
81.03414	0.9
84.04504	0.6
84.08154	1.2
84.96082	0.5
85.02911	1.5
86.06087	0.5
86.09718	1.1
97.02893	0.7
98.06061	1.2
98.97608	1.6
98.98502	0.4
99.73292	0.4
100.03980	0.6
106.02932	0.4
110.07156	0.5
112.05125	1.2
112.07617	1.3
114.05548	0.8
116.07114	0.7
116.98621	0.7
118.08678	1.2
119.01848	0.4
124.03965	4.7
124.07619	0.7
127.03999	0.5
128.98656	0.7
130.08633	0.6
134.99632	0.5
138.05573	0.8
140.07057	0.8
141.10239	15.4
146.99701	0.6
154.05028	0.8
154.06194	1.2
158.99699	0.6
162.05455	1.1
164.07080	0.4
166.05003	0.6
169.09731	13.7
169.13397	0.9
177.00777	0.5
185.09229	4.5
187.04561	0.4
215.13921	40.7
216.14311	0.4
264.75250	0.4
286.09293	1.8
286.13077	1.4
286.17654	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	285.2214
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
51.35950	1.5
53.03934	1.7
55.05509	8.1
57.07069	3.2
67.05505	20.2
69.07072	7.4
71.51161	1.6
72.91495	1.2
79.05499	20.0
81.07057	36.3
83.04968	1.3
83.08633	3.0
83.09588	1.3
91.05482	20.0
93.06480	2.6
93.07050	36.9
95.04966	3.0
95.08611	34.1
95.75513	1.2
97.06544	2.6
97.10133	1.5
105.07042	35.3
107.08604	24.1
109.06526	2.0
109.10162	13.1
111.08066	1.4
117.07031	10.3
119.07829	2.3
119.08604	23.6
119.09435	0.8
121.06529	1.7
121.10145	16.8
123.08071	2.0
123.11703	3.5
128.06238	2.0
129.07013	6.9
131.08568	21.3
133.10141	19.6
135.11707	9.8
137.09650	3.2
141.06929	2.4
142.07707	3.3
143.08588	11.8
145.09059	2.0
145.10136	25.2
147.08006	1.4
147.11702	20.0
148.76125	1.2
149.09602	2.6
149.13240	5.8
151.11264	1.9
155.08545	7.3
156.09366	3.1
157.10141	11.0
158.10933	1.7
159.11702	20.0
161.13245	10.9
163.11209	2.2
163.14810	3.1
169.10159	8.4
171.11711	15.4
173.13306	13.3
175.11215	2.0
175.14836	4.4
177.12721	2.4
182.10829	2.5
183.11708	7.8
185.13255	10.9
187.14851	7.7
189.12746	4.2
191.14305	2.2
197.13255	8.3
199.14810	11.1
201.16428	6.6
203.14386	1.6
211.14844	10.7
212.15327	1.5
213.16382	3.2
215.14386	2.7
225.16386	6.9
227.17955	21.5
229.15904	2.9
239.17883	5.4
243.20953	1.2
257.22711	4.6
267.21091	36.3
267.23944	1.9
285.22137	100.0
285.29672	13.5
285.32834	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	286.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80985	0.3
55.01868	1.1
55.05508	0.6
55.92789	0.3
56.02647	1.5
67.05501	1.2
68.99796	4.8
69.07041	0.7
70.33128	0.7
70.33525	0.8
71.01359	1.6
74.81969	0.4
79.05485	0.6
80.05842	0.4
81.07059	1.8
82.07361	0.5
84.02132	2.6
91.05470	0.8
93.07048	0.9
95.94981	0.3
99.00822	4.7
105.07022	1.2
106.07362	0.5
107.08624	0.6
108.08900	0.4
109.10191	0.5
110.03732	0.4
112.01601	7.7
115.05502	0.3
119.04965	2.4
119.08580	0.5
120.08933	0.7
121.02876	7.2
127.00284	5.3
128.06227	0.5
140.01060	5.5
145.10126	0.4
146.10468	0.6
147.04361	0.5
147.11716	0.5
148.12024	0.7
153.06961	0.6
154.99797	1.5
156.09026	0.4
159.11731	0.7
160.05185	0.7
165.07031	0.9
168.00552	31.3
169.01157	0.8
171.10501	0.4
174.13622	0.5
180.08075	1.1
181.08847	0.6
184.05228	0.8
184.07603	0.9
186.01616	15.3
187.03928	0.5
198.05519	0.9
198.09169	1.1
208.07668	0.8
209.08414	0.8
212.04779	0.6
212.07076	1.0
212.15154	0.4
226.04974	0.6
226.08722	0.8
227.09360	1.8
230.08084	0.4
230.11781	0.4
236.07112	1.2
240.10248	1.2
243.13776	0.9
254.08105	2.3
257.04495	0.6
257.06894	4.6
258.05139	2.9
258.07687	1.0
258.11270	3.7
268.09720	6.4
268.21436	1.3
285.03949	1.2
286.04739	100.0
286.22385	3.1
287.05081	2.2
287.16550	0.6
309.47916	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.03938	1.8
55.05517	8.0
57.07064	1.6
59.05005	0.8
63.81653	0.6
65.03936	1.7
66.09756	0.7
66.31117	0.8
67.05505	22.5
69.07069	7.7
69.43945	1.3
69.44352	3.1
77.03896	1.0
79.05499	21.7
80.30106	0.7
81.07058	50.2
83.04991	1.9
83.08595	2.4
91.05484	23.0
93.07047	37.4
95.04989	3.4
95.08611	37.1
97.06533	2.8
97.10146	1.7
98.21449	1.6
99.08123	0.8
105.04530	1.1
105.07034	36.9
107.07874	1.4
107.08597	27.0
109.06504	2.4
109.09473	1.1
109.10165	15.1
111.08058	1.3
115.05466	1.7
117.07017	10.7
119.08585	23.9
121.06474	2.6
121.10143	17.1
123.08079	4.6
123.11694	4.0
125.09653	1.2
128.06172	1.6
129.06998	7.6
130.07797	1.2
131.08578	23.2
133.09113	1.3
133.10129	22.1
135.08037	0.7
135.11707	9.2
137.09598	2.5
137.13229	0.9
137.55785	0.7
141.06984	2.9
142.07774	2.4
143.08563	13.4
144.09375	1.2
145.10133	21.9
147.07994	1.5
147.11688	19.9
149.09648	3.6
149.13261	8.0
151.11201	1.9
155.08554	7.3
156.09299	2.0
157.10143	11.1
159.11703	15.9
161.09615	1.2
161.13268	10.9
163.11185	1.9
163.14798	2.1
165.12720	0.7
168.09317	1.1
169.10133	9.6
170.10825	1.0
171.11707	13.2
173.09535	0.7
173.13263	13.1
175.11188	1.4
175.14827	6.2
177.12778	2.2
182.10927	1.0
183.11752	6.3
185.13257	12.6
187.14827	8.0
189.12700	3.2
189.16341	1.9
191.14259	3.2
196.12471	1.0
197.13274	9.5
199.14790	8.6
201.12747	1.4
201.16348	5.3
203.14302	2.3
205.15822	0.9
211.14810	11.8
212.15627	0.8
213.16412	3.0
215.14275	2.0
215.17862	0.7
217.15846	1.9
225.16400	7.0
227.17938	20.4
229.15816	4.6
239.17986	5.9
241.19504	1.5
241.66028	0.8
243.17432	1.0
253.08435	0.8
254.90826	0.7
257.19012	0.8
257.22626	6.1
267.21082	38.4
270.05344	0.8
285.22128	100.0
286.22495	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2215
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
55.05522	10.9
57.03427	6.5
57.07069	2.3
63.60783	1.4
67.05510	29.0
67.30442	1.7
69.07075	15.1
71.01777	3.1
71.04984	1.4
79.05505	19.7
81.03423	5.1
81.07061	33.8
83.04987	4.7
83.08628	6.3
91.05479	27.6
93.07051	37.7
95.04959	3.6
95.08614	27.7
97.06528	6.4
97.10225	1.8
105.07038	30.8
107.08596	22.9
108.47195	1.6
109.06530	4.2
109.10165	34.7
111.08083	1.9
111.11713	2.1
115.05473	3.7
116.06271	1.9
117.02572	1.6
117.07021	16.7
119.05032	1.8
119.08584	25.0
121.01756	1.5
121.06492	2.0
121.10154	14.8
123.08060	2.6
123.11720	5.0
128.06238	4.0
129.07013	11.4
131.08569	29.1
133.06468	1.9
133.10132	17.5
135.08078	3.0
135.11693	12.6
137.09621	3.3
141.07025	6.5
142.07768	4.1
143.08591	11.5
144.09323	2.3
145.10115	17.2
147.08073	4.3
147.11700	12.6
149.13252	6.2
154.07753	2.3
155.08527	9.0
156.09435	1.9
157.10132	13.6
158.10831	1.7
159.08061	3.8
159.11694	27.2
161.09648	3.4
161.13255	11.0
163.11176	3.5
163.14809	2.9
165.12668	1.9
167.08620	2.3
169.10136	10.9
170.10706	1.8
171.11707	8.9
172.08818	2.4
173.09639	5.1
173.13280	12.5
175.11162	3.6
175.14871	9.0
177.12810	2.0
181.10144	2.8
182.10962	2.7
183.11722	10.3
185.09612	3.3
185.13277	11.0
187.11191	3.7
187.14786	9.4
189.09117	9.2
189.12698	2.0
191.14307	2.1
193.12227	3.3
195.11728	1.8
197.13281	13.6
199.07558	3.4
199.14772	8.8
201.09215	2.5
201.12807	6.3
201.16399	6.0
203.10675	17.0
203.14488	2.2
211.14862	11.3
213.09201	2.3
213.16403	3.0
215.10536	1.7
215.14357	4.4
215.18027	3.7
224.15646	3.3
225.09105	2.2
225.12767	1.9
225.16408	8.8
227.10634	2.7
227.17949	5.0
229.12280	21.0
229.15839	3.7
239.18073	4.4
241.12230	4.0
241.19601	4.4
243.06581	3.9
243.13712	11.2
243.17450	2.3
253.08650	2.2
257.22681	5.4
267.21115	40.0
285.11740	7.1
285.15155	4.6
285.18549	42.4
285.22159	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2215
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
51.70097	1.9
53.03941	5.2
55.01869	2.2
55.05520	10.6
57.07064	3.9
62.57000	2.3
67.05511	29.1
69.03432	4.5
69.07068	11.8
69.37714	16.0
79.05489	25.0
81.03406	3.0
81.07064	58.4
83.04961	3.7
83.08617	4.4
85.02904	3.9
85.06541	3.1
86.03262	2.7
87.00797	3.3
91.05489	26.0
93.07051	42.7
95.04965	5.6
95.08070	3.1
95.08617	44.7
97.06524	9.8
97.10175	2.7
98.20772	4.2
103.05418	2.5
105.06321	2.6
105.07034	37.3
107.08607	34.7
109.06522	4.8
109.10165	17.6
111.08102	3.0
117.06999	11.7
119.08581	36.3
121.06467	3.0
121.10179	15.5
121.87154	2.3
123.08060	4.2
123.11707	4.2
129.07025	7.7
131.08583	32.9
133.10120	25.4
135.11682	13.9
141.06985	5.1
142.07771	3.2
143.08556	16.0
144.09175	2.5
145.10136	25.0
146.05299	3.4
147.08080	2.6
147.11691	21.4
149.13254	7.8
155.08543	5.8
156.09285	4.5
157.10149	15.3
159.08044	3.8
159.11716	23.0
161.09593	2.4
161.13295	12.9
163.34387	2.1
165.06985	2.5
168.09451	2.3
169.10141	7.2
171.11739	10.7
173.09601	3.1
173.13266	15.7
174.36983	2.2
175.14835	9.1
183.11670	8.3
185.13254	13.0
187.14827	7.9
189.09174	2.8
189.12811	6.3
191.14368	2.7
193.06528	3.5
197.13275	9.9
199.14883	10.4
201.12814	3.2
201.16328	9.7
203.10664	3.2
203.14391	3.3
210.06702	2.8
211.14821	10.6
213.16339	3.5
215.14435	2.7
215.17952	2.9
225.09061	4.8
225.16406	8.5
227.17915	11.7
229.12285	3.0
229.15843	4.6
233.54115	2.1
239.18048	6.3
241.19742	3.1
253.08624	8.5
257.22632	6.6
267.21091	40.5
285.11337	10.3
285.15045	6.0
285.18616	10.6
285.22119	100.0
285.25323	5.3
286.22348	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2215
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.03933	2.0
55.05515	12.1
57.03436	3.9
57.07055	1.7
67.05182	2.1
67.05511	29.9
69.07071	12.5
71.04984	3.8
71.51244	2.1
79.05499	25.3
81.03420	2.0
81.07062	62.1
83.04974	1.9
83.08617	2.8
85.02874	1.4
85.06559	2.9
91.05494	26.8
91.27964	1.4
93.07048	47.0
95.04947	4.6
95.08613	44.5
97.06513	4.1
97.10156	1.8
105.07040	49.4
107.08604	32.0
109.06513	3.7
109.10166	18.5
111.08084	2.4
111.51345	1.2
113.09647	1.6
117.07012	9.3
119.08590	31.1
121.06507	2.3
121.10153	18.3
123.08047	3.4
123.11727	9.3
125.09654	1.6
128.06253	3.0
129.07054	8.0
131.08578	23.3
133.10153	22.0
135.08037	1.7
135.11703	11.1
137.09656	3.0
141.06981	2.9
142.07780	3.5
143.08583	11.5
145.10136	19.6
147.07976	1.5
147.11705	33.1
149.09601	4.4
149.13287	9.6
151.11116	2.0
155.08592	6.8
156.09360	2.0
157.10150	10.9
159.11700	16.8
161.09615	2.1
161.13263	8.7
163.14838	2.5
165.12737	3.9
168.09352	1.8
169.10150	12.0
171.01419	3.9
171.11697	11.8
173.13286	13.7
175.11182	3.1
175.14810	7.8
177.12755	2.0
183.11703	10.4
184.67752	1.4
185.13255	10.8
187.11230	1.8
187.14838	5.4
189.09209	1.9
189.12741	3.0
191.14325	3.8
193.12201	2.0
197.13383	9.0
199.14818	9.4
201.12808	1.9
201.16406	4.0
203.10582	3.1
203.14404	1.6
211.14874	11.9
213.16426	2.3
215.14328	3.1
225.16440	7.5
227.17931	9.4
229.12164	3.3
229.15909	4.6
239.18054	6.5
241.19376	2.3
243.13786	2.1
257.22577	5.9
267.21106	37.7
285.18628	10.0
285.22113	100.0
285.33322	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2215
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.03920	2.1
55.05513	11.2
55.24413	1.2
57.03435	4.3
57.07079	2.9
60.22389	1.3
63.71328	1.3
65.03949	2.3
67.05507	35.2
69.07079	11.2
70.73580	1.1
71.04989	1.3
71.10996	1.6
77.03966	1.2
79.05076	1.8
79.05499	23.4
81.03439	1.7
81.07063	54.7
82.26733	1.2
83.04961	3.2
83.08630	3.9
85.06525	1.2
91.05488	28.1
93.07055	39.2
93.07641	2.0
95.04994	2.3
95.08617	42.1
97.06543	5.2
97.10178	1.8
105.07040	45.4
107.08599	33.6
109.06541	3.3
109.10162	22.9
111.08070	2.5
117.07030	10.8
119.07816	2.0
119.08592	30.4
121.06512	4.2
121.10151	15.6
123.08057	5.5
123.11724	4.5
125.09698	1.2
128.06259	3.5
129.07014	9.6
131.08577	28.7
133.10144	22.9
135.08072	3.0
135.11688	10.2
137.09593	2.4
137.13168	1.7
141.06985	4.3
142.07809	3.5
143.08578	14.7
145.06410	1.2
145.10132	23.0
147.08057	3.6
147.11697	26.2
149.09631	3.4
149.13248	8.0
151.11134	2.3
155.08551	7.4
155.15065	1.4
156.09348	1.5
157.10123	12.0
159.08083	3.4
159.11682	18.3
161.09679	1.9
161.13264	11.0
163.14804	2.7
165.12819	1.7
168.09383	2.9
169.10132	8.4
171.11716	12.8
172.12564	1.4
173.09676	8.8
173.13289	13.2
175.11220	3.0
175.14790	8.2
181.10147	2.7
182.10963	1.9
183.11763	9.7
185.09686	3.0
185.13274	9.4
186.10416	1.6
187.11168	2.5
187.14809	7.8
189.09145	12.4
189.12698	2.6
189.16400	2.5
191.14313	3.4
197.13309	7.2
199.14885	9.7
201.12738	5.2
201.16443	4.6
203.10664	29.4
203.14417	1.4
205.26848	1.3
211.14832	11.3
213.16449	2.7
215.10706	2.0
215.14389	7.4
215.17986	2.1
217.12337	2.9
225.16426	8.5
227.10640	2.5
227.17946	14.5
228.11400	2.2
229.12263	29.1
229.15816	6.0
239.17889	6.5
239.85132	1.5
241.12383	2.2
241.19424	1.7
243.13852	11.7
253.34187	1.4
257.19031	2.7
257.22617	4.8
267.21085	39.7
285.07709	1.5
285.11929	2.1
285.15036	6.4
285.18521	44.9
285.22150	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2214
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
51.02375	1.1
53.03939	2.7
55.01864	0.9
55.05312	0.8
55.05510	8.7
57.03429	1.9
57.07068	2.3
65.03929	1.3
67.05508	36.2
69.03420	1.1
69.07068	17.0
69.16252	0.9
70.16623	3.3
77.03935	1.5
79.05494	23.8
81.03416	1.5
81.06601	2.1
81.07062	36.4
82.94013	0.8
83.04984	0.9
83.08611	2.6
90.31935	0.9
90.92545	1.0
91.04909	1.5
91.05484	40.9
93.07048	49.1
93.07639	2.4
95.04966	3.0
95.08610	33.8
97.06520	3.1
97.10180	1.6
104.01626	1.0
105.06310	1.4
105.07034	37.6
107.08598	24.8
109.06541	2.6
109.10163	41.9
111.08062	2.4
111.11716	1.8
111.81522	0.9
114.73367	0.9
115.05442	1.2
117.07024	20.8
119.08590	31.8
121.06492	3.4
121.10147	17.9
122.94096	0.9
123.08097	3.0
123.11703	5.4
125.09602	1.7
127.16945	0.9
128.06218	3.1
129.07008	11.4
130.07761	2.1
131.08574	31.1
133.06529	1.7
133.10136	23.8
135.08073	1.9
135.11711	13.0
137.09607	2.3
141.07008	8.2
142.07773	4.0
143.08572	17.5
144.09346	1.6
145.10120	22.6
147.08044	3.0
147.11707	16.2
149.09645	2.3
149.13269	6.7
154.07784	1.2
155.08571	12.8
156.09331	2.6
157.10150	16.1
158.10847	1.0
159.08063	2.5
159.11696	35.2
161.09622	3.0
161.13248	14.7
163.11148	3.0
163.14769	1.4
165.12819	1.0
167.08546	1.7
168.09315	1.9
169.10129	11.0
170.10913	1.3
171.11688	12.8
172.08879	1.1
173.09705	4.6
173.13277	16.1
175.11168	3.7
175.14827	21.0
177.12715	1.7
181.10133	1.6
182.10869	1.7
183.11685	11.5
185.13263	10.4
187.11148	2.8
187.14850	8.5
189.09148	6.5
189.12749	1.6
189.16418	1.2
191.14334	1.9
195.11697	1.5
196.12471	1.8
197.13287	11.3
198.13728	1.4
199.14876	5.2
200.15538	1.5
201.12730	4.2
201.16418	8.3
203.10683	12.6
203.14206	2.3
211.14821	14.0
213.16393	3.3
215.14409	4.6
215.17976	4.2
217.15823	1.1
224.15581	2.7
225.16362	9.4
227.17978	4.6
228.11481	1.9
229.12267	13.5
229.15768	4.8
239.17880	6.5
241.19560	2.5
243.13896	4.8
243.17438	2.0
252.88409	1.0
257.19049	2.6
257.22598	6.3
267.21094	44.6
267.23987	2.2
285.18567	18.7
285.22116	100.0
286.22412	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2215
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.03936	2.1
55.05518	6.7
57.03430	0.8
57.07061	1.0
66.04729	0.8
67.05512	18.0
69.07075	6.3
69.77773	2.5
69.78190	2.3
79.05077	1.3
79.05502	17.3
81.07065	41.6
82.43738	0.7
83.04974	1.4
83.08611	2.8
85.06541	0.9
91.05492	18.5
93.07053	32.2
95.04967	2.7
95.08615	30.7
97.06509	2.3
98.21490	1.5
101.67221	0.8
105.07040	31.5
107.08605	21.3
109.06516	3.2
109.10185	11.7
111.08118	0.9
117.07034	7.7
119.08595	22.1
121.06483	2.3
121.09319	1.3
121.10155	14.4
123.08070	2.8
123.11735	4.3
125.09642	1.5
129.07027	7.2
130.07825	1.1
131.08577	18.6
133.10146	17.2
135.11693	8.0
137.09601	1.8
141.06976	2.1
142.07787	2.4
143.08580	13.2
144.09352	1.7
145.10141	20.9
147.11705	14.4
149.09622	2.2
149.13269	5.8
151.11197	2.0
154.07732	0.9
155.08571	5.6
156.09407	1.6
157.10144	11.7
159.11716	18.2
161.13278	9.0
163.11147	1.9
163.14816	1.4
168.09358	1.3
169.10130	6.6
171.11687	14.5
173.13271	11.5
175.11201	2.1
175.14842	6.1
177.12836	1.1
182.10933	1.8
183.11713	7.3
185.13272	12.0
187.11108	1.0
187.14828	7.1
189.12770	2.5
189.16426	1.7
191.14297	3.0
197.13242	6.0
199.14865	10.0
201.12737	1.1
201.16324	4.7
203.14288	2.5
211.14850	9.9
213.16429	3.1
215.14363	2.8
215.17738	1.0
217.15948	1.4
225.16447	6.9
227.17986	20.6
229.15923	3.7
229.19391	1.0
239.18010	5.4
241.19568	1.4
243.17462	1.6
248.41776	0.9
257.19092	1.6
257.22668	5.4
267.21103	36.1
285.22147	100.0
286.22577	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.03933	4.8
55.05512	24.3
57.07063	7.2
62.67474	2.9
67.05506	26.8
69.07073	71.8
69.15102	26.2
69.15522	9.7
71.04996	8.6
79.05497	25.6
81.03384	3.6
81.07060	47.8
83.04987	5.6
83.08617	11.4
91.05476	32.9
93.07047	43.6
95.04970	7.8
95.08613	48.0
97.06537	16.7
97.10168	6.7
98.20772	5.4
105.07038	78.1
107.08598	45.1
109.06529	29.5
109.10165	34.7
111.08083	9.7
117.07001	9.0
119.08589	100.0
121.06554	15.6
121.10154	36.2
123.08076	6.4
123.11698	18.5
129.07022	5.2
129.89148	3.3
131.08565	17.8
133.10132	48.0
135.08055	15.9
135.11748	18.2
137.09642	4.3
137.13277	4.6
142.07864	4.0
143.08540	8.5
145.10126	28.9
146.07288	11.1
146.57172	3.0
146.72171	3.4
147.08003	6.3
147.11697	28.5
149.08376	3.1
149.09572	5.6
149.13187	4.3
151.11209	3.5
155.08514	9.3
156.09314	4.4
157.10109	14.1
159.11713	14.0
161.09624	88.1
161.13243	6.7
163.14854	4.2
165.12762	3.1
169.10129	9.2
171.11699	12.1
173.13271	14.7
175.11153	10.2
175.14836	59.7
177.16399	12.3
182.11060	4.9
183.11639	8.1
185.13280	18.4
187.14879	4.2
189.16374	3.9
193.12206	4.1
193.15802	10.5
197.13249	13.1
199.14857	8.1
201.16478	4.7
211.14835	11.7
215.17938	7.1
217.15628	3.2
225.16554	4.6
237.63036	3.2
257.22672	7.0
267.20959	17.9
285.22159	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	285.2214
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
50.28454	1.0
55.05513	9.9
57.03444	2.5
57.07061	1.7
59.10741	1.0
61.67804	0.9
65.03936	1.7
67.05507	21.4
67.73998	1.0
69.03403	0.9
69.07075	10.3
70.17307	3.0
71.04965	1.2
79.05074	1.4
79.05498	18.4
81.07059	46.6
83.04959	3.9
83.08594	3.5
91.05488	17.8
92.11427	0.9
93.07047	30.5
95.04953	3.9
95.08613	37.4
97.06528	3.3
97.10176	1.3
105.04551	1.3
105.07043	34.5
107.08604	26.2
109.06522	3.4
109.10171	15.1
111.08082	1.7
115.05419	1.4
116.06182	1.0
117.06329	1.0
117.07027	10.4
117.96935	1.0
118.08485	1.0
119.08590	24.9
121.06487	3.5
121.10151	15.3
123.08064	2.9
123.11729	5.5
123.12460	1.0
125.09646	2.0
128.06163	2.3
129.06995	8.6
130.07759	1.3
131.07614	1.3
131.08578	22.8
133.06462	0.9
133.10136	18.7
135.08051	2.3
135.11720	7.8
137.09619	1.3
141.06972	3.0
142.07779	2.7
143.08574	12.5
144.09314	1.4
145.10130	28.1
147.08060	2.1
147.11697	15.8
149.09567	2.5
149.13234	5.5
151.11131	1.6
154.07727	1.4
155.08568	8.8
156.09300	2.2
157.10112	15.3
158.10876	1.2
159.08025	1.4
159.11697	22.1
161.09628	1.9
161.13258	11.4
163.11136	2.3
163.14798	2.9
165.12773	1.5
168.09343	1.9
169.10126	10.1
170.10870	1.5
171.11682	15.3
173.09612	2.6
173.13274	12.4
175.11145	3.0
175.14835	4.2
177.12753	1.6
181.10080	1.6
182.10956	1.5
183.11670	8.8
185.13245	10.6
187.11140	2.1
187.14819	7.0
189.09129	2.6
189.12711	3.0
189.16338	1.9
191.14287	2.4
197.13234	10.5
199.14835	14.4
201.12714	3.6
201.16422	8.6
203.10640	6.6
203.14449	1.3
205.16200	1.0
211.13055	1.3
211.14838	11.5
213.16405	3.6
215.14409	4.9
215.17865	1.6
217.15903	1.2
225.16440	6.3
227.17953	12.1
229.12198	6.8
229.15807	5.1
239.17961	5.1
241.19435	2.3
243.13776	2.8
243.17354	1.5
257.22690	5.4
267.21094	36.4
271.51395	1.1
284.10999	1.6
285.18588	11.5
285.22098	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2215
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
50.88871	0.7
53.03950	1.8
55.01859	0.7
55.05516	6.0
57.03436	2.4
57.07088	0.9
67.05182	1.4
67.05514	18.6
69.03443	0.9
69.06801	0.7
69.07082	7.4
71.04990	0.8
71.06296	1.8
79.05064	1.2
79.05499	14.0
81.03423	1.4
81.07066	38.7
83.04964	2.2
83.08619	3.9
85.06529	1.0
91.05494	16.3
93.07053	27.6
93.27251	0.8
93.78700	0.8
95.04981	3.7
95.08613	34.4
97.06533	3.4
97.10178	2.2
99.08096	1.0
101.46123	0.7
105.07040	26.9
107.08605	18.0
109.06543	3.5
109.10175	14.4
111.08083	2.1
117.07030	5.7
119.08601	19.7
121.06490	1.7
121.10146	13.8
123.08070	2.1
123.11710	5.3
125.09647	0.8
128.06227	1.7
129.06999	4.8
131.08591	14.3
133.10146	14.5
135.08060	1.9
135.11710	9.0
137.09576	1.8
137.13196	0.9
139.11139	0.8
141.07018	1.0
142.07800	1.1
143.08557	8.0
145.10146	13.6
147.08046	1.6
147.11700	15.6
149.09590	1.1
149.13292	6.5
151.11203	1.4
155.08546	3.6
156.09343	0.9
157.10147	8.7
159.11710	12.1
161.09673	1.5
161.13284	11.3
163.11082	1.0
163.14842	2.9
165.12804	1.1
169.10126	4.5
171.11700	6.6
173.09639	1.3
173.13284	8.1
175.11174	2.5
175.14839	17.3
177.12848	1.5
182.10918	0.9
183.11676	4.3
184.12408	0.9
185.13300	6.6
187.11317	1.3
187.14836	11.9
189.12827	1.3
189.16405	2.8
191.14346	2.6
193.12268	1.2
197.13179	4.0
199.14876	7.3
201.16406	13.3
203.10696	1.5
203.14322	1.8
205.15932	1.0
211.14850	6.9
213.16402	1.8
215.14339	2.8
215.17960	2.2
217.15881	0.9
225.16423	4.5
227.17989	4.4
229.12355	0.9
229.15869	4.4
239.17964	3.8
241.19635	1.8
243.13997	0.9
243.17386	0.9
257.22665	32.9
267.21085	31.2
267.23987	1.4
285.22137	100.0
286.22433	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2215
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.03938	1.4
55.01891	1.4
55.05511	10.0
57.03444	5.4
57.07063	1.6
58.77915	1.2
59.04991	1.2
61.01888	1.1
63.00034	1.5
63.31137	1.1
65.03941	1.5
67.05183	1.7
67.05512	27.2
69.03420	1.7
69.07079	11.7
71.04984	2.2
75.49400	1.2
79.05080	1.6
79.05503	21.8
81.03402	1.2
81.07066	65.5
83.04981	2.5
83.08618	4.1
83.45160	1.2
85.06543	3.1
91.05491	24.2
93.07059	40.2
93.37271	1.1
95.04985	5.6
95.08619	43.4
97.06522	4.6
97.10164	2.9
97.18085	1.0
99.08116	1.9
105.07044	42.3
107.04906	1.1
107.08612	29.6
109.06513	4.0
109.10158	13.9
111.08086	2.4
115.05450	2.0
117.07040	7.6
119.08588	28.5
121.06469	2.1
121.10161	23.6
123.08057	4.6
123.11714	10.5
125.09598	1.2
128.06250	1.9
128.87813	1.1
129.07014	6.7
131.08582	19.9
133.06586	1.1
133.10156	18.4
135.08096	1.9
135.11707	7.5
137.09615	4.1
141.06969	4.0
142.07742	3.4
143.08571	11.2
144.09348	2.4
145.10136	23.5
147.08084	1.7
147.11702	33.4
149.09584	2.3
149.13266	4.8
151.11200	2.0
155.08548	6.5
157.10172	12.8
159.11699	16.6
161.09674	1.8
161.13274	11.7
163.11180	2.7
163.14865	2.1
165.12720	6.7
169.10213	6.5
171.11714	11.0
173.09642	2.3
173.13286	14.4
175.11177	3.6
175.14879	8.2
177.12700	2.9
183.11700	8.3
185.13275	11.5
187.14819	7.7
189.12761	3.2
191.14348	4.2
196.12476	1.3
197.13255	8.6
199.14856	9.1
201.12769	2.2
201.16364	6.2
203.10724	1.8
203.14307	1.5
211.14835	10.6
213.16350	1.8
215.14339	3.6
215.18036	2.0
217.15904	2.0
225.16380	5.1
227.18011	7.0
229.15880	4.5
239.17982	6.3
241.19362	2.5
243.17383	1.6
257.18857	1.5
257.22723	6.2
267.21100	37.8
285.17072	4.2
285.18701	3.8
285.22134	100.0
285.33389	1.8
286.22418	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2215
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.03957	3.2
55.05519	11.5
56.30809	1.8
57.03434	4.1
57.07066	2.8
64.73923	1.7
65.03951	2.4
67.05510	24.4
69.07072	16.8
69.77966	8.9
79.05494	20.5
81.07059	53.8
83.08620	5.5
91.05486	17.7
93.07047	38.5
95.04983	2.6
95.08609	40.5
97.06517	4.1
97.10153	1.8
105.07035	38.8
107.08598	22.6
109.06521	3.1
109.10176	18.6
115.05460	2.4
117.07020	7.7
119.08586	30.6
121.06497	4.1
121.10168	16.0
123.08054	4.8
123.11720	9.1
124.72224	1.8
128.06232	3.3
129.07011	5.9
131.08577	23.4
133.10152	15.3
135.11719	9.3
137.09621	2.9
141.06976	3.2
142.07764	3.3
143.08586	17.0
145.10138	34.4
147.08052	3.7
147.11671	11.9
149.13281	6.5
150.43365	1.9
155.08571	9.0
156.09375	3.2
157.10141	16.1
159.08055	3.9
159.11702	34.7
159.12892	3.0
161.09645	3.5
161.13240	15.0
163.11224	2.0
163.14841	3.7
169.10194	10.9
170.10957	1.7
171.11687	21.8
172.08879	2.3
173.09641	5.8
173.13268	10.6
175.11203	2.8
175.14854	6.4
181.10117	2.2
183.11713	7.8
185.13280	14.8
187.11192	2.1
187.14809	9.3
189.09129	7.1
189.12772	3.9
191.14401	2.1
193.15900	2.1
196.12570	2.6
197.13257	9.8
199.14842	18.6
200.15643	2.7
201.12743	4.3
201.16345	11.2
203.10699	16.3
203.14381	4.6
211.14865	15.4
213.09200	2.0
213.16350	5.1
215.10657	2.3
215.14346	9.1
217.15886	3.4
225.16431	4.9
227.17984	14.3
229.12291	16.9
229.15903	7.8
239.17969	4.4
241.19620	3.3
243.13959	9.1
257.22644	9.1
267.21106	36.7
285.18573	29.8
285.22150	100.0
287.16809	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2214
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.03942	2.1
55.05503	8.9
57.03428	7.0
57.07060	2.0
63.06330	1.4
67.05507	33.6
69.07072	12.6
71.04990	4.6
71.27937	3.4
79.05492	15.8
81.06595	2.0
81.07063	40.3
83.08642	4.0
85.06564	1.8
91.05489	19.0
93.07056	27.5
95.05001	4.5
95.08607	29.6
97.06541	6.7
97.10177	2.6
103.05466	1.6
105.07040	38.8
107.08607	26.0
109.10167	27.4
115.05412	1.9
117.07011	10.4
119.08588	29.7
120.08096	4.1
121.06494	3.9
121.10146	20.6
123.08057	2.3
123.11676	3.1
128.06229	4.7
129.06993	7.0
131.08559	24.8
133.10136	20.2
135.08096	3.2
135.11665	8.7
137.09612	3.1
138.26888	1.6
141.06975	2.6
142.07811	7.8
143.08569	15.9
144.09357	3.1
145.10127	30.4
147.08105	5.4
147.11703	14.5
148.07588	13.9
149.09634	1.8
149.13281	4.6
155.08540	10.6
156.09384	2.9
157.10162	19.4
158.07254	3.1
159.08096	6.9
159.11694	32.0
160.08904	3.6
161.09608	2.6
161.13266	9.8
163.11203	2.5
163.14832	3.2
168.09354	3.3
169.10124	11.9
170.10883	2.4
171.08159	1.8
171.11702	19.0
172.08861	6.0
173.09637	15.1
173.13229	14.0
175.11267	3.7
175.14848	6.5
177.12730	2.6
183.11710	12.1
185.09612	3.3
185.13297	14.3
186.10426	4.7
187.11234	7.2
187.14896	10.0
189.09125	25.7
189.12773	2.7
189.16394	3.8
197.13260	11.5
199.07629	3.0
199.14812	32.2
200.12064	1.8
201.09221	1.7
201.12758	14.1
201.16397	11.5
203.10681	52.7
210.10440	1.7
211.14894	12.1
213.09206	3.7
213.16301	3.0
214.09889	3.4
215.10681	4.9
215.14320	10.6
215.17934	2.1
217.12209	4.1
217.15889	1.8
224.15778	2.0
225.16434	3.7
227.10745	4.6
227.14449	3.1
227.17950	12.1
228.11559	3.7
229.12253	60.4
229.15919	6.4
239.17914	12.1
241.19637	2.9
243.13834	25.9
257.19022	5.2
257.22629	5.1
267.21069	27.4
285.07751	2.8
285.15494	3.7
285.18521	100.0
285.22141	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	285.1851
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
50.07010	0.6
50.49443	0.7
52.11307	0.6
52.54831	0.6
55.05511	4.9
57.03440	9.0
57.07083	1.4
63.00054	1.3
65.03941	1.0
66.98457	0.6
67.05508	25.8
69.03417	1.1
69.07081	4.6
69.72893	3.4
71.08615	0.9
79.05500	7.0
81.07063	17.1
83.04983	1.3
83.08633	2.4
88.93895	0.7
91.05474	7.6
93.07047	10.1
95.04985	1.3
95.08613	8.2
97.06537	1.9
97.10136	0.8
102.18427	0.7
105.07040	11.7
107.08578	6.7
108.36308	0.5
109.06513	0.9
109.10160	22.8
115.05450	0.7
117.07023	3.0
119.08594	9.0
121.06491	3.3
121.10149	3.9
123.08069	0.8
128.06232	2.1
129.07025	4.8
131.08595	7.6
133.06529	0.8
133.10121	6.4
135.08087	0.8
135.11713	2.9
137.09573	0.8
141.06993	2.4
142.07774	3.0
143.08582	6.1
144.05646	0.7
145.06497	2.0
145.10146	9.7
146.07260	1.2
147.08072	4.9
147.11710	3.5
149.09618	1.1
149.13290	1.4
153.06978	1.0
155.08531	4.4
156.09375	1.4
157.06519	0.7
157.10150	5.6
158.07280	2.2
159.08070	8.1
159.11685	7.5
160.08876	2.9
161.06055	1.3
161.09659	2.1
161.13260	1.4
165.06944	0.8
167.08565	1.0
168.09412	0.9
169.10158	3.4
171.08057	1.5
171.11740	3.5
172.08847	5.0
173.06075	0.6
173.09631	16.0
173.13208	3.8
174.06860	1.6
174.10413	1.4
175.11223	3.1
175.14818	1.4
181.06659	0.7
181.10123	0.8
182.10823	1.3
183.11690	3.9
185.09625	5.0
185.13281	2.5
186.10376	3.1
187.07651	1.4
187.11177	6.6
187.14835	1.6
188.08362	1.2
189.09122	27.1
189.12769	1.2
193.12286	0.7
196.08844	1.1
197.09625	1.8
197.13284	4.3
198.10469	0.6
199.07564	3.3
199.11243	2.4
199.14848	2.7
200.08435	2.7
200.12090	0.9
201.09142	2.7
201.12752	12.5
201.16382	1.8
203.10681	68.3
204.11159	0.9
209.09621	0.9
210.10310	1.1
211.11247	1.9
211.14806	3.5
213.09068	4.8
213.12785	0.9
214.09853	4.8
215.10806	4.0
215.14349	8.4
217.12251	5.6
221.06154	0.7
223.11118	0.7
225.12846	3.3
225.16399	1.8
227.10686	4.1
227.14357	1.7
227.17970	3.7
228.11491	5.3
229.12259	57.6
229.15616	5.8
230.12701	1.1
239.14276	0.9
239.17928	1.7
241.12277	2.2
242.12994	2.1
243.13815	27.6
253.08591	0.7
256.14572	1.3
257.15314	0.8
257.18964	3.4
257.22525	1.4
267.17709	1.1
267.21100	6.3
285.15033	7.1
285.18503	100.0
285.22086	21.8
286.18961	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.185
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
51.81365	0.5
55.05511	2.2
57.03443	7.8
61.28090	0.6
65.03958	0.6
67.05512	17.5
69.07059	2.0
70.81900	1.5
71.08646	0.9
79.05502	2.4
81.07068	6.5
83.08607	2.0
91.05483	1.5
93.07053	2.6
95.08600	2.2
99.88754	0.6
105.03343	0.6
105.07028	4.5
107.08585	2.2
109.06506	0.6
109.10167	16.6
111.29932	0.7
117.07021	1.5
119.08595	3.2
121.06503	2.2
121.10149	1.9
125.54408	0.5
128.06238	0.9
129.07002	2.5
131.08591	3.1
133.10138	2.5
135.08141	0.6
142.07785	1.7
143.08586	1.5
145.06500	1.5
145.10162	4.0
147.08058	3.3
147.11668	1.4
155.08559	2.3
157.10124	2.5
158.07350	1.1
159.08073	4.3
159.11700	3.2
160.08862	2.6
161.09621	1.4
169.10130	1.7
171.08051	1.4
171.11745	1.3
172.08797	3.4
173.09631	12.6
173.13176	1.0
174.06830	1.3
174.10362	0.8
175.11211	2.1
176.08392	0.6
182.10944	1.0
183.11710	1.7
185.09622	4.1
186.10399	3.0
187.07552	1.2
187.11209	5.4
188.08281	0.8
189.09122	26.2
195.08040	0.8
196.08853	1.1
197.09644	0.6
197.13217	1.4
199.07588	1.9
199.14743	0.6
200.08359	1.1
200.12042	0.9
201.09067	1.7
201.12740	11.4
203.10680	54.8
204.11214	1.0
210.10437	1.3
211.11186	1.3
211.14861	0.7
213.09081	1.6
214.09918	2.5
215.10753	3.0
215.14310	5.5
217.12265	4.7
220.96216	0.6
225.12770	3.3
225.16228	0.8
227.10742	2.9
228.11444	4.1
229.12257	48.9
229.15540	3.9
239.17952	1.5
241.12233	1.4
242.13036	2.5
243.13828	24.1
256.14700	0.7
257.19086	1.9
267.21143	1.6
285.18524	100.0
285.22018	5.2
286.18961	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1851
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
54.05807	0.6
55.05513	1.6
57.03197	0.8
57.03441	8.4
65.03921	0.7
67.05511	19.8
69.07072	2.0
70.44715	2.4
70.99423	0.6
79.05479	1.8
81.07065	6.5
83.08630	1.0
91.05479	2.0
93.07053	1.0
95.08617	1.6
105.07027	2.3
107.08576	1.8
109.10159	17.0
119.08599	3.4
121.06540	2.4
121.16650	0.6
129.06982	1.7
131.08568	3.0
133.06470	1.0
140.14455	0.7
141.07008	0.8
142.07767	2.0
143.08594	1.1
145.06477	2.1
145.10106	3.6
146.07246	1.1
147.08060	4.7
147.11743	1.5
155.08542	1.9
157.10069	1.8
158.07288	1.1
159.08067	6.9
159.11699	2.8
160.08856	3.6
161.09590	2.1
161.13264	0.6
169.10159	1.3
171.08092	1.7
172.08870	4.7
173.09628	15.3
174.06821	1.3
174.10283	0.7
175.07495	0.9
175.11189	1.9
183.11768	1.1
185.09656	5.8
186.10489	3.2
187.07558	1.2
187.11186	5.7
188.08292	0.9
189.09123	25.9
195.07884	0.8
196.08846	1.4
197.13239	1.0
199.07541	2.6
199.11139	1.7
200.08347	2.1
200.11951	0.8
201.09105	2.1
201.12772	14.2
203.10684	64.8
204.11180	0.9
210.10364	1.0
211.11327	0.8
213.09167	3.7
214.09880	3.8
215.10730	4.2
215.14342	7.6
217.12320	5.3
225.12747	2.9
227.10730	2.6
227.14320	1.7
228.11488	4.9
229.12253	54.7
229.15584	4.3
230.12845	1.6
239.14278	1.0
241.12192	1.6
242.13025	1.4
243.13818	26.5
256.14822	1.2
257.19037	1.8
267.17331	0.8
285.18518	100.0
286.18854	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01864	5.7
55.05511	30.2
57.03439	57.6
57.07066	2.0
63.00023	2.1
65.03954	3.4
67.05511	54.0
69.03424	7.7
69.07074	12.4
69.23342	22.2
71.05004	10.5
79.05077	2.9
79.05500	40.6
81.03422	90.2
81.07064	73.6
83.04975	22.2
83.08624	37.6
85.02908	92.5
85.06532	3.9
85.85266	2.1
91.05490	57.6
93.07047	41.4
95.04974	38.7
95.08612	24.4
97.02856	4.2
97.06522	9.3
97.10181	5.2
98.21484	6.1
99.08092	4.6
105.07040	50.8
106.80257	2.2
107.04945	8.0
107.08607	17.7
109.06518	9.8
109.10155	12.4
111.04440	4.1
111.08077	19.2
113.05986	4.6
115.05470	3.4
117.06979	4.3
119.07812	3.3
119.08588	40.6
121.06495	2.7
121.10149	21.3
123.08092	7.7
123.11720	6.2
125.09658	2.3
129.06987	16.5
131.08571	24.6
133.06557	3.0
133.10158	19.0
135.11676	4.6
137.09612	6.0
142.07796	4.8
143.08540	4.2
145.10117	9.4
147.08067	3.8
147.11696	34.1
149.09610	9.6
155.08533	3.4
157.10133	28.2
159.11624	4.6
161.13274	3.2
163.11295	2.8
165.12759	5.9
169.10138	3.2
171.01509	2.1
171.11749	6.0
173.13268	4.3
175.11208	30.7
183.02963	2.0
183.11716	4.0
189.09143	2.3
191.14340	2.2
193.12257	100.0
197.13147	2.9
199.14848	5.1
201.12877	2.4
203.10626	4.7
211.11339	4.2
211.13301	68.4
211.15276	3.5
227.17836	3.9
229.12167	6.8
239.18150	2.8
243.13905	3.4
267.21072	6.8
285.16711	57.0
285.22147	18.5
285.33301	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	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03951	4.5
54.86376	1.8
55.01872	2.9
55.05512	23.3
55.06698	1.4
57.02485	1.5
57.03442	32.5
59.04999	3.1
65.03943	2.0
67.05511	37.8
69.03429	5.5
69.07071	11.0
69.81648	6.6
69.82055	3.2
71.05003	10.3
78.77289	1.7
78.82774	1.5
79.05062	2.6
79.05498	26.5
81.03423	100.0
81.07056	41.7
83.04986	13.5
83.08621	31.7
85.02908	54.6
85.06577	2.2
91.05484	35.9
93.07050	21.0
95.04977	42.2
95.08625	16.9
97.02901	4.0
97.06527	5.0
97.10167	2.6
102.89709	1.9
103.05515	1.8
105.07030	24.7
107.04964	7.4
107.08617	9.1
109.06528	7.8
109.10156	5.3
111.04423	5.1
111.08075	18.2
113.06001	4.1
114.09216	1.4
115.05526	1.7
117.07010	2.5
119.07790	2.6
119.08593	26.8
121.06551	1.6
121.10146	15.0
122.49240	1.6
123.08042	2.7
123.11721	4.8
125.09534	1.6
129.06998	15.7
131.08556	13.1
133.06464	5.1
133.10139	10.7
135.11742	1.9
141.07057	1.5
145.10132	3.9
147.08046	2.5
147.11693	24.2
149.09682	8.4
157.10156	20.0
161.06012	2.4
163.11208	2.6
165.07042	4.4
165.12773	7.4
175.11201	21.1
182.07274	2.1
193.06491	2.7
193.12259	86.4
211.13278	45.9
221.05936	4.4
225.09100	6.7
229.14418	4.8
253.08661	10.2
262.46561	1.8
267.16000	8.2
285.11530	10.5
285.17007	40.5
285.22095	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27114	1.1
53.03938	3.9
55.01868	3.1
55.05515	7.9
57.03440	7.4
59.87183	1.1
65.03938	1.2
65.96174	1.1
66.80407	1.1
67.05516	15.9
69.03411	2.7
69.07076	6.5
69.34226	5.6
69.34650	4.6
71.04991	2.9
79.05146	1.1
79.05507	14.4
81.03425	100.0
81.07067	13.2
83.04964	5.2
83.08624	22.9
83.27793	1.2
85.02924	5.6
91.05490	19.1
93.07043	9.0
95.04973	27.3
95.08599	6.5
97.02901	2.7
97.06553	1.9
97.10123	2.0
98.21545	2.5
105.07044	13.3
107.04939	4.8
107.08588	6.1
109.06496	2.1
109.10122	1.3
111.04449	2.3
111.08086	13.1
115.05421	1.5
117.07005	2.0
119.08594	11.0
121.06534	1.9
121.10155	6.4
123.08105	1.4
125.09584	1.9
128.06252	1.6
129.07019	10.9
131.08588	9.2
133.06468	3.9
133.10123	5.0
135.07986	1.8
137.05975	2.9
137.09625	1.7
142.07841	1.5
145.10088	3.0
146.03662	6.1
147.08023	4.1
147.11720	8.7
149.09612	5.1
153.06996	2.6
154.07779	2.6
157.10115	11.9
159.11697	2.2
161.05978	12.4
165.07005	18.2
165.12712	2.5
165.18642	1.2
167.08527	1.2
169.10158	1.3
173.09770	1.4
175.11215	12.1
176.73021	1.1
176.80824	1.1
179.08488	2.0
181.06523	6.4
182.07268	9.2
193.06517	14.4
193.12268	44.9
194.07243	2.2
195.08096	1.2
199.07449	1.6
209.05998	2.7
210.06790	15.3
211.07484	1.5
211.13275	6.2
213.09221	1.4
221.05983	20.5
224.08363	2.6
225.09126	33.0
227.06992	5.1
238.06207	5.1
239.07010	4.1
239.10794	1.4
250.76848	1.1
253.08624	44.9
254.09129	3.5
255.06635	2.7
267.10202	6.2
267.15820	11.4
270.08868	4.6
285.11218	52.6
285.18417	4.5
285.21628	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
55.01868	4.0
55.05517	18.3
57.03440	31.5
59.05003	1.6
65.03943	2.3
67.05505	28.5
69.03423	6.3
69.07076	8.2
69.43849	9.7
69.92645	1.3
71.04997	8.8
77.69537	1.3
79.05499	29.8
81.03424	100.0
81.07061	37.6
83.04981	13.6
83.08620	33.9
85.02910	54.3
85.03436	1.8
85.06539	3.8
91.05482	37.3
93.07049	19.7
95.04971	38.5
95.08617	11.5
97.02898	3.0
97.06527	6.3
97.10178	3.4
99.08078	1.6
102.31225	1.7
104.66661	1.5
105.07037	29.4
107.04959	8.9
107.08609	9.5
109.06528	8.0
109.10165	6.1
111.04429	3.2
111.08075	15.3
113.06005	5.2
117.07030	1.7
119.04940	1.7
119.08602	21.9
121.10154	14.5
123.08069	3.0
123.11688	4.6
123.71925	1.3
125.05980	1.6
128.06224	1.9
129.07005	13.0
131.08586	13.4
133.06494	4.1
133.10133	12.9
135.08098	2.0
137.09642	3.2
142.07747	3.7
145.10081	2.7
147.08034	3.9
147.11696	24.9
149.09578	7.7
151.11160	1.7
153.06976	2.0
157.10133	24.7
159.11627	1.6
161.06001	3.6
165.01903	2.1
165.07045	5.7
165.12779	6.4
166.62894	1.4
171.11765	1.5
175.11205	19.4
182.07272	2.4
193.06540	7.0
193.12265	81.0
210.06755	3.6
211.07445	2.4
211.13292	45.5
221.05986	4.6
225.09113	9.4
229.14392	4.0
239.06989	1.7
253.08614	19.9
267.15924	8.0
267.25156	2.1
285.07761	3.7
285.11313	14.8
285.16968	39.3
285.21918	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
55.01862	3.3
55.05511	20.8
57.03203	1.9
57.03446	29.3
58.60459	2.0
63.00026	3.0
67.05508	31.0
69.03433	7.6
69.07055	8.8
70.54782	4.1
71.05008	9.6
73.72952	2.0
79.05089	1.8
79.05500	33.1
81.03426	100.0
81.06597	2.7
81.07060	40.1
83.04985	15.9
83.08622	30.6
85.02911	51.8
85.06539	3.0
91.05488	36.8
93.07061	24.4
95.04976	38.1
95.08603	17.7
97.02878	6.0
97.06564	9.6
97.10152	5.4
99.08089	2.9
105.07041	27.0
107.04962	6.9
107.08586	11.9
109.06525	6.4
109.10147	5.8
111.04424	4.2
111.08089	22.4
113.06010	4.5
115.05518	3.2
115.59867	1.6
117.06969	3.7
119.08591	23.9
121.06458	3.0
121.10152	13.5
123.08054	2.8
123.11664	3.0
125.05879	2.4
125.09610	4.6
127.49944	1.9
129.07036	14.0
131.08585	16.1
133.06467	5.0
133.10117	10.1
135.08060	2.4
137.06000	3.9
142.07816	3.6
145.10088	4.1
146.03625	5.5
147.08093	2.7
147.11711	24.2
149.09602	8.2
151.03827	2.2
153.06972	2.2
153.09123	2.1
157.10152	19.6
161.05977	9.7
165.01752	2.0
165.07004	17.7
165.12752	6.6
168.05789	2.1
171.08138	2.5
175.11217	26.2
179.08488	2.8
181.06525	5.7
181.08427	1.9
182.07254	6.2
193.06517	15.3
193.12262	82.3
195.07993	2.4
209.05992	2.1
210.06761	9.8
211.07492	2.1
211.13306	45.2
214.75175	2.6
221.05988	20.1
224.08313	4.3
225.09082	29.5
227.07018	4.1
229.14360	5.5
238.06297	4.8
239.07022	3.3
253.08606	31.4
255.06635	2.4
267.10193	7.4
267.15887	8.7
267.25235	2.9
270.08755	3.4
285.07687	4.3
285.11188	39.1
285.16855	32.8
303.92221	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
55.01874	3.4
55.05296	1.7
55.05516	14.7
57.03440	17.1
59.04997	2.0
65.03960	1.5
67.05508	25.5
69.03416	4.3
69.07070	5.7
70.06619	1.8
71.05006	7.7
71.51274	1.6
79.05498	23.1
81.03423	100.0
81.07056	30.4
83.04982	9.6
83.08627	25.4
85.02911	25.2
85.06522	1.4
85.09265	1.2
91.05486	24.1
93.07047	17.1
95.04972	32.3
95.08608	11.9
97.02895	5.4
97.06539	4.1
97.10194	2.5
98.79577	1.2
103.05508	1.5
105.07031	23.1
107.04956	6.1
107.08589	11.4
109.06524	4.4
109.10166	5.5
111.04443	4.0
111.06883	1.4
111.08096	14.1
113.06035	3.2
115.05499	2.5
117.07066	2.8
119.08604	16.6
121.06500	3.1
121.10158	10.3
123.08080	3.4
123.11752	1.9
125.09605	2.9
128.06258	1.7
129.07018	9.0
131.08589	11.3
133.06483	2.7
133.10170	8.7
135.04428	4.1
142.07808	3.1
145.10150	3.7
146.03575	2.2
147.08096	1.9
147.11697	12.9
147.38493	1.4
149.06004	1.6
149.09613	6.7
151.07617	1.4
153.05496	1.6
157.10168	14.5
159.11705	1.6
161.05965	6.4
163.11145	2.6
165.06989	8.3
165.12796	3.4
169.10164	1.5
171.11674	2.1
175.11189	16.4
181.06505	3.0
183.09209	3.2
184.10004	2.7
187.85191	1.3
193.06540	6.0
193.12259	64.3
197.10786	5.0
201.17476	1.2
204.99504	1.3
207.08026	1.7
210.06731	6.6
211.08788	3.0
211.13332	20.8
212.09412	4.1
221.06067	8.1
225.09198	12.1
225.10753	1.8
226.11156	1.6
237.47244	1.4
238.06186	1.6
243.11339	2.2
253.08617	21.5
257.12964	2.4
267.16016	10.9
270.08932	2.1
285.07657	3.4
285.12027	34.6
285.16953	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01865	3.3
55.05516	11.9
55.98225	0.9
57.03438	7.1
65.03923	1.6
67.05185	1.2
67.05509	17.3
69.03416	3.9
69.07068	9.4
71.01307	0.9
71.04991	3.6
71.50974	1.3
72.97015	1.0
79.05497	16.7
81.03423	100.0
81.06599	1.2
81.07060	23.3
83.04996	7.5
83.08150	1.6
83.08623	22.7
85.02909	9.6
85.06550	1.8
86.09699	1.0
91.05486	24.5
93.06492	1.2
93.07050	16.9
95.04369	1.7
95.04977	28.4
95.08620	11.5
97.02887	4.4
97.06523	3.5
97.10157	2.8
98.98450	1.2
100.11222	2.2
105.07037	20.0
107.04964	7.6
107.08598	11.5
109.06505	3.8
109.10149	7.5
111.04433	2.2
111.08083	10.2
115.05453	2.0
117.06987	4.7
119.04946	1.6
119.07806	1.4
119.08594	17.1
121.06505	3.3
121.10142	9.0
123.08042	3.1
123.11681	2.1
125.09649	1.2
128.06215	1.9
129.07008	12.5
130.87505	1.2
131.08568	13.8
133.06483	4.2
133.10159	10.9
135.08038	1.7
135.11649	3.3
137.05965	2.4
137.09587	2.1
141.06985	1.4
142.07790	4.7
143.08565	4.5
145.10135	6.1
146.03638	1.7
147.07045	1.0
147.08072	4.1
147.11717	11.1
149.09642	4.6
153.06993	1.2
153.12758	1.1
154.07753	1.1
155.08572	1.9
156.09358	1.7
157.06451	1.3
157.10144	15.2
159.08133	1.9
159.11714	4.6
161.05977	9.0
161.09645	1.5
161.13252	2.2
163.07552	1.3
163.11122	1.4
165.07014	10.4
165.09003	1.1
165.12726	3.1
167.08595	1.7
169.10109	3.3
171.08101	1.0
171.11664	3.3
173.09557	1.3
173.13248	2.6
175.11198	14.2
181.06477	2.4
182.07312	5.2
183.08058	1.6
183.11697	2.8
184.08943	1.5
185.09558	2.0
185.13297	2.3
187.11243	1.1
187.14761	1.7
193.06505	7.9
193.12257	44.6
194.07228	1.0
196.05217	1.7
197.05974	1.6
197.13264	2.4
199.03975	1.2
199.14818	6.6
201.08971	1.4
201.12691	0.9
201.16441	1.0
207.08211	0.9
209.05997	1.8
210.06792	6.6
211.07533	3.8
211.13274	10.5
211.14980	2.0
212.08325	2.0
213.16440	1.9
221.05962	10.3
225.09097	20.3
225.16281	1.6
227.07030	1.6
227.17873	1.5
228.04042	1.2
229.12202	1.3
238.06264	3.9
239.07007	5.3
239.14563	1.2
239.17882	2.1
241.08716	1.3
241.12251	3.5
242.05733	2.3
243.11290	2.7
247.06909	1.1
253.08611	36.4
254.09329	1.7
257.11636	1.2
267.10126	1.8
267.15970	10.6
267.21039	4.2
270.05209	5.9
270.08994	1.8
271.05899	1.8
285.07611	14.8
285.11267	23.5
285.18445	5.1
285.22110	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	285.0758
Annotation	Acacetin
Peak:m/z	Relative Intensity
55.01848	0.5
55.05483	0.9
56.07572	0.3
57.03404	0.5
67.05494	1.6
69.03378	0.3
69.07042	1.0
69.61907	0.3
70.11268	0.7
79.05469	1.3
81.03425	2.0
81.07056	2.8
83.04962	0.5
83.08595	0.7
85.02923	0.6
91.05479	1.4
93.07037	2.0
95.04945	0.9
95.08598	1.9
97.06513	0.5
105.07026	1.8
107.04945	0.4
107.08573	1.4
109.06496	0.5
109.10135	1.0
117.06990	0.7
119.08575	2.1
121.02893	0.4
121.06515	0.5
121.10139	0.9
124.01564	0.4
129.06989	0.7
131.08565	1.0
133.10089	1.0
135.08043	0.3
135.11749	0.6
137.02345	1.4
137.09593	0.3
143.08562	0.8
145.10133	0.8
146.03590	0.4
147.11700	1.7
153.05745	0.3
153.06920	0.5
154.07655	0.4
155.08493	0.7
156.09241	0.4
157.10133	0.7
158.07281	0.4
159.11612	0.6
161.05960	0.9
161.13271	0.5
165.06996	1.6
169.06448	0.3
169.10097	0.6
171.11678	0.7
173.13310	0.7
175.11200	0.6
181.06468	0.4
182.07307	0.8
183.08084	0.3
183.11700	0.5
185.13222	0.4
193.06493	1.0
193.12210	1.0
196.05199	0.4
197.09694	0.4
199.14775	0.7
201.08940	0.3
210.06766	1.1
211.07562	0.6
213.05536	1.8
221.05963	1.5
224.04776	0.4
225.09106	2.6
225.16473	0.5
227.03575	0.5
227.06929	0.3
227.17874	0.8
238.06328	0.6
239.07085	0.8
239.17955	0.5
241.04985	1.0
242.05739	41.1
243.06210	1.0
253.08575	4.1
257.08148	0.4
257.11691	0.5
267.10168	0.6
267.21085	1.0
270.05234	53.7
271.05707	1.0
285.07581	100.0
285.22171	4.0
286.07794	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0993
Annotation	Guanosine
Peak:m/z	Relative Intensity
55.01890	0.2
55.02993	0.2
56.96573	0.9
57.03461	0.4
66.87864	0.2
69.03410	0.2
70.06601	0.3
70.31474	0.7
70.32333	0.2
71.01369	0.2
71.95287	0.2
82.99847	0.4
84.08129	0.2
85.02908	0.3
88.09801	0.2
98.20804	0.2
98.97593	4.4
100.97227	0.2
101.00886	2.2
107.56569	0.2
109.05133	0.6
110.03542	2.8
116.98630	1.8
119.01930	2.5
122.01438	0.3
128.04549	0.7
131.01917	0.5
134.04533	0.2
134.99698	0.3
135.03032	6.7
136.06203	0.7
137.01923	0.3
137.02911	0.3
140.98828	0.4
143.01904	0.5
149.52005	0.2
152.05685	100.0
153.04094	5.8
153.06023	0.3
158.99947	0.9
161.02982	0.2
173.02959	0.5
175.03003	0.2
177.00952	4.3
178.01059	0.5
181.01921	0.2
182.99876	0.4
201.00899	1.2
201.02504	0.4
217.04065	0.8
219.02020	6.3
219.06967	0.2
220.02187	0.5
221.01711	0.2
225.00908	0.8
234.03632	0.3
237.98694	0.8
243.02026	4.2
261.00021	1.2
261.03073	36.6
262.03189	1.2
279.00546	1.7
284.00076	0.4
284.04703	0.9
284.09921	0.5
302.01266	0.6
303.04218	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99872	2.3
53.03945	6.7
55.01864	5.5
55.05520	2.8
57.03439	7.4
61.02927	6.4
67.05505	4.2
68.99801	3.8
69.03433	38.1
71.05000	7.0
71.51330	4.0
73.02932	13.3
76.03992	5.0
79.05486	4.8
81.03425	31.8
81.07045	4.9
83.08647	2.4
85.02910	100.0
87.00835	41.7
93.07077	2.5
95.08590	4.2
97.02901	67.1
99.04447	15.3
105.01881	64.6
105.07008	2.6
108.04474	9.5
109.02887	38.4
109.10207	3.3
117.01887	4.1
120.08241	2.6
126.05502	6.0
127.03926	89.2
129.01842	3.4
145.04970	71.8
147.02948	4.1
159.02888	36.3
213.03954	3.7
230.06592	3.0
231.05054	26.4
248.07735	3.7
249.06096	7.1
250.99046	2.4
268.07819	3.7
282.09503	3.7
284.10950	10.4
284.20718	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	284.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04157	3.0
53.03951	6.2
55.01870	9.0
55.05506	6.0
55.35366	2.6
56.69031	3.0
57.03438	7.2
59.80102	2.5
61.02931	4.9
67.05487	4.4
68.99759	2.9
69.03429	32.6
69.07066	5.7
69.29323	11.0
69.29743	13.0
71.05000	8.2
72.66889	2.8
73.02926	7.9
79.05486	8.2
80.05843	2.9
81.03419	30.7
81.07064	14.5
82.07411	4.1
82.71941	2.9
83.69643	2.8
85.02916	95.3
87.00838	42.2
88.30505	3.1
91.05504	6.2
92.05778	3.6
93.07043	11.1
94.07397	3.4
95.08610	8.8
97.02900	62.3
99.04469	20.2
102.36803	2.8
102.86157	2.8
105.01875	51.3
105.07016	12.6
106.07372	6.7
107.08588	5.2
108.04497	5.3
108.08955	4.0
109.02874	34.1
109.26755	2.9
109.51827	2.7
117.01884	5.7
119.08589	6.3
120.08929	4.0
121.10172	3.9
126.05531	3.9
127.03929	100.0
129.01799	4.0
129.06941	4.0
131.08536	4.2
132.08952	3.8
133.10172	4.5
134.10526	3.5
143.08513	3.1
144.08888	6.1
145.04979	75.9
145.06172	4.0
145.10091	7.6
146.10443	6.4
147.02930	4.4
158.10506	3.4
159.02916	28.2
159.11732	4.3
160.12022	5.2
160.40385	3.0
170.10493	3.8
172.12108	5.1
186.13554	3.4
200.15273	5.5
210.13629	6.1
212.15135	3.6
213.03851	3.4
213.09209	3.2
224.15138	3.0
231.05042	26.7
249.06146	6.7
253.08467	3.4
266.19849	13.5
284.10022	8.9
284.17908	5.3
284.20889	50.3
285.22113	5.2
303.96649	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	283.2057
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
53.03950	3.5
54.94164	0.6
55.01859	1.1
55.05515	6.3
57.07075	0.9
65.03946	1.6
67.05508	22.1
69.03410	0.9
69.07072	5.5
69.97816	2.1
69.98232	1.5
71.04986	1.2
71.15433	0.7
77.03944	1.0
79.05076	1.3
79.05496	18.1
81.07061	25.0
83.04967	2.0
83.08605	1.5
88.79716	0.7
90.86865	0.6
91.04916	1.2
91.05486	29.1
93.07046	33.5
94.35343	0.8
95.04996	3.3
95.07996	1.2
95.08610	23.2
97.06515	2.3
97.85714	0.8
98.21411	1.1
105.07034	30.5
107.04934	0.9
107.07893	1.1
107.08601	18.3
109.06557	3.3
109.10152	7.1
111.08080	1.9
115.05465	2.3
116.06231	1.0
117.07030	14.5
119.08591	21.9
121.06504	2.6
121.10152	7.3
123.08075	3.0
123.11715	0.8
123.41156	0.7
128.06235	3.6
129.07014	14.2
130.07796	3.2
131.08569	27.4
133.06517	0.9
133.10141	15.0
135.08029	2.1
135.11662	4.2
137.09572	1.3
141.06978	6.8
142.07790	5.8
143.08568	18.0
144.09358	2.2
145.06483	1.2
145.10129	22.1
147.08040	1.8
147.11685	8.3
149.09608	2.6
149.13254	1.7
152.06174	0.7
153.06969	2.5
154.07787	1.7
155.08578	11.9
156.09372	3.9
157.10135	20.2
158.10873	1.5
159.08098	1.0
159.11693	17.6
161.09642	1.6
161.13255	5.2
165.07002	1.8
165.12755	0.7
166.07841	1.0
167.08597	6.5
168.09349	1.9
169.10130	12.7
170.10892	0.8
171.10268	1.1
171.11687	16.5
173.09605	2.4
173.13263	13.1
174.25853	0.7
175.11179	2.4
175.14848	1.5
177.12813	0.9
179.08554	2.8
180.09344	1.9
181.10130	9.8
182.10852	2.3
183.11708	13.1
184.12444	1.0
185.09659	1.2
185.13257	12.2
187.11142	2.3
187.14819	3.0
189.12720	3.9
191.14206	0.8
193.10190	1.0
194.10880	1.6
195.11719	11.8
196.12498	1.3
197.13255	12.4
198.13824	0.8
199.11157	1.0
199.14830	10.1
201.12759	2.0
201.16365	1.2
203.14355	1.0
207.11717	1.3
209.13274	12.9
210.14070	1.6
211.14766	4.8
213.12746	2.0
213.16345	3.6
215.14275	1.5
221.13203	1.2
222.14059	1.1
223.14804	10.0
224.15550	1.4
225.16393	19.8
226.17079	1.6
227.14398	3.7
227.17989	2.9
236.15561	1.1
237.16437	5.8
239.18016	3.2
241.15813	1.7
241.19551	0.9
253.19536	1.6
255.17404	1.9
255.21130	10.1
265.16635	0.8
265.19537	31.4
283.20569	100.0
284.20868	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2058
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
50.23067	1.1
53.03939	3.1
55.01844	1.9
55.05514	6.3
57.03423	1.8
57.07064	1.4
58.28986	1.0
62.40498	1.3
67.05185	1.4
67.05510	18.0
69.03421	4.3
69.07076	9.3
71.04985	3.3
77.57468	1.1
79.05497	19.8
81.06590	1.9
81.07061	27.7
81.92579	1.2
83.04959	4.4
83.08607	1.8
85.02921	1.4
85.06539	2.9
91.05485	27.2
93.06493	2.0
93.07050	30.5
95.04942	2.6
95.08614	20.4
97.06532	4.9
97.10187	1.7
99.04466	1.3
105.07037	27.5
107.04955	1.5
107.08601	19.8
109.06539	3.6
109.10159	9.7
111.08085	2.5
113.09635	1.4
115.05448	2.8
117.07011	14.5
119.08595	15.7
121.06506	3.8
121.10162	8.4
123.08013	1.8
123.11685	1.9
127.03960	1.6
127.11213	3.0
128.06219	3.7
129.07008	13.8
131.08571	20.2
133.10138	14.9
135.08067	3.2
135.11694	5.1
137.09637	2.3
141.06981	5.0
142.07767	4.9
143.08571	15.9
144.09210	1.6
145.10121	20.1
147.08046	2.3
147.11664	8.6
149.09602	1.6
149.13248	2.4
151.07532	4.1
153.06967	2.7
155.08577	11.6
155.10606	2.4
156.09314	3.2
157.10135	19.2
158.10963	1.2
159.11697	13.6
161.09598	2.9
161.13243	4.5
163.11124	1.9
165.07013	4.1
167.07315	1.4
167.08585	8.3
168.09299	2.0
169.10132	12.3
171.11699	15.3
173.09641	2.1
173.13292	9.9
175.11159	3.1
179.07085	2.4
179.08556	3.8
180.09380	1.8
181.10106	8.2
182.10948	2.5
183.11711	10.6
185.09561	2.2
185.13248	11.1
187.11125	3.5
187.14816	2.7
189.12782	3.2
193.10072	1.4
194.10950	2.6
195.11693	8.2
197.07993	2.2
197.13280	13.9
199.14798	10.5
207.11700	1.9
209.13266	12.0
211.14801	5.1
213.12672	3.4
213.16394	3.0
215.14397	2.2
223.14827	6.9
225.16393	9.6
227.14316	5.1
227.17847	1.8
236.15118	1.3
237.09148	1.6
237.16434	4.0
239.17915	3.2
241.16087	3.1
255.17331	2.4
255.21040	11.1
265.19559	26.1
283.06445	1.4
283.09738	4.9
283.17059	5.3
283.20566	100.0
284.20932	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2058
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
52.11457	1.0
53.03942	2.9
54.30455	1.2
55.01864	4.8
55.05514	13.1
57.03442	9.5
57.07084	2.5
59.02040	1.0
65.03940	2.4
65.66103	1.2
67.05506	35.4
69.03410	3.1
69.07072	11.3
69.32375	5.3
69.32793	3.7
71.04994	3.7
73.02905	1.5
77.03908	2.3
79.05497	39.1
81.03416	2.9
81.06594	2.2
81.07063	40.5
83.04983	5.9
83.08626	8.0
85.02892	1.6
85.06565	2.2
91.05489	32.7
93.07050	59.1
95.04994	8.5
95.08611	51.1
97.02894	4.1
97.06542	5.6
97.10148	1.4
98.21565	2.2
99.04448	2.9
103.05473	1.8
105.06312	1.3
105.07037	33.3
107.04971	8.1
107.08605	37.4
109.06551	6.6
109.10165	16.0
111.04476	1.4
111.08096	3.9
115.05450	2.1
117.07021	21.8
119.08583	26.1
121.02901	2.2
121.06525	8.6
121.10149	19.9
121.10943	1.9
123.08078	4.3
123.11710	2.8
128.06216	5.0
129.07007	13.7
130.07808	2.6
131.08577	26.3
132.38759	1.1
133.06468	2.0
133.10136	15.4
135.08076	5.2
135.11700	35.0
135.12730	1.8
136.12038	1.2
137.06085	1.2
137.09671	2.7
139.07556	1.7
141.06984	6.8
142.07803	5.2
143.08580	17.3
144.09364	1.3
145.06546	1.5
145.10129	36.5
147.08069	3.0
147.11684	9.7
149.09613	3.5
149.13271	4.8
151.07462	1.0
153.07060	1.6
154.07733	1.1
155.08571	13.1
156.09346	3.7
157.10153	16.7
158.10912	1.8
159.11690	18.9
161.09615	1.3
161.13269	5.2
163.11192	44.0
165.07031	3.5
167.08582	4.7
169.10133	13.5
171.11707	12.6
173.09663	3.0
173.13272	12.1
175.11209	4.2
177.12785	1.1
179.08578	3.0
180.09436	2.2
181.10127	9.6
181.12221	8.4
183.11714	11.5
185.13281	9.7
187.11180	2.7
187.14859	3.3
189.12802	4.2
191.14330	2.9
193.10150	1.2
194.10915	2.5
195.11655	10.2
197.13274	11.3
199.11198	2.0
199.14784	7.0
201.12776	2.4
201.16280	1.3
209.11652	1.4
209.13309	11.9
209.15259	1.8
210.14082	1.7
211.14792	3.4
213.12720	1.9
213.16444	4.5
215.14249	2.0
221.13269	2.0
223.14810	8.8
225.16423	16.8
227.12746	56.7
227.17828	1.6
237.16449	6.4
239.17979	2.9
241.15773	2.8
241.55193	1.1
253.19441	1.8
255.17400	1.2
255.21057	9.2
265.19550	28.6
283.10031	1.8
283.15826	15.2
283.20596	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2056
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
51.10309	1.0
53.03934	1.9
55.01868	1.7
55.05510	7.3
55.95760	1.1
57.07055	2.4
59.04976	1.0
65.03918	1.5
66.83665	1.0
67.05507	16.2
67.37183	1.1
69.03407	2.5
69.07072	4.9
70.63225	1.8
70.63548	1.1
71.04996	2.8
74.18638	1.1
77.03889	1.4
78.81049	0.9
79.05497	18.5
81.07062	33.3
83.04997	2.1
83.08610	3.2
85.06528	2.0
86.82411	1.0
91.05480	21.9
93.07054	32.6
95.04998	5.2
95.08614	23.8
95.09200	0.8
97.02917	1.2
97.06538	7.2
100.11262	8.2
103.05483	1.2
105.07034	30.7
107.04957	1.7
107.08599	20.0
109.06499	3.7
109.10159	10.8
111.08086	1.7
115.05511	2.9
117.07015	9.0
119.08585	23.0
121.02845	1.3
121.06506	3.8
121.10155	10.9
123.08107	2.1
123.11688	3.5
128.06221	3.6
129.07013	11.0
130.07793	2.5
131.07605	1.6
131.08574	28.1
133.06541	1.4
133.10132	15.3
133.32658	1.0
135.08066	2.7
135.11687	3.9
137.09598	1.6
141.06976	5.5
142.07800	4.7
143.08575	18.9
145.09050	2.1
145.10135	25.9
147.08044	2.4
147.11696	9.8
149.09613	2.1
149.13268	1.2
153.06987	1.9
154.07755	1.1
155.08565	13.4
156.09366	2.4
157.10136	14.8
159.08122	1.8
159.11707	13.9
161.09598	3.1
161.13254	3.4
163.11208	2.6
166.07744	1.9
167.08543	4.8
168.09366	2.0
169.10143	9.5
170.10867	1.4
171.11691	14.2
173.09602	1.9
173.13280	13.5
175.11134	3.1
179.08594	2.8
180.09410	1.8
181.10052	6.9
182.10925	1.8
183.11671	11.6
184.16919	1.3
185.13287	9.9
187.11188	1.6
187.14854	4.3
189.09032	2.0
189.12721	5.5
193.10121	1.6
194.10945	2.4
195.11697	8.9
196.12451	1.7
197.13277	12.4
199.11150	2.1
199.14844	15.2
199.18045	2.6
201.12682	2.5
201.16512	1.3
201.19716	1.3
203.14200	1.5
207.11545	1.2
208.12520	1.3
209.13254	9.4
210.13962	1.1
211.14784	2.7
213.12639	2.5
213.16302	2.8
215.14307	2.0
223.11258	1.2
223.14850	8.1
225.16451	15.2
227.10823	1.3
227.14328	4.4
227.17941	2.2
237.16414	5.9
239.17940	4.9
241.19705	1.1
253.19409	1.4
255.17426	1.6
255.21091	10.2
265.19543	23.3
283.09842	3.0
283.17337	3.5
283.20584	100.0
283.23483	3.8
284.20895	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2058
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
50.25431	1.1
53.03944	3.2
55.01877	1.8
55.05527	4.9
57.03416	1.2
57.07061	1.4
67.05508	14.0
68.10796	0.8
68.87939	0.9
69.03419	3.4
69.07080	5.8
70.87002	1.0
71.04996	1.1
71.51054	1.2
74.10631	1.0
79.05499	15.1
81.03403	2.0
81.07059	29.8
83.04973	4.5
83.08620	2.5
85.02891	3.8
88.21548	1.2
91.05482	15.7
93.07047	21.0
95.04951	4.9
95.08598	18.7
97.02875	2.2
97.06520	2.9
105.01859	1.7
105.07037	29.8
107.08599	13.3
109.02852	1.2
109.06495	2.4
109.10134	4.6
111.08071	1.5
114.09166	2.0
115.05463	2.4
117.06995	7.8
119.08580	13.9
121.06502	1.7
121.10153	7.0
123.08069	2.9
125.09597	1.1
127.03927	3.0
128.06241	3.0
129.07019	10.3
130.07782	1.5
131.08580	21.2
133.10129	9.8
135.08043	2.3
135.11676	5.8
137.09578	1.5
140.52672	1.1
141.06982	5.6
142.07765	4.5
143.08572	14.7
144.09341	2.0
145.05023	2.3
145.06323	1.2
145.10124	19.1
147.08006	2.4
147.11688	12.0
149.09581	2.6
149.13264	1.7
153.06992	1.2
154.07729	2.0
155.08537	9.4
156.09322	2.9
157.10132	12.7
159.08057	2.5
159.11722	11.2
161.09671	2.6
161.13275	4.2
163.11197	4.3
165.07042	2.5
167.08553	5.0
168.09300	1.8
169.10127	8.0
170.10854	1.4
171.08040	1.1
171.11697	11.6
173.09618	2.9
173.13268	10.8
175.11218	2.9
177.08957	1.2
179.08611	2.2
180.09280	1.6
181.10100	9.3
182.10944	2.4
183.11736	9.8
185.09634	1.4
185.13307	10.3
187.11168	3.5
187.14836	3.3
189.12743	3.3
190.98535	1.2
191.14287	1.5
194.10904	3.0
195.11729	9.4
197.13246	8.1
199.11082	1.1
199.14830	9.2
201.12749	3.0
207.11789	1.8
208.12468	1.4
209.13266	11.5
211.14877	4.4
213.12912	1.6
213.16293	2.8
215.14325	2.2
222.14142	1.3
223.14861	8.7
225.16322	9.4
227.14305	3.7
227.17871	1.7
235.14961	1.4
237.16426	4.8
239.17911	1.8
241.15932	2.6
255.17461	2.9
255.21059	9.2
265.19534	21.8
266.20004	1.1
283.09665	1.7
283.20578	100.0
284.20917	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2058
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
51.18950	0.6
53.03938	1.4
54.99026	0.7
55.05511	7.4
57.03426	2.5
57.07079	0.7
67.05508	11.4
69.07072	4.6
69.22665	6.6
74.69941	0.7
75.04668	0.8
79.05499	9.9
81.07066	18.8
83.08617	3.2
89.06003	1.2
91.05487	14.0
93.07048	15.2
95.04945	1.5
95.08618	20.7
97.06545	3.6
97.10154	3.1
98.20735	1.7
99.08105	1.8
105.07039	23.4
107.04936	1.0
107.08611	15.7
108.71092	0.7
109.06512	2.6
109.09478	1.1
109.10174	15.5
111.08122	1.5
115.05454	0.8
117.07014	7.8
119.08600	23.5
121.06483	2.4
121.10160	12.8
123.11728	1.3
128.06230	3.0
129.07005	7.5
130.07753	1.1
131.08586	21.3
133.06517	1.8
133.10156	12.9
135.08087	1.1
135.11737	5.1
137.09645	0.9
141.07004	1.8
142.07779	4.9
143.08568	22.7
144.09334	1.7
145.10135	28.9
147.08084	1.3
147.11694	14.1
149.13275	1.5
155.08563	6.0
156.09315	3.2
157.10141	30.9
158.10878	1.5
159.11713	27.5
159.13052	1.4
161.09564	1.0
161.13304	6.4
163.11188	7.2
165.07022	1.5
167.08528	2.0
168.09299	1.9
169.10139	13.0
170.10870	1.0
171.11705	10.9
173.09660	2.6
173.13283	25.6
175.11206	2.9
175.14804	3.2
179.08507	0.9
180.09320	1.5
181.10100	4.0
181.12198	0.9
182.10837	0.8
183.11719	13.4
184.12448	1.2
185.13272	14.8
187.11200	5.3
187.14807	2.7
193.10120	1.1
194.10918	0.9
195.11623	7.3
197.13361	4.7
199.14830	60.1
201.12828	6.2
203.14406	0.9
209.13309	6.6
211.14861	1.6
213.12782	1.6
213.16428	4.6
216.02164	0.8
223.14835	6.6
225.16409	5.6
227.12645	7.0
227.14708	1.4
227.17999	4.7
237.16440	6.2
239.17810	1.0
241.15852	2.9
241.19563	1.3
255.11176	0.8
255.17526	5.5
255.21101	55.7
256.21426	1.0
265.19522	17.6
283.16992	12.6
283.20551	100.0
284.20874	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2058
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
50.16964	1.3
51.71974	1.3
53.03947	2.4
55.05499	6.1
57.07053	3.3
57.52528	1.5
60.45244	1.4
60.63055	1.4
65.03921	1.5
67.05227	1.2
67.05508	13.3
69.03422	3.5
69.07070	6.9
70.73026	3.8
71.04970	2.9
79.05492	14.3
81.07058	24.6
83.04987	2.4
83.08605	2.8
89.06010	1.8
89.29285	1.5
91.05481	14.6
93.07039	19.7
95.04971	8.1
95.08612	17.0
97.06502	3.3
97.64226	1.5
103.05499	1.9
105.07033	31.7
107.08584	18.7
109.06514	6.4
109.10158	10.1
111.08054	1.8
115.05468	1.5
117.07007	9.6
119.08579	27.7
121.06500	7.4
121.10143	42.3
123.08084	3.6
123.11708	4.9
128.06201	3.4
129.07008	7.1
130.07750	3.9
131.08563	21.8
133.10133	15.8
135.08086	8.0
135.11661	5.4
137.00903	1.4
137.09613	1.7
141.06909	2.7
142.07755	5.2
143.08557	19.5
144.09340	4.1
145.10112	25.3
147.08038	3.4
147.11694	8.8
149.09546	2.0
149.13216	2.9
155.08591	6.8
156.09326	4.4
157.10129	18.7
158.10878	5.6
159.08078	3.7
159.11716	12.9
161.09636	19.4
161.13246	4.0
163.11192	5.2
165.06992	1.6
167.08540	3.0
168.09349	1.9
169.10138	5.7
170.10875	2.7
171.11708	12.6
172.08928	2.0
172.12482	1.9
173.09654	3.9
173.13260	34.9
175.11113	2.5
175.14822	4.7
179.08598	3.4
180.09317	3.0
181.10123	6.3
182.10953	2.8
183.11671	10.2
185.09648	3.8
185.13271	15.0
187.11110	1.9
187.14812	5.6
189.09126	1.7
189.12740	2.7
193.10060	3.6
194.10875	5.3
195.11627	10.6
197.13226	8.1
198.10423	1.4
199.11165	3.2
199.14868	8.1
201.12704	2.7
201.16333	2.5
207.11606	1.9
208.12486	4.0
209.13255	18.3
210.13870	1.5
211.14806	5.2
212.12044	1.6
213.12741	6.5
213.16362	3.0
222.38844	1.6
223.14778	9.0
225.16283	10.3
227.10779	1.9
227.14339	8.8
237.16418	1.7
239.17924	2.4
241.15921	2.4
249.12872	1.6
250.16939	2.3
255.21019	9.1
265.19531	27.2
283.17075	5.0
283.20551	100.0
284.20911	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	283.2059
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
53.03946	2.1
55.01863	1.5
55.05514	9.0
57.03437	1.9
57.07060	1.1
65.03947	1.5
67.03574	1.1
67.05512	14.7
69.03441	1.7
69.07075	5.7
70.08895	2.3
70.09271	4.2
71.04977	3.9
79.05501	14.5
81.03399	2.1
81.07064	31.0
83.04958	3.5
83.08631	2.8
85.06540	1.8
91.04979	1.9
91.05492	21.4
93.06490	1.7
93.07053	31.3
95.04966	4.7
95.08613	23.4
97.06525	5.2
97.10190	1.3
100.58917	1.0
103.36490	1.3
105.07040	36.3
106.63161	1.2
107.04940	2.6
107.08598	21.0
109.06501	4.2
109.10152	8.4
111.08079	1.8
115.05445	2.4
116.24930	1.1
117.07051	11.6
119.08596	18.7
121.06492	4.1
121.10141	9.3
123.08059	3.4
123.11726	1.7
125.09719	1.5
128.06248	4.3
129.07042	11.0
130.07851	2.0
131.08572	28.0
133.10159	12.0
134.69452	1.2
135.08060	4.8
135.11693	5.3
137.05974	1.4
137.09599	3.0
141.07004	5.7
142.07791	5.7
143.08572	19.3
144.09335	1.7
145.10141	25.7
147.08040	2.6
147.11723	8.7
149.13303	2.0
153.07025	1.6
154.07849	1.3
155.08574	14.8
156.09335	4.6
157.10146	17.0
158.10754	1.2
159.08119	1.2
159.11713	19.0
159.78572	1.1
161.09583	3.0
161.13248	2.3
163.07504	2.5
163.11188	3.4
165.07028	3.1
167.08542	6.1
168.09383	3.3
169.10133	15.2
171.08070	1.7
171.11671	11.3
173.09628	2.6
173.13278	12.5
175.11174	2.3
175.14761	1.7
177.12810	1.6
179.08681	1.8
180.09341	3.2
181.10172	9.0
182.10895	4.5
183.11714	11.4
184.56760	1.1
185.09644	2.5
185.13217	7.4
187.11198	1.7
187.14810	3.4
189.09113	3.3
189.12733	4.6
193.10168	2.2
194.10948	2.4
195.11723	10.8
196.12320	1.3
197.13277	23.4
199.11147	1.4
199.14832	18.8
201.12805	1.6
201.16338	1.9
203.14281	2.2
205.12334	1.1
206.80840	1.1
207.11702	1.8
209.13297	9.6
211.14873	5.0
213.09148	3.4
213.12701	3.3
213.16339	3.0
215.14313	1.3
222.13985	1.3
223.13023	1.5
223.14946	7.1
225.16408	16.6
227.14407	3.1
227.17862	1.9
228.11508	4.4
237.16322	6.7
239.17929	3.7
241.12242	2.9
241.15910	2.7
255.17465	3.5
255.21054	9.0
265.19562	24.8
283.17010	7.2
283.20560	100.0
284.20895	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	283.2059
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
53.03933	3.2
55.01865	1.4
55.05513	7.8
57.03420	1.4
57.07057	1.5
65.03926	1.5
67.05509	13.5
69.03429	1.9
69.07079	7.6
69.18495	2.1
69.18902	8.3
79.05077	1.3
79.05498	19.4
81.06608	2.3
81.07063	41.3
83.04963	3.7
83.08608	3.6
85.06548	1.2
91.05486	22.2
91.21732	1.4
93.06496	2.0
93.07053	32.9
95.04965	3.1
95.08612	23.1
95.31114	1.0
96.47509	0.9
97.06513	2.3
98.20785	1.7
102.99497	1.1
105.07036	34.7
107.04955	2.0
107.08592	17.6
108.17373	1.2
109.06489	3.6
109.07191	1.1
109.10152	5.2
115.05430	1.3
116.06217	1.1
117.07030	10.3
119.04913	1.3
119.08590	19.8
121.06519	5.0
121.10163	10.3
123.08050	2.4
123.11748	1.8
126.87812	1.3
128.06235	5.3
129.07004	10.0
130.07761	1.3
131.07747	1.4
131.08580	17.1
133.06476	2.0
133.10146	10.7
135.08031	2.6
135.11674	3.3
140.17773	1.1
141.06976	4.9
142.07767	5.5
143.08580	19.5
144.09279	2.2
145.06474	2.2
145.10143	19.3
147.08038	2.7
147.11729	6.7
149.09576	3.0
149.13205	1.0
153.06952	1.5
154.07776	1.8
155.07524	1.1
155.08566	10.0
156.09341	3.5
157.10143	19.7
159.08049	3.1
159.11710	15.9
161.09535	2.2
161.13321	5.7
163.11201	2.1
165.06944	2.4
167.08568	5.2
168.09311	2.6
169.10136	10.7
170.10910	1.4
171.08096	1.7
171.11682	12.3
173.09625	2.6
173.13287	10.1
175.11171	2.6
175.14754	1.2
179.08556	3.9
180.09364	3.2
181.10066	9.2
182.10910	2.2
183.11676	11.0
185.09665	4.6
185.13319	9.3
187.11194	4.3
187.14867	2.2
189.09106	8.1
189.12779	3.1
194.10910	1.5
195.11713	11.9
197.13258	13.8
198.10321	1.9
199.11148	2.4
199.14828	17.1
201.12698	3.3
202.13570	2.3
203.14320	1.7
209.13277	9.6
211.14787	5.4
212.12018	1.7
213.09125	9.5
213.12880	7.2
213.16339	3.7
215.14304	4.0
221.13289	1.2
223.11313	1.7
223.14780	7.9
225.16347	7.9
226.09821	1.3
227.10591	2.8
227.14413	7.3
227.17908	2.4
228.11485	15.9
228.25497	1.1
237.16402	3.7
239.14319	1.2
239.17915	3.1
240.11446	1.5
241.12234	6.9
241.15976	2.6
241.19281	1.5
255.17487	4.7
255.21156	11.5
265.19553	19.7
283.13681	2.3
283.17010	13.4
283.20544	100.0
284.20898	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01867	5.0
55.05513	17.0
57.03436	7.3
57.07068	8.0
59.04996	3.2
67.05510	39.4
67.39207	2.3
68.99801	3.3
69.03424	5.1
69.07070	19.5
69.98113	10.8
71.05003	28.4
77.69598	2.4
79.05069	3.8
79.05499	42.4
81.03423	4.4
81.07063	51.5
81.30043	2.5
83.04977	7.9
83.08625	9.5
85.02443	3.3
85.02915	52.4
85.06548	4.0
89.06040	3.3
91.05494	40.2
93.07057	57.3
95.04984	12.8
95.08619	42.7
97.02895	3.6
97.06513	4.5
98.55777	1.9
99.04462	3.3
105.04502	3.2
105.07039	45.2
107.04960	6.6
107.08607	84.2
109.06525	21.0
109.10168	29.1
111.04466	5.7
111.08108	10.3
113.06014	2.6
115.05483	5.6
117.07004	16.5
119.08597	27.5
119.55856	2.1
121.06519	11.1
121.10146	32.6
123.04443	2.6
123.08080	7.1
123.11680	6.0
125.06001	6.1
125.09659	16.5
128.06227	6.8
129.07019	13.4
130.07800	2.5
131.08566	29.8
133.06461	3.0
133.10167	24.5
135.04460	3.4
135.08076	35.4
135.11676	29.7
137.06004	16.9
137.09633	4.4
137.13261	6.3
141.06970	6.9
142.07813	5.8
143.08582	23.4
145.10132	35.8
147.08058	7.1
147.11697	9.3
149.09641	70.3
149.13239	3.3
151.07533	10.4
153.05479	10.7
153.06926	4.1
153.09195	6.0
153.12752	11.4
155.08598	14.9
156.09492	5.4
157.10156	23.1
159.08109	4.7
159.11719	20.1
161.05949	5.1
161.09621	9.4
161.13208	3.8
163.07535	5.8
163.11200	34.4
165.06985	6.9
165.09119	2.8
167.08556	7.3
168.09366	2.6
169.10136	13.0
171.08076	5.3
171.11768	13.3
172.08817	4.0
173.09599	7.8
173.13260	21.3
175.07553	6.9
175.11246	3.6
177.09108	27.7
177.12769	5.6
179.07034	6.5
179.08508	4.3
179.10637	4.8
180.09355	3.9
181.08705	3.0
181.10136	12.3
181.12250	19.8
182.10898	3.4
183.08096	4.1
183.11699	7.8
185.09613	8.1
185.13251	11.5
185.20409	2.2
187.07611	3.1
187.11232	4.7
189.09109	32.9
189.12762	3.2
191.10722	2.6
191.14404	2.7
193.10126	5.2
195.08524	2.1
195.10162	13.0
195.11772	9.1
197.09671	5.2
197.13293	8.5
198.10361	3.3
199.11192	8.1
199.13214	5.0
199.14890	12.4
201.12767	4.4
203.10658	8.6
205.12263	19.4
207.10178	9.0
209.09773	3.4
209.13333	12.1
211.11310	5.1
211.14835	3.6
212.08368	4.6
212.11948	2.6
213.09158	14.0
213.12744	15.4
213.16391	4.8
215.14328	3.3
219.13779	9.5
223.13168	22.9
223.15126	5.7
225.09164	5.5
225.12930	4.2
225.16466	4.0
226.09869	5.2
227.10661	19.6
227.12817	16.8
227.14705	4.1
228.11528	13.1
229.12212	5.7
237.09070	3.4
237.16393	8.1
239.10736	8.3
240.11543	6.9
241.12244	23.9
241.16029	3.9
247.13281	13.6
253.12254	7.4
254.12991	7.2
255.13893	4.0
255.17500	7.7
255.21118	10.9
265.14310	40.3
265.19550	28.8
268.14651	8.7
281.15643	3.0
283.06427	5.5
283.09698	9.1
283.16910	100.0
283.20572	99.1
283.23032	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01869	4.8
55.05270	1.0
55.05514	12.7
57.03439	11.9
57.07070	2.1
67.05510	22.4
69.03422	2.2
69.07074	8.6
71.05000	3.4
71.05329	0.6
73.02906	2.2
79.05496	32.4
81.03403	3.0
81.07061	23.5
83.04979	5.3
83.08624	9.5
85.06516	0.7
89.06021	1.4
91.05489	10.1
93.07048	43.1
95.04970	9.5
95.08614	43.1
97.02905	4.6
97.06534	3.6
97.10137	1.4
99.04465	4.7
103.05441	1.3
105.04510	0.9
105.07041	10.2
107.04964	10.8
107.08601	32.4
109.06526	3.8
109.10165	3.8
111.04446	2.3
111.08092	1.7
113.06020	0.8
115.05444	1.1
117.07024	11.7
119.08592	11.4
121.06509	6.8
121.10148	15.1
125.06003	3.9
130.07813	2.1
131.08583	2.1
133.10130	2.6
135.08061	2.7
135.11699	53.4
139.07556	2.3
143.08545	2.3
145.06540	0.9
145.10133	31.2
147.08124	1.1
149.63922	0.8
149.83392	0.7
153.12799	1.4
155.08543	1.4
156.15004	0.8
157.10147	0.9
159.11781	0.7
163.11189	75.3
171.11635	0.9
173.09613	2.2
181.12231	16.8
181.13731	1.3
191.10732	1.2
199.14754	1.6
209.11662	2.3
227.12798	100.0
228.13144	2.2
234.04283	0.7
255.15796	1.8
255.21248	1.1
283.15421	24.1
283.20316	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01872	4.1
55.05510	14.6
56.05844	2.0
57.03438	9.7
57.07084	8.5
65.03938	1.5
67.05509	20.6
69.03410	2.2
69.07074	15.5
70.07381	2.4
70.69424	2.4
71.04974	3.1
71.08621	2.6
72.04498	1.3
73.02940	1.7
77.41244	1.4
79.05498	30.8
81.03427	2.3
81.07063	21.8
82.07393	1.4
83.04974	4.8
83.08624	14.0
84.08943	1.7
85.06567	1.4
85.10185	1.7
89.06031	13.2
91.05479	9.6
92.32027	1.4
93.06485	2.4
93.07053	42.6
95.04993	7.0
95.08614	43.8
96.08942	1.8
96.96734	1.3
97.02910	6.0
97.06513	5.8
97.10175	5.5
98.10513	2.6
99.04446	4.4
100.07606	1.8
105.07035	10.1
107.04976	8.6
107.08601	30.6
109.10168	3.7
110.10503	1.7
111.04474	2.4
111.08092	3.5
117.07033	10.3
119.08594	11.9
121.06525	7.2
121.10154	14.7
123.11731	1.4
125.05975	3.4
129.07014	1.6
130.07811	3.3
131.08586	1.8
133.08583	4.4
133.10112	4.3
134.09662	4.9
135.08075	2.6
135.10033	2.6
135.11702	54.4
136.11946	1.6
137.13171	1.5
139.07497	1.8
143.08569	3.5
145.10135	29.0
149.13153	1.6
155.08525	1.6
157.10141	2.2
163.11183	66.4
171.11687	1.7
181.12254	17.5
199.14842	2.1
227.12804	100.0
248.24553	5.6
266.25659	2.6
283.15381	20.9
283.20319	6.2
283.22537	11.7
283.28574	11.2
284.29477	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.2
55.01864	4.7
55.05516	14.7
57.03437	12.6
57.07076	1.4
65.03925	1.7
67.05505	23.7
69.03424	2.4
69.07055	7.8
71.01596	2.1
71.01943	1.6
71.04992	2.1
71.08635	1.1
73.02901	1.6
79.05498	32.5
81.03410	4.2
81.06587	1.8
81.07053	26.7
83.01324	1.2
83.04988	7.5
83.08631	10.9
89.06019	1.7
91.05492	14.9
93.03416	1.0
93.07047	46.4
94.46365	1.0
95.04982	9.4
95.08607	41.2
97.02880	4.2
97.06549	6.5
97.10207	1.8
99.04454	6.0
103.05439	2.2
105.07037	15.0
107.04971	11.1
107.08598	30.7
109.06529	2.8
109.10126	4.5
111.04443	3.4
111.08028	1.3
115.05418	1.2
117.07023	14.2
119.08591	11.1
121.06516	7.5
121.10143	16.5
123.11772	1.4
125.05990	4.5
125.81201	1.1
129.06981	1.5
130.07797	2.5
131.08540	4.8
133.10121	4.6
135.08051	2.9
135.11700	48.8
139.07506	1.5
143.08562	3.9
145.10123	31.6
149.09630	2.1
153.12790	1.8
155.08551	2.7
157.10110	3.5
163.11185	74.0
167.08578	1.3
169.10141	1.4
171.11647	2.0
173.09589	2.5
181.12254	13.3
183.11705	1.4
185.13312	1.5
191.10646	3.2
199.14790	2.6
209.11687	4.0
209.13387	1.8
227.12793	100.0
255.15877	1.2
255.21062	1.4
265.19498	3.8
283.15314	22.8
283.20236	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01868	3.1
55.05516	11.5
57.03441	11.0
57.07088	1.9
60.87440	0.8
65.03928	1.4
67.05186	1.3
67.05512	19.7
67.33503	1.0
68.48988	0.9
69.03419	1.8
69.07078	8.4
69.21118	2.6
69.21521	5.9
71.04990	2.8
73.02895	1.4
78.16644	0.8
79.05498	29.1
81.03409	3.0
81.07063	23.3
83.04991	5.0
83.08627	8.6
85.06586	1.0
89.06048	1.9
91.05492	12.7
93.07049	42.8
93.07643	2.2
95.04986	8.4
95.08614	41.6
97.02901	4.7
97.06535	5.1
97.10184	0.9
99.04453	5.1
105.07038	10.4
107.04958	11.4
107.08604	32.5
109.06528	2.8
109.10153	4.5
111.04448	1.8
111.08076	1.0
113.06044	1.0
115.05471	1.3
117.07018	9.4
119.08576	15.1
121.06546	6.2
121.10146	14.8
123.11801	0.9
125.06002	2.4
127.04285	0.8
129.07004	2.0
130.07777	2.4
131.08585	4.4
133.10144	3.2
135.08076	2.6
135.11702	49.7
139.07538	2.0
143.08578	3.4
145.10127	31.0
147.11722	1.2
153.12726	2.4
155.08580	1.3
157.10126	2.9
159.11688	1.6
163.11191	76.6
169.10127	1.5
171.11725	1.4
173.09636	2.5
173.13264	3.6
181.12236	16.4
183.11707	1.7
185.13261	1.0
191.10881	1.6
199.14774	4.9
209.11769	2.7
209.13480	1.2
227.12788	100.0
228.13197	1.5
241.16125	1.2
255.21129	3.7
265.19547	1.6
283.15393	22.3
283.20462	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52401	1.4
53.03950	2.5
55.01866	4.8
55.05515	14.1
57.03443	10.5
57.80285	1.3
66.60761	1.4
67.05186	1.8
67.05511	25.5
69.03415	2.9
69.07068	7.3
70.95600	2.6
71.04993	3.5
77.03941	1.9
79.05499	34.5
81.03408	3.4
81.07059	25.1
83.04979	7.1
83.08611	8.1
91.05490	14.2
93.07045	47.9
95.04987	9.9
95.08611	42.4
97.02893	3.6
97.06512	4.1
99.04449	4.6
105.04528	1.6
105.07037	11.9
107.04956	12.5
107.08606	32.2
107.99424	1.4
109.06497	2.6
109.10160	3.4
111.04431	2.1
117.07048	13.5
119.08596	13.4
121.06516	4.0
121.10157	17.1
125.05965	2.2
130.07780	2.2
131.04929	1.6
131.08548	4.2
133.10127	6.9
135.08035	5.2
135.11707	55.8
139.07486	1.9
143.08553	2.5
145.10118	34.1
148.56914	1.4
155.08528	2.7
163.11185	80.4
173.09630	3.8
181.12234	15.9
191.10602	2.7
209.11755	4.0
225.37323	1.8
227.12787	100.0
273.60025	1.6
283.15344	27.1
283.20578	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
53.72171	1.0
55.01871	4.9
55.05275	1.0
55.05516	12.4
57.03441	12.3
67.05505	18.1
69.03422	1.4
69.07077	6.4
70.68298	2.2
70.68626	0.9
71.04985	3.7
73.02905	1.1
77.03906	1.1
79.05492	30.8
81.03420	3.2
81.07055	21.6
83.04996	5.4
83.08624	7.9
85.06535	1.2
91.05476	12.3
93.07049	39.3
95.04967	7.3
95.08608	39.1
97.02897	4.2
97.06562	4.6
98.53937	0.9
99.04483	5.2
103.05364	1.1
105.07031	9.2
107.04964	9.5
107.08592	30.3
107.09313	1.9
109.06508	2.7
109.10146	2.8
111.04456	2.0
111.08074	2.3
117.07014	10.0
119.08575	11.2
121.06536	6.4
121.10139	14.6
125.05984	4.0
127.07585	1.1
129.06940	1.2
130.07828	2.2
131.08531	2.0
133.10135	3.1
135.08104	2.1
135.11691	52.2
139.07538	2.0
143.08574	1.9
145.10126	29.3
150.41130	1.0
163.11182	65.6
164.11629	1.2
173.09618	2.9
181.12227	15.2
191.10712	1.0
209.11708	2.7
227.12787	100.0
228.13136	1.3
283.15335	22.3
283.20633	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01863	5.2
55.05519	15.8
57.03442	15.2
57.07066	2.5
60.54097	1.2
65.03898	1.1
67.05509	34.0
67.95951	1.1
69.03420	2.4
69.07075	10.9
70.03719	5.8
70.16665	1.2
71.04978	4.6
73.02911	1.7
79.05499	35.7
81.03402	5.4
81.07066	27.7
83.01284	1.4
83.05003	6.2
83.08635	8.9
85.06516	1.6
89.06023	1.7
91.05486	17.5
93.07055	48.6
94.17681	1.1
95.04976	8.7
95.08617	44.8
97.02895	3.3
97.06514	4.8
98.20802	1.3
99.04456	4.2
103.05457	1.4
104.28201	1.1
105.07043	15.3
105.77938	1.1
107.04974	10.7
107.08609	34.3
109.06492	2.8
109.10124	3.4
111.04438	3.5
111.08088	2.5
117.07027	14.9
119.08598	14.0
121.06498	7.3
121.10154	22.7
123.11665	3.5
125.05949	3.2
129.06958	2.4
130.07744	3.6
131.08574	10.6
133.10152	12.3
135.08032	3.2
135.11710	57.6
138.81711	1.1
139.07504	2.3
140.64299	1.2
143.08510	4.0
145.06470	1.7
145.10133	38.1
147.08005	1.3
149.09642	2.5
151.11166	2.6
153.12672	1.7
155.08549	2.5
159.11618	2.0
163.11197	82.9
171.11678	1.8
173.09619	6.5
173.13145	1.7
175.11053	1.4
177.29538	1.1
181.10155	1.0
181.10677	1.6
181.12224	16.2
183.11690	1.7
187.20372	1.1
191.10728	7.9
199.14835	2.5
209.11714	6.1
227.12804	100.0
241.12250	1.6
243.57712	1.2
249.48218	1.1
255.20670	1.2
265.19440	1.3
283.15353	41.2
283.20056	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76667	1.2
53.03943	4.1
55.01875	8.1
55.05514	17.9
57.03441	14.7
57.07050	1.8
65.03925	2.4
67.05185	1.9
67.05512	28.4
69.03422	2.2
69.07068	8.7
71.04980	3.1
71.31335	2.3
73.02902	1.3
79.05497	38.8
81.03426	3.9
81.07063	40.0
82.77313	1.3
83.04976	7.5
83.08617	8.9
84.98210	1.1
85.06537	1.4
85.74448	1.2
91.05483	19.6
93.07048	64.4
94.81429	1.4
95.04957	7.6
95.08611	55.9
97.02895	4.1
97.06538	6.0
99.04465	5.2
99.08109	1.4
105.07040	16.8
107.04968	13.3
107.08601	43.9
109.06532	2.9
109.10193	5.8
111.04435	2.3
111.08086	2.5
113.05960	1.6
115.05476	1.7
117.07028	14.7
119.08579	16.8
119.56232	1.2
120.94777	1.2
121.06510	7.1
121.10145	17.8
125.06010	3.4
129.07022	1.5
130.07782	2.1
131.08575	12.3
133.06491	2.0
133.10136	4.1
135.08080	2.6
135.11700	52.3
143.08568	2.1
145.10127	34.2
147.11717	2.8
153.12714	1.5
154.43538	1.5
155.08508	2.1
156.62520	1.5
157.10147	1.9
159.11749	1.2
163.11189	77.5
163.14877	2.1
173.09529	2.4
173.13254	18.1
181.12244	16.3
183.11732	1.6
189.51736	1.3
191.14325	6.1
209.11757	1.4
227.12793	100.0
283.15338	22.0
283.20496	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	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.01876	5.7
55.05307	1.2
55.05518	12.4
57.03444	11.7
57.07074	2.7
62.23223	1.3
65.03935	1.6
67.05176	2.2
67.05510	25.1
67.06059	1.2
69.03429	2.3
69.07072	11.0
71.04996	3.3
71.50927	1.2
71.51326	1.6
73.02947	1.3
79.05498	36.3
81.03429	3.6
81.07064	27.5
83.04987	6.3
83.08623	9.3
85.06538	2.0
89.06030	1.6
91.05484	18.6
93.07050	50.9
95.04984	10.1
95.08616	41.3
97.02902	4.7
97.06538	3.2
97.10133	1.6
99.04479	5.7
105.04573	1.5
105.07050	14.2
107.04959	14.2
107.08611	32.9
109.06541	4.0
109.10173	5.3
111.04446	3.9
117.07024	14.7
119.08601	13.3
121.06532	7.0
121.10164	17.3
123.08107	1.9
123.11691	1.9
125.05995	2.9
129.06992	2.6
130.07819	3.8
131.07727	1.0
131.08568	7.0
133.08707	1.4
133.09180	1.4
133.10109	9.0
135.08101	4.0
135.11703	49.8
139.07547	2.0
143.08574	4.3
145.10141	37.5
147.08057	1.6
149.09613	2.4
151.11214	2.2
155.08600	1.4
157.10147	2.0
163.11197	68.3
171.11708	2.2
173.09650	3.6
173.13295	1.8
177.80490	1.1
181.12236	19.0
185.13286	1.5
191.10687	4.3
199.14851	2.8
209.11713	3.0
227.12798	100.0
228.13322	1.3
265.19485	1.9
283.15387	30.5
283.20190	10.0
287.81653	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01872	4.7
55.05511	12.7
57.03444	11.1
57.07072	9.7
57.80047	1.3
58.07389	1.4
67.05180	1.8
67.05511	22.9
69.03423	1.7
69.07078	11.0
69.55338	6.3
69.55750	3.8
71.04985	4.2
71.08632	3.1
72.04518	3.4
72.08170	3.7
73.08489	2.2
79.05066	2.8
79.05498	28.7
81.07059	27.3
83.04978	6.8
83.08617	14.8
84.08938	1.8
85.06501	1.9
85.10172	2.7
89.06027	13.0
91.05489	14.2
93.07049	38.3
93.07635	2.3
95.04989	9.6
95.08615	47.7
97.02884	5.4
97.06537	5.5
97.10176	4.8
99.04460	4.2
103.05424	1.9
105.07051	13.3
107.04942	9.9
107.08604	31.0
109.06534	2.9
109.10175	7.4
110.32467	1.6
111.04450	3.4
114.09219	2.7
115.05466	1.5
115.07590	1.5
117.07034	10.6
119.08588	13.2
121.06502	6.6
121.10171	14.3
125.05999	4.5
130.07838	2.8
131.08545	4.2
133.08591	3.9
133.10164	3.3
135.08054	4.4
135.10114	2.2
135.11702	54.0
135.12730	2.9
139.07520	2.9
143.08598	3.7
145.10127	29.9
147.11702	1.8
155.08545	2.2
157.10147	2.0
159.11697	2.4
163.11194	74.4
169.10081	2.9
173.09657	2.3
173.13251	1.7
175.58105	1.6
181.12228	17.3
183.11673	2.7
199.14890	2.8
209.13365	2.6
227.12798	100.0
248.24562	2.3
255.21141	4.3
265.19498	3.2
266.25626	3.5
283.15237	21.3
283.20584	10.5
283.28604	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	283.1538
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
51.39121	1.2
53.03957	3.5
55.01862	4.4
55.05511	14.4
57.03445	11.7
57.07069	2.2
67.05510	24.4
67.40862	1.5
69.03432	2.4
69.07078	10.9
69.65370	9.6
71.04996	3.9
73.02929	2.6
79.05496	32.4
81.03412	2.5
81.07062	28.0
83.04987	4.8
83.08614	9.5
85.06561	2.3
91.05486	15.4
93.07050	40.7
95.04955	8.8
95.08615	41.1
97.02903	4.8
97.06546	6.6
98.21416	2.4
99.04469	6.8
100.37212	1.4
105.07051	12.5
107.04953	10.4
107.08600	33.6
109.06531	3.5
109.10149	3.9
117.07029	11.3
119.08587	14.6
121.06542	5.1
121.10157	16.2
123.00574	1.3
125.06002	1.5
129.07047	2.7
130.07771	2.6
131.08582	4.7
133.10156	3.9
135.08022	3.4
135.11696	52.0
141.07021	2.2
143.08658	1.6
145.06563	1.7
145.10127	30.0
155.08569	3.2
157.10139	1.8
159.07971	1.7
163.11192	70.4
165.06998	1.9
169.10153	1.6
173.09579	1.9
173.13191	1.7
179.08574	2.7
181.10190	2.1
181.10648	2.3
181.12242	17.2
183.11781	2.9
195.08118	1.5
195.11707	1.7
197.09763	1.8
207.93602	1.6
209.11685	3.5
209.13385	2.4
209.99745	1.4
222.06880	1.3
225.09108	3.5
227.12788	100.0
233.11563	2.8
237.12779	6.0
255.13950	2.5
265.12350	6.8
283.09943	4.1
283.15320	71.9
283.20657	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	282.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
56.83956	0.2
56.96567	0.7
57.03436	1.1
59.82607	0.2
68.26109	0.2
69.03426	0.3
69.07074	4.0
70.58798	0.5
70.59126	0.3
71.04998	0.3
79.05486	0.3
84.08144	0.7
85.02891	0.5
94.04064	1.3
95.04951	0.3
97.06525	2.0
98.97596	1.5
109.05130	0.3
110.97583	0.3
115.05450	0.3
116.98629	0.5
119.03539	2.2
120.04476	1.2
120.08121	0.4
121.02853	0.4
121.08425	0.2
128.98610	0.4
129.09132	0.8
134.09662	0.7
134.99649	0.3
136.06192	100.0
137.04596	1.2
137.05617	0.3
137.06628	0.4
140.30614	0.3
143.77562	0.3
146.99620	0.3
150.07756	17.4
158.99652	0.4
172.15689	0.3
177.00735	0.5
186.99242	0.3
206.10378	0.4
250.13014	21.6
267.99911	0.3
280.14270	0.2
282.15616	42.6
282.22113	1.0
284.02808	0.3
300.06265	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23349	1.5
53.03952	3.0
54.16870	1.6
55.01873	3.5
56.05048	2.2
56.96566	14.2
56.96802	2.1
57.03446	9.9
59.04989	1.8
61.02935	12.5
67.05490	4.3
69.03432	22.2
69.73714	9.8
70.06590	4.5
71.05009	2.8
72.08172	10.9
73.02928	8.6
73.08498	3.5
74.06087	2.8
79.05498	2.4
81.03416	6.5
83.04987	3.2
84.04512	3.2
84.08154	6.1
84.96046	2.0
85.02909	73.6
85.06542	14.8
86.03208	1.9
86.09731	1.9
87.04472	2.9
88.49628	2.0
91.03931	4.1
97.02901	16.6
97.06544	1.7
98.06062	6.7
98.21027	5.4
98.21647	1.9
98.97592	43.0
99.04453	7.3
101.95024	2.3
107.96102	2.2
109.02905	5.2
110.97588	8.0
111.04469	1.8
112.07622	13.0
116.98630	16.1
118.06557	1.7
119.01897	4.8
120.08110	16.9
121.08437	4.3
127.03925	20.4
128.98604	11.6
130.08669	1.8
131.01927	4.6
134.09671	4.3
134.99635	4.4
136.06184	24.0
137.06026	7.3
138.53467	1.6
140.05573	3.8
141.05693	4.3
143.00229	3.1
145.04959	28.4
146.99736	5.1
150.07761	100.0
156.03433	2.6
157.03494	2.4
158.06651	20.0
158.99669	8.0
159.06752	26.6
160.06400	1.9
161.02977	2.9
163.02679	1.9
163.06055	5.6
165.00734	2.4
170.99683	5.8
173.02977	3.9
174.04498	7.4
176.07681	12.2
177.00761	11.3
177.07851	17.3
178.00871	4.7
182.03458	3.8
183.05083	5.9
185.03061	2.9
186.04410	6.4
188.07591	9.7
189.00662	8.3
189.07800	3.2
191.03857	3.1
191.54146	4.4
192.05647	3.7
193.03229	22.4
200.04510	3.9
200.54607	2.3
201.00752	2.0
201.04549	1.7
204.05467	3.7
209.04669	2.1
219.01819	5.1
221.05205	2.3
225.11014	2.3
226.11044	17.1
232.92856	2.0
237.02872	5.8
240.12746	3.7
244.12157	9.2
251.12489	3.3
252.12640	58.8
252.15187	3.6
253.12004	3.0
255.03973	3.4
264.07150	2.3
264.12704	28.4
268.00180	2.1
269.13449	2.2
270.13693	39.2
271.13373	3.1
277.00888	2.5
282.01358	4.1
282.04645	2.1
282.08563	4.5
282.13715	69.8
282.22195	4.8
283.13361	3.7
300.02481	6.0
300.06168	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	282.1201
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
51.20828	0.2
51.59611	0.3
53.03941	0.4
55.01870	0.5
56.05023	0.3
56.96569	1.4
57.03430	0.9
59.05000	0.4
61.02906	0.3
67.05501	0.3
69.03429	2.8
69.13683	0.3
70.06602	0.5
70.83829	0.6
71.04987	0.4
71.34267	0.2
73.04701	0.3
75.04487	0.5
78.31395	0.3
79.05500	0.3
83.31516	0.3
84.08120	0.4
85.02916	1.0
87.04478	0.7
91.05470	0.5
94.04047	0.7
97.02894	0.8
98.97597	3.5
101.06029	1.1
109.06558	0.3
110.97572	0.8
116.98610	1.5
119.03556	1.3
120.08126	0.8
121.02860	0.3
123.07924	1.3
124.08310	0.6
127.04008	0.3
128.98619	0.8
134.09631	0.7
136.06198	100.0
137.04611	0.5
137.05885	0.4
145.04927	0.4
146.99634	0.6
149.05997	0.3
150.07756	3.2
158.99684	0.8
165.05444	0.5
170.99649	0.5
177.00754	1.1
189.00800	0.4
219.01686	0.5
237.02795	0.8
255.04092	0.4
282.01385	0.4
282.11920	3.1
282.17047	0.6
282.22244	0.9
284.03076	0.4
300.06296	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01868	1.2
55.05515	25.2
57.03434	1.7
57.07092	4.3
60.63850	0.9
67.05508	19.3
69.03448	4.8
69.07072	100.0
71.05009	2.4
71.08617	3.0
71.11757	1.9
79.05501	10.3
81.07059	22.7
82.07343	1.0
83.04977	4.1
83.08622	13.6
85.02910	30.3
91.05476	10.7
93.07049	16.5
95.04971	2.4
95.08611	19.2
97.02901	11.1
97.05289	0.9
97.06541	5.0
97.10166	9.5
99.08103	3.2
105.07038	20.6
107.04942	3.6
107.08604	16.8
109.06522	6.5
109.09464	1.7
109.10164	18.2
111.04430	4.3
111.08086	2.6
111.11730	30.1
117.07008	2.3
117.17580	0.9
119.08585	16.1
121.06522	8.5
121.10145	17.6
121.11033	1.3
123.04436	1.1
123.08094	6.7
123.11720	9.6
125.06002	3.7
125.09651	2.1
125.13287	1.1
129.07022	1.8
129.09062	1.0
131.08566	5.2
133.06526	2.9
133.10152	7.2
135.04486	1.4
135.08040	4.8
135.11693	8.9
135.44202	1.0
137.05965	3.0
137.09586	2.3
137.13272	3.6
138.06763	1.9
139.03917	15.3
139.07549	2.2
139.11238	1.5
142.07735	1.1
143.08571	3.8
145.10139	10.5
147.08075	4.7
147.11690	10.2
149.06001	4.1
149.09624	40.8
149.13361	2.3
151.07527	6.7
151.11226	1.7
156.09343	1.0
157.10123	1.8
159.11601	2.2
161.09624	3.2
161.13246	7.1
163.11189	16.1
163.14832	2.0
165.09154	3.2
165.12825	5.6
165.89349	0.9
167.07054	7.3
171.06541	9.9
171.11665	6.2
173.09671	1.5
175.14839	2.1
177.09085	2.2
179.14296	10.8
181.08611	2.8
183.11748	1.7
185.13242	3.5
189.12752	7.6
189.16324	1.1
191.10693	19.2
193.08638	1.3
195.10179	1.2
197.13283	1.2
203.14285	4.6
204.43726	1.0
207.13765	9.7
209.11777	1.9
213.12764	1.7
221.13371	1.0
221.15344	19.3
223.13171	1.3
231.13736	4.7
245.22643	4.6
249.14832	7.2
261.81924	0.9
263.23743	3.4
266.99777	1.0
280.08572	0.9
281.12292	0.9
281.17349	16.0
299.06375	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1384
Annotation	Jalaric A acid
Peak:m/z	Relative Intensity
52.30599	3.1
53.03939	6.6
55.01864	7.0
55.05512	15.8
65.03934	8.5
67.05504	30.2
69.03430	28.9
69.07070	31.3
71.05000	23.1
71.51017	3.9
79.05497	44.1
79.55541	3.1
81.03415	18.3
81.07059	51.6
83.04984	18.3
85.02898	5.5
85.06544	8.8
91.05485	66.9
91.06033	6.8
93.03376	3.6
93.07046	63.3
95.04967	45.1
95.08607	22.5
97.02886	10.3
97.06539	24.9
97.10155	7.7
97.61931	3.4
99.04458	52.1
99.08091	6.5
103.05465	12.2
105.03387	3.5
105.07035	68.3
107.04958	26.2
107.08594	42.2
109.02874	3.2
109.06518	25.8
109.10153	6.5
111.04438	5.8
111.08096	4.9
113.02394	4.3
113.09636	3.4
115.05452	11.3
116.06225	3.8
117.07050	25.4
119.04931	18.2
119.08591	35.0
121.06489	25.0
121.10122	23.4
123.04415	4.8
123.08086	29.0
125.06003	3.6
125.09641	6.8
127.07556	13.4
128.06215	14.9
128.62309	3.1
129.06999	42.7
130.07799	4.8
131.04903	5.8
131.08569	47.1
133.06514	25.5
133.10141	17.1
135.04424	7.7
135.08041	13.9
137.05968	12.3
137.09636	4.6
137.13199	3.3
139.03905	3.7
140.52731	3.1
141.06989	20.8
142.07779	17.1
143.08588	35.8
145.06480	11.8
145.10115	24.7
146.07150	3.3
147.04420	6.6
147.08041	17.5
147.11615	5.9
149.05968	10.3
149.09639	47.5
151.07541	6.7
153.05432	5.3
153.06978	5.2
153.09064	7.8
154.07773	5.8
155.05968	4.0
155.08548	29.2
156.09340	18.6
157.06531	13.7
157.10138	31.9
158.07274	7.4
159.08052	31.7
159.11681	5.6
161.06020	8.0
161.09660	6.0
163.07539	7.4
165.05576	5.8
165.07007	9.9
165.09135	3.8
166.07741	15.8
167.10675	15.7
169.06499	6.8
169.10085	15.4
171.07999	11.3
171.11679	43.0
173.09613	15.9
173.13263	3.7
175.07582	14.2
175.11179	10.7
177.05458	4.2
177.09070	7.1
179.07054	12.1
179.08507	3.7
181.10120	33.1
183.11717	7.0
184.08826	7.2
185.05989	3.7
185.09613	12.4
187.07559	21.3
187.11206	8.6
189.09033	7.3
189.12727	22.1
191.10695	7.8
197.09561	5.2
199.11179	68.4
201.09087	11.4
201.12628	3.5
203.10692	17.3
205.12224	5.1
209.09608	11.5
215.10678	16.2
217.12239	54.7
219.10181	6.8
227.10667	56.2
233.11710	8.7
235.13347	4.9
237.11186	5.0
242.45891	3.5
245.11755	58.8
251.12903	4.6
263.10223	6.5
263.12811	100.0
281.13870	57.1
281.18750	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	281.1387
Annotation	Hieracin I
Peak:m/z	Relative Intensity
53.03946	16.1
55.01863	11.4
55.05496	12.6
55.31403	3.2
56.25689	2.8
57.03430	10.9
65.03934	11.7
67.01866	4.5
67.05514	48.6
69.03429	25.1
69.07063	11.2
70.20390	8.3
70.20788	5.4
71.04996	15.1
75.83532	3.2
79.05497	87.7
81.03433	16.1
81.07068	42.1
82.59171	2.9
83.04991	22.7
85.02920	21.5
85.06530	7.1
91.05490	90.9
93.03405	5.4
93.07052	100.0
95.04973	35.0
95.08604	20.8
97.02909	7.6
97.06540	17.0
99.04450	8.8
99.08030	4.8
103.05465	10.9
105.04529	3.5
105.07043	85.3
107.04972	18.1
107.08599	89.2
109.02911	7.1
109.06545	17.1
111.04501	3.6
111.08094	6.5
113.02370	17.4
113.05980	5.4
115.05466	16.5
117.07014	42.7
119.04918	10.2
119.08595	42.1
121.02876	4.7
121.06510	31.6
121.10164	6.4
123.04428	13.4
123.08049	14.2
125.02341	8.3
125.05930	3.6
127.07557	3.6
128.06238	20.1
129.07025	42.8
130.07797	6.8
131.04916	5.7
131.08577	41.7
133.06508	25.3
133.10181	15.5
135.04431	5.7
135.08064	31.4
137.06009	8.7
141.06992	19.5
142.07805	26.9
143.08591	39.5
144.09305	3.9
145.06465	20.6
145.10126	30.1
147.04398	5.9
147.08040	23.2
147.11670	12.8
149.05981	23.8
149.09639	6.9
151.03926	11.8
151.07550	13.4
153.06973	10.5
154.07816	7.2
155.06020	5.9
155.08575	32.4
156.09398	20.2
157.06474	12.5
157.10156	38.0
158.07262	4.6
159.04401	6.8
159.08061	20.9
159.11655	8.6
161.05960	13.1
161.09589	6.5
161.13297	9.0
163.07532	14.0
165.05606	5.8
165.07002	11.0
165.09120	4.4
166.07811	17.6
167.07050	10.2
167.08459	3.8
168.09306	3.6
169.06535	4.2
169.10135	22.3
171.08080	9.8
171.11691	39.2
173.06030	4.2
173.09624	17.0
175.07521	12.2
175.11159	13.8
177.05493	6.0
177.09102	10.0
179.08423	4.3
181.08580	10.5
181.10135	37.0
183.08122	4.2
184.08867	7.7
185.05995	7.2
185.09575	17.3
187.07538	8.7
187.11218	12.7
187.80199	3.6
189.09132	8.7
189.12680	9.2
191.07106	6.9
191.10753	5.7
193.08588	8.0
195.06535	5.6
197.09676	5.4
199.11209	54.7
201.09113	9.8
201.12653	3.4
203.10724	16.1
205.08615	9.8
209.09653	4.8
215.10652	19.9
217.12274	40.2
227.10710	32.2
233.11688	5.6
235.13223	8.9
245.11725	38.7
263.12747	36.4
281.11136	4.4
281.13843	54.1
281.17499	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	281.1385
Annotation	Linderagalactone B
Peak:m/z	Relative Intensity
51.02392	5.5
53.03942	17.4
53.57457	6.3
55.01864	16.5
55.05526	27.9
57.03437	13.8
65.03941	14.9
67.05506	67.7
69.03429	34.7
69.07068	22.7
70.78221	17.7
71.04980	22.9
76.09757	5.5
79.05504	95.1
81.03413	14.4
81.07069	60.4
83.04966	26.8
83.08626	6.4
85.02901	14.2
85.06527	5.6
87.93744	5.9
91.05492	92.9
93.07053	98.8
95.04984	41.3
95.08610	49.7
97.02913	10.3
97.06522	16.4
99.04465	7.7
103.05484	10.9
105.03416	5.7
105.07045	100.0
107.04953	20.8
107.08607	77.5
109.02882	6.1
109.06516	23.8
109.10138	18.8
111.04434	11.5
111.08084	6.8
115.05456	19.9
117.07006	35.5
119.04886	9.4
119.08595	53.4
121.06517	35.5
121.10148	20.9
123.04404	14.4
123.08060	26.2
125.02354	7.6
125.05955	8.1
125.09594	14.3
128.06229	20.6
129.05580	6.4
129.07037	53.7
130.07802	7.1
131.08569	58.5
133.06480	18.0
133.10120	15.8
135.04454	8.9
135.08043	24.1
137.05974	10.7
137.09634	7.9
139.03915	7.8
141.06984	30.8
142.07779	30.7
143.08578	54.0
145.06482	21.2
145.10120	37.6
147.08098	27.9
147.11699	19.4
149.05991	24.7
149.09656	8.4
151.03926	11.8
151.07547	17.7
153.06931	11.2
155.08600	30.2
156.09335	24.3
157.06459	11.9
157.10153	46.6
158.07314	7.0
159.08078	23.0
159.11749	12.1
161.05981	16.4
161.09644	15.6
161.13277	9.7
163.07564	13.4
164.35965	6.1
165.05560	13.8
165.07008	18.2
166.07796	30.0
167.07121	7.5
167.08574	10.2
169.10129	23.5
171.08035	10.9
171.11699	46.5
173.09633	15.7
173.13380	7.7
175.07539	17.8
175.11183	21.2
177.05440	7.5
177.09132	13.9
179.07072	9.6
179.08508	10.8
181.10117	38.5
183.11723	13.0
184.08794	6.5
185.09615	17.9
187.07513	9.3
187.11153	15.2
189.09099	8.9
189.12682	11.1
193.08513	7.8
193.12245	12.0
195.06543	6.5
199.07565	6.0
199.11182	55.5
201.09064	10.9
201.12846	6.4
203.10675	22.4
205.08636	7.3
207.10045	9.1
207.13719	6.9
209.09665	14.6
215.10681	20.4
217.12241	44.9
221.09645	6.1
221.11546	6.8
227.10690	28.0
235.13245	14.7
245.11755	46.8
253.12245	8.3
263.12958	37.4
273.43631	5.6
281.11176	11.9
281.14291	40.6
281.18900	22.1
299.06195	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	280.2273
Annotation	Stemaphylline
Peak:m/z	Relative Intensity
55.01862	0.6
55.05511	3.4
57.07058	0.6
58.99118	0.6
59.07857	0.6
60.04531	11.9
67.05502	3.4
69.07065	3.0
69.54415	4.3
79.05489	1.7
79.24113	0.5
81.07056	8.6
83.08619	1.0
91.05492	4.1
93.07043	6.1
95.04988	0.6
95.08057	1.1
95.08612	12.2
97.10181	0.6
104.02166	0.6
105.07032	25.6
107.08598	7.0
109.10157	13.9
119.08587	32.8
120.55544	0.5
121.09333	0.9
121.10150	11.5
123.07976	0.6
123.11710	8.3
131.08575	1.0
133.10141	11.0
135.11685	1.2
141.06914	0.5
144.08929	1.6
145.10141	2.2
147.11691	72.4
149.13258	2.4
151.11176	0.8
156.08893	0.9
159.11710	0.7
160.12466	1.0
161.13252	7.7
163.14777	0.7
165.12756	3.6
175.14752	1.2
177.16330	1.1
193.93283	0.6
198.09979	1.3
203.17961	64.0
204.18198	0.9
216.11020	1.4
221.19003	9.7
238.21634	1.7
244.10516	0.8
262.11432	0.7
262.21750	1.0
280.22717	100.0
281.22955	1.4
285.33688	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2274
Annotation	Micropine
Peak:m/z	Relative Intensity
51.72783	1.4
55.05503	4.0
57.07076	2.5
58.06594	3.9
60.04533	29.2
67.05521	7.9
67.80032	1.8
69.07075	10.4
70.06599	8.0
70.13142	4.8
71.04997	1.7
72.08142	2.4
74.39448	1.4
79.05480	8.0
81.07060	20.0
83.08619	3.5
91.05468	9.4
93.07062	12.9
95.08617	35.5
97.06561	1.8
97.10215	1.6
105.07040	37.2
107.08616	14.7
109.10175	18.8
112.07606	3.6
117.07063	1.5
119.08588	45.4
121.10155	10.8
123.11695	6.9
127.90805	1.4
133.10141	22.3
135.11682	4.1
136.86754	1.6
137.13309	2.8
138.09166	1.4
145.10104	2.4
147.10529	2.9
147.11697	50.0
149.02394	1.6
149.13222	1.7
150.02705	2.2
161.13309	8.8
163.14835	4.1
165.12711	2.0
175.14819	3.1
203.17973	100.0
205.15991	1.7
220.20630	5.3
221.18982	3.2
262.21698	19.6
280.09610	3.2
280.22742	95.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2321
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.24789	0.7
53.03940	1.2
55.05511	7.1
57.07076	2.8
65.03960	3.1
65.44072	0.6
67.05508	100.0
68.05864	0.8
69.07069	7.9
69.46394	5.0
79.05499	10.7
80.69550	0.6
81.07060	91.2
83.04958	1.1
83.08620	4.7
85.06586	0.7
91.05472	3.2
93.07048	9.1
95.08612	70.2
97.06530	1.0
97.10154	2.0
105.07056	3.2
106.47604	0.7
107.08598	5.0
109.06537	0.7
109.10162	40.1
113.73495	0.7
115.07613	0.6
117.07037	1.0
119.08616	1.2
121.06477	0.8
121.10154	5.5
123.08067	1.4
123.11718	24.8
123.12600	1.5
131.08585	2.3
133.10146	1.7
135.11711	2.4
137.09593	1.1
137.13252	8.5
137.14894	0.7
143.08667	0.7
145.10109	1.8
147.11693	2.6
149.02362	7.8
149.13264	2.1
151.11160	0.7
151.14850	1.9
156.59804	0.8
159.11736	1.5
161.13220	0.8
163.11209	1.0
163.14850	0.9
173.13269	2.0
175.78920	0.6
177.12755	1.2
181.12418	0.9
187.14836	1.5
191.14355	1.2
195.13820	2.2
209.15405	1.7
219.21019	0.7
223.16959	1.8
237.18689	1.1
243.21184	1.2
261.22211	2.5
279.09393	0.9
279.23224	28.6
299.10233	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	9.4
57.07077	5.5
60.04528	5.8
61.00298	0.7
64.86420	0.8
65.45127	0.7
67.05512	4.2
69.07059	4.0
70.39007	2.7
71.05002	0.9
72.08160	100.0
79.05507	2.6
81.07062	8.0
83.08631	1.4
85.06548	4.4
91.05462	4.5
93.07047	8.1
95.08612	12.2
95.09179	1.1
97.10152	0.8
105.07040	21.6
107.08607	11.1
109.10168	7.8
111.08090	1.3
114.09174	54.3
119.08597	17.8
119.09332	0.4
121.10148	8.4
123.08103	1.2
123.11720	2.0
131.08594	0.8
133.10144	8.1
135.11734	2.7
145.10107	1.7
147.11697	36.0
149.13284	4.0
150.02681	1.0
151.11218	0.8
161.13263	9.4
163.14812	4.7
165.12773	7.5
174.13716	0.7
175.14867	1.5
177.16510	0.7
203.17964	49.6
204.18422	1.1
221.19019	27.5
238.21626	1.6
262.21640	2.0
268.62881	0.7
280.16211	1.1
280.22733	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	279.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73916	2.7
53.09687	3.3
55.05516	6.6
56.29839	3.4
57.07064	11.0
67.05508	17.6
68.08115	3.4
69.03413	4.3
69.07073	6.9
69.76640	14.6
79.05495	11.3
81.07053	14.0
83.04997	4.1
85.06586	3.0
91.05479	13.2
93.07052	17.1
95.04969	10.7
95.08597	15.9
97.02818	3.2
103.05456	4.5
105.07043	25.5
107.04924	4.3
107.08600	18.4
109.06524	3.5
109.10146	14.8
117.07023	14.8
119.08593	19.8
121.06516	10.3
121.10140	11.7
123.11703	6.0
125.09605	10.6
128.06235	8.9
129.07010	13.1
130.07805	4.5
131.08594	16.1
133.06549	3.7
133.10168	8.5
135.08064	4.4
135.11699	5.0
141.07024	7.4
142.07758	3.2
143.08577	23.4
145.06487	6.3
145.10132	39.4
147.08095	8.9
147.11719	6.5
149.01169	6.3
149.02353	100.0
154.07733	5.8
155.08574	14.1
157.10147	5.9
159.08040	5.1
159.11725	32.2
161.13297	9.3
165.07149	2.9
169.10144	13.1
171.08141	5.6
171.11717	5.6
173.09592	7.3
173.13278	5.5
177.12758	3.1
187.11217	5.6
189.09277	3.4
191.17886	4.8
197.09619	12.6
201.09085	13.4
201.16406	45.0
213.09076	3.3
213.90585	3.1
215.10690	18.9
219.10123	8.9
219.17403	17.9
225.08961	3.9
229.12309	3.6
233.11728	4.5
237.18385	9.5
243.10164	9.5
249.11273	4.4
261.11319	17.6
261.18399	4.7
279.09592	3.7
279.12399	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	279.2321
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03949	1.3
55.01875	1.2
55.05516	12.1
57.03445	1.7
57.07082	6.7
62.97668	0.5
65.03948	3.0
67.05511	96.5
68.05846	0.7
69.03424	0.9
69.07075	12.6
69.37471	2.1
69.37894	1.9
71.05013	2.7
79.05502	15.7
81.07064	100.0
83.04999	1.7
83.08634	7.5
85.06570	1.8
91.05486	7.6
93.07051	17.8
94.00803	0.5
95.04993	1.7
95.08616	86.3
97.06544	1.8
97.10181	4.7
99.08131	0.7
99.93968	0.6
105.04542	0.6
105.07047	6.6
107.08605	12.4
109.06557	1.4
109.10167	46.9
111.08099	1.0
111.11756	0.7
113.05975	0.9
115.05482	0.6
117.07036	1.9
119.08583	4.6
121.02907	0.9
121.10151	10.7
121.99142	0.5
123.08108	1.9
123.11717	22.3
125.09633	0.7
125.13274	0.5
125.59732	0.6
127.07537	1.1
131.08589	5.4
133.10138	4.3
135.08112	0.8
135.11722	6.2
137.09636	1.4
137.13272	8.4
141.09148	0.8
143.08612	0.7
145.10133	5.2
147.11700	2.9
149.02354	23.7
149.09674	1.8
149.13286	4.2
151.11215	1.9
151.14838	3.3
153.09105	1.2
159.11700	3.9
161.13286	3.0
163.11179	2.0
163.14853	2.3
165.12737	1.5
165.16476	1.0
167.10716	1.3
173.13293	3.5
175.14748	0.9
177.12810	2.2
177.16385	0.9
179.14383	1.1
181.12294	1.3
187.14822	4.3
191.14345	2.0
195.13852	2.5
197.09627	0.6
201.16449	1.5
205.15884	1.5
209.15283	3.2
215.10660	0.9
219.17474	0.6
219.21172	1.3
223.16983	3.6
237.18579	1.3
243.10184	0.7
243.21111	5.0
261.22180	5.5
268.99350	0.5
279.09351	1.6
279.12457	0.6
279.19980	2.2
279.23239	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	279.1229
Annotation	Illudoic acid
Peak:m/z	Relative Intensity
50.01600	3.1
51.02372	4.0
53.03954	15.9
55.01866	14.8
55.05513	15.8
57.03445	5.7
57.07082	4.4
59.04987	3.4
65.03935	10.8
67.05508	37.6
69.03433	13.0
69.07082	10.2
69.17570	23.3
69.17993	13.1
70.92513	2.9
71.05004	20.6
77.03930	4.5
79.05501	47.3
81.03412	12.1
81.07067	37.9
83.04993	21.8
85.02881	7.8
91.05489	85.0
91.11294	3.4
93.07052	32.8
95.01337	4.7
95.04996	29.1
95.08620	12.6
95.09183	3.4
97.02911	9.4
97.06547	27.4
99.04449	27.5
103.05495	18.5
105.07040	100.0
107.04950	27.3
107.08599	14.8
109.02903	4.5
109.06532	18.0
109.10155	19.2
111.04439	9.5
115.05476	22.0
117.03397	14.8
117.07029	49.7
119.04976	17.5
119.08594	34.1
121.06534	21.2
123.04449	14.6
123.08066	17.1
125.05981	8.3
128.06233	49.1
129.07024	66.6
130.07790	12.6
131.04941	13.1
131.08572	40.7
133.06491	24.0
135.04427	31.2
135.08034	6.2
137.05989	12.4
137.09657	19.5
141.07005	48.4
142.07800	22.5
143.08562	52.9
144.05779	5.4
144.09337	7.0
145.06491	40.1
145.10146	41.7
147.04514	9.8
147.08054	26.7
149.02354	42.6
149.05988	16.2
151.07549	10.4
152.06190	5.2
153.06978	31.2
154.07779	59.9
155.08586	47.4
156.09354	11.5
157.06487	21.5
157.10158	32.8
158.07309	11.6
159.04402	9.7
159.08040	25.5
159.11702	19.9
161.05983	10.2
163.03891	12.0
163.07567	6.9
165.05464	8.9
165.07002	15.2
165.09143	13.5
166.07802	10.4
167.07260	4.4
167.08604	15.2
169.06505	9.1
169.10133	97.6
171.08063	45.0
171.11705	14.6
172.08875	9.1
173.06000	16.6
173.09630	58.5
175.07574	13.9
177.05499	7.7
177.09096	5.5
177.33998	3.4
178.07794	6.6
179.08557	24.6
181.06491	7.9
181.10181	9.4
182.07274	22.1
183.08061	13.4
184.08961	5.5
185.05998	11.6
185.09608	25.7
187.07558	9.4
187.11218	47.5
189.09111	10.5
191.10637	4.0
195.08110	8.3
197.09633	85.2
197.11397	6.3
199.07570	17.6
199.11282	7.1
201.09171	39.6
203.06989	11.3
203.10684	7.2
207.08195	4.4
209.09663	10.3
213.09134	15.4
215.10684	96.9
217.08702	8.7
219.10185	48.5
225.09111	33.6
231.10162	45.8
233.11600	22.8
237.09123	8.0
243.10181	67.1
261.11224	42.4
279.12378	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1229
Annotation	Illudoic acid
Peak:m/z	Relative Intensity
53.03937	15.2
53.49602	4.5
55.01867	9.6
55.05503	11.0
57.03430	12.5
57.07069	6.9
65.03932	15.7
67.05512	53.0
69.03429	54.2
69.07064	13.9
70.56577	15.0
71.01344	7.0
71.05013	7.3
73.02917	5.1
79.05499	38.8
81.03398	11.2
81.07043	36.2
83.04988	23.4
85.02887	14.8
85.06537	17.9
86.09666	5.4
91.05487	100.0
93.03402	15.1
93.07059	32.4
95.04972	80.0
95.08590	16.0
97.02895	23.2
97.06516	18.7
99.04376	7.0
103.05467	15.8
105.07034	72.3
107.04963	32.2
107.08607	14.4
109.02898	5.2
109.06507	24.8
109.10152	6.1
111.04457	17.6
115.05459	29.3
117.07022	66.3
119.04951	18.8
119.08599	45.8
121.02912	6.0
121.06512	34.8
121.10192	6.9
123.04385	9.7
123.08092	24.0
125.05989	8.3
128.06256	40.5
129.07019	51.7
130.07785	11.9
131.04935	11.3
131.08583	36.6
133.06474	32.2
133.10133	6.9
135.04420	15.0
135.08044	19.7
137.05957	13.3
137.09549	5.9
139.07571	7.5
141.06989	38.5
142.07765	8.8
143.08566	64.0
145.06497	39.8
145.10126	54.7
147.04440	8.9
147.08070	61.9
147.11688	7.1
149.02341	68.4
149.05980	13.7
149.09624	7.1
151.07544	12.9
153.07010	21.1
154.07747	33.7
155.08562	42.6
156.09383	6.1
157.06491	18.0
157.10123	17.0
158.07294	9.1
159.08032	31.8
159.11691	22.9
161.06010	12.8
161.09621	16.3
163.07533	17.2
165.05518	11.1
165.06938	6.8
167.07111	8.0
167.08516	10.9
169.06433	8.9
169.10112	49.5
171.08054	24.8
171.11703	8.5
173.05972	18.7
173.09621	48.5
174.06747	6.3
175.07538	10.8
175.11194	9.3
177.09192	7.4
179.07050	17.6
179.08562	16.5
181.06447	6.8
182.07295	16.9
183.08084	10.0
185.09613	21.5
187.07518	21.3
187.11174	45.5
189.09131	23.0
191.07092	11.3
191.10666	10.1
197.09593	64.7
199.07524	12.4
199.11150	9.5
201.09151	40.3
203.71255	5.4
205.08647	18.5
213.09181	10.9
215.10710	78.9
217.08575	12.7
219.10216	13.6
225.09109	22.1
231.10143	18.3
233.11720	36.7
243.10236	58.2
249.11223	17.7
261.11230	89.1
268.26398	5.8
279.12296	75.2
279.15503	10.7
279.23547	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	279.1228
Annotation	Illudoic acid
Peak:m/z	Relative Intensity
53.03939	12.9
55.01866	17.1
55.05492	6.5
57.07068	10.4
59.85994	5.1
65.03927	17.6
67.05238	4.6
67.05511	56.6
68.46858	5.1
69.03079	6.9
69.03432	71.5
69.07050	15.7
69.51862	42.5
71.04965	5.9
79.05493	48.1
81.03426	9.7
81.07067	33.3
83.04967	23.6
85.02865	12.7
91.05476	100.0
93.03419	8.3
93.07040	43.9
95.04436	7.8
95.04978	68.7
95.08612	17.6
97.02874	27.1
97.06515	14.9
98.20757	8.9
103.05460	15.8
105.03394	6.9
105.04458	5.9
105.07030	75.9
107.04990	25.4
107.08560	14.9
109.02874	6.3
109.06492	21.3
111.04433	8.4
111.08068	6.0
115.05450	24.5
117.07011	76.9
119.04948	11.5
119.08580	69.8
121.06519	48.4
121.10114	7.6
123.04430	24.2
123.08070	9.7
125.05969	7.7
128.06224	57.3
129.07013	57.2
129.84673	5.5
130.07785	11.4
131.04936	11.5
131.08571	53.0
133.06483	18.2
133.10141	8.7
135.04477	9.0
135.08076	18.3
137.06039	12.0
141.06975	45.5
142.07770	13.9
143.08557	78.9
144.09349	6.8
145.06480	35.8
145.10118	58.6
147.08044	81.9
149.02364	47.4
149.05974	10.5
151.07559	10.5
152.06140	6.5
153.07050	14.9
154.07756	52.7
155.08548	62.5
156.09319	9.8
157.06456	17.0
157.10109	19.1
158.07269	12.2
159.04359	6.6
159.08064	26.7
159.11682	24.0
161.05960	10.0
161.09622	13.5
163.07574	10.3
165.07007	9.5
165.09093	7.0
166.07826	6.8
167.08577	21.4
169.10130	73.9
171.08032	40.2
171.11748	13.1
172.08772	7.3
173.06116	13.1
173.09627	51.2
175.07518	9.8
179.08575	19.9
182.07265	18.1
183.08040	14.4
185.09608	24.1
187.07428	7.4
187.11188	30.3
189.09120	13.9
191.10608	6.3
197.09639	75.3
199.07533	11.5
199.11165	10.4
201.09111	48.7
203.10672	13.6
205.08621	15.2
213.09167	12.9
215.10667	78.4
219.10124	14.7
225.09171	29.4
231.10152	19.9
233.11765	19.6
243.10217	54.3
249.11179	26.1
261.11237	58.3
267.61374	5.1
279.12308	51.2
290.48383	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	279.1227
Annotation	Illudoic acid
Peak:m/z	Relative Intensity
53.03947	6.8
55.01865	16.1
57.03431	5.7
65.03934	14.4
67.05514	58.5
69.03436	51.6
69.07062	8.9
70.29278	14.5
70.29634	10.4
75.37202	5.7
79.05499	54.4
81.03423	9.5
81.07039	21.0
83.04983	19.0
85.02901	11.8
91.05486	80.7
93.03387	8.7
93.07035	30.2
95.04978	57.3
95.08588	18.2
97.02897	29.9
97.06525	12.6
103.05465	16.6
104.68212	5.7
105.07043	63.2
107.04950	26.3
107.08589	6.1
109.06523	19.5
111.04505	8.8
115.05455	33.9
116.06202	5.9
117.07027	69.0
119.04916	10.5
119.08596	57.3
121.06534	44.9
123.04425	13.3
123.08059	16.0
125.05907	8.1
128.06226	55.1
129.07013	85.6
130.07791	19.0
131.04901	10.2
131.08563	42.7
133.06482	23.9
133.10095	12.8
135.04448	8.1
135.08084	11.9
137.06010	10.7
139.07497	8.9
141.06996	48.3
142.07759	21.0
143.08577	97.4
144.09334	7.6
145.06482	49.2
145.10146	68.5
147.04445	9.5
147.08058	73.1
149.02382	19.2
149.06017	10.6
151.07596	8.7
153.06993	35.7
154.07806	57.1
155.06004	9.5
155.08563	72.3
156.09372	10.0
157.06537	14.5
157.10126	21.8
158.07314	12.3
159.08041	25.0
159.11751	15.8
161.09622	18.1
163.07538	12.9
165.07007	11.1
165.09117	9.8
167.08588	15.5
169.06483	10.6
169.10143	100.0
171.08090	47.5
171.11661	18.5
172.08806	11.3
173.06018	16.8
173.09608	54.1
175.07568	8.6
176.66586	5.6
177.50085	6.2
178.07855	6.8
179.08549	24.9
181.06474	9.6
182.07318	19.5
183.08078	13.6
185.09628	18.3
187.07527	11.4
187.11226	37.3
189.09102	17.9
197.09634	97.8
199.07582	7.3
199.11180	13.7
201.09096	39.1
203.10661	12.7
213.09091	9.0
215.10712	84.9
217.08769	10.3
219.10254	9.3
225.09100	44.4
231.10130	12.4
233.11707	18.7
243.10249	55.7
249.11217	21.5
261.11252	56.6
279.12265	52.8
294.16556	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	279.1228
Annotation	Illudoic acid
Peak:m/z	Relative Intensity
52.63386	2.4
53.03947	3.2
60.34725	2.2
67.05477	3.3
69.52477	8.4
69.52911	9.0
78.37241	2.4
83.28805	2.5
91.05500	12.7
93.07045	3.8
95.04949	4.5
99.43125	2.3
105.07030	10.8
115.05448	7.3
117.07004	18.5
118.43385	2.4
119.08582	5.5
119.55733	2.4
121.06453	3.3
128.06229	38.2
129.07004	20.1
130.07748	5.0
131.04955	5.1
131.08589	12.5
137.73602	2.8
141.06978	18.5
142.07782	14.0
143.08565	100.0
145.06494	10.6
145.10124	22.8
147.08043	6.6
153.07071	11.8
154.07793	19.3
155.06155	3.0
155.08574	60.4
156.09349	2.8
157.06519	6.0
157.10295	3.5
158.07312	3.4
159.08136	5.9
159.11653	5.8
161.09631	5.4
169.06534	4.6
169.10147	31.3
171.08073	14.4
171.11681	20.3
173.09634	39.5
179.08612	3.0
182.07285	3.8
183.08041	12.3
185.09492	5.5
187.07584	2.8
187.11168	6.9
189.09128	7.0
197.09647	39.8
199.07541	6.7
201.09102	39.9
203.10678	4.7
215.10690	87.1
219.10188	10.7
225.09155	14.9
231.10175	7.1
233.11705	7.9
243.10167	39.6
249.11171	3.5
261.11234	61.5
279.12277	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	278.9523
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	6.2
69.62907	14.0
98.21494	4.7
98.97578	15.3
101.00882	8.7
110.29065	2.3
119.01917	10.8
124.99142	4.5
131.01825	2.4
136.94026	100.0
140.98541	2.8
143.00183	6.8
143.01912	6.6
145.03467	3.1
158.99686	3.8
161.01218	2.9
161.02977	14.2
177.02452	2.7
189.02454	3.4
219.01749	4.2
237.02795	25.1
255.03888	21.5
261.04645	3.5
263.12488	2.8
278.94870	2.8
279.03937	10.8
297.04904	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	279.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09113	0.7
55.71994	0.6
56.96299	0.9
56.96569	10.0
56.96842	0.8
70.72088	1.8
70.98085	0.9
71.95296	1.0
84.96040	2.0
85.02900	1.6
90.48462	0.6
97.02873	1.1
98.97591	100.0
101.00893	2.0
103.00651	1.1
110.97584	20.4
112.99148	1.4
115.00548	0.8
116.98629	31.2
119.01904	2.6
124.99082	3.8
127.03891	0.8
128.98615	12.0
131.00246	1.0
134.99672	4.9
136.94017	7.2
140.98595	2.4
143.00168	5.9
143.01875	0.8
145.01724	0.8
145.03485	0.9
146.99648	5.8
149.02289	5.1
157.01643	0.7
157.03452	0.7
158.99667	40.3
161.01183	1.2
161.03001	1.2
161.04466	0.7
162.55658	0.6
163.02721	0.9
165.00800	0.9
170.99683	9.0
176.99164	1.6
177.00723	32.6
182.99594	1.0
189.00731	14.4
195.01779	1.7
200.02309	0.8
201.00787	1.0
207.01785	7.5
213.09349	0.7
219.01784	6.2
219.03500	0.8
226.95488	0.7
237.02829	19.9
239.82068	0.7
249.02942	0.8
255.03883	14.3
279.03891	9.4
279.07062	1.2
279.10999	0.8
279.53580	0.7
295.69443	0.8
297.05051	5.1
297.08270	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1228
Annotation	Illudoic acid
Peak:m/z	Relative Intensity
51.36597	3.2
53.03942	8.9
55.01878	15.9
55.05506	8.9
57.03424	12.6
57.07069	10.3
65.03932	10.4
67.05509	48.5
69.03082	5.1
69.03429	65.3
69.03805	2.6
69.07064	15.3
71.01360	3.0
71.04993	9.8
71.40414	5.3
76.60478	3.4
79.05499	37.2
81.03417	9.0
81.07067	29.8
83.04985	18.1
85.02892	9.2
91.05479	100.0
93.03400	9.5
93.07049	36.4
95.04971	72.6
95.08595	21.7
97.02909	27.5
97.06522	17.4
99.04448	5.7
103.05476	11.4
105.03384	3.6
105.07040	65.9
107.04967	25.1
107.08609	12.8
109.02853	4.6
109.06516	20.1
109.10150	5.0
111.04446	24.4
113.06016	3.3
115.03941	3.7
115.05463	30.3
116.06263	3.9
117.07028	67.6
119.04967	15.2
119.08574	42.1
119.83303	3.5
121.02888	8.3
121.06509	51.5
121.10165	7.0
123.04437	16.0
123.08097	20.7
125.05986	8.1
125.09613	5.2
128.06229	42.6
129.06993	46.3
130.07787	9.8
131.04953	10.8
131.08577	42.0
133.06496	22.0
133.10118	12.6
135.04408	13.6
135.08017	18.3
137.05992	15.6
137.09625	7.4
139.03918	7.9
139.07513	6.0
141.06990	38.5
142.07771	14.8
143.08554	46.4
144.05647	6.2
144.09334	6.6
145.06493	37.1
145.10118	44.3
147.08041	54.6
149.02362	49.5
149.05994	14.9
149.09541	6.6
151.07538	13.5
152.06184	7.7
153.07039	17.8
154.07764	44.2
155.06067	3.6
155.08560	46.6
156.09329	8.6
157.06470	16.8
157.10207	15.4
158.07251	12.4
159.08025	34.0
159.11713	24.6
161.06047	15.2
161.09612	18.0
163.03970	5.8
163.07570	11.4
163.11232	3.2
165.05579	7.8
165.06972	9.4
165.09103	14.2
166.07770	5.1
167.07204	3.8
167.08543	7.8
169.10139	65.8
171.08040	30.1
171.11665	8.5
172.08775	6.4
173.05943	19.3
173.09624	48.4
175.07553	9.6
175.11156	6.2
177.09152	5.1
179.07054	7.2
179.08568	12.9
181.06387	4.8
181.10130	6.9
182.07332	15.4
183.08076	10.0
185.05986	4.5
185.09621	17.0
187.07574	18.5
187.11189	39.2
189.09105	21.6
191.06993	8.9
191.08917	3.5
191.10683	13.4
197.09625	66.2
199.07478	9.1
199.11186	9.1
200.08366	5.0
200.25272	3.4
201.09077	33.4
203.07082	3.8
203.10669	12.1
205.08644	12.8
205.12206	6.3
213.09105	13.5
215.10683	87.0
217.08583	11.2
217.12302	3.8
219.10216	13.0
225.09059	18.8
229.12158	10.4
231.10104	12.3
233.11754	27.7
243.10123	52.4
247.13281	14.5
249.11267	18.6
249.83060	4.1
261.11243	88.2
279.12323	75.3
279.23734	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	278.952
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	10.9
56.96564	11.7
57.03434	3.0
57.07084	3.0
60.47733	2.1
61.02930	3.4
69.03426	10.4
69.07080	3.3
70.06590	10.5
70.94626	3.0
70.94962	3.2
70.98123	8.5
73.02941	3.5
81.03442	3.4
84.04494	2.5
84.08138	12.7
85.02923	13.5
86.09707	4.8
88.80670	2.1
88.99170	12.1
94.93039	12.1
97.02866	4.2
97.06527	13.6
98.97584	40.3
101.00875	8.3
102.05551	33.9
103.00648	7.3
103.05891	3.2
110.97600	5.2
114.09170	2.4
115.02428	4.1
116.98642	16.3
117.59010	2.4
118.08656	6.8
119.01920	12.3
121.01654	11.4
126.09169	9.0
127.03922	4.2
128.98582	12.3
129.10268	5.6
131.01920	6.4
133.01624	3.0
133.03473	9.4
134.99669	7.3
135.03200	3.8
136.94038	100.0
143.00111	3.7
143.01935	5.0
145.01666	3.7
145.03433	4.1
146.99672	15.1
147.03197	3.6
147.05026	5.6
149.02351	13.9
157.03477	3.6
158.99661	11.1
159.05080	2.7
161.02995	7.3
161.53156	2.0
163.02655	10.7
165.00754	10.7
170.99559	3.8
172.09637	3.1
173.03003	9.4
173.09988	2.9
175.04655	2.2
177.00739	15.5
185.02911	2.8
188.99225	2.6
189.00706	13.7
189.06073	5.0
191.02325	2.5
191.04073	3.7
203.03957	2.8
207.01846	11.3
219.01711	6.3
219.05190	3.3
221.04933	5.7
237.02751	10.9
245.05124	2.5
255.03911	8.0
259.06854	3.0
261.08093	3.7
278.15942	2.7
278.95386	2.8
279.04364	14.4
279.07108	11.7
279.11148	41.1
279.41464	2.3
297.05283	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
55.01867	3.8
55.05510	27.1
57.07065	8.4
59.04968	2.3
65.03935	3.6
67.05511	29.7
69.03429	11.8
69.07079	24.4
69.59727	7.3
69.60142	4.9
71.04999	11.0
79.05497	30.5
81.03422	5.9
81.07061	50.1
83.04994	13.9
83.08640	11.7
85.06542	15.3
91.05485	23.5
93.06499	2.7
93.07050	50.0
95.04969	7.2
95.08615	34.2
97.06540	15.0
97.07045	2.7
97.10159	4.3
103.05483	2.6
105.07031	38.4
107.04979	7.3
107.08602	41.5
109.06515	19.3
109.10159	41.5
111.04448	3.0
111.08070	8.3
113.09662	14.2
115.05468	3.0
117.06996	11.2
119.08587	29.5
119.78848	2.8
120.03119	2.3
121.02878	4.8
121.06483	6.0
121.10152	51.2
121.11016	2.9
123.08041	7.1
123.11710	20.3
125.09651	7.2
128.06219	5.8
129.07010	10.6
131.08615	14.8
133.06491	4.6
133.10135	32.3
135.08040	9.5
135.11687	35.7
137.06047	2.9
137.09615	17.9
137.13245	2.3
139.11185	8.7
141.06970	3.3
142.07780	10.7
143.08623	10.2
143.09599	2.3
144.09286	2.2
145.06502	6.5
145.10156	16.5
147.08034	7.0
147.11693	15.5
149.02347	100.0
149.09642	11.4
149.13261	17.9
151.11186	43.9
152.06224	3.0
157.06607	3.0
157.10124	12.4
159.08095	6.2
159.11646	12.0
161.05937	8.1
161.09622	8.2
161.13300	11.7
163.03943	5.0
163.11177	7.0
165.12730	6.6
167.07271	2.2
167.08578	7.0
171.08000	6.6
171.11679	8.7
173.02449	3.2
173.09581	3.3
173.13338	4.1
175.07509	2.4
175.11192	8.7
175.14810	23.7
177.09117	2.5
177.12720	2.1
185.09633	8.3
185.13272	8.1
187.07558	3.5
189.09096	4.1
189.12817	3.9
189.16432	3.1
191.07053	3.9
193.15916	6.5
199.07521	4.4
199.14749	3.7
201.16414	11.2
203.10605	3.2
203.14302	9.0
205.08627	5.4
213.09151	13.5
213.28206	2.1
215.06995	4.6
215.10741	2.7
215.17871	2.4
216.33659	2.2
217.08517	3.9
217.12262	2.9
217.15956	4.7
217.19510	3.8
219.17485	5.1
231.10172	6.6
235.16980	2.4
241.08611	9.7
241.19594	10.5
259.09616	10.3
259.20526	17.5
263.05484	6.6
277.07056	3.3
277.10852	8.5
277.14505	5.7
277.18423	4.9
277.21634	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
52.18170	1.0
53.03945	6.9
55.01872	2.7
55.05281	1.5
55.05516	21.2
57.03429	3.2
57.07061	4.4
59.98608	1.0
65.03938	1.8
65.25868	1.2
67.05510	44.3
68.91503	1.0
69.07072	18.6
71.04991	2.6
71.08639	24.6
71.51213	1.9
72.07748	1.1
74.92963	1.1
79.05498	69.8
81.03428	7.5
81.07060	57.8
83.04967	4.6
83.08622	9.6
85.06539	2.9
90.04161	1.2
91.05486	35.2
93.07048	100.0
95.04971	10.7
95.08611	37.9
97.06512	6.0
97.10156	5.2
99.08102	14.2
100.11525	1.2
105.04501	2.8
105.06398	2.0
105.07037	24.9
107.04949	4.5
107.08600	54.2
107.59146	1.4
109.06518	3.4
109.10152	12.0
111.08051	1.5
113.09666	1.1
117.07014	4.8
119.05004	1.5
119.08591	15.1
121.06500	2.9
121.10151	48.3
123.08070	3.1
123.11712	2.6
125.10971	1.2
129.07007	2.4
131.08623	7.0
133.10143	15.0
135.08078	2.0
135.11700	57.6
136.63264	1.2
137.05891	1.2
137.09645	3.5
141.09108	1.3
141.98128	1.3
143.08563	3.4
145.10165	6.2
147.11731	8.1
149.02370	1.3
149.13263	15.8
151.11166	10.5
157.10118	4.0
159.11702	5.3
161.13242	7.8
163.11201	3.6
163.14793	4.4
165.12782	2.1
167.10684	1.7
171.11693	2.6
173.13275	1.9
175.11180	2.3
175.14813	2.8
177.12762	1.8
179.10712	1.9
179.14304	24.6
181.51935	1.3
185.09598	1.6
185.13347	3.6
186.19513	1.1
187.14859	2.9
189.12773	2.7
194.09961	1.1
195.13858	2.7
199.07527	1.3
199.14842	1.8
207.11696	1.5
207.13644	2.0
217.15933	2.0
217.19499	1.2
221.15321	5.8
235.16902	5.7
241.08501	2.5
241.19501	3.9
259.20609	5.8
277.10977	1.7
277.21655	95.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2165
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.02388	1.4
52.86546	1.5
53.03949	7.9
53.40189	1.6
55.01628	1.7
55.01875	19.5
55.05514	28.3
57.03425	2.9
57.07080	9.4
61.63901	1.3
65.03935	2.8
67.05510	52.8
69.03426	2.3
69.07075	20.4
69.53824	1.3
71.04995	5.3
71.08367	1.3
71.08641	15.1
71.51305	2.8
72.23392	1.3
72.71405	1.4
73.72590	1.5
74.25829	1.4
77.03915	1.7
79.05501	57.5
81.03428	7.5
81.06589	3.0
81.07063	58.8
83.04993	8.8
83.08627	16.7
85.02905	1.6
85.06532	4.1
85.10181	2.0
91.05488	42.9
93.07053	78.3
95.04985	17.6
95.08614	35.3
97.06544	14.7
97.10175	4.7
99.08102	14.1
103.05473	2.7
105.04535	2.2
105.07034	35.9
107.04966	7.6
107.08601	44.7
109.06531	9.5
109.10168	15.8
111.04423	2.0
111.08090	14.1
113.09646	2.3
115.05470	3.0
117.07030	10.6
119.08583	20.4
120.16241	1.4
121.06516	6.7
121.10164	24.6
123.08078	6.8
123.11726	6.0
125.09634	3.2
128.06247	5.4
129.07007	6.5
131.08588	11.8
133.06479	2.2
133.10146	21.0
135.04449	1.5
135.08049	5.3
135.11699	27.1
137.09653	3.2
137.13252	2.6
139.11162	2.5
141.07005	4.2
141.12726	5.1
142.07819	6.3
143.08591	8.6
145.06487	4.2
145.10138	12.3
147.08040	4.8
147.11696	16.9
149.02347	11.1
149.09602	3.8
149.13271	16.6
151.11182	12.8
152.06248	2.4
153.06973	1.8
153.12756	2.5
154.07811	1.6
157.06522	1.8
157.10121	9.6
159.08095	4.9
159.11705	5.1
161.05992	4.0
161.09651	6.7
161.13284	12.2
163.03946	4.0
163.11217	12.7
163.14821	5.0
165.12770	7.8
167.08611	4.1
167.10698	1.8
169.10089	2.2
169.12219	2.0
170.07324	1.8
171.08095	5.1
171.11699	5.9
173.13287	2.0
175.07565	2.3
175.11172	3.7
175.14815	4.3
177.12817	2.6
177.16335	2.0
179.14320	6.3
185.09663	6.9
185.13278	5.9
187.07520	2.4
187.11147	1.9
189.09128	2.8
189.12714	2.8
195.08116	2.4
197.09540	1.6
199.14738	3.6
203.07098	2.5
203.14365	2.0
207.13879	3.8
213.09122	11.7
215.07080	1.8
217.08751	3.2
217.19562	3.6
221.15369	4.0
231.10181	4.9
231.17618	2.4
231.21115	3.3
235.16936	3.6
241.08635	6.3
241.19495	7.7
249.22176	2.5
259.09735	4.3
259.20599	15.5
263.05566	2.9
277.10812	6.3
277.21655	100.0
278.21741	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03933	4.3
55.05515	17.0
57.07073	3.0
65.03951	2.4
67.05510	35.1
69.07074	15.9
69.63105	6.6
69.63519	2.6
70.49609	1.1
71.04977	2.0
77.03893	1.9
78.53723	1.0
79.05496	76.3
81.06592	1.8
81.07063	33.9
82.14236	1.2
83.04993	1.4
83.08625	6.3
85.02952	1.2
85.06548	1.5
91.05486	28.0
93.07048	100.0
95.04987	5.6
95.08615	22.0
97.06506	1.9
97.10146	2.1
105.04510	1.5
105.06398	1.6
105.07037	15.5
107.08596	52.0
109.06501	1.5
109.10168	13.5
117.06998	2.8
119.08580	11.1
121.10155	44.1
121.11040	2.2
123.11710	2.5
124.47306	1.2
129.07036	2.2
131.08589	4.1
133.10136	13.1
135.08084	2.4
135.11702	58.1
141.06987	1.2
142.07777	1.8
143.08600	2.5
145.10104	2.7
147.11687	6.7
149.09590	1.6
149.13261	25.4
151.67162	1.1
157.10114	2.3
159.11711	4.1
161.13242	3.0
163.11180	2.0
163.14828	6.2
167.08543	1.7
173.13266	1.7
175.14848	1.9
177.12764	1.3
179.72978	1.3
181.12210	1.5
185.09642	1.8
185.13324	2.3
195.13826	2.5
207.13820	2.8
209.15372	1.5
213.09117	2.3
213.16420	2.6
221.15396	3.2
235.16916	3.4
241.08487	1.8
259.20499	2.0
263.32840	1.2
277.10922	1.6
277.21634	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18017	0.8
51.02362	0.8
51.54557	0.7
53.03949	4.5
55.01860	1.3
55.05513	19.4
57.07061	2.2
58.05722	0.8
60.53407	0.8
65.03926	1.8
67.05508	30.9
69.06727	1.4
69.07071	17.0
69.98148	2.4
69.98547	1.2
71.04987	1.7
77.03927	2.3
78.04726	0.8
79.05498	77.3
81.07060	37.2
83.04972	1.6
83.08627	7.5
85.06536	1.3
91.05488	25.5
93.07047	100.0
94.74117	0.7
95.04971	5.5
95.08614	25.6
97.06527	1.8
97.10177	4.5
98.20852	1.4
99.04465	0.9
105.04540	1.9
105.07033	15.8
107.08601	53.2
109.06509	1.4
109.10162	12.3
117.07004	3.5
119.08585	12.9
121.06495	0.8
121.10149	47.8
123.08118	2.2
123.11704	2.5
125.09666	1.0
129.07010	1.5
131.08577	4.4
133.10130	12.9
135.08028	0.9
135.11693	52.6
143.08557	2.3
145.10135	4.3
147.11679	9.2
149.09698	1.1
149.13266	22.5
157.10127	1.7
159.11684	4.4
161.09608	0.9
161.13242	5.5
163.11069	1.6
163.14857	6.2
171.11678	2.9
173.13237	1.4
175.11150	1.8
175.14853	2.3
177.16435	1.3
181.12251	1.1
185.13177	1.9
193.12234	1.9
195.13927	1.0
199.14856	1.6
203.14272	1.1
207.13806	2.4
209.15289	1.1
213.16425	1.3
221.15356	3.7
231.17300	1.0
235.17017	5.7
237.81926	0.8
241.19569	1.7
259.20605	3.4
277.21637	57.9
278.22150	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2165
Annotation	Stearidonate
Peak:m/z	Relative Intensity
50.27468	0.7
51.02365	0.9
51.38695	0.7
53.03952	4.7
55.01860	0.9
55.05275	1.1
55.05515	16.1
57.07058	2.3
57.64458	0.7
65.03950	1.1
65.86754	0.7
67.05511	33.7
69.03407	1.1
69.06738	1.0
69.07076	16.8
69.98243	3.0
71.04990	1.4
77.03909	2.2
79.05502	74.5
81.07064	36.7
83.04977	1.8
83.08627	6.9
85.06525	1.1
91.05486	26.2
93.07052	100.0
95.04961	4.8
95.08616	23.9
97.06525	2.4
97.10186	4.2
98.21418	1.4
101.45188	0.8
104.47093	0.7
105.04506	1.4
105.07037	15.0
107.08605	46.5
109.06493	1.6
109.10168	8.9
111.08051	1.1
117.07005	3.4
119.08584	9.3
121.10155	44.5
123.08094	1.6
123.11703	3.7
123.52131	0.8
125.01600	0.8
129.06958	0.9
131.08597	3.3
133.10152	10.4
135.08090	1.6
135.11703	44.5
139.11153	0.7
143.08589	1.8
145.10126	3.7
147.11687	6.2
149.09656	1.4
149.13272	18.2
157.10143	1.4
159.11713	4.0
161.09613	0.9
161.13254	3.8
163.11195	1.2
163.14818	4.6
165.09146	0.8
171.11707	1.5
173.13306	1.8
175.11205	1.2
175.14871	1.3
185.13234	2.1
189.12712	1.1
193.12279	1.2
195.13834	1.2
199.14745	1.3
207.13721	1.5
213.16441	1.9
221.15419	3.1
235.16992	3.6
241.19426	1.2
259.20682	4.6
263.23834	0.8
277.21649	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03951	3.6
55.01870	8.1
55.05515	16.7
57.03440	4.9
57.07082	10.8
59.04982	2.8
65.39298	2.0
67.05508	34.6
69.03434	15.3
69.06719	3.3
69.07072	28.9
69.65935	12.9
71.04999	10.5
79.05501	46.2
81.03423	7.5
81.07059	60.1
83.04989	14.7
83.08629	12.4
84.08189	2.2
85.06548	12.1
91.05486	30.8
92.05837	3.3
93.07043	67.4
95.04990	7.3
95.08612	33.7
97.02908	2.1
97.06525	18.4
97.10213	4.4
99.08113	2.4
103.05456	4.0
105.07032	50.6
106.07368	4.6
107.05010	4.7
107.08600	49.2
109.06512	14.2
109.10147	36.7
109.10818	2.4
111.08105	11.6
113.06068	2.4
113.09624	13.2
115.05494	7.0
117.07043	7.0
119.04961	2.7
119.08585	31.7
120.08938	6.9
121.06527	5.9
121.10152	53.5
121.11045	2.8
123.08093	8.2
123.11723	21.5
125.09653	7.2
128.06224	9.4
129.07021	7.7
131.04950	2.6
131.08560	14.5
133.06512	7.2
133.10126	35.1
133.99782	2.1
135.04391	3.5
135.08096	8.5
135.11697	33.0
137.09622	15.2
139.11177	9.3
141.06999	5.2
142.07768	10.7
143.08572	12.6
145.06516	5.6
145.10153	13.0
147.04402	3.6
147.08076	5.9
147.11717	14.7
149.02359	13.4
149.09639	7.3
149.13254	14.4
151.07668	3.1
151.11189	35.6
151.50140	2.1
152.06268	3.5
153.05518	2.9
153.06985	2.0
154.07785	2.5
155.08510	3.2
156.09399	2.4
157.06468	2.9
157.10147	13.7
159.08101	4.1
159.11688	11.9
161.06035	2.7
161.09673	5.1
161.13258	12.1
163.03958	4.6
163.11172	4.7
165.05469	2.3
165.07040	2.3
165.12833	7.4
167.08646	9.0
169.10185	4.0
171.08070	6.2
171.11693	6.5
173.09679	2.5
173.13330	3.7
174.06827	2.7
175.07607	5.0
175.11295	7.4
175.14839	24.6
177.09195	3.1
177.12773	2.2
179.14406	2.7
185.09589	11.8
185.13298	8.1
187.07631	2.5
189.09161	4.3
189.12796	3.0
189.16457	3.0
193.08748	3.5
193.15926	7.0
195.08145	5.2
198.06889	2.8
199.07491	4.1
199.14922	2.7
201.05605	2.4
201.09123	2.1
201.16370	15.1
203.10634	3.2
203.14430	7.6
203.18137	2.6
213.09090	22.0
215.07018	2.9
217.08630	4.8
217.12314	2.6
217.15889	2.0
217.19606	4.3
219.17526	5.0
231.10287	4.0
233.11829	6.8
235.13213	3.3
235.17090	5.8
241.08582	17.9
241.19522	3.8
259.09549	12.3
259.20520	13.1
277.10684	12.5
277.14606	7.3
277.18124	3.6
277.21652	100.0
277.28174	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	277.1071
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
53.03955	7.0
55.01863	10.6
65.03943	5.3
67.01862	9.4
67.05499	6.7
68.99792	4.4
69.03428	5.1
69.07062	28.0
70.71209	7.2
77.03973	2.8
79.05497	27.6
81.07073	13.9
85.02895	7.8
91.05499	29.2
93.07040	9.7
95.04956	11.3
95.08595	3.1
95.90685	2.9
97.06546	17.4
103.05477	12.7
105.07040	83.9
107.04963	19.7
115.05443	16.2
117.07014	21.3
119.04951	8.7
119.08596	17.8
121.06509	4.5
123.04433	5.6
125.05980	5.0
127.03889	6.7
128.06236	26.7
129.07008	28.0
130.07837	3.6
131.04929	6.8
131.08585	18.9
133.06499	23.3
133.10114	4.6
135.04379	6.0
135.08089	3.9
138.28296	2.6
139.03905	6.9
141.05463	4.7
141.07001	17.5
142.07785	31.3
143.08559	20.6
145.06459	20.9
145.10144	8.3
147.08064	16.2
151.07518	10.9
152.06221	20.1
153.06989	9.3
154.07767	18.4
155.06041	5.5
155.08629	6.4
157.06459	7.8
157.10138	28.8
159.04350	3.5
159.08060	17.4
161.06000	4.3
161.09622	5.0
163.03961	4.7
165.07042	10.2
166.07787	4.2
167.07259	5.1
167.08574	44.7
169.06448	6.7
169.10143	10.4
170.07275	8.8
171.08051	23.7
173.05968	9.3
175.07550	7.6
177.06990	3.1
179.08655	3.6
185.09647	62.4
187.07542	16.7
187.11194	3.7
189.09067	10.9
195.08070	29.0
197.09657	6.3
198.06760	7.2
199.07596	20.6
201.05443	11.1
201.09196	4.2
203.10684	8.5
206.92120	2.9
213.09120	100.0
214.36211	3.1
217.04816	3.1
217.08630	12.6
223.07538	5.2
231.10191	20.8
233.08070	4.9
241.08600	78.7
259.09659	39.0
277.10727	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1072
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
52.32248	2.4
53.03951	3.4
55.01622	3.1
55.01861	14.5
55.05511	5.1
60.07485	2.6
65.03922	4.8
66.92391	3.4
67.01862	10.0
67.05492	8.7
68.99782	3.2
69.03423	5.5
69.07072	21.0
70.74768	6.5
70.75122	5.4
76.93703	2.7
79.05489	32.2
81.03424	4.5
81.07046	10.2
85.02902	9.2
89.03893	3.7
91.05492	25.9
93.07065	15.6
95.04959	8.9
95.08595	4.9
97.06536	36.6
103.05469	7.6
105.07040	75.0
107.04944	14.4
107.08584	2.8
109.02854	3.3
109.06567	3.5
110.36977	3.6
111.04475	5.9
115.05470	12.9
117.03398	4.5
117.07023	20.8
119.04951	14.5
119.05714	2.7
119.08606	18.1
121.02866	4.3
121.06519	6.1
123.04417	5.5
123.08074	4.9
125.05991	6.5
127.03909	5.5
128.06218	30.4
129.07057	27.2
131.04916	6.6
131.08582	19.8
131.56413	2.6
133.06517	16.9
133.10139	5.7
135.04391	10.2
135.11745	3.2
137.06073	3.0
139.03893	7.9
141.07034	15.1
142.07793	41.6
143.04912	3.6
143.08571	28.3
145.02907	4.2
145.06528	18.0
145.10159	8.6
147.04379	4.7
147.08080	18.2
149.05899	3.8
151.03786	3.0
151.07536	11.4
152.06236	19.4
153.07016	6.7
154.07753	10.6
155.08580	8.8
157.06473	7.9
157.10115	40.1
159.04419	4.1
159.08072	18.9
159.11606	4.4
161.06100	5.8
161.09598	4.6
163.03905	26.3
165.06999	11.8
166.07841	4.9
167.08583	48.3
169.06488	7.5
169.10143	13.9
170.07280	11.7
171.08032	23.3
173.02357	10.4
173.06012	11.0
173.09659	9.6
175.07590	7.6
175.11264	3.8
179.08644	3.2
184.22136	2.8
185.05998	3.8
185.09637	65.0
187.07452	13.4
189.09123	8.7
191.10632	2.6
195.08119	23.3
197.09610	8.2
198.06717	9.6
199.07549	22.5
201.05476	8.8
201.09045	5.6
203.10698	8.0
213.09108	92.4
215.07022	17.2
215.10619	6.6
217.08669	10.6
223.07521	4.6
231.10139	18.3
233.08115	7.0
241.08603	100.0
245.04410	9.8
259.09720	55.5
277.07974	4.0
277.10776	62.4
277.17868	10.3
277.25491	4.3
284.53513	3.1
290.75272	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	277.1073
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
50.23337	2.8
53.03946	9.8
55.01868	18.7
55.05528	6.4
56.76859	2.6
57.03455	3.7
65.03939	8.1
67.01866	6.5
67.05504	18.4
69.03425	11.1
69.07065	22.7
71.04990	8.6
73.30289	3.4
77.03946	3.1
79.05494	45.9
81.03428	4.8
81.07062	10.2
83.01328	4.9
83.04966	6.8
83.91834	2.7
85.02912	9.7
89.03921	3.2
91.05482	50.6
93.03387	4.5
93.07040	28.0
95.04976	21.0
95.08617	5.2
97.02902	8.4
97.06537	70.0
98.21551	5.7
99.04481	6.4
103.05473	11.0
105.03347	3.1
105.04471	3.8
105.07034	65.8
107.04956	22.0
107.08585	4.1
109.02853	3.4
109.06525	14.3
109.10140	3.4
111.04464	27.9
115.05466	24.2
116.06262	7.5
116.73482	2.8
117.03407	6.3
117.07021	39.4
119.04938	16.3
119.08576	18.6
121.02865	3.3
121.06499	30.6
123.04448	10.5
123.08117	3.3
125.05979	6.2
128.06226	44.7
129.07013	40.5
131.04935	8.7
131.08598	22.3
133.06488	26.0
133.10144	8.2
135.04417	21.0
135.08078	14.5
137.05971	11.5
138.06749	6.9
139.03926	6.6
141.07027	22.2
142.07790	52.2
143.08562	42.9
145.02875	5.8
145.06517	31.9
145.10155	11.0
146.07207	3.4
147.04419	11.8
147.08087	19.8
147.11702	5.4
149.05968	11.7
151.03990	5.1
151.07532	3.7
152.06226	19.2
153.07018	12.2
154.07793	14.8
155.06075	8.2
155.08601	14.4
156.09317	5.4
157.06496	12.2
157.10143	37.9
158.07275	3.9
159.04459	5.2
159.08076	24.3
159.11624	3.0
161.02338	7.5
161.05997	14.0
161.09605	13.5
163.03893	35.4
163.07562	11.4
165.05611	3.4
165.07051	10.8
165.09132	4.2
166.07710	4.7
167.08559	37.4
169.06490	11.3
169.10139	12.8
170.07288	13.0
171.08051	46.7
171.11749	7.7
173.02405	21.5
173.06013	12.0
173.09639	11.7
175.07550	11.1
175.11194	6.1
177.05438	8.7
179.07138	3.9
181.06514	4.7
183.08098	9.4
185.09613	64.2
187.07582	28.2
187.11208	5.0
189.05460	6.3
189.09122	20.9
191.03467	4.3
195.08058	21.9
197.09656	8.2
198.06822	12.5
199.07550	30.1
199.11215	10.3
201.05475	8.4
201.09109	9.3
203.10640	17.8
205.08644	9.8
213.09119	100.0
215.07034	32.1
215.10602	3.8
217.08586	28.8
217.12119	4.7
223.07590	8.1
227.10721	5.7
229.08563	4.3
231.10202	35.9
233.08209	4.0
241.08591	94.5
245.11780	6.8
249.11186	5.3
259.09698	59.7
277.10751	83.4
277.14288	9.1
277.17361	4.4
278.23355	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	277.1072
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
53.03942	4.0
53.46048	2.0
55.01879	9.8
55.05515	3.3
57.03438	4.1
61.92085	1.8
63.25057	2.1
63.38030	1.9
65.03945	3.1
67.01874	7.2
67.05506	11.2
68.99802	2.3
69.03427	5.1
69.07079	12.3
70.02124	10.2
70.02493	3.9
75.96478	1.9
79.05494	29.4
81.03406	2.2
81.07076	12.6
81.69037	2.0
82.31043	2.2
83.01350	2.5
83.04976	3.3
85.02896	8.8
91.05495	32.2
93.03387	3.2
93.06516	2.4
93.07046	15.8
95.04980	15.9
95.08620	3.9
97.06535	16.7
98.21442	2.2
103.05453	9.1
105.03413	3.0
105.07040	69.9
107.04984	14.8
107.08583	8.0
109.02906	3.1
109.06504	4.5
110.92399	2.0
111.04446	4.4
112.03664	1.9
115.05455	16.5
116.06286	3.7
117.03354	2.7
117.07007	21.0
119.04974	10.6
119.08604	18.0
121.02831	2.1
121.06525	11.9
123.04455	7.7
123.08067	4.4
125.06007	7.0
127.03901	4.1
128.06247	26.5
129.07013	33.3
129.46443	2.0
130.07806	3.2
131.04919	6.6
131.08591	17.7
133.06497	21.8
133.10136	5.6
135.04419	10.5
135.08067	7.3
135.11707	2.0
137.06000	2.6
139.03897	7.0
141.06995	17.3
142.07797	37.4
143.08554	30.0
144.05743	4.6
145.06500	23.9
145.10149	6.2
146.07332	2.8
147.04407	3.9
147.08076	14.6
149.05971	4.6
149.33443	2.0
151.03876	3.5
151.07544	8.0
152.06239	15.8
153.07013	9.1
154.07780	10.6
155.04863	2.4
155.06032	2.4
155.08597	4.2
157.06531	6.9
157.10136	30.6
159.08060	20.4
159.11723	2.8
161.06042	6.3
161.09639	8.4
163.03954	6.9
163.07553	6.2
165.05652	4.0
165.07030	9.8
165.09103	3.7
166.07748	2.9
167.08577	44.4
169.06483	5.6
169.10147	12.7
170.07295	9.7
171.08057	28.2
173.06009	9.0
173.09668	5.6
175.07509	8.4
175.11218	3.6
179.03348	2.0
179.08665	2.6
183.08128	2.9
185.06068	3.7
185.09633	61.5
187.07559	15.4
187.11137	3.0
189.05493	3.5
189.09113	9.1
191.07013	3.5
195.08032	23.5
196.08899	2.4
197.06010	3.5
197.09647	6.7
198.06871	6.0
199.07567	20.3
201.05540	9.7
201.09074	3.4
203.10680	6.9
205.08737	3.1
213.09128	100.0
217.04958	4.7
217.08618	14.6
223.07480	3.4
231.10159	30.1
233.08081	4.9
241.08611	76.4
249.40004	2.3
259.09634	38.9
277.10703	65.7
277.21686	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	277.1074
Annotation	Illudalic acid
Peak:m/z	Relative Intensity
53.03948	5.9
55.01867	12.0
55.05513	8.8
57.03429	6.5
57.07099	4.0
57.71713	3.3
65.03941	5.2
67.01861	4.9
67.05517	20.9
69.03429	13.2
69.07070	32.9
69.54949	24.6
71.04986	6.8
79.05151	3.6
79.05507	50.8
81.03400	5.5
81.07062	18.5
83.04995	7.6
85.02900	11.5
89.03927	9.3
91.05486	48.1
93.07057	27.2
95.04960	16.0
95.08614	11.4
97.02890	6.7
97.06538	100.0
98.20821	7.4
99.04454	4.5
102.16197	3.6
103.05482	10.2
105.07044	46.2
107.04959	20.3
107.08572	11.9
109.02840	4.8
109.06520	10.7
109.10129	7.4
111.04444	17.8
114.24100	4.0
115.05464	15.9
116.06274	4.3
117.03367	13.7
117.07024	27.1
119.04945	11.8
119.08594	18.7
121.06511	28.0
121.10106	5.6
123.04441	6.5
128.06247	44.3
129.07031	32.8
130.07785	5.6
131.04918	10.0
131.08528	19.5
131.65678	3.5
133.06511	25.5
133.10153	4.9
135.04424	33.8
135.08095	16.0
137.05992	10.9
138.06799	6.2
139.03854	6.2
139.11154	3.8
141.06963	25.4
142.07808	42.2
143.08569	48.4
145.02840	12.3
145.06465	22.8
145.10139	12.2
146.07318	5.5
147.04410	7.4
147.08072	20.2
149.05946	9.5
149.09689	4.9
152.06224	21.7
153.07014	13.4
154.07765	12.6
155.06061	4.1
155.08615	8.7
157.06531	6.8
157.10143	35.0
158.07347	4.0
159.04434	10.8
159.08058	26.4
159.11642	4.7
161.02390	23.3
161.05963	14.4
161.09642	12.0
163.03905	59.8
163.07547	13.3
165.05519	4.0
165.06972	5.2
165.09033	5.4
167.08553	34.1
169.06436	9.3
169.10149	11.3
170.07301	10.4
171.08075	49.0
171.11642	4.3
173.02383	50.4
173.05998	8.5
173.09622	8.4
173.29044	3.7
175.03979	4.1
175.07570	7.4
175.11166	5.3
177.05534	6.8
183.08087	4.2
185.05968	5.4
185.09641	63.7
187.07547	16.1
187.11241	5.5
189.05484	7.1
189.09131	15.4
191.03386	10.9
195.08066	16.9
197.09605	8.4
198.06779	5.1
199.07500	19.0
201.05363	5.2
203.06955	6.9
203.10718	15.6
205.08643	7.1
213.09113	87.9
215.07040	82.7
215.10405	5.2
217.08583	23.6
231.10179	36.3
233.08109	10.6
241.08597	42.4
247.09668	6.3
249.11220	3.7
259.09689	89.8
277.10834	68.1
277.13919	6.2
277.21606	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85815	26.0
66.49242	25.7
70.68536	89.1
75.68491	33.3
80.61787	25.4
89.41386	27.7
92.57887	27.8
97.67326	28.1
98.97549	56.7
101.00887	70.0
143.01907	32.6
145.03409	28.9
158.37463	28.7
158.38770	28.4
161.03000	54.6
277.03564	82.1
277.06915	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44254	19.9
62.38319	17.2
70.02767	100.0
94.93006	89.0
118.66032	21.1
160.04604	25.0
160.13287	29.7
164.49852	19.9
208.75285	18.4
216.90616	44.6
220.96051	24.3
223.68622	19.4
258.91769	39.0
276.92691	56.4
277.03244	66.7
277.06888	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80919	15.8
57.90699	16.5
59.96020	13.7
65.76802	16.5
69.94265	67.2
88.99557	14.2
98.97602	19.2
101.00886	24.9
102.31171	14.4
133.03435	17.9
141.04347	13.7
143.01901	23.1
161.02968	17.9
180.02541	15.4
220.52287	14.8
277.03436	45.9
277.06976	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27156	28.4
56.96568	27.2
60.67368	29.2
71.49368	42.7
84.08164	39.2
94.93011	63.7
101.00893	90.4
102.05525	28.9
103.00659	40.7
106.44489	28.3
115.02476	37.1
116.04762	32.6
118.08662	45.1
119.01940	93.0
121.01701	72.6
129.02275	31.6
133.03447	66.2
136.65930	31.4
143.01886	35.5
145.03444	39.6
147.03140	40.3
154.61159	27.1
157.03581	46.5
158.03998	41.7
160.04712	39.6
160.13338	32.8
161.02919	59.0
165.56279	30.9
167.85751	26.6
173.02997	42.8
187.04518	35.9
216.90639	64.8
217.01933	33.0
258.70547	28.2
277.03186	100.0
277.07663	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03937	2.4
54.92688	0.5
55.01877	3.5
55.05512	15.1
57.03425	1.7
57.07056	0.9
59.04988	0.5
65.03917	1.5
65.42258	0.5
67.05506	21.5
69.03417	1.7
69.07068	10.7
70.75914	1.1
71.04974	2.1
77.03890	0.7
79.05494	22.1
81.03409	1.0
81.07058	25.3
83.04967	2.0
83.08617	4.9
85.06542	1.1
87.03113	0.5
90.71705	0.4
91.05485	40.6
93.07045	23.9
95.04967	4.3
95.08607	16.4
97.06541	4.8
97.10142	3.0
101.05990	0.6
103.05450	1.9
104.71859	0.5
105.04526	1.1
105.07033	56.5
107.04955	4.3
107.07875	0.9
107.08596	16.6
109.06522	5.3
109.10161	8.4
111.08085	1.4
115.05412	1.4
115.59773	0.5
116.06252	1.0
117.07028	10.0
118.07841	0.7
119.08585	34.6
121.06503	4.1
121.10146	8.6
123.08084	3.2
123.11681	2.0
125.09604	1.2
128.06194	0.8
129.07010	3.7
130.07758	0.9
131.08574	15.3
133.06473	1.6
133.10138	35.5
135.08041	4.2
135.11681	4.7
137.09633	3.3
139.11168	0.9
141.06990	1.6
143.08537	2.7
145.06470	0.9
145.10130	15.1
146.10905	0.9
147.08032	1.5
147.11691	17.9
149.09602	6.8
149.13266	2.9
151.11205	3.1
151.12222	0.5
153.06963	0.8
154.07823	1.0
155.08572	1.8
157.10153	2.8
159.08076	1.2
159.11697	9.0
161.09599	2.1
161.13261	6.6
163.11194	6.6
165.09119	1.0
165.12720	1.2
169.10107	3.6
171.11726	3.8
173.09630	1.2
173.13226	4.9
175.11176	1.7
175.14780	1.1
177.12746	1.8
179.08575	0.5
179.14326	0.7
183.11688	2.6
185.13290	1.7
187.11201	2.4
187.14835	1.2
189.12816	1.1
191.14323	1.2
197.09653	1.1
197.13365	2.5
199.14813	0.9
201.09216	0.6
201.12691	1.9
211.14888	1.1
213.16431	0.7
215.10724	1.4
215.14240	1.0
215.17932	1.2
217.15881	0.8
219.13832	0.6
229.12305	0.8
229.15941	0.5
229.19543	4.1
231.10226	1.5
233.15338	0.9
233.18915	0.6
239.17949	6.5
243.10266	1.3
247.20816	2.6
257.11792	0.9
257.19022	11.5
275.13068	1.8
275.20065	100.0
276.20389	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03948	5.1
55.01883	11.0
55.05513	35.2
57.03439	2.9
57.07092	1.8
65.03940	2.7
67.05508	41.1
69.07082	10.5
70.70467	3.9
71.05003	4.1
79.05500	52.5
80.38964	1.3
81.07063	28.6
83.04970	2.9
83.08618	4.6
91.05489	46.2
91.48462	1.5
93.07048	33.0
95.04952	4.5
95.08618	16.5
97.06541	8.5
97.10170	5.0
103.05471	1.7
105.07037	52.3
107.04302	2.8
107.04966	33.6
107.08603	30.5
109.06526	2.1
109.10165	17.4
111.08108	2.4
117.07032	15.4
119.08592	35.9
121.06516	3.7
121.10168	10.7
123.08047	1.8
123.11700	6.4
125.09641	5.1
129.07028	3.7
131.08566	16.0
133.10149	30.8
135.08049	6.7
135.11693	3.6
145.10133	15.6
147.11691	23.0
149.09631	51.9
155.10699	2.4
157.10091	3.4
159.11696	11.9
161.13260	6.2
163.11157	3.5
169.10110	2.6
169.12271	2.5
171.11670	3.8
173.11847	2.3
173.13295	6.3
183.11673	3.4
187.11226	1.9
187.13321	2.0
187.14847	1.7
197.13297	3.4
215.14429	2.1
215.17857	2.8
229.19453	9.2
239.17990	3.4
247.20677	2.0
257.18954	18.3
275.20084	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01863	1.7
55.04873	0.8
55.05520	4.7
57.07069	1.1
67.05499	3.5
69.03432	0.9
69.07071	14.3
70.26186	2.1
70.26570	2.0
71.04989	3.5
71.72846	0.9
77.07373	0.9
79.05480	4.6
81.07057	6.5
83.08614	2.5
85.06547	3.3
88.07620	1.1
91.05489	5.3
93.07046	9.8
95.04970	3.4
95.08601	7.0
97.06522	1.4
105.07037	10.2
107.08590	8.9
109.06520	1.9
109.10155	7.4
111.08087	18.9
111.11703	1.0
113.09649	4.1
117.07008	2.0
119.08594	9.9
121.06500	2.0
121.10155	8.1
122.07268	4.2
123.08070	12.8
123.11751	2.0
130.07857	1.0
131.08568	13.1
133.10136	6.1
135.08061	23.9
135.11667	3.7
137.09567	2.1
139.11160	3.8
143.08566	2.6
144.09328	1.5
144.21706	1.0
145.10107	6.6
147.11690	9.4
148.08728	0.9
149.09615	3.6
149.13310	1.7
155.08614	0.8
156.09344	3.3
157.10149	3.4
159.11732	8.4
161.09644	3.0
161.13258	1.2
163.11172	3.2
165.12788	2.1
171.11690	15.4
173.13225	6.0
175.14825	2.4
176.11955	6.1
177.12801	1.8
181.12262	15.1
183.11707	1.4
184.12500	1.3
189.12798	3.4
191.14317	100.0
193.56754	0.9
197.13329	1.2
199.14812	8.0
213.16354	1.3
215.18065	4.3
217.15866	6.2
229.19518	2.0
233.18916	1.0
239.17973	2.5
257.19086	8.8
275.20090	38.7
275.22476	1.5
275.27728	8.4
276.20700	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.15483	1.1
53.03942	1.9
55.01881	2.3
55.05519	14.3
57.03430	3.0
61.43541	1.1
67.05183	1.5
67.05514	22.7
68.99924	1.0
69.03436	1.9
69.07076	10.2
70.94931	2.6
71.05005	2.3
75.73081	1.2
79.05502	18.4
81.07061	26.1
83.04964	2.9
83.08611	4.3
83.27717	1.0
85.06533	1.8
88.14032	1.2
91.05490	40.7
93.07054	18.6
95.04970	4.2
95.08617	13.6
97.06546	2.2
97.10184	1.1
105.04562	1.5
105.07036	48.8
107.04942	7.6
107.08604	14.4
109.06532	6.7
109.10173	5.5
111.08063	4.3
115.05490	1.3
117.07030	10.5
119.08595	34.9
121.06489	4.2
121.10136	10.3
123.08084	5.7
123.11728	1.2
129.07010	4.5
130.07784	1.4
131.08585	16.2
133.10149	36.1
135.08075	6.1
135.11696	4.7
137.09616	3.0
139.11156	1.1
143.08582	3.2
144.09435	1.1
145.10130	14.1
147.08090	1.9
147.11703	20.6
149.09627	6.5
151.11217	2.4
155.08594	1.3
157.10156	4.5
158.10913	1.8
159.11690	13.6
161.13268	7.3
163.11179	4.4
169.10173	2.3
171.11766	3.0
173.13228	9.1
175.11192	3.5
175.14825	1.7
177.12730	2.7
183.11708	2.6
185.13208	3.4
187.11121	1.5
187.14891	1.4
191.14241	1.8
197.13290	2.7
199.14891	1.5
201.12756	3.2
203.14352	3.4
215.17938	2.5
219.13933	1.6
219.17343	1.3
229.19641	2.9
234.20766	1.3
239.18028	4.2
247.20589	3.5
257.19055	10.5
275.20084	100.0
275.27734	10.2
276.20477	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.74442	0.7
53.03952	1.8
55.01865	2.5
55.05515	11.2
57.07072	3.1
58.07398	1.0
59.31831	1.0
65.03943	1.8
66.83154	0.9
67.05509	16.8
68.43190	0.9
69.07069	8.9
70.06588	4.1
70.79487	2.3
71.04975	2.5
71.06946	1.6
79.05495	19.2
81.07063	18.2
83.04990	1.9
83.08639	4.8
85.06562	1.6
88.07642	5.5
89.07952	2.0
91.05488	38.9
93.07047	18.3
95.04963	3.5
95.08617	12.5
97.06522	3.7
97.10159	2.8
99.08063	0.9
102.09209	1.1
102.75975	0.9
103.05459	1.4
105.07038	65.3
106.08665	3.8
107.04954	2.8
107.08585	17.3
109.06524	3.1
109.10159	4.4
111.08099	1.5
112.41978	0.8
117.07021	10.1
119.08591	34.2
121.06472	2.0
121.10147	8.4
123.08085	2.2
123.11700	2.6
125.09629	1.8
129.07010	2.9
131.08583	18.9
132.09296	1.1
133.06465	1.0
133.10139	35.6
135.08051	4.1
135.11691	3.6
141.06999	1.3
142.07758	1.1
143.08577	3.9
145.10133	16.9
146.10838	0.9
147.11700	25.7
149.09653	6.6
149.13237	1.9
151.11171	1.4
155.08566	1.2
155.10670	0.9
157.10118	5.7
159.11708	14.1
161.09656	1.4
161.13284	4.6
163.11168	3.2
169.10117	2.1
171.11688	3.7
173.13271	10.8
175.11168	1.5
175.14842	2.2
177.12779	1.8
183.11713	3.0
187.11153	2.1
187.14745	1.2
191.14403	1.0
197.13277	2.9
199.14813	2.0
201.12799	2.1
209.58086	0.9
211.14778	1.2
215.14320	1.0
215.17937	1.3
216.44121	0.9
217.15735	1.7
219.13828	1.1
223.83051	0.8
225.42293	1.0
229.19543	1.4
239.18039	4.3
247.20688	2.3
257.18994	11.5
257.26669	4.1
275.20081	100.0
275.27774	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74442	0.7
53.03952	1.8
55.01865	2.5
55.05515	11.2
57.07072	3.1
58.07398	1.0
59.31831	1.0
65.03943	1.8
66.83154	0.9
67.05509	16.8
68.43190	0.9
69.07069	8.9
70.06588	4.1
70.79487	2.3
71.04975	2.5
71.06946	1.6
79.05495	19.2
81.07063	18.2
83.04990	1.9
83.08639	4.8
85.06562	1.6
88.07642	5.5
89.07952	2.0
91.05488	38.9
93.07047	18.3
95.04963	3.5
95.08617	12.5
97.06522	3.7
97.10159	2.8
99.08063	0.9
102.09209	1.1
102.75975	0.9
103.05459	1.4
105.07038	65.3
106.08665	3.8
107.04954	2.8
107.08585	17.3
109.06524	3.1
109.10159	4.4
111.08099	1.5
112.41978	0.8
117.07021	10.1
119.08591	34.2
121.06472	2.0
121.10147	8.4
123.08085	2.2
123.11700	2.6
125.09629	1.8
129.07010	2.9
131.08583	18.9
132.09296	1.1
133.06465	1.0
133.10139	35.6
135.08051	4.1
135.11691	3.6
141.06999	1.3
142.07758	1.1
143.08577	3.9
145.10133	16.9
146.10838	0.9
147.11700	25.7
149.09653	6.6
149.13237	1.9
151.11171	1.4
155.08566	1.2
155.10670	0.9
157.10118	5.7
159.11708	14.1
161.09656	1.4
161.13284	4.6
163.11168	3.2
169.10117	2.1
171.11688	3.7
173.13271	10.8
175.11168	1.5
175.14842	2.2
177.12779	1.8
183.11713	3.0
187.11153	2.1
187.14745	1.2
191.14403	1.0
197.13277	2.9
199.14813	2.0
201.12799	2.1
209.58086	0.9
211.14778	1.2
215.14320	1.0
215.17937	1.3
216.44121	0.9
217.15735	1.7
219.13828	1.1
223.83051	0.8
225.42293	1.0
229.19543	1.4
239.18039	4.3
247.20688	2.3
257.18994	11.5
257.26669	4.1
275.20081	100.0
275.27774	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03937	2.3
54.76407	1.1
55.01861	1.7
55.05518	14.7
57.03433	2.0
57.07062	2.2
63.12133	1.0
64.89843	1.1
65.03928	1.7
67.05505	17.8
69.03419	1.9
69.07074	9.0
70.91619	2.7
71.04977	4.0
78.42593	1.1
79.05070	1.3
79.05496	15.7
81.03461	1.3
81.07060	21.2
83.04958	3.3
83.08625	5.5
85.02901	3.9
85.06541	2.7
88.07658	1.1
91.05483	43.9
93.07048	18.7
95.04959	3.5
95.08617	15.1
97.06525	3.7
97.10158	2.6
103.05466	1.7
103.36903	1.0
105.07035	66.2
107.04962	7.3
107.08592	12.6
109.06513	3.4
109.10172	5.7
115.05493	1.3
117.07027	11.6
119.08586	38.6
121.02862	5.1
121.06475	3.5
121.10172	6.3
123.08080	1.8
123.11682	2.3
125.09617	1.4
127.11203	3.1
129.07001	4.5
131.08571	17.9
133.06548	1.5
133.09125	2.3
133.10132	42.6
135.08032	3.2
135.11700	3.5
137.09590	1.5
138.75983	1.3
141.07040	1.9
143.08551	5.0
145.06470	1.7
145.10130	17.8
147.08064	2.1
147.11684	25.7
149.09596	3.7
155.08560	1.6
156.09303	1.1
157.10133	5.3
159.11691	9.4
161.09575	2.7
161.13274	5.5
163.11224	2.0
169.10139	4.3
171.11693	4.6
173.09586	2.3
173.13304	6.9
175.11215	3.9
175.14830	1.5
175.82394	1.1
179.03372	1.2
183.11696	3.8
185.13208	2.4
187.11229	1.3
189.12621	1.2
191.14340	1.6
192.04736	2.9
193.05098	2.5
197.09653	2.5
197.13225	3.0
199.07420	1.7
199.14877	3.9
201.12814	2.3
203.23894	1.0
215.10658	2.5
215.14278	1.7
217.15752	2.3
219.13808	1.5
229.19479	2.9
231.10107	3.4
233.15329	2.6
239.18050	5.2
247.05934	1.7
257.18997	12.6
275.12961	5.0
275.20087	100.0
275.27765	5.0
276.20657	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81479	1.5
55.05498	2.0
56.40631	2.1
57.09850	1.3
57.18577	1.5
67.05497	5.6
69.07065	3.8
70.06561	1.8
71.04597	3.0
71.04996	45.1
71.49100	2.8
74.49479	1.5
79.05511	2.2
81.03387	2.4
81.07063	2.7
83.08604	2.1
89.31905	1.7
91.05490	4.8
93.07044	1.6
95.08578	1.7
105.07046	5.0
109.10158	9.5
111.04453	2.0
117.07013	2.3
119.08631	2.7
121.06535	3.4
127.11199	100.0
131.08640	2.0
133.06464	1.7
143.08551	2.4
145.06528	2.0
145.10155	7.4
147.08118	3.4
149.05923	4.5
153.07045	1.9
154.58974	1.6
155.08649	4.3
157.06494	1.7
157.10097	1.8
158.07227	2.4
159.08054	2.6
161.05963	11.6
169.10193	1.7
173.09601	11.8
175.07559	13.2
179.07057	6.1
183.08086	2.7
186.06841	3.3
187.07571	4.1
189.09109	3.0
193.08658	5.1
201.09120	39.5
215.10747	7.5
219.10208	14.3
229.54512	1.7
257.15366	9.1
275.13672	2.2
275.16498	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	275.1643
Annotation	4-Hydroxy-3-polyprenylbenzoate
Peak:m/z	Relative Intensity
55.01848	2.1
55.05506	5.1
57.07064	3.0
67.05504	9.3
69.03413	2.3
69.07066	3.5
69.91242	10.1
71.04996	25.9
71.08620	1.9
79.05473	2.7
81.07045	5.0
83.08623	2.2
91.05479	7.3
93.07047	3.9
95.04977	2.7
95.08593	4.6
96.49480	1.9
97.06533	2.6
98.20736	2.2
103.24589	1.9
105.07051	11.2
107.04971	2.6
109.10162	5.2
113.06024	4.0
115.05472	2.3
117.03381	3.2
117.06979	5.4
119.08596	5.4
121.06512	4.7
121.10161	2.9
127.11210	46.3
128.06247	3.0
129.07014	5.0
130.07744	4.0
131.08540	3.2
131.29137	2.1
133.06447	3.6
133.10158	3.7
135.04465	2.3
135.08023	2.3
135.11711	2.8
137.06033	2.8
141.07010	2.2
143.08517	3.9
144.09364	2.8
145.06503	5.5
145.10126	17.8
147.08060	5.9
147.11716	3.8
149.05963	3.9
149.09561	2.6
153.07025	3.1
155.08578	7.9
157.10085	1.9
158.07301	4.6
159.08076	6.0
159.11708	5.1
161.02315	4.2
161.05965	11.9
163.03836	12.1
163.11293	2.6
169.10150	2.7
171.11806	2.5
173.02370	8.4
173.09642	29.3
175.07582	18.5
176.08415	8.8
179.07051	6.5
182.07254	2.5
183.08046	6.0
186.06801	5.8
187.07552	7.2
187.11140	4.3
189.09103	5.7
190.09964	3.5
193.08582	7.9
197.09624	2.6
199.14786	2.2
200.08415	3.8
201.09116	69.1
203.10713	4.4
203.43727	2.4
205.08609	5.0
215.07059	16.2
215.10654	15.4
219.10179	100.0
220.10411	2.3
222.58087	2.0
229.15929	2.1
231.10284	3.6
231.13771	2.6
233.11870	10.4
253.35693	2.0
257.15363	21.0
268.25287	2.4
275.09213	6.1
275.13409	4.4
275.16446	45.2
275.20074	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1279
Annotation	CHEBI:69078
Peak:m/z	Relative Intensity
53.03938	8.2
55.01873	6.8
55.05513	6.7
55.93518	5.5
56.54897	3.3
60.16796	3.9
65.03935	6.7
67.05500	15.2
67.21122	3.9
69.03447	9.1
69.24900	26.4
69.25314	8.9
71.04984	8.3
71.55407	3.6
77.52654	4.0
79.05502	27.3
81.03419	7.8
81.07069	23.8
83.04997	6.5
91.05486	35.8
93.07032	21.2
95.01339	4.0
95.04976	10.1
95.08625	7.4
97.02843	4.3
97.06554	24.0
98.20760	5.3
99.04459	6.4
103.05436	8.1
105.06529	3.4
105.07056	41.7
107.04902	5.0
107.08587	12.0
109.06523	6.5
109.10173	4.1
115.05467	17.6
116.06251	5.2
117.03394	4.4
117.07016	32.2
119.04938	9.8
119.08584	13.8
121.06505	15.1
121.10121	5.4
123.04426	10.1
123.08044	5.1
128.06230	30.8
129.07010	38.0
131.04887	5.7
131.08569	27.5
133.06462	13.5
133.10089	6.7
135.04424	6.9
135.08076	4.8
135.11699	5.6
137.06020	6.4
141.07014	36.1
142.07741	18.3
143.08580	36.7
144.09366	6.4
145.06499	20.1
145.10104	19.2
147.04367	8.1
147.08063	6.1
147.11719	4.8
149.05981	17.6
152.06180	6.9
153.06981	17.3
154.07788	45.9
155.08592	56.7
156.09351	9.3
157.06491	26.3
157.10147	23.6
158.07288	9.1
159.04440	10.2
159.08032	14.8
159.11714	15.8
161.06088	5.2
161.09671	5.3
163.03998	6.2
165.07025	8.5
167.08569	12.5
169.06471	19.6
169.10156	100.0
170.07347	4.2
170.10674	4.6
171.08101	20.7
171.11659	6.5
172.08852	5.1
173.05983	13.5
173.09604	34.2
175.07559	8.5
179.08548	17.2
182.07275	15.5
183.08102	18.7
185.06046	6.8
185.09613	24.0
187.07594	18.8
187.11246	42.2
195.08170	4.9
197.09636	100.0
197.37267	4.8
199.07518	14.8
199.11299	5.2
201.09071	31.7
203.06963	5.0
205.47009	4.7
213.09055	13.8
215.07140	9.9
215.10690	89.8
216.10930	5.0
217.08572	25.8
219.06500	8.1
219.10098	7.4
225.09109	42.2
229.12228	12.5
233.11766	8.7
243.10226	74.1
245.11763	16.3
247.13318	5.1
257.11749	12.7
261.11319	6.5
275.02545	4.2
275.06726	5.3
275.09323	13.5
275.12775	61.0
275.20102	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	275.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.9
55.05519	1.8
55.93526	2.5
56.02345	1.6
56.05026	2.2
56.96566	26.3
57.03439	8.6
58.99582	6.1
58.99862	2.7
65.03928	2.5
67.05506	3.9
68.05051	2.3
69.03432	4.9
69.07070	6.5
70.06590	4.4
70.98103	2.4
71.04975	2.1
71.49257	2.6
72.08131	2.6
73.02917	3.2
74.00692	2.2
76.02234	24.1
76.04002	2.6
79.05511	9.6
80.05052	1.8
80.36034	1.4
81.03391	2.9
81.07059	3.1
82.06601	1.6
82.99853	3.3
83.04993	2.5
84.04498	4.4
84.08151	19.2
84.90561	1.7
84.96049	3.0
85.02905	7.1
85.06558	3.1
86.09717	2.0
88.99152	2.1
90.54765	1.4
91.05480	2.5
93.07007	3.3
95.04938	3.0
95.06125	2.2
96.08154	3.9
97.02894	5.0
97.06532	90.5
98.97593	17.4
101.00882	45.5
103.02449	5.0
105.07033	2.1
110.97569	10.9
111.05566	5.7
113.00016	2.5
113.00846	3.4
114.05550	2.4
114.09163	2.8
115.02436	3.1
116.01714	10.4
116.05339	2.3
116.07152	1.9
116.98653	8.8
117.03998	6.1
118.96002	1.9
119.01925	100.0
120.02040	2.4
123.05553	4.8
125.07123	4.8
127.02481	8.9
128.05331	2.5
128.98593	8.1
129.03915	2.2
129.10242	5.8
131.01927	10.3
132.95775	2.2
133.03467	7.2
134.99667	3.7
135.05061	3.0
135.81863	1.6
137.01988	2.0
137.02969	24.3
141.06578	7.7
143.00182	1.9
143.01892	9.5
144.01152	4.7
144.99852	2.0
145.03479	42.0
146.99680	5.8
147.01321	2.8
149.06691	2.0
154.06842	6.5
155.01918	5.8
157.03461	5.1
158.03990	2.2
158.99638	2.9
159.05032	35.6
161.01633	1.8
161.02972	15.2
162.02196	16.1
163.02753	2.3
163.04568	9.8
163.05721	1.8
165.00758	3.2
169.03539	8.5
171.01450	3.4
171.05077	3.7
172.07938	3.8
172.94258	4.4
172.97601	6.2
173.02950	10.4
173.06691	2.3
174.99211	3.3
175.04520	5.2
176.03384	2.4
177.00771	2.5
177.02277	3.5
177.06119	10.8
179.04892	12.3
185.01427	2.5
185.02859	10.0
185.06458	2.7
187.04526	24.1
188.97095	3.0
189.02478	15.8
190.98668	14.1
191.02174	2.7
191.07542	2.1
193.00209	2.1
203.03963	15.8
203.07701	3.2
205.05545	4.9
207.03516	5.8
213.02446	8.6
215.04001	4.3
215.07664	2.6
219.01686	2.2
221.05040	9.2
229.05576	3.9
231.03474	11.7
232.99686	7.2
233.01653	2.7
247.06558	3.8
251.00734	11.4
257.09485	15.7
257.14941	8.6
274.97266	4.2
275.02640	7.7
275.06049	7.5
275.10803	14.9
275.15991	3.7
275.20187	3.9
293.03571	3.1
293.06790	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23456	1.4
54.24098	1.5
56.96573	17.0
58.99864	4.4
60.08492	1.5
61.01202	2.1
66.73672	1.8
69.03436	2.6
69.81948	1.4
70.06592	2.7
70.28597	7.1
70.98118	3.4
72.08129	1.7
73.02931	2.1
80.79794	1.7
82.99834	10.8
84.08143	6.2
85.01421	6.7
85.02917	2.8
97.02869	1.9
98.95880	1.6
98.97596	14.7
99.03012	2.2
100.31783	1.6
101.00891	74.5
103.02465	12.4
105.00439	1.9
110.97569	9.7
113.00880	16.0
115.02445	6.2
116.98637	6.6
117.04009	11.3
119.01933	100.0
120.01991	1.9
124.02464	1.9
125.00909	2.0
127.02428	13.5
128.98596	6.2
131.01921	32.6
131.05589	4.2
133.03470	5.9
135.05040	4.2
137.02974	12.2
139.02454	1.6
141.03951	4.5
143.01917	28.6
143.71513	1.7
145.03477	47.2
147.01398	6.1
147.04980	2.2
149.02963	3.7
149.06654	2.0
151.02425	2.3
155.01898	9.8
156.98132	7.2
157.03468	15.9
159.01428	4.7
159.05051	41.3
159.60799	1.6
161.02974	19.0
163.04544	5.4
167.02028	2.7
169.03476	20.8
171.01390	6.8
171.04990	4.6
172.97626	10.1
173.03014	10.7
173.06602	7.0
174.04388	1.9
174.99205	22.6
175.04599	8.0
175.08263	2.1
177.02448	11.8
177.06078	9.8
185.02899	21.7
185.06662	4.2
187.04547	31.3
187.08182	3.3
189.02518	14.1
190.98639	5.9
193.00249	15.3
193.05629	3.5
194.03387	2.0
197.02971	4.6
199.04570	2.0
203.02286	3.5
203.04041	34.9
203.07739	2.4
205.05626	3.2
207.03529	4.6
213.02466	22.7
215.00470	3.5
215.04034	13.3
215.07607	2.8
221.03172	2.4
221.05046	10.7
223.01047	2.1
229.01950	4.9
229.05605	5.6
231.03534	21.8
232.99707	5.9
233.05014	3.4
247.06619	3.9
249.04549	1.7
251.00673	4.6
257.01511	3.7
257.05099	2.1
257.08740	1.9
274.97458	5.8
275.02441	10.5
275.06134	24.9
275.11139	12.0
293.03638	4.0
293.07382	2.4
293.10675	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	273.2578
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05512	11.6
57.07072	3.8
67.05524	10.4
69.06739	2.6
69.07082	40.0
69.17677	23.5
79.05503	8.8
81.07069	34.2
83.08626	10.3
91.05481	7.0
93.07051	22.2
95.08606	31.6
97.10168	2.8
105.07039	6.5
107.08605	40.1
109.10148	24.3
111.11742	4.7
119.08585	13.9
121.10152	28.2
122.42355	2.2
123.11703	9.5
133.10123	11.8
135.11717	15.0
137.13254	4.2
147.11696	7.1
149.13281	45.4
156.04242	4.8
161.13287	9.6
163.14836	100.0
175.14857	8.8
177.16463	12.5
189.16417	6.0
191.17966	13.0
203.17967	11.4
217.19412	10.8
231.21004	2.4
273.22791	3.2
273.25803	50.5
280.41437	2.2
293.34055	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	273.2579
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05319	1.4
55.05517	16.9
57.07061	7.0
57.07307	1.7
65.03951	1.8
67.05188	2.8
67.05511	37.8
69.07072	34.6
69.07421	1.1
71.08612	2.4
71.51593	1.6
72.38426	1.5
79.05504	19.2
81.07063	90.6
83.08631	12.9
91.05490	16.8
93.07053	41.6
95.08617	99.2
97.10180	9.8
105.07047	25.7
107.08603	54.8
109.10168	59.8
109.10789	1.0
109.10932	2.0
111.11711	4.9
119.08598	19.4
121.10157	36.9
121.21693	1.7
123.11716	27.3
131.08588	3.0
133.10150	22.2
135.11710	27.9
137.13322	9.0
145.10117	2.5
147.11693	18.4
149.13278	52.8
151.14851	1.9
156.04242	28.6
159.11719	2.0
161.13261	16.6
163.14838	39.5
165.16336	2.7
171.11703	1.7
175.14848	13.8
177.16418	20.8
189.16368	15.2
191.17981	3.5
203.17982	14.7
215.18010	2.2
217.19530	16.3
255.21091	2.9
273.18539	5.5
273.22833	6.3
273.25790	100.0
274.26004	1.8
289.53345	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	273.2578
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03926	3.1
55.05519	12.5
56.18192	2.6
57.07063	3.9
60.43935	2.3
62.64036	2.1
67.05190	2.7
67.05508	30.0
69.07075	27.9
69.28833	11.4
69.29243	8.4
79.05503	15.7
81.06606	2.5
81.07067	76.8
83.08613	9.8
91.05495	12.2
93.07052	43.0
95.08616	78.0
95.48997	2.4
97.10148	11.0
105.07044	22.4
107.08600	46.0
109.10167	62.6
111.11802	2.5
119.08591	17.7
121.10147	32.9
122.64837	2.3
123.11707	29.4
131.08585	4.8
133.10126	16.5
135.11748	21.2
137.13231	10.9
147.11694	16.5
149.13258	44.6
161.13266	11.3
163.14835	44.4
175.14853	12.1
177.16402	15.9
179.80919	2.6
189.16406	11.0
191.17937	4.8
203.17926	11.0
217.19603	18.3
273.18680	5.2
273.22763	5.3
273.25778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2578
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03929	1.5
53.35785	1.1
54.51850	1.1
55.05514	19.4
57.07080	10.0
65.03941	1.6
67.05508	27.3
67.84272	1.0
69.07074	40.2
69.17581	2.4
69.17984	11.4
71.08640	3.0
79.05131	1.3
79.05499	14.1
81.07063	80.9
83.08630	14.6
85.10147	1.2
91.05482	17.3
93.07050	44.1
95.08613	83.6
97.10185	11.9
105.04562	1.5
105.07037	36.3
107.08601	64.7
109.06500	2.0
109.10165	60.2
110.65498	1.1
111.11696	3.9
117.07009	2.5
119.08590	30.1
121.10152	52.6
123.11720	38.7
125.13284	1.3
129.06995	1.8
131.08565	4.3
133.10139	20.2
135.11699	34.3
135.84113	1.2
137.13269	13.1
143.08487	1.6
145.10124	5.2
147.11700	23.2
149.13274	45.5
151.14822	6.8
152.43948	1.2
156.04256	15.6
159.11702	3.5
161.13263	28.5
163.14844	27.4
165.16377	3.1
173.13263	1.6
175.14842	13.7
177.16422	16.6
189.16394	19.0
191.17989	10.6
193.07571	1.1
199.14923	1.6
203.17998	19.1
217.19518	27.2
230.20407	1.4
231.21086	4.3
255.21103	2.9
273.18546	3.8
273.22806	3.6
273.25781	100.0
274.27322	1.6
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	Trixagoene
Peak:m/z	Relative Intensity
52.34368	2.1
53.03937	2.1
55.05509	13.5
57.07064	6.9
66.10384	1.6
67.05505	35.1
69.06735	2.3
69.07073	35.3
69.36970	2.4
69.37368	13.2
79.05487	14.2
81.07059	76.4
83.08633	15.1
88.17948	2.1
91.05479	10.4
93.07041	46.4
95.08610	98.3
97.10167	9.4
98.21581	3.7
105.07041	23.2
107.08599	52.4
109.10162	55.1
111.11714	7.1
119.08593	15.5
121.10147	35.4
123.11700	25.7
133.10135	14.7
135.02780	1.5
135.11691	24.8
137.13254	12.2
147.11710	15.3
149.13264	53.6
151.14830	2.2
161.13263	14.8
163.14824	46.2
175.14825	9.3
177.16362	19.9
189.16414	15.3
191.17938	4.4
203.17958	14.2
217.19514	15.0
273.25778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.5
53.35785	1.1
54.51850	1.1
55.05514	19.4
57.07080	10.0
65.03941	1.6
67.05508	27.3
67.84272	1.0
69.07074	40.2
69.17581	2.4
69.17984	11.4
71.08640	3.0
79.05131	1.3
79.05499	14.1
81.07063	80.9
83.08630	14.6
85.10147	1.2
91.05482	17.3
93.07050	44.1
95.08613	83.6
97.10185	11.9
105.04562	1.5
105.07037	36.3
107.08601	64.7
109.06500	2.0
109.10165	60.2
110.65498	1.1
111.11696	3.9
117.07009	2.5
119.08590	30.1
121.10152	52.6
123.11720	38.7
125.13284	1.3
129.06995	1.8
131.08565	4.3
133.10139	20.2
135.11699	34.3
135.84113	1.2
137.13269	13.1
143.08487	1.6
145.10124	5.2
147.11700	23.2
149.13274	45.5
151.14822	6.8
152.43948	1.2
156.04256	15.6
159.11702	3.5
161.13263	28.5
163.14844	27.4
165.16377	3.1
173.13263	1.6
175.14842	13.7
177.16422	16.6
189.16394	19.0
191.17989	10.6
193.07571	1.1
199.14923	1.6
203.17998	19.1
217.19518	27.2
230.20407	1.4
231.21086	4.3
255.21103	2.9
273.18546	3.8
273.22806	3.6
273.25781	100.0
274.27322	1.6
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	androstenone
Peak:m/z	Relative Intensity
53.03937	1.6
55.05505	7.5
55.52398	1.5
67.05508	16.0
69.07063	4.9
71.05010	3.2
73.51017	1.4
79.05493	16.5
81.06595	2.2
81.07059	40.9
83.08618	4.5
85.06526	6.4
87.28116	1.5
91.05486	16.2
93.07050	26.7
95.08615	35.8
97.06510	1.7
97.10167	3.3
98.20703	2.2
105.07040	52.6
107.08606	19.7
109.10166	15.4
117.07021	8.0
119.08609	20.6
121.10149	13.5
123.11699	2.3
127.28899	1.3
129.06999	4.8
131.08575	52.1
133.10150	14.7
135.11691	24.0
142.07837	2.3
143.08574	14.1
145.09061	3.1
145.10135	49.3
147.11697	15.6
149.13281	16.8
151.11111	2.0
157.08990	1.6
157.10150	18.4
159.11711	20.7
161.13289	17.7
163.14847	5.8
171.11693	16.6
173.13275	20.0
175.14842	7.4
177.12715	2.0
185.13281	8.8
187.14845	7.1
189.16402	6.0
191.14400	2.4
196.25838	1.7
199.14821	17.6
203.17989	2.3
213.16382	5.3
215.17970	16.6
227.17963	14.0
231.25159	2.4
243.21104	15.8
245.22649	6.5
255.21104	62.6
273.22150	100.0
274.22421	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	273.2213
Annotation	androstenone
Peak:m/z	Relative Intensity
55.05519	12.7
57.07071	7.5
59.93155	1.6
62.06077	2.0
67.05508	17.1
69.07067	10.2
70.06577	1.6
70.92844	4.1
71.04999	9.5
71.08640	2.5
79.05495	20.3
81.06593	3.6
81.07061	50.1
83.08611	7.7
85.06550	19.1
91.04973	2.8
91.05486	24.7
91.49432	1.7
93.07053	38.4
93.80985	1.9
95.08066	3.3
95.08620	45.9
97.10155	5.4
99.08089	3.2
103.05437	2.0
105.07040	100.0
107.08602	29.6
109.06500	2.2
109.10167	20.1
111.08076	2.3
113.09657	18.0
117.07028	18.3
119.08593	43.8
121.10146	18.4
123.11700	3.0
128.06267	3.3
129.07042	11.8
130.07779	2.8
131.07603	3.4
131.08577	48.5
133.10144	33.6
134.04495	1.7
135.11728	10.5
139.30627	1.9
142.07799	8.2
143.07516	2.7
143.08577	38.1
145.10133	52.8
147.08084	2.6
147.11694	29.4
149.13280	3.5
150.54765	1.9
156.09320	2.8
157.10147	45.7
159.11705	37.3
161.13292	24.6
164.99228	2.9
171.11717	33.4
173.13258	32.2
175.14818	11.0
177.12755	4.2
185.13249	16.8
187.14828	9.1
189.12735	1.8
189.16365	2.2
191.14386	2.1
199.14821	37.0
203.14290	2.6
203.18011	4.7
213.16396	15.5
215.17970	66.2
217.15817	2.8
227.17976	20.0
229.19589	5.0
230.24779	21.0
255.21101	83.4
273.11105	2.3
273.18674	8.9
273.22156	67.7
273.25357	8.2
274.27396	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	273.2214
Annotation	5a-Androst-3-en-17-one
Peak:m/z	Relative Intensity
53.03943	2.5
55.01875	2.4
55.05515	12.4
63.19829	1.8
67.05515	28.2
69.07079	8.5
70.37608	5.9
71.04992	2.5
74.28075	1.8
75.44373	1.8
79.05502	44.1
81.07063	58.7
82.93013	1.6
83.04996	1.9
83.08606	3.6
85.06551	2.1
91.05491	25.0
93.07054	46.0
95.04971	3.0
95.08616	63.5
97.06535	3.2
97.10169	4.9
97.59623	1.7
98.21579	1.8
104.31528	1.6
105.07046	43.8
107.08604	100.0
109.06509	4.0
109.10171	16.7
111.08091	5.7
117.07045	11.1
119.08589	32.9
119.38007	1.8
121.10149	46.4
123.08058	5.2
123.11725	23.1
125.09685	2.7
129.07042	8.5
131.08580	20.1
133.10150	24.7
135.08066	3.4
135.11708	22.9
137.09631	4.3
142.07803	5.0
143.08565	12.0
145.10155	26.2
147.08081	3.7
147.11713	25.0
149.09645	4.1
149.13245	12.1
151.11218	4.8
157.10153	14.1
159.11708	21.7
161.13280	17.3
163.11179	4.3
163.14815	7.7
165.12715	2.9
169.10152	2.1
171.11725	10.6
173.13292	14.2
175.14839	7.0
177.12704	3.7
185.13290	14.3
187.14828	7.8
189.09099	3.1
189.16385	3.7
199.14790	13.9
201.12617	2.1
201.16391	3.6
203.10628	2.1
213.16399	12.5
215.14366	2.6
215.17975	14.8
217.15805	2.4
227.17914	6.2
229.12332	2.0
245.19023	2.6
255.17288	2.6
255.18214	3.1
255.21106	56.3
273.11987	1.8
273.15231	3.3
273.18555	20.1
273.22141	84.6
274.27371	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	273.1851
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.05505	5.6
57.03438	1.2
57.07080	2.4
59.04995	1.6
67.05507	8.8
68.72824	0.9
69.03414	1.7
69.07079	5.4
70.20996	4.0
71.05000	4.3
79.05505	8.1
81.07064	9.7
83.04984	3.8
83.08611	2.6
84.62153	1.2
85.06545	3.9
91.05482	12.2
93.07050	12.1
95.04968	23.7
95.08613	9.3
97.06554	2.2
99.08038	1.1
105.06395	2.0
105.07035	23.0
107.04951	1.1
107.08599	14.8
109.06526	22.7
109.10147	8.7
111.08099	3.8
113.05975	1.4
115.05471	2.0
116.06314	1.3
117.07039	8.3
119.08591	29.9
119.93514	0.9
121.06505	3.1
121.10146	7.3
123.08076	19.1
123.11700	2.9
125.09631	1.6
128.06219	3.4
129.07021	6.9
130.07776	3.1
131.08571	21.2
133.06505	1.5
133.10147	12.2
135.08058	8.7
135.11700	3.6
137.09659	8.8
141.07005	2.6
142.07802	7.8
143.08578	15.3
144.09280	2.6
145.10130	48.0
147.08058	6.3
147.11705	15.4
149.09625	3.3
151.07542	4.0
151.11188	3.0
153.07071	1.5
155.08539	4.1
156.04195	1.2
156.09381	9.9
157.10138	28.6
158.10907	6.2
159.08044	5.2
159.11702	16.1
160.08719	1.2
160.55273	1.0
161.09650	7.1
161.13277	4.2
163.11171	2.8
167.08580	3.2
169.10144	7.0
170.10938	3.8
171.08086	1.4
171.11700	23.4
172.08815	1.3
172.12419	2.5
173.09647	10.6
173.13261	27.5
174.10390	3.1
175.11189	13.7
177.12901	1.3
179.10661	1.2
181.10173	2.5
182.10973	5.6
183.11699	4.2
184.08878	1.2
184.12488	1.4
185.09610	3.6
185.13255	12.6
187.11172	16.1
187.14780	7.5
189.09131	2.8
189.12735	20.2
189.16370	2.0
191.14241	1.1
193.10069	1.4
193.12137	1.2
195.11723	4.3
196.12445	2.5
197.13280	15.7
199.11197	11.2
199.14880	1.7
200.11928	2.0
201.12804	3.0
203.10693	3.4
203.14355	5.5
203.18044	1.3
207.11728	1.7
209.13350	1.2
211.14856	4.3
212.15530	3.0
213.12766	5.8
213.16382	15.6
214.13544	1.8
215.14326	36.9
217.12268	9.8
218.93657	1.0
222.14015	1.9
225.12764	3.4
227.14398	1.8
227.17931	3.8
229.12350	2.6
229.15901	3.7
230.16508	1.4
231.17447	16.3
237.16344	3.3
243.13760	2.3
245.19099	1.8
255.17462	26.8
255.20334	1.9
255.21193	1.8
273.18506	100.0
273.21753	3.9
274.18701	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03938	0.5
55.05519	2.2
67.05502	4.7
69.07066	1.7
79.05489	4.9
81.07061	7.2
83.08617	2.0
91.05489	6.4
93.07055	4.6
95.04971	0.6
95.08611	10.2
96.03026	0.4
97.06514	0.6
97.10185	1.1
103.05473	2.1
104.06354	0.5
105.07037	100.0
106.07364	0.5
107.08606	4.0
109.10157	13.7
109.15323	0.4
109.54765	0.4
113.67078	0.5
117.07018	4.2
119.08587	57.0
121.10172	3.7
123.08073	0.8
123.11697	0.5
125.09624	0.5
128.06218	0.4
129.07002	1.6
130.07797	2.8
131.08574	13.8
133.10155	2.4
135.07045	0.4
135.11702	2.1
137.13255	1.1
142.07764	1.7
143.08566	4.7
145.10129	81.4
147.11702	1.7
149.09564	0.5
149.13300	0.9
151.18150	0.5
156.09306	0.7
157.10132	10.1
159.11713	5.6
161.09682	0.5
161.13301	0.5
163.11162	0.7
163.14809	0.6
165.12788	0.4
169.10229	0.7
171.11685	4.1
173.13229	0.9
177.75299	0.5
184.83897	0.4
185.13266	1.4
191.14307	1.0
195.11714	0.8
199.14824	1.4
202.60020	0.4
213.16432	0.6
215.18184	0.6
227.17960	18.0
229.14325	0.5
237.16412	1.1
255.17326	1.1
255.21117	6.3
270.89496	0.5
273.15955	0.5
273.18521	5.4
273.22107	9.7
274.27454	0.7
294.85147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.14608	0.5
53.03950	0.9
55.05511	3.3
65.03951	0.5
67.05508	5.8
69.07068	2.9
71.51971	0.5
76.28230	0.6
79.05508	5.8
81.07064	7.1
83.08617	3.0
91.05489	7.8
93.07044	6.1
95.04980	1.0
95.08611	12.2
97.06503	1.1
97.10166	1.2
103.05468	2.4
103.87806	0.5
105.07037	100.0
106.07417	0.5
107.08600	5.4
107.61621	0.5
109.06539	0.6
109.10168	13.6
115.05410	0.7
117.07024	5.8
119.08588	60.7
121.10167	5.4
123.08060	1.0
123.11737	0.8
128.06281	1.0
129.07024	1.6
130.07800	2.3
131.08583	15.8
133.10117	4.3
135.08086	0.7
135.11734	3.6
137.13248	1.0
142.07774	2.1
143.08594	5.2
144.09337	0.7
145.10130	81.3
146.10466	0.7
147.08058	0.8
147.11694	2.0
149.09566	0.5
149.13254	1.5
155.08525	0.6
156.09274	0.7
156.98471	0.5
157.10133	10.7
159.11707	6.8
159.79533	0.6
161.09575	0.6
161.13268	2.1
163.11121	0.9
163.14743	0.5
168.61742	0.6
169.10126	0.6
171.11687	5.2
173.13283	1.6
175.14825	1.0
177.35385	0.5
185.13261	1.6
187.14784	0.6
191.14342	0.6
197.13214	1.1
199.14865	1.2
203.10648	0.8
213.16371	0.9
214.19731	0.5
215.17880	0.8
227.17964	17.3
228.18211	0.6
237.16399	1.4
245.18941	0.7
255.17450	1.9
255.21111	5.9
273.15936	1.0
273.18481	10.5
273.22125	9.9
273.25317	0.7
274.27301	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37523	0.4
53.39225	0.4
62.51912	0.5
71.48757	0.5
71.76615	0.5
74.09718	3.0
84.75053	0.4
96.96957	0.6
112.05273	3.8
129.06996	0.4
130.06343	2.7
151.40248	0.5
156.04225	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1486
Annotation	2,2-Dimethyl-8-prenylchromene 6-carboxylic acid
Peak:m/z	Relative Intensity
55.05505	2.5
57.03442	1.1
61.17310	0.7
67.05507	1.7
69.03423	1.4
69.07079	2.0
71.49202	1.0
79.05518	1.9
81.07062	2.4
83.04990	1.1
85.02926	1.0
91.05489	2.3
93.07072	2.0
95.05003	1.9
95.08622	2.2
97.65410	0.8
99.04421	0.9
105.07047	3.0
107.08613	1.7
107.21149	0.9
109.06565	0.9
111.04456	1.4
114.09196	1.1
117.07026	1.8
119.04942	1.4
119.08570	2.1
121.06499	1.8
128.06232	1.6
129.06987	1.1
131.04884	0.9
131.08565	1.8
133.06520	1.5
133.10130	1.2
135.08067	1.2
137.06006	1.5
142.07779	3.6
142.12216	0.9
143.08553	1.5
145.06506	2.4
145.10141	1.6
147.08081	1.6
148.61853	0.8
149.05986	1.7
151.07573	2.2
152.06329	1.0
153.06973	2.2
156.04202	1.9
156.09297	1.1
157.06488	1.4
157.10153	5.5
158.07281	1.5
159.08105	2.3
159.11758	1.8
160.08665	1.0
161.05952	4.7
161.09598	2.4
167.08560	1.6
169.10155	1.4
170.07329	1.6
171.08067	2.2
172.09041	1.5
173.09669	2.7
175.07588	5.9
175.11232	1.6
177.09151	1.1
181.06509	2.5
183.08080	1.9
183.11694	1.2
184.08801	1.1
185.05933	1.1
185.09619	11.1
187.07550	6.5
187.11189	4.3
188.08351	2.5
189.09088	5.9
195.08083	1.7
197.09576	3.5
198.06795	2.6
199.07558	4.2
199.11232	2.0
199.14815	1.6
200.08368	2.8
201.09091	7.5
202.09903	1.4
203.07108	2.0
203.10686	3.6
205.08609	1.9
209.06084	1.0
212.11971	0.9
213.09108	10.8
213.12665	1.2
215.10687	27.1
217.08572	5.6
225.09091	1.3
227.10687	1.3
227.14284	4.8
229.12292	3.7
230.13022	5.3
231.10156	4.2
240.11497	1.4
241.08578	1.5
243.10248	1.8
243.13847	1.6
245.15395	1.8
255.13849	6.9
255.17061	2.3
257.11969	1.0
258.12558	2.0
273.14890	100.0
273.18048	6.3
274.15048	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	12.8
55.05507	22.3
57.03426	17.0
60.33975	11.8
67.05512	22.9
69.05789	11.7
69.07103	16.2
71.24029	31.6
79.05496	18.6
81.03421	15.0
81.07051	39.1
83.04976	29.0
84.33476	15.9
91.05476	17.6
93.07039	14.1
95.08601	47.0
105.07040	50.1
107.08613	54.6
109.10120	18.8
111.04450	17.6
111.08046	18.4
112.02232	12.8
119.08591	29.5
125.09626	60.8
131.08586	25.4
145.10170	68.8
159.11720	22.2
161.13269	14.8
162.13701	12.2
166.07359	30.3
166.15012	15.6
201.16347	35.8
212.07898	18.6
219.17352	22.6
272.10153	100.0
272.24564	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	273.1124
Annotation	2,4-Dihydroxy-6-phenethyl-benzoic acid methyl ester
Peak:m/z	Relative Intensity
53.03934	3.1
55.01884	3.8
55.05515	5.9
57.03428	1.5
57.07061	1.1
59.04984	1.2
63.74738	0.7
65.03920	1.3
67.05513	10.3
68.94328	0.7
69.03432	3.8
69.07075	11.8
69.69791	0.7
69.72404	3.6
71.04996	11.8
77.03928	2.3
79.05498	39.9
80.06289	4.1
81.03397	2.0
81.07065	18.8
83.04974	1.8
83.08614	3.0
85.02893	1.1
85.06587	0.9
89.03922	1.7
91.05476	8.0
93.07048	8.0
95.04964	4.5
95.08613	13.5
97.06537	43.6
97.10165	1.5
102.04698	2.0
103.05455	2.2
105.03371	2.8
105.04519	2.8
105.07047	7.8
107.04953	0.9
107.08604	10.5
109.06549	1.5
109.10167	7.4
111.08093	8.4
112.08878	4.3
115.05470	3.7
117.03391	1.1
117.07020	3.4
119.04927	1.6
119.08599	7.3
121.06531	1.9
121.10149	6.5
123.11710	4.7
128.06245	3.1
129.03403	1.2
129.07016	2.7
130.04143	1.6
131.04919	3.4
131.08591	4.9
132.02077	0.9
133.02855	17.7
133.03815	1.2
133.06493	0.8
133.10153	4.9
135.04454	0.9
135.11736	4.6
137.13275	2.0
141.07027	1.9
142.07848	1.7
143.08557	3.3
144.05687	0.7
145.02858	3.0
145.06508	2.1
145.10156	4.2
147.04430	9.3
147.11705	4.8
148.05214	1.0
149.06012	2.1
149.13289	5.1
151.03888	1.0
151.07539	1.5
152.06241	5.9
153.06979	4.6
157.04138	0.9
157.06500	3.9
157.10146	3.7
159.04457	5.5
159.08072	1.9
159.11703	2.3
161.02382	7.1
161.05975	1.8
161.13232	4.3
162.03140	15.4
163.03931	14.6
163.14807	4.8
165.07013	2.5
167.08568	6.6
169.06493	2.7
169.10185	1.0
170.07266	1.3
171.04430	2.5
171.08075	2.1
171.11723	1.8
173.02354	100.0
173.09666	2.4
173.13289	1.6
174.02696	1.2
175.03958	3.3
175.11229	0.9
175.14825	2.4
176.04715	1.9
176.06242	0.8
176.72542	0.7
177.05482	30.9
177.06918	1.5
177.16399	1.9
181.06496	5.6
181.10234	0.9
183.04430	1.6
183.11646	0.9
184.05255	1.0
185.06041	5.7
185.09631	2.1
186.03162	0.9
187.03906	9.3
187.11203	1.1
187.14854	1.4
189.05385	1.5
189.16383	2.4
195.08081	10.3
197.05997	3.1
198.06773	1.8
199.03926	8.4
199.07497	3.4
199.11172	1.0
199.14990	1.1
201.05495	3.4
201.09200	0.8
203.10622	1.0
203.17998	1.8
207.06563	1.6
209.06065	1.3
213.05560	3.9
213.09085	8.6
213.16328	0.9
215.07051	43.9
215.14246	2.0
217.19545	3.5
223.07556	6.0
227.17969	1.8
241.08617	43.2
242.09042	1.2
255.17593	1.1
255.21078	2.1
273.11249	54.2
273.14380	1.8
273.18631	7.2
273.22220	2.9
273.25717	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	272.113
Annotation	N-Acetoxy-MeIQx
Peak:m/z	Relative Intensity
51.55502	0.5
53.03942	2.0
55.01873	1.7
56.57431	0.6
57.03442	5.5
61.02935	4.6
65.03938	0.7
69.03082	1.1
69.03430	11.6
69.84563	2.9
70.06593	1.4
71.01349	0.6
71.04992	3.2
73.02923	8.5
77.03971	0.7
81.03416	7.0
85.02934	3.1
87.04468	1.6
87.68893	0.5
91.05461	0.9
92.04980	1.4
94.06572	2.5
95.04980	0.8
97.02895	2.4
98.21621	0.6
99.03847	0.8
99.04458	11.0
103.04051	0.6
104.04990	2.2
105.03389	2.4
106.06552	1.7
115.03938	1.2
117.05505	7.4
118.06564	8.3
119.03416	0.8
120.04474	23.7
120.08057	0.6
120.58662	0.5
122.06044	9.1
130.06555	4.8
130.46431	0.5
132.04462	100.0
133.04837	1.5
134.06041	9.6
138.05522	6.1
144.08086	2.4
146.06007	10.6
148.04002	1.0
150.05511	31.8
154.06509	2.9
157.07616	1.2
158.06041	2.6
162.05510	1.1
163.14984	0.5
164.07086	0.6
170.06049	1.0
172.06168	1.1
172.07593	15.8
176.07050	1.4
183.05302	0.5
188.07057	0.7
190.08659	2.4
200.07060	8.3
218.08144	32.6
236.09189	8.9
254.10249	14.1
272.11316	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	272.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.1
54.16608	0.9
55.01866	2.1
55.05513	11.0
56.05042	6.5
57.07072	0.8
58.06591	2.8
59.79668	0.9
60.04528	2.3
61.02927	1.4
61.76722	1.0
62.05846	1.1
62.06094	12.8
67.05506	9.3
69.03435	4.8
69.07077	5.4
69.44434	7.7
70.06595	13.7
71.04983	3.3
72.04156	1.4
72.04522	19.4
72.08141	1.4
73.02902	3.9
74.06055	1.7
79.05496	9.9
80.05016	4.7
81.03419	8.4
81.07061	15.9
82.06576	6.2
83.04982	2.7
83.08622	3.4
84.04498	1.2
84.08128	2.4
85.05277	2.2
85.06528	1.1
86.06054	2.7
87.04457	1.3
88.07663	5.8
91.05496	4.9
93.07059	8.8
94.06569	4.1
95.04990	2.5
95.08614	8.9
96.04535	1.2
96.08118	3.8
97.02919	1.3
97.06528	5.0
97.10159	2.8
98.06053	9.2
99.04461	3.4
100.07623	10.2
105.07054	5.5
106.06565	0.9
107.08589	3.8
108.08134	1.4
109.04928	1.0
109.06489	1.5
109.10160	2.4
110.09684	1.1
111.08095	1.8
112.07610	3.1
114.05497	1.6
114.09167	2.4
116.07079	5.9
117.05506	2.3
118.06556	2.9
119.03409	1.1
119.08582	2.5
120.04474	9.5
121.10130	4.4
122.06033	2.9
124.07587	2.3
126.09200	1.1
129.07034	1.2
130.06552	2.3
131.08566	2.9
132.03459	2.1
132.04460	35.6
133.10120	2.8
134.06013	3.1
138.05464	2.3
138.12761	5.1
146.06015	4.7
147.11636	2.6
149.09618	3.4
149.13268	1.3
150.05522	12.0
157.10152	2.3
158.06012	1.8
166.12224	1.1
172.07602	3.9
174.12883	1.1
175.11153	1.9
180.13881	1.5
182.15407	4.1
184.13322	1.6
190.08595	1.1
192.13979	2.0
193.12297	6.9
195.13858	1.5
198.14909	3.0
200.07120	2.7
200.16522	1.1
208.13350	2.1
210.14912	38.7
211.13290	13.6
213.14915	1.1
218.08163	11.1
226.14426	1.7
226.18033	5.3
228.15962	87.2
229.16321	1.8
233.93509	1.1
236.09216	2.5
236.16441	3.4
244.15022	0.9
244.19093	5.8
250.71194	0.9
254.10338	4.2
254.17529	18.8
255.10989	1.0
272.11377	20.7
272.18570	100.0
273.18338	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	271.2422
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.03939	1.7
55.05515	10.1
57.07057	3.2
59.05357	1.0
67.05511	14.4
69.07073	26.2
70.96309	2.5
71.08625	1.6
72.11864	0.9
73.33727	0.9
79.05493	8.9
81.06599	1.9
81.07063	36.9
83.08620	8.0
91.05481	8.3
93.07051	22.1
95.04937	1.2
95.08611	32.7
97.10166	4.2
99.23328	1.1
102.14928	1.0
105.07037	26.4
107.08611	28.5
109.06560	1.2
109.09480	1.7
109.10169	29.1
117.07008	5.1
119.08584	26.4
121.10150	21.8
123.11721	16.8
128.06169	1.1
129.07004	3.0
131.08586	12.3
133.10150	19.9
135.11703	15.1
137.13248	2.4
141.49707	1.0
142.07799	1.3
143.08563	4.3
145.09079	1.3
145.10136	16.8
147.11688	22.4
149.13264	12.6
155.08556	2.2
157.10115	3.9
158.10866	1.8
159.08049	1.7
159.10497	1.4
159.11710	21.8
161.13283	19.4
163.14842	8.5
169.10130	3.4
171.11710	2.5
173.09630	2.5
173.13280	13.9
175.14853	13.5
177.16376	4.0
183.11653	2.1
185.13277	2.2
187.11284	1.5
187.14853	10.3
189.16449	6.9
197.13257	1.9
199.14864	2.1
201.09048	2.0
201.12784	1.7
201.16373	19.8
202.17149	1.3
203.17929	2.4
207.81316	1.1
210.10419	1.9
213.16376	2.5
215.14325	3.9
215.17969	21.6
225.12737	5.0
229.19504	5.4
243.13777	3.0
243.21135	3.9
253.19562	7.5
271.05905	2.5
271.10367	1.0
271.13345	4.4
271.20654	16.0
271.24203	100.0
272.24609	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.113
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
51.58376	0.4
55.05518	0.8
56.05036	0.9
56.96568	0.4
57.03438	0.4
57.27564	0.3
64.09211	0.3
69.03432	1.8
69.07076	1.6
70.02959	0.4
70.06598	100.0
70.66365	0.3
71.05006	1.2
71.49813	0.5
72.04504	0.5
72.17718	0.4
72.37031	0.4
73.02932	1.0
74.06083	0.6
77.36373	0.4
79.05495	0.7
80.05026	0.5
81.03439	1.0
81.07078	0.7
83.04986	0.5
84.04514	0.6
84.08154	3.4
86.09709	2.1
87.93116	0.3
88.04018	2.3
90.05518	0.4
91.05490	0.6
94.06583	0.5
96.04433	0.4
97.02921	0.5
97.06542	0.9
98.97598	0.6
99.04491	0.7
100.07632	0.5
102.05536	0.4
104.05000	0.5
106.06652	0.4
110.06081	0.6
112.07613	53.8
114.05524	0.8
115.03963	1.1
116.07091	1.9
117.05519	0.6
118.06556	0.9
120.04485	2.0
122.06028	1.1
124.03984	0.4
125.07137	0.5
125.09602	0.6
129.05489	0.4
129.10251	1.7
130.06570	0.7
132.04451	8.1
134.06029	1.2
138.05525	0.7
140.07079	12.9
144.08115	0.4
146.06047	0.9
150.05521	3.5
158.08128	1.0
159.07642	0.9
161.04518	0.6
162.05537	0.6
168.06577	0.8
169.09808	0.4
172.07561	1.5
178.82928	0.4
183.12604	0.6
190.04893	0.4
200.06985	0.6
204.58421	0.4
208.06029	0.4
218.08186	2.5
218.65027	0.3
225.12450	0.4
226.10751	21.7
226.14227	0.8
229.11816	1.4
229.15459	1.8
230.10208	2.6
236.05634	0.6
236.09196	0.4
244.11819	1.0
254.10170	1.2
272.11331	10.0
272.14865	1.2
272.17944	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2422
Annotation	Axerophthene
Peak:m/z	Relative Intensity
51.91252	0.4
53.03949	0.8
55.05274	0.4
55.05514	5.5
57.07084	2.0
65.03915	0.4
67.05508	13.3
68.05845	0.4
69.07071	12.8
69.61498	2.2
70.47245	0.3
71.08614	0.7
79.05493	9.0
81.07063	31.6
83.08632	4.8
84.65293	0.4
88.07642	0.4
88.36335	0.4
91.05483	7.8
93.07050	23.9
95.04970	1.1
95.08611	31.5
97.10189	2.2
97.38191	0.4
103.05454	0.4
105.06301	0.8
105.07037	22.6
107.08602	24.9
109.06506	0.7
109.10162	22.2
111.11722	2.3
117.07006	3.7
119.08585	19.9
121.10154	22.8
123.11719	9.6
125.13281	2.3
129.07019	1.2
130.07808	0.4
131.08565	7.9
133.09119	0.7
133.10127	13.9
135.11696	12.6
137.13251	3.4
143.08556	1.4
144.09384	0.5
145.10129	11.0
147.11697	9.5
149.13263	13.4
154.34932	0.4
154.81224	0.4
155.08591	0.7
157.10130	1.1
159.11700	7.2
161.13271	15.1
163.14830	9.5
169.10170	0.9
171.11694	0.7
172.12439	0.4
173.09619	0.7
173.13280	5.2
175.14836	21.6
177.16412	3.6
183.11670	0.7
185.13274	1.2
187.11249	0.6
187.14827	9.7
189.09081	0.4
189.16393	7.7
191.17995	0.9
197.13368	0.7
201.09149	0.4
201.16380	15.9
203.17850	0.8
211.14809	0.6
213.16449	1.8
215.10701	1.4
215.17960	15.7
225.16444	0.6
227.17995	1.0
228.18739	1.1
229.12152	0.5
229.19545	7.4
243.10179	1.1
243.21159	1.5
253.19489	1.3
271.06000	1.5
271.09659	0.9
271.13678	1.9
271.16910	2.2
271.20874	3.0
271.24216	100.0
272.24539	2.4
272.29407	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	14.1
55.96025	1.8
56.60900	1.4
57.07074	7.1
67.05513	22.0
69.07072	46.0
70.16776	3.7
71.08636	3.1
79.05504	13.2
81.07063	50.7
83.08616	5.7
85.26992	1.6
91.05487	16.9
91.06043	2.2
93.07059	27.1
95.04958	1.6
95.08617	43.6
95.82859	1.4
97.10199	7.8
105.07043	52.4
107.08615	25.2
109.10172	21.3
111.11719	30.3
111.74156	1.5
117.07064	3.9
119.08586	37.8
121.10151	21.2
123.11719	12.9
125.13300	3.7
131.08578	12.5
133.10144	30.8
135.11710	16.0
137.13260	3.3
143.08580	3.3
145.10182	9.2
147.11691	22.9
149.09555	2.3
149.13300	14.2
157.10185	3.2
159.08092	2.6
159.11697	10.9
159.15686	1.7
161.13274	45.6
163.14819	6.0
169.10136	4.2
173.13264	5.6
175.14832	33.6
177.16385	4.5
183.11713	1.5
187.14853	7.8
189.16440	11.1
197.13269	3.4
201.16426	6.3
213.16316	1.8
215.18015	8.9
225.16423	1.9
229.19519	2.8
243.21188	3.9
253.19519	7.5
271.06198	1.7
271.20670	15.1
271.24216	100.0
271.28232	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2421
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05510	9.1
57.07064	1.1
60.36763	0.7
61.40934	0.7
67.05508	17.2
69.07071	11.8
69.37260	6.2
72.71542	0.7
79.05490	10.2
81.07061	51.5
83.08625	3.9
87.22255	0.7
91.05482	11.4
93.07048	24.4
95.08612	43.0
97.10165	4.6
104.03313	0.8
105.07039	27.2
107.07880	1.3
107.08599	25.5
109.10165	24.4
111.11731	4.7
117.07007	2.2
119.08588	24.9
121.09328	1.3
121.10143	16.6
123.11707	14.0
131.08574	5.6
133.10130	20.9
135.11696	15.8
137.13280	1.9
145.10117	6.9
147.11702	14.5
149.12192	1.3
149.13281	15.0
151.11340	0.7
157.10133	1.2
159.11713	5.3
161.11989	1.5
161.13268	20.0
163.14844	6.6
173.13266	4.6
175.14839	24.9
177.16402	4.4
185.13284	0.9
187.14882	5.2
189.16386	14.0
201.16357	9.0
203.17967	1.5
215.17967	12.6
217.63557	0.8
229.19499	3.2
243.21080	2.4
253.19501	0.9
271.24225	100.0
271.28238	4.1
272.24612	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	271.2422
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.03944	1.4
55.05510	7.9
56.83554	0.9
57.07070	3.2
67.05180	1.1
67.05511	14.2
69.07075	24.9
70.17984	1.8
70.18373	1.4
71.01750	0.7
78.42923	0.8
79.05495	8.7
81.07062	40.9
83.08619	8.4
91.05489	13.7
93.07047	24.9
95.08615	34.1
97.10175	2.8
105.07037	49.3
107.08603	25.5
109.10172	20.4
111.11726	7.7
115.05479	1.1
117.07039	5.0
119.08595	24.9
119.86333	0.9
121.10146	16.5
123.11718	11.4
125.13279	12.9
131.08562	10.1
133.10133	16.4
134.64975	1.0
135.11697	13.9
137.13245	5.8
143.08537	1.6
145.10123	9.6
147.11707	11.0
149.13274	11.8
154.07831	1.0
155.08536	1.5
157.10143	2.6
159.08040	1.8
159.11671	8.6
161.13263	18.6
163.14841	8.9
169.10156	1.4
171.11624	1.0
173.09756	1.1
173.13297	6.1
175.14835	14.7
177.16428	8.3
183.11671	1.0
185.13298	1.3
187.14833	6.6
189.16425	4.5
191.17848	1.6
197.13298	2.1
201.16426	12.8
211.14775	1.1
213.16447	1.4
215.10683	1.4
215.17976	14.5
227.10727	1.2
229.19437	4.6
243.13864	1.1
243.21191	4.1
253.16109	0.8
253.19475	2.0
271.06009	3.1
271.10065	1.6
271.13174	8.8
271.16901	4.8
271.20880	3.6
271.24219	100.0
272.24631	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	271.2422
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05516	8.3
57.07079	2.5
64.74852	1.3
67.05506	20.9
69.07071	12.9
71.08619	1.3
71.52026	2.2
79.05496	12.4
81.07060	45.1
83.08611	4.0
91.05480	12.3
93.07047	23.7
95.08616	43.9
97.10187	3.4
105.07041	27.1
107.08604	28.6
109.10159	30.8
111.11742	2.5
112.42889	1.3
117.06985	3.7
119.08594	29.5
121.10146	19.0
123.11703	14.6
131.08569	8.7
133.10136	17.5
135.11687	13.9
143.08553	2.2
145.10135	10.5
147.11711	18.4
149.12408	1.4
149.13297	14.6
152.83466	1.4
159.11678	9.5
161.13260	19.6
163.14832	7.4
171.11729	1.5
173.13332	7.0
175.14832	24.1
177.16380	4.0
183.11615	1.4
187.14790	7.2
189.16388	13.1
197.13319	1.6
201.16457	10.2
203.17793	1.9
211.14758	1.4
213.16402	2.5
215.18001	16.6
225.16400	2.1
229.19531	3.1
243.21130	3.0
253.19508	2.0
271.20724	8.6
271.24207	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2058
Annotation	Clathrin B
Peak:m/z	Relative Intensity
53.03933	2.1
54.71778	2.0
55.01866	3.8
55.05512	8.8
57.03434	2.0
57.07054	2.1
67.05513	22.6
69.07083	10.5
70.63657	1.8
71.51479	3.5
71.65570	1.8
79.05508	22.7
81.07064	36.6
83.04955	2.7
83.08616	2.3
91.05489	31.5
91.42572	1.7
93.07056	40.6
95.04954	3.3
95.08613	44.0
97.06498	2.3
97.10172	2.4
105.04533	1.8
105.07051	35.0
107.04958	3.5
107.08598	24.9
108.32497	1.7
109.06544	2.3
109.10169	13.7
111.08060	3.1
115.05511	2.1
117.07030	17.4
119.08607	27.5
121.06523	3.6
121.10172	18.3
123.08071	3.3
123.11780	2.9
128.06235	4.9
129.07010	7.0
131.08600	22.8
133.10141	19.4
135.08086	2.2
135.11703	7.6
137.09641	2.5
141.06996	8.6
142.07765	3.7
143.08565	13.3
145.10141	27.6
147.08092	2.0
147.11690	18.5
149.05988	4.4
149.09644	3.2
149.13251	4.2
153.01877	4.0
153.07021	5.8
155.08545	13.9
157.10161	13.6
159.08054	4.1
159.11716	22.6
161.09639	2.3
161.13254	19.6
165.07069	8.5
167.08621	2.4
168.05705	4.6
168.09337	2.3
169.10153	11.2
171.11722	13.4
173.13310	8.8
175.11230	2.9
175.14839	3.7
176.12134	1.9
177.12793	2.4
181.06502	4.5
182.10980	2.7
183.07996	5.8
183.11720	14.6
185.13260	11.9
186.14027	2.6
187.11234	2.5
187.14835	8.1
196.05225	2.2
197.06062	2.5
197.13295	14.9
199.14806	4.7
201.16507	2.7
211.07509	10.2
211.14848	12.5
212.15569	1.9
213.05525	2.5
213.16403	13.2
215.14375	2.0
215.17938	3.9
225.16470	8.0
227.17892	3.1
228.07874	3.7
229.12326	2.0
239.07094	3.4
240.07806	2.7
243.10204	2.0
243.21112	7.7
253.19524	44.6
254.19910	2.4
255.11351	3.2
256.07169	3.0
258.33469	2.1
271.06107	5.2
271.09656	25.5
271.12897	3.3
271.14420	5.1
271.17505	3.4
271.20612	100.0
271.24057	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	271.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53839	1.2
55.05517	10.5
56.50415	1.4
57.03434	3.1
57.07072	1.9
57.18902	1.1
67.05503	16.9
69.07076	12.1
71.05000	4.3
71.51085	2.7
79.05498	16.0
81.07063	51.4
83.08620	10.8
85.06549	4.5
91.05486	24.9
93.07047	23.7
95.04980	4.0
95.08610	27.6
97.06525	1.7
97.10173	2.1
99.08102	13.0
105.07041	32.7
107.08602	15.0
109.06514	2.7
109.10167	12.8
115.05475	3.8
117.07025	30.0
119.08577	16.7
121.10194	8.3
123.08090	2.3
123.11729	3.6
128.06219	2.3
129.07018	16.6
130.07819	1.9
131.08580	73.5
133.10152	13.4
135.08049	1.7
135.11690	5.6
137.09674	2.0
141.06969	8.7
142.07806	4.2
143.08563	29.7
143.96477	1.4
144.17511	1.5
145.06522	1.6
145.10136	28.3
147.11682	8.5
149.06244	1.5
149.13252	4.4
149.23071	1.3
151.11162	1.3
154.07767	2.7
155.08559	33.3
156.09348	2.6
157.10152	15.1
159.11693	28.4
161.09584	3.1
161.13286	8.5
169.10149	13.9
171.11687	18.9
173.13266	14.9
175.11168	1.8
175.14842	4.1
181.10181	1.9
182.10956	1.8
183.11708	11.3
185.13252	8.1
187.14828	10.4
189.12762	3.7
196.12495	1.5
197.13243	13.2
199.14931	6.5
201.12740	3.5
201.16376	3.3
211.14841	9.3
213.16423	9.0
215.14343	5.3
215.18050	2.1
225.16359	18.7
227.18018	3.9
229.15903	1.6
243.17383	2.1
243.20985	9.5
253.08496	1.5
253.19539	30.6
271.17410	3.7
271.20599	100.0
271.23801	5.3
272.20914	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2056
Annotation	Clathrin B
Peak:m/z	Relative Intensity
53.03946	1.9
55.01861	1.1
55.05507	8.2
57.03427	4.2
57.07060	2.6
61.86045	1.0
65.03932	1.2
67.05179	1.5
67.05505	18.4
68.91904	1.1
69.03399	1.4
69.07070	14.2
71.05009	1.8
71.08611	1.4
71.52082	1.3
78.17059	1.0
79.05486	9.8
79.75513	1.0
81.07056	37.9
81.07530	2.5
83.04974	2.5
83.08614	5.0
85.06562	1.3
85.10144	1.1
91.05489	17.2
93.07047	40.4
95.04958	3.0
95.08608	36.5
97.06510	2.8
97.10152	1.7
97.61753	1.2
103.05495	1.8
104.72375	1.2
105.07031	38.8
107.04951	2.3
107.08600	28.0
109.06517	4.6
109.10159	25.3
111.08045	1.3
114.82863	1.1
117.07008	8.4
119.04964	1.2
119.08585	31.7
120.47999	1.0
121.06496	6.3
121.10155	12.5
123.08034	2.7
123.11703	13.5
128.06242	1.7
129.06999	4.5
130.07776	1.9
131.08572	20.2
133.10132	17.5
135.08055	2.0
135.11697	11.7
137.09532	1.3
137.13245	1.3
141.06978	4.4
142.07785	2.7
143.08569	14.9
144.09357	1.8
145.06493	1.8
145.10120	23.3
147.07985	4.0
147.11696	13.0
149.09605	3.3
149.13287	8.7
151.11151	1.7
155.08600	6.3
156.09296	1.6
157.10121	13.0
159.08058	4.7
159.11699	19.6
161.09642	2.0
161.13290	11.8
163.11218	2.5
163.14828	4.6
169.10101	6.8
171.11728	10.1
173.09654	2.0
173.13261	14.2
175.11192	4.9
175.14850	8.7
177.12747	2.5
177.16414	1.7
183.11700	9.5
185.13200	4.1
187.11156	2.2
187.14816	6.9
189.12715	6.1
189.16411	3.4
197.13264	13.4
199.14780	2.0
201.12766	9.1
201.16431	8.6
211.14873	6.6
213.16338	9.4
215.14325	10.9
215.17946	6.4
225.16406	3.3
227.17946	2.6
229.15907	2.6
229.19556	4.9
243.21156	5.1
253.19521	44.0
253.22203	2.4
271.05960	2.6
271.17157	4.2
271.20566	100.0
271.24133	32.4
272.20898	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2058
Annotation	Clathrin B
Peak:m/z	Relative Intensity
53.01143	1.2
53.03954	2.3
55.05519	11.3
57.07081	2.9
66.75848	1.1
67.05506	14.7
67.34370	1.2
69.03413	2.1
69.07078	17.8
71.04990	1.7
71.50700	2.0
79.05504	12.8
81.07067	36.7
83.04980	2.9
83.08622	6.8
83.81657	1.2
85.06530	1.8
90.52058	1.3
91.05493	23.2
93.07055	34.5
95.04965	3.2
95.08617	31.3
97.06562	2.7
97.10178	6.1
105.07041	94.7
107.04975	1.8
107.08617	22.0
109.06535	4.4
109.10183	25.1
109.64309	1.4
111.11709	1.8
117.07008	7.0
119.04946	12.3
119.08592	65.9
121.06554	6.6
121.10149	14.8
123.11721	9.2
125.09663	2.1
128.06229	2.5
129.07039	1.6
130.07777	2.3
131.08594	15.1
133.10143	16.4
135.11708	9.4
137.09648	3.6
137.13225	3.2
141.07027	2.9
142.07794	2.2
143.08586	19.8
145.10158	17.0
147.08069	4.2
147.11703	72.8
149.13237	7.0
155.08575	5.0
156.09431	2.5
157.10095	10.0
159.08115	2.0
159.11707	12.8
161.09692	3.3
161.13286	14.8
163.11264	1.7
163.14868	2.2
168.09435	1.9
169.10175	7.9
170.10938	1.4
171.11658	8.3
173.13248	7.6
175.11220	9.9
175.14825	7.7
177.12766	2.6
177.16391	1.8
179.14296	6.7
182.10847	2.0
183.11665	6.8
185.13200	3.0
187.14809	8.0
189.12764	11.7
189.16460	2.3
191.14354	1.6
197.13293	10.2
201.12762	9.8
201.16389	7.5
211.14832	4.5
213.16377	6.7
215.14401	9.3
215.18042	5.6
225.16386	3.3
227.17976	2.8
229.19577	2.9
243.17537	3.0
243.21178	4.6
253.19534	37.4
271.06104	2.1
271.17499	3.8
271.20612	100.0
271.24176	22.6
272.20813	2.4
290.12973	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2057
Annotation	17-Methyl-18-norandrosta-4,13(17)-dien-3-one
Peak:m/z	Relative Intensity
50.13194	0.8
53.03944	1.9
55.05511	9.6
57.03428	0.9
57.07066	1.4
67.05507	20.2
68.99449	0.9
69.07065	9.4
71.04998	0.9
71.51464	1.7
78.11715	0.8
79.05079	1.3
79.05495	18.7
81.07058	100.0
82.07373	0.8
83.08605	4.1
88.07612	1.0
91.05482	14.8
91.58241	1.0
93.06486	1.8
93.07048	28.2
95.04945	1.8
95.08608	40.4
95.66349	0.9
97.06529	1.7
97.10134	1.9
104.10736	1.3
105.07030	38.7
106.13678	1.0
107.07880	1.6
107.08599	28.0
109.06523	2.2
109.10161	20.7
111.11674	1.2
115.05443	2.0
117.07013	9.8
119.08590	21.6
121.06509	1.3
121.09339	1.4
121.10152	20.7
123.11697	6.1
125.13240	1.1
128.06213	2.2
129.07018	8.3
130.07727	1.3
131.08563	21.9
133.10139	20.8
135.08035	1.2
135.11710	15.6
137.09604	1.5
137.13228	2.2
141.06984	2.9
142.07747	2.7
143.08577	10.7
145.10130	20.1
147.08083	1.7
147.10670	1.5
147.11707	17.0
149.09587	2.1
149.13245	10.6
149.54895	1.2
155.08572	9.8
156.09337	1.1
157.10158	8.9
159.08072	2.4
159.11711	15.0
161.09613	2.2
161.13255	17.8
163.11206	5.7
163.14836	6.2
169.10149	10.7
171.11688	16.0
172.12074	0.9
173.09618	2.8
173.13292	17.3
175.11217	2.7
175.14847	14.8
176.80605	0.9
177.12708	1.5
177.16385	2.3
182.10889	1.7
183.11661	6.7
185.13231	6.3
187.11224	1.1
187.14822	9.5
189.12779	6.2
189.16371	4.6
191.14296	5.4
195.11511	1.0
196.12398	1.2
197.13246	12.2
199.14821	3.1
201.12766	2.3
201.16408	8.9
211.11241	0.9
211.14815	12.7
213.16371	9.8
214.88632	0.9
215.10654	3.0
215.14290	2.8
215.17966	9.2
225.16391	9.1
226.95235	0.9
227.17915	1.5
229.15892	2.0
229.19408	2.9
243.17572	1.8
243.18597	1.0
243.21115	15.7
253.19518	56.9
271.05978	2.4
271.09500	1.5
271.17093	6.8
271.20557	95.0
271.24158	56.8
272.20953	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00339	3.1
51.21836	2.4
53.03945	4.8
55.01860	10.8
55.05515	16.0
57.03434	2.6
63.99053	2.9
66.64015	2.6
67.05495	23.1
69.03413	8.2
69.06783	2.7
69.07079	29.8
70.15232	3.1
71.04984	14.7
71.50971	3.9
71.51380	4.5
79.05493	37.8
81.03416	12.1
81.07059	58.0
83.04987	23.2
83.08620	20.8
85.02904	3.8
85.06535	7.8
91.05479	28.7
93.06488	5.5
93.07052	90.1
95.04985	21.3
95.08618	52.5
95.21243	2.8
97.06532	34.5
99.04473	22.5
105.06396	4.8
105.07039	51.6
107.04951	4.7
107.08591	31.7
109.06538	38.5
109.10155	10.6
111.08087	19.3
113.06014	6.9
117.07014	4.1
119.04946	5.4
119.08594	31.8
121.05672	5.2
121.06515	93.8
121.10149	14.5
123.04382	7.9
123.08067	10.4
123.11688	6.3
123.66957	2.9
125.05997	18.9
127.07539	12.6
129.06993	10.3
131.08575	12.5
133.06506	5.3
133.10106	27.1
134.80653	3.0
135.04431	7.8
135.08052	10.4
135.11729	3.8
137.05989	7.7
139.07547	40.4
141.05449	4.9
141.07005	5.2
142.07784	6.3
143.07042	10.6
143.08580	9.4
145.10098	13.5
147.08023	6.6
147.11699	59.7
149.09610	4.1
149.13254	6.3
151.11143	3.7
153.07043	6.8
154.14619	2.8
155.07211	3.4
155.08540	12.1
156.09308	3.6
157.08630	13.7
157.10118	20.6
159.06528	13.9
161.13284	18.0
163.14896	4.3
165.07045	20.5
165.12708	13.4
171.11673	18.2
173.09628	4.2
173.13229	3.3
175.11186	39.0
181.06477	3.7
181.10139	5.8
183.08058	9.9
183.11659	3.6
189.12769	28.2
193.12233	38.1
196.05180	3.8
197.06038	3.9
199.11171	40.4
207.13815	19.2
211.07582	14.2
211.13255	19.2
217.12262	100.0
228.07616	3.7
235.13321	68.9
239.03040	3.1
242.09149	3.4
253.14330	42.7
253.19539	10.7
256.07416	3.3
271.09518	25.6
271.20505	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	12.7
53.38787	4.4
55.01872	12.0
55.05508	20.7
55.68115	4.1
56.96578	4.3
57.03413	6.2
58.57149	5.0
58.60315	5.1
67.05514	69.5
69.07061	31.5
69.79665	18.1
69.80075	9.4
71.04985	17.7
79.05499	49.9
81.07057	100.0
83.04975	14.0
83.08619	16.2
85.06560	16.2
90.18684	5.0
91.05490	53.1
93.07050	80.7
95.04967	11.8
95.08615	68.2
97.06542	23.3
97.10185	8.8
98.97572	5.4
105.07037	68.1
107.08604	56.1
109.06533	32.6
109.10156	55.5
111.08096	7.8
117.07021	13.3
119.04952	9.3
119.08588	37.9
121.06510	68.1
121.10139	41.9
123.04351	5.7
123.08065	8.3
123.11708	20.8
125.06027	6.6
125.30413	4.6
127.07549	7.1
129.06992	8.5
131.08580	18.9
133.10162	38.4
133.98198	4.4
135.08023	15.6
135.11679	24.3
139.07579	11.8
141.07047	10.7
142.07713	8.3
143.08524	18.8
145.10101	20.3
147.08125	7.6
147.11705	57.6
149.13239	10.5
151.11150	7.5
153.07019	24.2
154.07780	9.3
155.08585	17.6
156.09372	6.6
157.08667	5.6
157.10143	17.7
159.08156	4.9
159.11717	10.3
161.13252	20.7
163.14879	7.2
165.06998	62.2
165.12779	33.7
168.05727	9.2
169.06497	10.9
169.10107	10.2
171.11723	16.4
173.09476	6.9
173.13268	13.6
175.11185	19.5
175.14832	6.9
181.06511	18.7
181.10025	5.3
182.07253	5.4
183.08047	32.8
183.11618	7.8
185.06126	5.1
185.13322	6.3
187.14835	5.8
189.12744	18.8
191.14592	5.6
193.06476	10.1
193.12254	16.8
196.05211	11.1
197.09532	5.8
197.13318	9.8
199.11177	17.5
207.13771	10.5
211.07582	35.1
211.14891	6.9
212.08110	6.2
213.05446	5.1
213.16478	12.5
215.18163	5.2
217.12267	50.7
221.05966	7.2
225.16492	7.2
228.07745	6.3
229.14285	11.9
235.13249	46.9
239.07071	11.8
243.10170	12.3
253.14302	37.4
253.19548	21.1
271.06384	8.9
271.09631	93.3
271.12869	8.5
271.17059	12.5
271.20572	48.3
271.24118	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	271.1443
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
55.05514	1.2
61.11707	0.8
67.05506	2.2
69.07069	1.2
70.67634	2.4
79.05505	4.1
81.05802	1.2
81.07057	4.1
91.05488	3.3
93.05782	1.6
93.07038	2.5
94.06569	2.1
95.08600	3.2
96.08146	3.9
98.97577	0.8
105.07040	2.9
106.06554	2.0
107.08573	2.1
108.08116	13.2
109.10159	2.0
109.58008	0.8
117.07031	0.9
119.08579	3.3
120.08117	1.5
121.10149	2.6
122.09684	2.2
123.11770	1.2
128.06252	1.0
129.06961	1.7
130.06526	1.1
131.08556	1.8
133.10168	2.1
134.05997	2.8
135.11707	1.4
136.07600	2.3
142.07788	1.8
143.08566	1.5
144.08119	1.5
147.11734	1.2
148.07503	1.0
149.13240	0.9
153.07060	1.3
154.06558	1.3
155.08543	1.1
156.08109	1.7
157.10178	2.3
158.09654	1.1
159.08052	1.2
159.11707	1.6
161.13310	1.7
165.06960	0.8
166.07799	1.5
168.08083	5.1
169.08890	5.5
169.10138	1.3
170.09663	2.1
171.09236	1.2
172.07614	3.5
173.13257	1.1
174.09161	2.9
175.14839	1.3
181.10158	2.0
182.05978	1.0
182.09682	2.4
183.10455	8.2
183.11829	1.3
184.07628	1.0
185.10735	3.3
186.11592	2.6
187.14803	0.9
196.07632	8.0
197.08368	13.0
198.09210	2.8
198.12814	7.1
199.08661	11.1
199.12445	2.2
200.13109	2.1
201.16269	1.0
208.11249	1.4
210.09183	3.1
211.09943	23.1
212.09352	1.3
213.10237	17.9
214.10930	5.9
215.15546	4.5
215.17661	0.9
225.13887	1.7
226.12285	48.0
227.08110	0.9
227.11826	20.1
228.12599	34.8
239.11885	1.2
241.09767	1.6
241.13321	0.9
242.10483	2.1
243.14970	31.6
253.13420	7.6
254.11859	3.2
255.11278	14.0
256.12085	21.4
271.14438	100.0
271.20361	4.2
271.24014	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	270.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50661	1.5
55.05501	4.9
67.05491	5.7
69.07072	8.6
69.34151	14.0
79.05489	7.0
81.07056	15.9
83.08607	6.3
88.07626	2.4
89.01244	1.6
91.05468	5.6
93.07047	17.7
95.08612	20.1
96.08942	2.2
97.06520	5.4
105.07040	29.3
107.08575	10.3
109.06522	1.9
109.10146	5.9
117.06981	2.9
119.08578	25.9
121.06495	4.5
121.10136	13.7
123.08052	3.3
131.08545	2.6
133.10123	14.3
135.11580	2.2
137.09593	2.4
139.07541	7.6
139.11179	2.1
141.32237	1.6
143.08574	2.1
145.10089	2.1
147.08028	4.0
147.11699	3.6
149.09659	2.4
151.07549	2.9
153.09065	2.4
157.10098	3.2
159.11681	2.4
161.09673	2.6
165.09062	8.2
171.11560	1.6
173.13225	5.7
175.14832	50.1
179.10628	8.4
189.16376	3.7
199.14841	5.5
217.15868	12.2
235.16939	100.0
241.11763	2.2
253.18010	4.6
270.15750	3.9
270.19263	2.9
270.27942	2.1
271.13269	5.7
271.16336	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	271.0602
Annotation	Apigenin
Peak:m/z	Relative Intensity
56.45263	0.1
57.21939	0.1
60.00368	0.1
67.01871	1.7
68.99784	1.2
70.32714	0.4
81.07081	0.1
91.05488	1.8
93.07040	0.1
95.04964	0.1
95.08559	0.2
119.04947	5.1
119.08585	0.1
121.02879	1.6
129.01854	0.2
131.04909	0.2
131.08577	0.1
141.06969	0.3
145.02864	1.5
153.01837	12.0
159.07906	0.1
163.03914	0.9
165.07088	0.2
169.06450	0.3
171.02867	0.6
187.03900	0.4
197.06059	0.3
203.07039	0.2
225.05432	0.6
229.04901	0.5
243.06496	0.7
247.06172	0.2
253.04724	0.2
255.96188	0.1
257.83191	0.1
271.06021	100.0
272.06396	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01883	3.3
55.05508	2.2
57.03444	3.3
65.03950	3.0
67.05505	2.1
69.03447	0.8
69.07066	1.4
70.06598	4.0
70.09193	1.0
72.08173	5.3
73.02926	30.1
75.04475	2.8
77.03911	0.5
79.05495	1.6
81.03442	0.5
81.07061	1.5
83.04970	0.6
84.08171	0.7
85.02920	0.9
85.06561	0.6
86.09716	0.8
91.03947	0.7
91.05476	3.1
93.03419	3.7
93.07068	2.1
95.04970	2.0
95.08643	0.7
97.02888	0.5
105.07043	1.1
107.04969	1.7
107.08584	0.7
108.02094	1.3
109.02894	0.6
109.06514	0.6
110.03677	5.1
111.04449	4.8
116.07105	1.8
119.04965	2.5
119.08616	0.7
121.06551	1.2
121.10104	0.7
122.03654	0.7
123.04449	1.4
125.06007	40.0
131.04979	0.6
135.08096	1.2
136.01656	0.5
137.06042	2.7
139.07500	0.6
141.05495	2.1
145.06490	0.8
147.06549	3.4
149.05974	2.7
151.03925	100.0
151.05019	8.0
151.07498	4.8
157.07709	1.3
163.07576	2.8
165.07011	0.7
179.07054	19.2
181.08492	0.5
182.05753	0.5
183.08087	1.0
185.00957	0.6
196.05257	0.5
197.08119	19.9
199.09654	1.1
211.07617	1.9
225.07608	3.7
225.16304	0.5
253.10670	2.5
270.34113	0.5
271.11917	15.5
271.16409	0.8
271.20605	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2264
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
53.03934	0.9
55.05512	5.3
57.03415	1.0
57.07061	2.0
66.15446	0.8
67.05507	13.8
69.07076	10.3
71.08630	0.8
71.51134	0.8
73.01455	0.8
79.05501	9.6
81.03403	1.0
81.07059	27.0
81.85897	0.7
83.08620	3.8
85.06527	1.5
85.10204	0.9
90.60557	0.7
91.05485	13.5
93.07045	19.6
95.04942	1.4
95.08610	21.7
97.06512	0.8
97.10143	1.7
105.07032	25.9
107.08604	16.7
109.06496	1.2
109.10164	14.6
111.08050	0.7
111.11703	0.8
115.05477	0.8
117.07023	6.3
118.41650	0.6
119.08593	15.8
121.10148	11.1
123.11732	3.7
128.06201	1.7
129.07016	5.7
131.08574	17.9
133.10144	13.7
135.11713	4.8
141.07019	1.0
142.07777	2.2
143.08571	12.9
144.09314	1.7
145.10135	19.1
147.11691	9.4
149.13222	4.7
155.08574	2.2
156.09305	1.5
157.10129	13.1
158.10910	1.0
159.11702	18.5
161.13272	9.0
163.14816	1.5
164.85695	0.8
169.10130	2.7
170.10963	1.0
171.11687	10.2
173.13258	12.9
175.14841	9.0
183.11731	2.7
185.13263	12.4
187.14827	7.3
189.16425	1.6
190.42172	0.8
195.11635	2.3
197.13266	1.3
199.14850	12.9
200.15494	1.0
201.16380	2.1
211.14859	2.3
213.12901	1.0
213.16380	16.2
226.17181	1.7
227.17944	7.5
241.19528	4.7
251.17876	1.1
269.19196	5.9
269.22644	100.0
270.22952	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.7
55.05507	6.0
56.05026	2.6
56.96579	11.6
57.03434	6.5
57.07070	6.4
61.02929	6.1
67.05511	9.2
69.03436	15.8
69.07095	5.1
69.53231	1.7
69.53590	14.0
70.06596	11.2
71.04997	4.9
72.08155	2.5
73.02918	9.4
73.06570	7.6
79.05510	3.1
81.03426	7.5
81.07074	2.3
82.99840	4.4
83.06081	3.3
84.08151	6.9
85.01411	3.0
85.02908	28.9
85.06544	3.0
86.09698	3.7
91.05471	2.6
93.04503	2.4
95.06092	11.5
97.02915	12.9
97.06538	2.6
98.06047	1.9
98.21443	4.2
98.97582	11.7
101.00894	47.6
102.00999	3.1
103.02469	5.4
103.43404	2.1
108.08133	37.5
109.02900	4.9
110.01307	2.1
110.07171	31.6
110.97578	2.4
112.07603	4.7
113.00893	6.7
114.98098	2.0
115.02442	7.6
116.98624	4.7
117.03967	3.1
119.01932	100.0
120.01976	2.1
127.02457	2.4
127.03922	7.7
127.08695	3.7
128.98595	2.8
129.03984	2.4
131.01926	13.3
131.05522	2.4
133.03470	14.0
133.07596	2.2
134.99631	2.2
136.06184	2.4
137.01959	3.0
137.02962	22.2
137.06023	2.2
138.05507	28.9
139.05032	2.7
140.05537	3.9
142.03517	2.7
143.01898	21.6
145.03445	5.8
145.05009	3.9
146.99670	2.6
147.05821	4.6
148.07608	3.9
151.04532	2.4
153.03992	4.2
155.01903	7.2
155.08147	2.8
156.05098	2.8
156.07698	4.0
157.01805	2.1
157.03516	5.3
158.06641	29.3
158.99615	2.9
159.01428	11.7
161.02960	30.4
162.03067	2.4
170.06686	5.7
171.01398	2.8
173.02985	9.8
173.06598	4.4
174.03075	2.6
174.04451	6.6
175.04547	2.9
176.07726	17.9
177.00928	3.6
177.02446	51.0
179.11848	5.4
180.06310	4.1
185.02991	3.8
185.06636	6.7
186.04630	2.4
186.06238	3.7
187.00923	2.3
187.02777	2.3
188.07666	22.1
189.02393	4.3
189.06792	2.4
191.04037	5.9
192.01259	3.2
196.04729	2.1
200.04269	2.6
200.07829	3.0
201.02470	45.0
202.09262	3.5
203.04030	7.7
205.01994	3.0
206.12965	5.2
209.12927	2.5
211.14386	3.3
215.00462	2.2
217.03687	2.3
217.88284	2.1
219.01839	3.6
219.03526	89.1
219.07945	4.2
220.03639	2.7
221.03065	2.2
221.05104	5.9
224.07687	5.4
224.13988	20.6
228.99710	3.7
229.01947	54.7
229.04037	3.2
229.05536	3.0
242.05226	3.4
242.08745	7.4
245.05087	2.9
247.02994	92.8
252.13461	2.5
258.13733	3.8
261.27643	2.2
270.08310	29.2
270.14529	47.3
270.21671	3.1
271.06332	2.3
275.09805	7.6
288.09177	4.9
293.10919	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	269.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
55.01871	2.8
55.05266	1.9
55.05517	22.2
57.03442	26.2
57.07074	3.5
58.02165	1.2
65.03937	3.6
67.05510	79.8
69.03427	1.9
69.07076	28.3
71.04996	8.2
73.02901	1.2
77.03941	1.7
79.05500	45.0
81.03421	1.8
81.07065	100.0
83.04977	11.1
83.08622	16.5
85.06553	7.1
85.41212	1.1
91.05488	28.3
93.07049	63.1
95.04980	7.5
95.08623	24.8
95.09238	1.5
97.06539	16.8
97.10178	3.6
99.08119	4.4
105.07060	15.2
107.08607	33.2
109.06530	4.7
109.10159	7.6
111.08106	7.5
113.09603	1.9
117.07042	11.8
119.03752	1.1
119.04852	1.2
119.08601	7.7
121.06518	3.4
121.10155	16.8
123.08102	1.8
123.11704	4.3
127.07605	1.3
129.06972	2.9
131.08574	15.9
133.10138	17.3
135.08051	2.9
135.11697	12.4
136.11922	1.3
139.11162	1.6
141.06961	2.5
143.08568	4.4
145.10136	4.6
147.11729	4.3
149.09746	1.6
149.13274	39.1
155.08569	2.4
157.10136	6.4
158.73521	1.4
159.08118	2.8
159.11717	27.9
160.11992	1.3
161.13245	3.9
167.08571	2.4
169.10201	2.7
171.08098	2.5
171.11716	3.3
172.08904	2.3
173.13225	2.9
174.10443	1.8
175.07602	2.5
177.12738	9.4
179.14365	1.5
181.10170	2.3
183.08000	2.0
185.06126	1.4
185.09628	4.5
185.13280	2.6
186.10388	1.4
187.09676	1.1
187.11053	6.3
187.14799	1.6
189.09149	1.5
193.10213	1.8
195.10114	1.3
195.11758	3.5
195.13832	11.3
197.09659	5.4
197.13332	1.4
198.10387	1.5
199.07634	2.6
199.11217	7.5
199.14885	1.7
209.13412	1.7
211.07613	2.1
211.11179	3.6
211.14902	1.5
212.12001	3.0
213.08994	3.0
213.12648	3.5
213.14650	1.6
213.16566	2.0
223.14848	2.4
225.09160	3.8
226.13634	3.3
227.10678	3.9
234.66965	1.4
239.10680	3.1
240.11574	4.2
241.12389	1.5
241.15855	5.8
251.14211	1.3
251.17972	1.8
251.20222	1.8
254.13094	4.2
269.15344	61.1
269.17670	31.6
269.22458	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	269.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.01871	3.9
55.05514	27.0
57.03442	31.0
57.07075	3.7
59.12972	1.3
65.03938	3.1
67.05509	81.5
69.03433	2.4
69.06727	2.4
69.07075	32.3
71.04989	6.0
74.80608	1.3
77.03927	1.4
79.05502	48.2
81.03445	2.7
81.07059	100.0
83.04993	12.1
83.08625	19.0
85.06555	6.1
91.05490	33.4
91.06029	2.7
91.14012	1.4
93.07050	70.3
95.04971	10.7
95.08615	33.8
97.06540	17.2
97.10185	2.5
98.21636	2.3
99.08098	4.6
105.04521	1.4
105.07036	20.0
107.08601	38.4
109.06521	4.0
109.10171	7.9
111.08074	13.2
117.07034	11.4
119.08583	8.9
121.06490	2.9
121.10144	20.4
122.66956	1.5
123.08150	1.6
123.11716	4.9
128.06181	2.7
129.07019	3.8
131.08598	16.7
133.10144	14.6
135.08093	2.7
135.11696	16.3
139.11203	2.3
142.07813	2.4
143.08589	5.4
145.10159	5.9
147.11694	5.5
149.09695	2.8
149.13263	44.8
151.11218	2.7
154.07713	1.3
155.08545	2.1
156.09308	2.4
157.10172	5.4
159.08070	3.5
159.11719	28.2
161.13266	2.7
165.07004	2.0
167.08575	1.9
169.10172	3.3
171.08047	2.9
171.11745	5.8
172.08804	2.7
173.09624	2.5
173.13326	2.3
175.07521	2.3
177.12761	11.8
179.08591	1.7
179.14340	1.8
180.09244	1.6
181.10109	2.6
183.08084	3.0
184.08797	1.6
185.09689	3.6
185.13319	2.4
187.11217	5.6
190.10043	1.9
193.10194	1.7
195.08092	1.4
195.11902	2.6
195.13838	14.7
197.09624	7.4
198.10393	1.9
199.07590	3.4
199.11079	6.8
199.14899	3.1
208.70776	1.3
209.13339	2.0
211.07735	1.4
211.11163	5.0
212.12042	4.6
213.09132	2.9
213.12785	3.2
213.16463	1.7
213.59625	1.4
223.11185	1.3
223.14984	1.5
225.09181	3.9
225.12762	2.2
226.13474	2.9
227.10597	2.7
227.14230	1.7
239.10745	3.6
240.11476	3.9
241.15862	7.2
251.17982	2.7
251.20172	1.7
254.13075	5.5
269.08051	1.9
269.15329	64.1
269.17642	38.9
269.22455	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	269.1385
Annotation	Teucrein
Peak:m/z	Relative Intensity
50.31078	5.2
53.03921	7.3
55.01863	29.7
55.05509	26.6
57.03421	6.2
57.07064	10.8
61.59507	4.8
65.03947	7.4
67.05511	61.1
68.99799	10.9
69.03435	24.5
69.07069	45.0
69.63258	38.0
71.04990	18.5
79.05505	53.8
81.07054	100.0
83.05000	47.7
83.08645	10.2
85.06552	33.9
87.04483	6.5
91.05484	35.5
93.07048	84.5
95.04967	43.9
95.08599	49.2
97.06534	56.6
99.04453	16.4
105.07054	50.3
107.04967	12.2
107.08593	79.0
109.06532	56.1
109.10191	31.0
111.08080	22.5
113.05991	15.0
117.07009	9.2
119.08573	30.7
121.06542	39.5
121.10120	43.4
123.04433	17.5
123.08070	23.1
125.05996	64.5
127.07566	25.8
128.06242	7.5
131.08582	16.6
133.06479	5.8
135.04449	6.0
135.08060	16.5
135.11688	14.5
137.05968	31.2
137.09593	27.4
139.07544	9.6
141.05557	7.9
143.07050	34.6
143.08629	10.9
145.10136	48.7
147.08061	11.2
147.11717	17.7
149.09624	10.9
149.13258	8.6
151.07555	35.7
153.05443	6.5
155.07002	7.9
157.10115	11.4
159.11711	19.0
163.11180	56.8
165.09155	10.5
167.10699	16.4
169.08617	92.3
169.10036	5.9
171.11664	7.7
173.08087	5.1
173.09641	14.8
173.13187	5.7
179.10628	5.7
181.06523	6.6
181.12184	27.5
183.11673	5.2
187.11226	26.0
187.14781	7.2
191.10648	30.8
195.06592	46.4
205.12274	17.1
209.11768	75.1
215.10678	15.3
227.12750	38.8
233.11713	61.3
251.12778	59.3
269.08337	6.1
269.13919	20.0
269.18942	13.1
269.22592	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	268.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.8
67.05499	2.1
69.03415	1.5
69.67756	2.6
69.68159	1.1
79.05498	2.3
81.03413	1.1
81.07052	2.3
91.05426	1.0
93.07040	2.9
95.04971	0.9
95.08607	9.8
96.04485	1.0
98.20800	1.0
99.08110	6.2
105.07059	4.2
107.04971	1.1
107.08578	0.8
109.06512	1.1
121.06513	5.9
123.04418	2.0
123.08071	10.6
133.06494	3.2
135.04440	1.1
135.08076	0.9
136.06197	2.9
137.05994	13.2
144.08078	1.1
146.84315	0.6
147.08101	0.8
148.43616	0.7
149.05988	17.2
149.09566	0.6
150.06783	1.5
151.07549	100.0
152.05702	2.3
152.08334	34.9
161.06006	1.1
161.09654	1.4
163.07541	2.1
164.08344	79.0
175.07559	3.0
177.09137	1.3
179.06516	1.2
190.08571	0.7
191.10634	0.7
196.13289	0.8
217.12271	4.9
224.12718	0.8
232.14507	3.6
234.17812	0.6
250.15706	23.4
268.15601	1.3
285.03320	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24855	12.2
58.57279	12.2
59.54624	11.0
70.00776	56.6
94.93015	33.3
115.48487	12.9
123.41565	12.8
134.96121	52.2
164.93593	63.0
165.16960	13.5
178.95102	36.1
188.93442	17.8
230.26880	12.9
268.94620	100.0
268.98181	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	268.9829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22748	2.5
70.27997	5.2
70.28386	4.7
81.62939	2.3
94.93009	5.3
99.93034	2.4
110.48973	2.4
112.89594	8.0
134.96126	4.1
136.94023	6.7
162.95567	3.0
164.93469	4.7
176.93544	6.9
195.76202	2.4
268.95145	5.4
268.98260	100.0
276.40091	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1044
Annotation	Adenosine
Peak:m/z	Relative Intensity
54.75983	0.2
55.01873	0.4
55.05518	0.3
56.96568	1.1
57.03427	0.8
60.04504	0.2
61.02914	0.2
67.05518	0.2
69.03429	1.0
70.06579	0.6
70.28712	0.7
70.59613	0.2
71.01342	0.3
73.02888	0.4
74.06070	0.2
81.03445	0.2
81.07030	0.3
84.08146	0.5
85.02914	1.4
88.37304	0.2
94.04057	0.5
97.02881	0.7
98.06047	0.2
98.97606	1.0
106.06552	0.5
110.97585	0.2
112.07626	1.3
116.98644	0.3
117.22904	0.2
119.01914	0.4
119.03558	0.8
120.08154	0.3
121.08428	0.4
127.03893	0.4
130.08643	0.4
136.06197	100.0
137.02330	0.2
137.04587	0.4
140.05557	0.4
156.03316	1.8
158.06642	2.5
160.06355	0.3
168.03365	0.4
170.06621	0.4
173.03130	0.2
174.04402	1.0
176.07623	1.0
185.02917	0.3
186.04396	1.8
188.07675	1.8
204.05469	1.3
204.80090	0.2
210.99246	0.3
224.07741	1.1
229.00185	0.4
237.02876	0.3
242.08797	0.5
245.05217	0.6
268.07172	0.5
268.10394	5.6
271.01276	0.5
286.07751	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.1
54.23410	0.5
55.05282	0.6
55.05514	4.5
57.03431	1.5
57.07047	0.6
65.63807	0.5
67.05177	0.9
67.05508	10.8
69.03387	0.5
69.07068	4.9
71.04971	0.6
71.51314	0.8
77.03944	0.6
79.05494	8.1
81.03420	6.2
81.06593	0.9
81.07059	15.6
83.04991	0.9
83.08617	2.3
87.77164	0.5
91.05481	11.3
93.07047	14.3
95.04960	2.2
95.08611	12.0
95.09180	0.3
97.10131	1.1
103.05466	0.7
105.07037	19.6
107.08591	10.6
109.10152	6.9
111.08042	0.5
115.05452	1.2
117.06243	0.6
117.07032	6.3
119.08588	12.8
121.10131	5.2
123.08098	0.6
123.11713	2.1
128.06247	3.0
129.07008	6.5
130.07791	0.9
131.08568	16.1
133.10127	7.1
135.11694	3.1
136.06122	0.6
141.06963	4.1
142.07794	3.8
143.08571	11.9
144.09334	1.5
145.10127	14.6
147.11691	4.1
149.13229	1.8
153.06969	1.0
154.07777	1.8
155.08549	9.3
156.09317	1.9
157.10139	13.6
157.47397	0.5
159.11720	9.8
161.09705	0.7
161.13255	2.0
167.08562	2.0
168.09319	1.6
169.08759	0.9
169.10143	12.6
170.10892	0.8
171.11705	10.3
173.13263	12.3
175.11227	1.3
175.14845	2.3
181.10129	2.0
182.10931	1.9
183.11707	10.8
185.13272	10.1
187.14819	3.6
193.12231	1.2
195.11665	1.3
196.12463	1.9
197.13280	14.5
198.14023	1.0
199.14816	6.6
209.13303	1.2
210.13921	0.8
211.14835	13.8
212.15552	1.4
213.16328	0.7
223.14799	1.0
224.15620	1.2
225.12953	0.8
225.16409	8.3
237.16412	0.7
239.17979	5.1
249.14618	0.7
249.18571	0.7
250.28380	0.6
252.18768	0.9
257.08682	0.5
267.21085	100.0
268.21390	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	4.3
57.07069	1.1
57.77124	0.7
67.05510	6.2
69.07072	4.7
69.89190	4.3
72.12222	0.7
79.05497	7.6
81.03407	3.0
81.07066	17.2
83.08606	2.6
91.05476	9.2
93.07047	12.4
95.04946	1.0
95.08620	10.2
105.07040	17.8
107.04975	5.0
107.08607	8.0
109.10155	5.6
115.05437	1.9
117.06998	4.1
119.08592	10.8
121.10133	3.6
123.11721	2.6
128.06158	1.7
129.07016	5.1
130.07803	1.2
131.08571	12.8
133.10133	4.1
135.11691	2.6
141.06982	3.1
142.07791	3.6
143.08557	10.6
144.09306	1.5
145.10138	11.2
147.11679	4.8
149.13303	1.8
154.07776	2.7
155.08578	9.7
156.09328	2.3
157.10136	14.0
159.11687	11.3
161.13228	2.1
167.08612	1.7
168.09332	1.8
169.10136	11.9
171.11699	12.3
173.13278	8.7
175.14822	1.5
181.10118	2.3
182.10902	2.4
183.11674	10.7
184.12308	0.8
185.13231	8.7
187.14807	2.5
195.11736	1.5
196.12465	1.7
197.13271	12.5
198.14012	0.8
199.14838	5.8
209.13367	0.9
211.14833	16.8
212.15462	0.8
225.16391	7.1
239.17906	2.7
239.50876	0.8
252.18645	0.9
267.21085	100.0
268.21500	1.7
286.91116	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.05503	3.5
57.07078	1.8
59.04959	0.8
66.73042	0.9
67.05505	8.7
69.07064	3.7
79.05502	8.4
81.03420	1.3
81.07063	18.2
83.08598	1.2
85.25130	0.8
85.88467	0.9
91.05484	7.6
93.07051	13.7
95.08608	12.4
97.10147	1.6
98.98468	3.1
105.07047	16.0
107.08589	6.6
109.10149	5.3
117.07036	4.2
119.08589	9.0
121.10141	3.4
123.11685	2.0
128.06224	2.3
129.07034	5.1
131.08569	10.7
133.10153	6.5
135.11694	2.5
141.06981	3.4
142.07780	3.7
143.08565	11.7
145.10129	10.7
147.11668	3.5
149.13274	1.6
154.07820	0.9
155.08575	9.9
156.09409	1.3
157.10138	13.1
159.11711	9.2
160.68785	0.9
161.13281	2.5
167.08682	1.0
168.09355	1.7
169.10170	10.4
171.11687	10.7
173.13278	9.4
181.10149	2.1
182.10947	2.1
183.11688	10.7
185.13287	10.1
186.26305	0.8
187.14864	3.6
190.94559	0.9
196.12422	1.0
197.13268	11.6
198.13919	1.5
199.14793	5.0
209.13443	0.8
211.14824	16.5
225.16425	8.4
239.17958	4.7
267.21094	100.0
268.21506	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03954	3.9
55.01877	2.1
55.05516	7.5
57.03440	18.0
64.84477	0.7
67.05509	11.6
69.03429	3.1
69.07063	3.6
69.74189	3.4
71.04992	0.8
79.05500	11.0
81.03423	100.0
81.07063	14.1
83.04993	5.4
83.08624	14.3
91.05487	19.1
93.07050	7.9
95.04969	20.3
95.08616	5.9
97.02895	2.0
97.06519	0.7
97.10162	1.8
105.07036	14.6
107.04968	4.4
107.08615	3.8
109.06530	2.3
109.10160	1.7
111.04422	0.9
111.08076	5.9
115.05492	1.0
116.06367	0.7
117.07038	1.6
119.04959	0.7
119.08586	11.9
121.06515	2.0
121.10171	3.9
123.08075	1.5
125.05963	0.8
125.09637	0.8
129.07016	8.8
131.08597	8.2
133.06470	2.1
133.10132	4.5
134.11922	0.7
137.09579	1.2
142.07777	2.8
145.10115	2.1
147.08044	2.9
147.11705	7.5
149.09654	3.6
157.10149	9.9
163.11246	1.1
165.12782	1.9
175.11195	8.0
183.11603	0.9
193.12270	19.0
211.13234	1.7
224.84369	0.7
249.14853	2.0
267.15933	41.6
267.20975	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	267.1592
Annotation	Heliannuol L
Peak:m/z	Relative Intensity
55.05497	22.2
55.98146	4.5
57.03420	7.7
59.05001	4.2
67.05494	21.8
68.99799	4.6
69.03435	23.3
69.07059	14.8
70.22179	13.2
71.05001	57.0
79.05489	37.2
81.03416	36.5
81.07059	46.1
82.82577	4.5
83.04977	13.9
83.08643	11.9
85.02901	8.7
85.06523	4.7
91.05486	59.2
91.57020	4.7
93.07057	48.3
95.04970	20.6
95.08610	32.0
97.06535	12.2
99.04449	19.6
99.08057	10.5
105.03350	5.7
105.07042	58.8
107.04946	15.0
107.08594	56.2
109.06504	31.4
109.10145	16.7
111.04446	7.8
111.08099	35.3
115.05499	7.7
117.07006	22.0
119.04863	5.7
119.08578	32.8
121.06523	35.6
121.10152	18.9
123.04410	6.0
123.08042	15.6
123.11704	28.5
125.06038	10.8
125.09634	11.7
127.07526	6.0
127.11198	18.4
129.06995	10.9
131.08562	23.3
133.06447	7.3
133.10139	68.2
135.04414	9.6
135.08051	62.2
135.11681	17.7
137.05991	47.7
137.09612	8.2
139.07558	39.6
143.08595	8.2
145.06491	11.0
145.10104	21.6
146.07233	13.4
147.04359	11.2
147.08049	18.0
147.11664	12.4
149.05939	5.8
149.09625	15.9
151.07527	19.5
151.11208	11.2
157.10054	10.3
159.08058	7.5
159.11649	11.6
161.09625	100.0
161.13266	9.4
162.06752	19.7
163.07553	55.4
163.11124	13.9
165.05461	30.4
165.09088	6.1
169.12285	11.3
175.11195	14.3
175.14771	12.9
177.09102	25.4
177.12804	9.0
181.08609	21.2
185.13290	9.6
189.09074	8.5
189.12747	9.2
190.06288	7.4
191.10585	7.4
193.12137	5.8
195.06551	9.1
197.11707	4.7
203.14326	24.0
205.08611	10.9
207.06534	19.6
207.13818	8.8
213.12823	12.1
219.13855	29.0
221.11768	9.0
221.15361	13.8
223.13364	13.7
231.10330	9.2
231.13818	45.5
249.11244	55.3
249.14847	33.8
267.12247	56.7
267.15891	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	267.1592
Annotation	(+)-5(6)-Dihydro-6-hydroxyterrecyclic acid A
Peak:m/z	Relative Intensity
50.47157	3.8
55.01884	5.7
55.05499	4.5
67.05498	8.2
67.76656	4.1
69.03429	8.5
69.07085	7.2
70.70899	5.9
70.71242	9.2
75.64325	3.8
79.05485	16.9
81.07056	19.0
90.88618	4.2
91.05479	14.2
93.07069	14.1
95.08577	10.6
97.06513	8.5
105.07031	30.5
107.08617	35.4
109.06543	9.1
109.10152	9.5
111.48952	4.8
117.07019	6.3
119.08586	33.9
121.10162	7.6
123.08069	10.9
131.08585	10.8
133.10147	26.9
135.08058	10.9
142.07814	9.0
143.08548	12.0
145.10120	9.9
147.08029	10.5
147.11699	18.6
151.07523	4.9
155.08508	6.0
157.09003	5.4
157.10101	24.6
161.09616	16.2
161.13306	5.6
166.49889	5.3
175.11174	24.8
175.14748	21.6
183.01546	5.3
185.13229	14.2
189.09167	6.7
203.14386	51.5
207.31058	4.2
213.12738	6.9
218.41492	4.6
221.15282	24.8
231.13789	57.5
249.14864	100.0
255.38289	5.0
267.15942	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Curvularol
Peak:m/z	Relative Intensity
53.03956	10.1
55.01873	8.7
55.05267	2.6
55.05512	29.6
57.03441	32.4
59.04997	1.7
65.03938	7.1
67.05506	77.5
69.03420	4.0
69.07079	21.5
71.04987	7.1
71.11852	3.3
74.12135	1.5
77.03925	3.4
77.82150	1.4
79.05496	79.2
81.03419	31.2
81.07060	80.2
83.04984	42.3
83.08623	9.0
85.02914	2.5
85.06542	6.1
87.04443	4.8
91.05483	100.0
93.07047	54.1
95.04971	21.1
95.08606	34.7
96.08961	1.8
97.02889	3.3
97.06521	7.8
97.10175	2.2
99.08075	2.2
101.06019	2.6
102.21092	1.5
105.03413	1.4
105.04507	1.7
105.07037	57.5
105.39658	1.4
107.04961	19.1
107.08600	25.5
109.06514	11.1
109.10153	13.3
111.08075	5.8
113.05983	3.5
115.03948	4.4
115.05435	3.0
115.27991	1.6
117.07006	4.0
117.88245	1.7
119.08591	35.5
120.08131	1.5
121.06483	1.9
121.10120	9.9
123.08059	3.4
123.11691	6.9
127.07525	3.9
128.06253	3.6
129.07002	21.0
131.08578	20.0
133.06503	4.2
133.10133	51.6
135.08069	6.4
135.11728	3.3
137.09608	3.4
137.13235	2.9
142.07753	5.0
143.08559	2.3
145.10136	5.1
147.08034	5.4
147.11687	28.4
149.09605	6.2
151.07539	3.3
157.10138	23.5
161.09639	1.5
163.11232	5.0
165.12773	3.2
169.10063	2.5
171.11826	2.0
175.11200	22.1
183.11891	2.1
185.13263	1.8
193.12259	9.9
208.22623	1.8
211.14850	2.1
214.52711	1.9
267.15921	36.2
267.21036	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	267.1594
Annotation	Ivalbin
Peak:m/z	Relative Intensity
52.58972	1.7
67.05489	3.1
71.05674	3.7
79.05489	2.7
81.03393	2.4
81.07076	3.0
83.01339	2.7
93.07063	2.5
95.08617	3.8
97.02909	1.8
105.07067	3.3
107.08562	3.6
121.06535	10.3
123.08063	2.5
135.08063	5.1
136.06200	4.1
137.04991	1.9
137.05911	11.6
145.10107	2.6
151.07544	14.4
152.07910	12.3
161.06000	2.1
163.07524	7.8
163.11205	7.8
164.08195	1.9
173.09682	2.6
175.07542	5.4
176.08214	5.6
177.09256	2.4
189.09102	4.5
191.10678	100.0
192.11050	4.3
231.13594	5.8
267.16220	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	267.1594
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03933	5.0
55.01870	2.4
55.05512	12.0
57.03448	22.5
57.07075	1.4
67.05515	16.7
69.03442	6.4
69.07060	5.8
69.32712	4.2
69.33124	6.4
71.05009	7.4
79.05501	18.7
81.03426	100.0
81.07068	25.2
83.04994	8.5
83.08628	16.8
85.02908	2.6
91.05488	24.2
92.12847	1.4
93.07050	14.2
95.04977	24.7
95.08608	13.1
97.02895	2.0
97.06530	4.1
97.10216	2.0
99.08085	1.6
105.07045	26.0
107.04954	4.8
107.08606	11.0
107.16570	1.2
109.06525	7.4
109.10200	10.3
111.04432	2.7
111.08090	9.6
113.02376	1.4
115.05427	1.6
117.07020	3.3
119.08593	17.4
121.06503	6.0
121.10160	8.2
123.08066	3.1
123.11705	3.7
127.07551	1.4
127.11203	2.4
129.07025	9.1
131.08533	9.3
133.06502	2.4
133.10141	11.1
135.08060	8.1
137.05983	6.5
137.09654	3.1
139.07520	5.0
142.07773	2.3
143.08611	3.4
144.59273	1.3
145.10132	3.6
147.08038	2.9
147.11743	11.5
149.09564	4.8
151.07527	3.0
151.11215	2.6
157.10117	11.8
159.08212	1.9
159.11775	2.0
161.09685	10.8
161.13261	1.6
163.07555	4.8
165.12753	3.0
169.10167	1.4
175.11208	9.4
177.09103	2.0
179.10696	2.8
187.11163	1.4
189.09058	1.4
192.41776	1.5
193.12288	17.5
203.14262	2.2
211.13300	3.5
213.12889	1.5
220.16299	1.5
221.15414	2.3
223.13319	1.4
231.10194	2.9
231.13683	3.7
235.07559	1.5
249.14864	7.3
267.10062	5.2
267.15912	46.2
267.20285	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	267.1594
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
50.94708	0.7
51.63133	0.7
53.03955	4.2
54.75134	0.6
55.01873	2.2
55.05512	7.5
57.03442	18.7
61.86443	0.7
65.03922	0.8
67.05508	13.2
69.03439	2.1
69.07069	4.4
69.26679	6.7
70.87635	0.6
71.05000	1.6
71.08620	0.7
79.05494	12.5
81.03423	100.0
81.07059	11.4
81.39826	0.7
83.04988	5.7
83.08627	15.0
84.37384	0.7
84.81920	0.7
91.05491	18.9
93.07048	9.4
95.04975	20.4
95.08617	6.1
97.02892	1.3
97.06550	1.6
97.10175	1.9
98.20814	1.4
105.07037	13.2
107.04952	4.4
107.08589	5.0
109.06516	3.5
109.10157	2.2
111.04438	1.7
111.08086	5.7
117.07007	1.8
119.04962	1.6
119.08585	10.3
121.06492	1.8
121.10167	4.5
123.08080	1.8
128.06186	0.8
129.07021	8.8
131.08577	8.2
133.06503	2.7
133.10132	5.1
135.11734	0.7
137.09669	1.5
142.07776	2.0
143.71408	0.7
145.10109	2.5
145.35236	0.9
147.08054	2.3
147.11681	7.3
149.09665	3.7
155.08617	1.2
157.10147	10.7
157.53717	0.8
159.11723	0.8
163.11198	1.2
165.12753	2.0
169.10141	0.9
171.11728	1.1
175.11177	7.9
183.11668	1.8
193.12254	18.2
197.13277	0.7
205.12244	1.4
211.13342	2.1
211.15012	1.1
225.16516	1.1
231.13950	0.9
239.14209	0.7
249.14774	1.2
267.15930	41.4
267.20834	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	267.1593
Annotation	Heliannuol L
Peak:m/z	Relative Intensity
53.03937	6.5
55.01860	4.0
55.05516	19.4
56.69320	2.4
56.96574	3.0
57.03423	9.4
57.07058	5.2
67.05507	45.3
69.03433	22.0
69.07070	22.0
71.04991	36.6
71.50922	3.7
79.05057	3.6
79.05495	32.6
81.03424	23.7
81.07063	55.2
83.01300	4.4
83.04975	11.5
83.08625	13.4
85.02885	7.5
85.06528	6.8
87.04465	6.8
91.05482	35.4
93.07053	34.8
95.04974	20.2
95.08620	28.0
97.06509	13.7
99.04466	3.9
105.03368	7.6
105.07034	37.9
107.04944	7.8
107.08601	55.5
109.06509	13.6
109.10161	29.0
111.04501	3.9
111.08096	8.0
115.03945	4.2
117.07006	15.0
119.08595	29.8
121.06536	15.1
121.10164	19.9
123.04419	6.3
123.08072	9.4
123.11703	11.8
125.06001	15.8
125.09644	18.8
127.11198	40.3
128.06184	4.6
129.06984	11.2
129.07797	2.9
131.08617	13.7
133.06494	3.3
133.10129	31.6
135.04430	5.3
135.08063	41.1
135.11697	11.4
136.06165	2.9
137.05983	19.4
137.09613	12.2
137.13309	3.5
139.07527	18.4
141.05499	5.6
142.07767	3.7
143.08510	14.5
145.06470	5.5
145.10112	12.1
147.08057	7.3
147.11681	16.7
149.05940	3.1
149.09612	9.2
151.07559	13.5
151.11093	4.1
153.05452	5.3
153.09099	8.0
155.08603	9.7
157.10152	14.7
159.08061	4.8
159.11656	7.9
161.05917	2.8
161.09654	31.2
161.13226	4.6
163.06267	5.0
163.07539	43.0
163.11200	3.5
165.09106	3.4
165.12735	4.4
167.07024	8.3
169.10126	6.0
171.11674	11.7
173.09537	4.0
173.13298	4.6
174.06770	3.8
175.07562	38.8
175.11124	6.2
175.14830	3.1
177.09134	11.7
179.10640	14.3
181.08603	10.2
181.09988	3.3
183.11696	8.8
185.13309	7.3
189.09117	19.7
189.12788	6.5
189.16428	5.7
193.08551	3.3
193.12291	5.0
197.13284	4.9
199.14748	4.1
203.14381	16.1
207.13821	3.1
209.13200	3.9
211.11250	3.2
211.14893	6.3
213.12737	3.2
221.15340	13.4
225.16418	4.2
231.13835	35.3
236.19519	3.0
249.14847	38.2
249.18573	4.2
267.06598	3.8
267.10056	8.5
267.13828	6.3
267.15939	100.0
267.21124	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	267.1593
Annotation	Connatusin B
Peak:m/z	Relative Intensity
53.03939	4.3
55.01864	6.1
55.05516	12.5
57.03424	3.5
57.07079	3.0
59.32491	2.3
64.15638	2.0
67.05506	22.1
68.99771	6.3
69.03418	4.9
69.07059	11.4
70.54482	5.9
71.04990	3.7
79.05499	30.2
81.03431	9.8
81.06590	4.1
81.07059	73.1
83.04988	5.3
83.08624	5.7
85.06544	5.2
91.05479	29.8
93.07050	48.8
95.04986	8.9
95.08610	37.3
97.06544	12.9
97.10189	2.3
99.04440	2.9
99.08085	2.7
105.07036	61.3
107.04932	4.3
107.08597	36.1
109.06522	36.5
109.10137	11.8
111.08090	4.5
115.07558	3.7
117.06982	9.6
119.08595	43.0
121.06498	22.0
121.10152	10.7
123.08079	17.4
123.11693	5.6
125.06000	8.1
127.07548	11.8
128.06224	4.4
129.07011	8.3
131.08565	20.9
133.06485	5.9
133.10133	24.2
135.08037	12.0
135.11719	6.7
137.05986	7.1
137.09634	3.1
137.13252	3.5
139.07542	8.0
141.07011	3.4
141.94072	1.8
142.07780	7.4
143.08568	20.2
145.10129	23.8
147.08060	7.3
147.11690	78.7
149.09660	2.7
149.13205	4.2
151.07513	2.5
155.07428	2.0
155.08508	11.1
156.09340	5.5
157.10123	29.1
157.69249	1.9
159.08012	3.0
159.11708	12.3
161.06003	4.7
161.09688	2.6
161.13295	16.4
163.07518	9.3
165.12766	45.4
167.08606	2.8
169.10135	12.2
171.11679	30.8
173.09654	3.0
173.13287	9.0
175.07506	2.8
175.11195	54.3
179.14183	2.7
181.10146	4.2
182.10890	3.0
183.11714	10.3
185.13257	10.4
187.14799	2.4
189.12741	35.9
193.10426	3.0
193.12242	52.9
197.13260	13.1
199.11183	9.1
199.14803	4.7
207.13847	23.3
211.14839	18.8
217.12247	43.5
225.16449	5.5
231.13655	3.2
235.13316	34.1
239.18005	3.5
249.14912	12.9
267.10553	1.9
267.16177	16.9
267.21100	100.0
277.07501	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	267.1229
Annotation	Lachnumlactone A
Peak:m/z	Relative Intensity
51.02417	0.8
53.03949	1.8
55.01870	2.1
55.05500	2.2
57.03434	1.5
67.05502	5.2
68.37840	0.9
69.03432	3.3
69.07069	2.5
69.88051	2.7
69.88439	1.3
70.06631	0.9
71.05002	5.9
73.35574	0.8
79.05499	7.5
81.03441	4.6
81.07043	4.4
81.55027	0.9
83.01330	1.1
83.04955	1.4
83.08652	1.0
85.02898	2.3
91.04958	1.7
91.05477	13.3
92.24095	0.8
93.07027	6.9
95.04964	3.3
95.08604	3.4
97.02906	1.0
97.06535	2.3
97.10191	1.2
103.05476	1.6
105.07047	8.1
107.04954	4.1
107.08600	10.9
109.06511	5.9
109.10162	2.0
111.04478	1.0
111.08101	1.1
115.05494	1.5
115.07566	1.4
115.96857	0.9
117.07068	5.0
119.04972	1.3
119.08585	5.6
120.08115	1.5
121.06513	14.7
121.10123	1.4
121.69810	0.9
123.04404	1.8
123.08060	1.1
125.05986	2.3
125.09634	1.7
127.11198	1.9
128.06258	1.9
129.06990	2.3
130.07843	1.1
131.04897	3.4
131.08571	2.9
133.06459	2.2
133.10133	3.8
135.04419	2.6
135.08072	7.5
135.11682	1.5
137.05983	20.1
137.09599	1.3
139.03944	1.4
139.07550	2.3
142.07828	1.0
143.08560	2.1
144.05713	3.4
145.06482	6.1
145.10095	2.7
146.07275	17.3
147.04427	9.6
147.08064	4.5
147.11702	3.4
148.05176	2.0
149.05960	2.9
149.09625	16.5
151.03897	2.3
151.07542	6.7
152.07924	3.0
155.08461	0.8
156.36528	1.0
157.10088	1.6
159.08055	5.2
159.11813	1.2
161.05965	3.5
161.09619	7.7
161.13255	1.1
162.03139	1.3
162.06770	32.4
163.03932	2.4
163.07558	15.5
163.11244	1.7
165.05489	5.9
165.09026	2.0
168.04227	1.0
171.11699	1.0
172.08809	1.6
172.57411	0.8
173.06004	2.2
173.09641	1.5
174.06787	2.0
175.03920	1.4
175.07474	4.2
175.11212	4.2
176.08102	1.0
177.05478	2.6
177.09113	32.9
178.95619	0.8
179.06909	1.8
180.07907	1.1
181.08607	29.5
185.13213	1.2
187.07593	1.1
188.08299	3.2
189.05505	1.3
189.09091	5.0
190.06255	16.6
191.07030	4.4
191.10718	8.2
192.04135	4.5
193.05011	1.6
193.08601	2.0
193.12265	1.6
195.06523	12.5
195.10211	1.1
200.81812	0.9
202.09808	1.2
203.10689	4.6
203.14334	2.8
205.08633	15.8
205.12103	1.0
207.04575	1.8
207.06546	30.2
207.08420	2.0
208.07257	1.2
216.07951	1.6
219.06483	4.7
221.08147	2.5
221.11752	20.1
225.07602	2.1
231.10197	11.0
231.13762	6.8
246.46567	1.1
249.11232	66.8
249.14809	3.3
267.12311	100.0
267.15619	5.1
268.09894	1.1
268.12723	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23318	0.6
53.03930	0.7
53.32603	0.7
55.01860	1.1
55.05498	1.0
55.06312	0.7
57.03427	3.1
58.11924	0.6
67.05492	2.6
67.25477	0.7
69.03425	1.2
69.07066	1.7
69.24834	0.7
69.65340	4.6
70.06592	1.3
71.04993	2.2
79.05496	5.8
81.03429	7.2
81.07041	2.9
83.04981	1.8
83.08611	1.1
85.02892	1.1
85.06525	1.1
86.38152	0.8
89.03927	1.1
91.05475	4.0
93.07052	3.6
95.04973	3.1
95.08598	2.3
97.06535	1.6
99.04478	1.2
103.05464	5.6
105.07034	23.2
107.04959	3.0
107.08604	3.9
109.06516	2.2
110.07908	0.7
111.08069	1.2
115.05446	4.2
117.07017	1.6
118.04147	6.7
119.04853	0.7
119.08572	3.5
120.08161	1.0
121.06474	1.8
123.08065	2.4
125.05980	1.1
125.09628	1.4
129.07037	1.9
131.04915	5.8
131.08557	1.4
132.05713	8.8
133.06496	17.2
133.10161	1.6
135.04414	1.8
135.08067	3.4
136.57785	0.8
137.06004	1.1
143.06013	1.5
143.08600	1.6
145.06528	1.1
145.10136	1.3
146.03633	33.3
147.08076	1.5
147.11699	1.3
148.05173	1.6
149.09610	1.3
151.07504	2.8
152.05666	1.1
157.10117	1.7
160.05267	3.8
161.05995	33.5
161.09650	1.6
163.03918	8.6
163.07567	3.7
163.11197	0.9
165.09138	1.1
168.06555	2.6
169.06885	3.0
173.05930	0.8
175.03806	0.7
175.07568	2.1
175.11182	1.0
177.05444	1.0
178.06256	100.0
179.06667	1.4
185.13261	1.0
185.87730	0.7
187.07494	1.0
189.09149	1.0
190.06267	4.7
191.07057	9.7
191.10674	2.0
192.07854	4.1
193.08609	37.9
203.10654	1.5
203.14374	0.8
205.08586	1.2
206.08176	0.7
211.09708	1.4
219.10173	1.8
221.15344	1.7
227.56017	0.7
231.10277	1.4
231.13791	2.2
249.10979	1.0
249.14890	2.2
267.09686	1.3
267.16293	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
56.96563	1.2
57.03448	0.9
61.01152	0.8
61.02929	0.8
69.03426	1.7
70.06599	1.0
70.71772	1.1
71.04997	0.4
72.08136	0.4
73.02917	1.1
81.03419	0.8
81.04544	1.5
82.99831	0.7
84.04523	0.6
84.08117	0.9
85.02907	2.8
86.09692	0.7
97.02887	1.6
98.97591	2.8
100.99177	0.4
101.00889	7.4
102.00965	0.6
103.00642	1.3
104.10738	1.3
109.02906	0.5
112.99074	0.5
113.00829	0.4
116.63566	0.4
116.98658	0.8
118.01156	0.4
118.08694	0.5
119.01929	10.6
119.04935	0.4
120.02013	0.9
121.01661	2.3
122.01972	0.5
122.07152	9.3
123.07534	7.1
126.46889	0.4
127.03919	1.1
128.02405	0.5
128.98590	0.5
131.01906	1.3
131.57397	0.4
133.01682	0.9
134.03529	0.6
134.99893	1.0
136.06209	0.7
137.02968	1.6
140.98853	1.7
143.00146	0.6
143.01917	1.5
144.04788	2.3
145.01665	1.7
145.03467	0.8
145.05127	2.2
146.02086	1.2
147.03229	0.4
147.04352	0.5
155.01920	0.8
157.03432	0.7
158.99899	4.6
161.02977	1.3
162.03114	1.4
163.02687	2.6
164.00404	1.3
164.03027	3.0
173.02989	1.3
175.02818	0.7
175.04393	0.4
176.03195	1.2
177.00967	19.2
178.01010	0.5
182.99948	1.0
185.02733	0.4
185.04106	0.5
185.05618	0.5
188.03152	0.7
189.00668	0.5
193.03940	0.4
199.03001	0.9
201.00909	4.5
201.02562	0.7
206.01534	0.9
206.04132	1.4
207.01770	1.0
217.04099	3.2
219.02016	23.5
220.02214	0.8
221.05049	0.7
222.00720	0.5
224.02423	0.8
225.00824	2.1
234.00929	0.4
243.01990	13.4
243.04298	0.7
249.02776	0.5
261.03085	100.0
262.03220	3.2
263.03656	0.5
266.03549	3.2
266.06326	3.2
266.08890	0.6
266.11807	0.8
266.15982	0.7
284.04691	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	265.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.05515	3.6
57.07090	0.5
64.66557	0.4
65.03941	0.5
67.05180	0.6
67.05512	7.2
69.07063	2.1
69.83829	2.4
71.04990	0.6
79.05075	0.6
79.05502	7.3
81.07063	13.3
81.75901	0.4
83.04974	0.5
83.08616	1.3
85.06544	0.8
89.49064	0.4
91.05486	7.7
93.07053	9.9
95.04977	1.0
95.08613	9.1
103.05478	0.5
105.07040	18.0
107.04993	0.6
107.08601	6.7
109.06513	0.7
109.10181	3.7
110.99231	0.5
111.04426	0.7
115.05455	0.8
116.06261	0.6
117.07013	3.7
119.08594	8.2
121.06519	0.9
121.10149	4.5
122.07191	2.6
123.04372	0.5
123.11677	0.6
126.80471	0.5
128.06224	1.9
129.07022	4.8
130.07796	0.9
131.08582	10.3
133.10149	4.0
135.08035	0.6
135.11697	1.4
137.05957	0.6
139.03929	1.1
141.07001	4.0
141.08044	0.6
142.07806	2.8
143.08568	10.8
144.04784	0.8
144.09250	0.5
145.10133	8.1
145.11166	0.7
147.11705	2.7
149.09637	0.7
151.03906	0.9
152.06252	0.9
153.07021	2.1
154.07828	2.0
155.07266	0.6
155.08560	12.5
156.09320	2.0
157.08952	0.9
157.10147	10.3
158.71085	0.5
159.11726	4.2
163.07555	1.1
165.07002	3.7
166.07797	2.3
167.08582	7.3
168.09384	3.3
169.10155	13.0
171.11700	10.1
173.13297	2.8
179.07072	0.9
179.08546	5.0
180.09412	4.5
181.10126	14.6
182.10899	2.4
183.11714	14.4
184.12369	0.5
185.13281	4.7
187.11182	0.4
191.07018	0.6
191.10539	0.6
193.10104	2.9
194.10924	4.7
195.09920	1.0
195.11711	20.2
196.12381	1.4
197.13277	7.6
199.14882	0.7
205.08588	1.0
205.12184	0.5
207.11736	2.4
208.12494	2.1
209.13269	27.9
210.13953	1.9
217.12309	0.5
221.13245	2.8
222.14061	1.4
223.14827	14.9
224.15659	0.7
235.14804	1.6
236.15594	1.6
237.16383	6.8
247.13377	1.1
250.17203	2.3
265.19553	100.0
266.19962	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	265.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25642	0.4
53.03938	0.9
55.05513	4.4
57.07088	0.6
65.03934	0.9
66.60772	0.5
67.05514	6.8
69.07068	2.8
71.09018	1.0
75.83439	0.5
76.55156	0.5
79.05494	8.1
81.07061	11.5
83.04964	0.6
83.08607	1.9
85.06528	1.4
91.05482	8.8
93.07051	11.2
95.04972	1.1
95.08616	8.8
97.10141	0.6
105.07035	18.1
107.04980	0.8
107.08594	5.7
109.06541	0.6
109.10180	3.1
111.04379	0.5
115.05479	1.4
117.07018	3.7
119.08590	6.8
121.06534	0.9
121.10150	4.2
122.07170	5.2
123.11647	0.8
128.06229	3.1
129.07031	5.3
130.07787	1.0
131.08572	10.1
133.10123	3.8
135.08084	0.9
135.11703	1.6
137.05977	0.9
139.03862	1.3
141.06996	4.0
142.07785	4.5
143.08578	10.0
144.04770	1.4
144.09363	0.8
145.10123	9.3
147.11685	2.3
151.03845	0.9
151.07567	1.3
153.07019	3.4
154.07782	2.2
155.07281	0.7
155.08556	14.2
156.09323	2.7
157.10139	11.8
159.08095	1.1
159.11688	4.8
161.09665	0.7
163.07535	1.2
165.06993	5.1
166.07816	2.8
167.07251	1.0
167.08574	7.7
168.09343	3.0
169.10141	12.9
169.11578	0.7
171.11694	9.4
173.13312	3.3
177.09181	1.2
179.07095	1.0
179.08530	5.9
180.09344	4.2
181.10132	16.6
182.10931	2.5
183.11707	14.1
184.12456	0.6
185.13234	5.0
191.53806	0.5
193.10201	3.2
194.10950	5.7
195.11696	20.6
196.12454	1.1
197.13261	8.8
205.08643	2.0
206.72314	0.5
207.11713	3.8
208.12456	2.4
209.08089	0.9
209.13264	23.5
210.13950	1.8
211.14806	1.2
219.13800	0.8
221.13246	2.6
222.14018	2.3
223.14841	15.9
224.15636	0.7
235.14856	2.0
236.15620	2.5
237.16391	5.6
247.13264	1.4
249.16287	0.6
250.17207	1.6
257.98929	0.6
265.19540	100.0
266.19913	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1548
Annotation	H-VAL-PHE-OH
Peak:m/z	Relative Intensity
51.07270	0.4
53.03935	0.7
55.05515	12.7
56.05022	0.8
57.05817	1.6
59.04998	2.1
67.05499	0.9
69.03426	0.7
70.06583	0.5
71.08061	0.5
71.08421	0.7
72.08157	100.0
79.05523	0.8
81.04563	0.8
81.07053	0.8
83.04969	0.6
84.08157	0.5
85.02906	0.7
85.06538	0.7
86.09727	0.5
91.05495	1.4
93.07063	1.1
97.06541	0.5
105.07065	0.9
107.05009	0.5
107.08639	1.4
108.41934	0.4
109.06522	0.6
115.05479	0.7
117.07051	1.2
119.06855	0.5
119.08614	1.2
120.08112	12.2
121.06526	1.2
121.10175	0.5
122.07143	4.0
123.08044	0.8
131.04970	0.7
131.08563	1.1
134.09645	0.6
135.08061	5.3
135.09984	0.8
137.05995	2.9
143.08719	0.6
144.04744	0.9
145.06517	0.8
145.10147	0.8
151.07571	0.9
159.08116	0.6
161.05988	1.0
161.09714	0.9
163.07547	15.7
163.46233	0.5
166.08655	11.0
173.09668	0.8
175.07536	2.2
191.10719	0.5
201.12827	0.8
217.12347	0.8
219.13721	0.6
229.12311	1.9
247.11021	0.5
247.13426	1.9
251.34531	0.4
265.08820	0.9
265.12460	0.9
265.15396	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	265.1437
Annotation	Heliannuol F
Peak:m/z	Relative Intensity
55.01874	3.2
55.05495	10.8
57.03440	3.3
57.07058	3.8
59.04999	3.7
65.03925	2.8
67.05519	22.8
69.03423	8.5
69.07079	12.0
69.21285	2.3
71.05000	21.1
71.39487	4.2
79.05507	21.3
81.04538	2.7
81.07064	26.1
82.21166	2.2
83.01353	11.3
83.04974	8.2
83.08641	3.3
83.87044	2.1
85.02533	2.4
85.02915	30.0
85.06534	9.1
87.61938	2.4
91.05495	24.8
93.07036	21.7
95.04961	9.2
95.08611	21.4
97.06519	8.2
99.04442	7.2
99.08132	2.2
105.07043	38.4
107.04926	5.2
107.08617	42.9
109.06525	18.8
109.10184	11.8
111.04432	5.7
113.06003	7.4
116.06175	2.9
117.07014	8.5
119.04903	4.8
119.06097	2.3
119.08573	13.5
121.06493	9.1
121.10174	12.3
122.07142	21.5
123.04430	9.5
123.08075	36.3
125.05981	7.6
125.09644	30.9
127.03915	4.1
128.06181	3.6
129.06955	4.6
131.08569	14.0
133.06520	13.7
133.10143	8.7
135.08047	9.4
135.11659	9.8
137.05981	16.1
137.09601	8.9
139.03908	14.3
139.07526	2.9
141.05391	4.7
143.08588	5.1
144.04785	4.6
145.10162	15.6
145.50528	2.6
147.08049	7.9
149.05974	4.3
149.09668	22.1
151.03931	2.3
151.07553	70.4
153.05435	8.8
153.09120	3.9
153.12750	5.0
155.06989	2.9
155.08624	3.5
156.11560	2.3
157.10138	4.0
159.08040	8.5
159.11644	11.1
161.06015	23.4
161.09610	6.9
163.07507	7.1
163.11180	5.7
165.05478	5.4
165.07179	2.2
165.09119	7.8
167.07059	3.8
167.10693	8.6
169.10168	5.6
171.11674	3.7
173.09604	5.8
173.13205	4.7
175.07539	16.3
175.11261	2.3
177.05611	2.4
177.09134	16.6
177.12802	4.6
178.06091	2.2
179.07057	90.2
181.10098	6.9
183.11693	5.7
187.11212	10.2
189.09155	5.3
191.07024	10.4
191.10724	3.7
193.08600	4.2
194.10849	3.0
195.11751	6.1
195.13600	3.7
201.12758	7.4
204.07771	3.1
204.11548	2.5
205.08563	5.8
205.12311	11.9
207.10110	4.8
207.11838	3.0
209.07971	3.1
209.13251	8.6
219.10239	4.4
219.13838	30.0
223.12990	2.8
223.14955	5.6
229.12177	9.3
237.14803	33.8
247.13312	35.5
265.12057	3.9
265.14349	100.0
265.19595	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	265.1438
Annotation	Zedoarofuran
Peak:m/z	Relative Intensity
55.05519	4.0
59.04760	0.8
59.05009	11.2
69.03432	0.9
70.55530	1.2
70.55876	1.3
72.08163	30.8
79.05486	1.5
81.07051	0.7
87.04473	2.5
89.15764	0.5
91.05493	3.3
93.07046	0.7
94.94883	0.6
95.05029	0.7
95.08597	0.8
98.73623	0.6
105.07034	2.3
107.04955	1.5
107.08594	4.4
109.06557	0.9
115.05476	1.8
117.07028	5.9
119.08575	1.3
120.08100	5.1
121.06491	1.3
122.07158	2.2
123.04486	0.8
123.08057	1.8
130.69531	0.7
131.08623	1.2
133.06508	0.9
135.08066	31.1
137.05998	5.9
141.09155	0.6
144.04787	0.9
145.06491	3.9
151.07602	1.1
159.08058	1.4
160.05284	0.7
161.05994	1.4
161.09651	0.6
163.07558	100.0
164.07819	1.6
166.08749	2.7
168.27441	0.6
173.09645	0.7
175.07555	11.4
179.10664	0.8
187.07550	1.4
187.81302	0.6
188.08289	0.8
189.09111	2.3
193.17686	0.6
199.07552	0.6
201.12773	1.6
206.32156	0.6
214.09877	1.6
216.11566	0.9
217.12309	1.5
229.12244	9.0
242.10944	0.6
247.13310	8.0
265.14661	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1437
Annotation	Orthochromene A
Peak:m/z	Relative Intensity
50.05471	0.8
53.03949	1.3
55.01866	1.2
55.05519	15.8
57.03446	6.1
57.07063	0.9
57.37525	0.9
59.04992	3.3
65.03931	2.1
67.05193	1.0
67.05515	15.9
68.99785	1.8
69.03429	5.9
69.07083	4.6
69.24290	4.4
69.24725	3.5
71.05002	8.6
79.05505	8.6
81.04547	0.9
81.06657	1.1
81.07072	13.7
83.04974	2.8
83.08612	1.6
85.02901	1.1
85.06541	2.2
91.05504	6.3
93.07027	2.7
95.04974	3.0
95.08608	8.4
97.06567	2.0
97.10182	6.9
105.03388	1.2
105.07052	5.7
107.04951	2.6
107.08610	15.6
109.06528	4.2
109.10163	19.9
111.03720	1.7
111.04452	30.8
111.08088	1.1
117.07025	1.6
119.04926	1.1
119.08595	1.8
121.06493	4.0
122.07154	3.9
123.04443	14.2
123.08053	1.6
123.68000	1.0
124.05182	2.5
125.06030	6.0
125.08769	1.9
125.09642	23.3
128.06212	1.5
129.06906	1.2
131.08585	2.0
132.15427	1.0
133.06509	4.3
133.10150	1.9
135.08057	3.6
137.05992	15.8
139.03917	100.0
139.66364	1.0
141.05469	3.5
143.08553	3.1
144.04849	1.0
145.06456	1.2
145.10127	1.5
147.08054	1.2
149.05975	1.9
149.09564	1.5
151.03914	33.3
151.07568	8.7
153.05467	12.4
153.09074	1.5
159.08054	1.4
159.11725	1.4
161.06047	5.5
161.09657	4.3
163.07530	5.5
165.05498	14.8
165.09135	1.7
167.07016	3.0
173.06067	1.0
173.09662	1.4
174.06694	2.3
175.07544	3.5
177.05450	1.9
177.09149	4.0
177.93707	1.0
178.06297	2.6
179.07053	16.3
179.10645	1.4
181.08560	3.0
183.06555	1.5
189.09126	11.6
191.07056	16.1
191.10634	1.4
193.08612	3.2
195.88448	1.1
205.08655	2.1
205.12207	1.3
205.51936	0.9
207.10155	11.6
209.08110	38.9
214.10002	1.1
217.12225	1.8
219.13927	1.0
229.12321	4.3
235.13280	2.5
247.13361	9.4
265.11801	1.8
265.14435	22.4
265.19482	3.5
271.48837	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1437
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03938	3.7
54.03502	2.0
55.01881	2.8
55.05505	6.6
59.05010	19.7
61.60681	1.9
66.92272	2.0
67.05513	11.0
69.03444	12.4
69.07029	2.2
70.08594	2.0
70.41597	5.8
70.41946	4.3
71.05018	2.5
72.08163	3.7
74.23462	2.1
79.05486	8.3
81.07042	7.9
83.04977	3.9
87.04460	4.3
87.74356	2.0
91.05486	24.9
93.03400	3.0
93.07058	17.4
95.04979	17.3
95.08593	6.8
99.04457	3.4
105.07047	30.8
107.04944	2.3
107.08609	11.1
109.06535	11.3
109.10149	3.1
111.04469	12.0
111.08046	4.5
113.05984	6.4
115.05447	4.6
115.65492	2.7
116.06199	2.9
116.33756	2.1
117.07005	11.7
119.07818	3.0
119.08599	38.3
120.08123	4.7
121.02877	5.1
121.06508	17.9
121.10144	5.5
122.07170	13.1
123.04427	5.7
123.08041	11.0
125.05974	2.7
128.06235	3.5
129.06993	7.9
130.07808	2.2
131.08585	20.0
133.06491	5.6
133.10114	6.5
135.08069	59.2
137.05974	13.2
137.09624	5.0
139.03909	4.2
139.07497	3.2
141.06970	3.6
141.12788	2.2
142.07750	5.0
143.08566	8.4
144.04784	3.8
144.09447	2.1
145.06506	8.9
145.10146	11.9
146.07265	3.2
147.08066	16.9
147.11722	5.5
149.09613	3.1
151.07558	5.0
153.07040	3.7
153.09158	2.7
155.08537	3.6
156.09363	4.6
157.10135	9.1
158.07315	10.5
159.08086	16.7
159.11717	19.8
160.08794	4.4
161.06004	4.9
161.09601	13.0
163.07564	100.0
165.09128	12.9
171.08040	3.6
171.11665	3.6
172.08847	7.0
173.09624	7.1
173.13303	5.0
174.06750	3.4
175.07559	41.5
175.11191	14.2
177.09152	5.3
179.10667	4.7
183.11716	5.9
185.09589	2.5
186.10349	3.5
187.11163	18.4
188.08304	2.4
189.09111	6.2
189.12804	5.6
193.08572	8.3
193.10136	2.5
196.08867	3.8
199.11186	4.8
201.12755	13.4
203.10721	15.7
205.12271	2.6
207.10188	2.9
211.11189	8.9
214.09933	3.9
217.12224	10.6
219.13930	3.3
229.12253	33.7
235.13344	3.0
247.13274	27.9
265.14285	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16877	1.3
52.17662	1.2
53.55585	1.3
55.05492	2.1
60.04528	98.3
67.05489	5.5
69.07059	7.5
79.05476	6.2
81.07059	42.1
81.34389	1.5
83.08589	2.3
91.05469	4.0
93.07047	32.9
95.08608	16.1
97.10189	2.7
98.20750	3.8
105.07023	4.0
107.08604	14.2
109.10146	13.0
119.08617	1.5
121.06555	1.6
121.10149	100.0
122.10489	1.5
123.11691	5.0
135.11671	10.3
149.13249	24.9
163.14836	2.8
205.19528	39.3
229.09454	1.7
238.35886	1.4
264.23203	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	264.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.2
55.05507	3.9
57.07069	1.8
58.48957	1.1
60.04530	85.8
67.05496	3.3
69.07069	7.6
71.52066	2.6
79.05505	7.9
81.07062	43.3
83.08611	2.4
89.12542	1.3
91.05492	2.0
92.34532	1.1
93.07051	29.9
95.08613	16.8
97.10191	1.6
105.07027	2.6
107.08594	16.7
109.10158	15.5
119.08584	1.6
121.10152	100.0
122.10519	1.1
123.11716	5.6
135.11702	10.5
143.10905	1.2
149.13272	29.8
160.95085	1.3
163.14844	2.5
205.19524	44.4
257.23163	1.2
264.14999	8.5
264.23230	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	265.1437
Annotation	Heliannuol F
Peak:m/z	Relative Intensity
55.01868	4.2
55.05515	21.9
57.03440	6.8
59.05001	5.7
67.05513	18.3
68.99796	3.6
69.03427	15.5
69.07066	9.0
70.61169	7.5
71.04998	16.4
72.08136	3.3
79.05493	21.3
81.03426	5.6
81.07061	25.6
83.04974	8.7
85.02908	4.6
85.06536	4.9
91.05471	21.2
93.07042	8.4
95.04963	8.7
95.08620	17.7
97.02895	4.4
97.06555	3.6
97.10173	4.3
103.05521	3.2
105.07041	22.4
107.04948	9.8
107.08600	44.1
109.02904	3.6
109.06504	7.5
109.10155	25.7
111.04450	27.1
115.03956	3.8
115.05469	3.0
117.07020	7.0
119.08575	8.6
121.02865	9.8
121.06520	12.3
121.10139	4.8
122.07163	10.7
123.04444	16.6
123.08098	6.4
124.05241	5.3
125.05977	9.3
125.09643	23.5
128.06276	3.7
129.07007	4.0
131.08559	9.6
133.06499	8.5
133.10129	8.0
135.08028	19.6
135.11655	3.5
137.05963	30.0
139.03915	100.0
141.05440	5.4
143.08549	4.7
145.06511	3.7
145.10115	6.6
146.07228	3.3
147.08055	5.6
147.11749	4.0
149.05968	5.7
149.09628	27.6
151.03923	39.1
151.07561	20.4
153.05496	14.3
159.07976	7.7
159.11685	6.4
161.05989	9.9
161.09660	10.4
163.07579	12.9
163.11183	3.0
165.05490	22.7
165.09102	4.9
167.07025	6.5
175.07553	9.8
177.09084	16.3
179.07091	23.1
187.07545	4.1
188.08345	2.9
189.09096	18.8
191.07019	21.1
193.08524	5.2
201.12729	4.9
205.08589	4.1
205.12262	5.7
207.10196	20.1
209.08095	35.8
219.10233	2.9
219.13695	5.0
229.12167	13.0
235.13335	2.9
247.09686	3.2
247.13275	23.2
248.05133	3.1
256.18341	3.0
265.08450	6.0
265.11047	5.9
265.14380	47.0
265.17468	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	264.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.7
57.07078	1.4
60.04531	82.6
67.05494	4.1
69.07064	8.8
70.90426	2.6
79.05511	7.3
81.07064	37.7
82.07375	1.4
83.08624	2.3
91.05484	3.5
92.05798	1.1
93.07048	29.7
95.08620	16.3
96.08972	1.6
97.10145	2.6
105.07035	3.6
107.08603	15.8
109.10172	12.6
121.10154	100.0
123.08089	1.3
123.11721	5.8
135.11717	7.7
137.13287	1.3
148.57693	1.2
149.13272	26.8
163.14828	1.4
184.45145	1.1
205.19534	44.5
228.74278	1.2
237.13544	1.1
246.12074	1.3
248.11865	1.5
254.69960	1.2
264.12662	1.8
264.15033	8.9
264.23242	11.0
265.14337	1.2
268.70950	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.8
56.96568	100.0
61.04172	0.7
67.05514	0.9
68.05026	0.8
69.03433	2.8
69.07088	0.8
69.60704	0.6
70.01412	0.7
70.06614	2.0
70.31566	2.4
71.95283	2.0
72.08160	2.0
72.96057	6.1
73.02899	0.9
74.97625	1.4
75.48254	0.6
81.04559	1.3
81.07040	0.8
83.97654	4.6
84.04515	4.4
84.08171	1.6
84.96042	1.1
85.02908	4.3
85.92024	0.7
87.58929	0.7
91.05485	1.1
93.07063	0.7
96.04508	1.1
97.02905	1.7
98.46166	0.8
98.97590	22.1
98.98203	1.4
101.00933	0.8
102.05586	1.1
110.09690	1.5
110.97655	1.0
112.99121	0.9
114.05547	3.0
116.98628	10.8
119.01954	0.8
120.02071	1.2
120.08138	1.3
122.07159	8.1
128.98637	1.2
130.05043	2.9
134.99663	3.5
138.09192	1.8
142.05017	2.7
143.00194	1.0
143.01938	1.2
144.02055	1.4
144.04849	1.7
144.06602	1.1
144.96906	1.9
146.99721	1.2
147.04486	1.3
149.02858	0.7
156.06581	1.4
156.10263	2.8
158.99623	1.6
161.03032	1.7
162.03123	2.2
163.00684	0.9
163.03990	1.5
163.96027	0.8
165.02306	2.3
167.03954	1.2
173.01364	0.8
174.03345	0.9
174.05449	1.4
176.03844	14.1
176.05222	1.1
177.00816	1.7
177.02255	1.0
178.05402	9.8
179.00090	1.1
181.01784	3.0
183.03320	8.4
184.09773	1.3
190.01794	1.8
191.02705	0.7
192.03377	2.1
194.04889	5.4
196.06485	5.2
197.01273	3.1
201.00787	1.2
201.04359	5.4
202.10742	12.7
204.03236	9.7
205.98178	0.7
208.02826	9.5
210.04488	1.5
219.01775	0.9
222.04393	82.5
223.04825	1.1
226.03836	4.1
240.05440	56.4
245.06039	2.2
260.33951	0.7
264.05432	17.3
277.53757	0.8
282.06796	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.10404	0.9
51.22105	0.9
53.03932	2.0
55.01872	1.2
55.05514	16.5
57.07078	12.8
61.97085	1.0
65.03931	4.4
67.05508	89.0
68.37090	1.0
69.07069	15.4
70.55556	3.5
71.04987	1.7
71.08647	8.0
79.05494	25.3
81.07059	100.0
83.05000	1.2
83.08617	12.5
85.06524	4.8
85.10172	4.1
87.89014	1.0
91.05485	19.5
93.07047	23.6
95.04951	1.8
95.08613	88.3
97.06526	7.5
97.10174	6.5
99.08091	6.7
105.07034	13.8
107.08592	13.2
109.06517	1.8
109.10161	43.2
111.08074	3.4
111.11708	2.1
113.09609	2.2
119.08585	14.5
121.10145	17.5
123.08083	2.6
123.11716	18.8
125.09647	1.7
133.09235	1.9
133.10138	16.4
135.11696	9.5
137.09619	1.8
137.13281	7.5
147.11690	9.7
149.13249	7.0
151.11166	1.3
151.14841	9.2
161.13257	11.5
163.14853	6.4
165.16402	8.0
175.14842	6.6
177.16377	2.0
179.17964	4.7
181.15884	1.4
181.94881	1.2
189.16385	3.8
217.19640	2.0
245.22647	31.8
262.10925	1.1
263.23724	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2008
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
55.01863	2.6
55.05510	7.3
57.07081	2.5
59.01773	1.9
67.05511	12.5
69.07068	5.7
70.65340	4.7
70.65834	2.3
79.05489	12.5
81.07059	41.4
83.08642	2.9
91.05492	10.5
93.07042	18.6
95.08614	44.4
101.05181	1.9
105.07042	31.6
106.54136	1.9
107.08601	29.4
109.10173	25.7
109.90926	2.4
111.08047	2.0
117.07046	3.0
119.08585	15.6
121.10181	11.0
123.11707	4.2
129.06963	2.3
131.08633	3.0
133.10167	12.8
135.11723	7.7
145.10138	2.8
147.11696	26.9
149.13281	5.6
155.08540	2.8
161.13313	11.9
175.14836	7.6
199.11166	3.2
203.17973	100.0
210.25375	2.2
217.12247	3.4
217.15900	3.6
221.19081	5.5
227.10632	3.9
245.11798	3.2
263.12732	2.9
263.17862	2.2
263.20041	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	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.82227	1.2
53.03936	2.8
55.01880	1.3
55.05513	15.4
55.32380	1.5
57.07084	12.4
65.03933	1.9
67.05508	81.2
69.03400	1.3
69.07067	16.1
69.25037	10.6
71.04993	2.4
71.08621	7.1
79.05503	26.1
81.07061	100.0
83.04994	1.3
83.08607	14.0
85.06534	4.2
85.10169	4.5
91.05486	20.7
93.07048	23.8
95.04961	1.8
95.08614	84.1
96.72714	1.1
97.06540	8.5
97.10184	6.7
99.08132	6.3
105.07030	15.4
107.08595	14.7
109.06519	3.7
109.10165	41.4
111.08080	4.6
113.09645	3.7
119.08598	11.6
121.10157	16.0
123.08071	2.8
123.11716	16.9
125.09623	1.9
129.07022	1.5
131.08543	1.7
133.10141	14.7
135.11696	12.7
137.09618	2.8
137.13269	7.7
141.12688	1.8
147.11734	10.0
149.13258	8.1
151.11089	2.1
151.14803	9.0
155.14322	1.9
161.13255	11.3
163.14874	8.9
165.16417	9.2
175.14833	7.7
177.16399	2.1
179.17944	2.3
189.16391	3.6
201.15269	1.4
214.75760	1.2
217.12233	2.4
217.19440	2.9
225.87405	1.3
243.24055	1.5
245.22688	32.5
263.23715	61.1
264.24191	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1279
Annotation	Shizukanolide F
Peak:m/z	Relative Intensity
50.82540	4.0
52.38031	5.1
53.03956	5.5
55.01873	15.3
55.05514	11.9
58.69466	5.1
61.35600	4.4
61.72591	4.2
65.03941	12.3
67.05505	25.0
69.03426	24.7
69.07064	15.8
71.04980	11.2
79.05495	45.4
81.03421	13.6
81.07066	41.2
83.04965	13.1
85.06565	6.6
88.38763	5.5
91.05481	72.9
92.05817	6.0
93.03476	5.2
93.07053	38.5
95.04996	8.0
95.08613	18.7
97.02906	7.5
97.06578	10.1
99.04461	14.5
103.05464	8.0
105.07029	71.6
107.04962	18.9
107.08617	29.4
109.06511	24.5
109.10170	8.5
115.05459	15.3
117.07052	39.3
119.04938	13.1
119.08594	33.0
121.02895	6.0
121.06504	17.3
121.10162	7.6
123.11759	5.4
128.06227	27.1
129.07028	49.8
130.07776	7.0
131.08566	55.5
133.06490	28.3
133.10136	15.0
135.04417	11.3
135.08063	19.7
136.01215	4.5
137.06000	5.9
141.07007	38.1
142.07767	31.2
143.08575	73.2
145.06499	19.9
145.10110	37.5
147.08037	17.1
147.11717	11.6
149.05989	7.2
149.09615	10.5
151.03931	4.8
153.07008	15.8
154.07785	10.3
155.06062	7.0
155.08575	43.0
156.09377	28.1
157.06488	21.7
157.10152	37.6
158.07306	16.3
159.08107	42.5
159.11778	10.7
161.06006	11.7
161.09615	13.8
165.05664	6.9
165.06952	29.7
166.07774	31.9
168.09396	9.9
169.06569	7.7
169.10139	17.7
171.08047	19.5
171.11705	57.2
173.06029	6.0
173.09605	26.5
175.07562	20.3
175.11305	10.3
179.07085	8.3
179.08571	7.3
181.10130	61.9
183.08159	8.8
183.11710	11.8
184.08803	17.8
185.09633	18.0
187.07544	23.6
187.11177	6.2
189.09074	5.4
189.12836	10.5
191.07039	13.7
197.09601	9.1
199.11211	80.0
201.09085	10.0
203.07062	6.6
203.10684	18.7
209.09644	20.6
215.10684	17.5
217.08699	5.7
217.12325	55.2
219.10237	15.0
227.10695	58.1
233.11697	13.6
245.11807	74.6
263.12857	100.0
263.15997	9.7
263.16437	8.4
263.23926	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	263.1279
Annotation	CHEBI:69325
Peak:m/z	Relative Intensity
53.03941	4.7
55.01859	9.1
55.05502	5.0
57.03429	4.0
63.22427	2.2
65.03931	4.4
67.01835	2.8
67.05502	13.9
69.03424	10.2
69.07058	10.2
71.04981	8.7
79.05490	27.5
81.03419	4.3
81.07050	16.6
83.04964	9.9
85.02882	8.6
91.05482	46.4
93.07053	23.4
95.04986	32.3
95.08605	8.0
97.02890	4.8
97.06526	9.1
99.04452	6.7
103.05460	8.3
105.06396	3.9
105.07037	47.3
107.04955	13.1
107.08002	2.1
107.08599	18.3
109.06505	15.8
109.10143	3.3
111.08110	2.8
113.02357	6.8
115.05455	8.6
116.06232	4.1
117.07018	19.9
119.04971	12.2
119.08591	19.8
121.02888	2.4
121.06514	13.0
121.10138	8.5
123.04424	8.5
123.08052	4.9
125.05920	2.9
127.07544	3.6
128.06244	18.8
129.07030	27.1
130.07773	3.9
131.04994	2.6
131.08562	24.4
133.06494	76.2
133.10133	12.2
135.04457	4.4
135.08067	31.1
137.05989	11.1
141.07005	13.1
142.07724	15.2
143.08565	37.6
145.06511	13.6
145.10126	20.6
147.04395	7.8
147.08078	11.5
147.11710	6.8
149.05969	7.7
149.09595	14.0
151.07529	3.4
151.11053	3.5
153.06989	6.1
154.07797	3.1
155.08575	27.1
156.09370	14.9
157.06462	10.4
157.10144	24.7
158.07251	7.2
159.08063	18.3
159.11667	4.7
160.08820	5.0
161.05984	7.8
161.09581	7.7
161.13293	3.5
163.07649	4.9
165.05530	3.6
165.06993	8.1
166.07722	11.7
169.06435	3.7
169.10138	6.7
171.04530	2.3
171.08080	17.7
171.11693	26.8
173.06015	2.9
173.09628	39.2
173.13345	3.0
175.07632	14.5
175.11198	13.3
179.07053	50.9
181.10106	21.4
181.59183	2.4
183.07965	3.7
183.11671	2.9
184.08867	7.7
185.06018	4.7
185.09608	8.0
187.07558	7.2
187.11223	3.9
189.09109	7.4
189.12762	16.0
191.07085	12.2
191.10690	5.0
193.08618	3.2
197.09576	4.3
199.11186	48.1
201.09111	8.0
203.07048	4.2
203.10643	9.3
205.08582	4.0
209.09570	7.3
215.10693	7.8
217.08669	4.6
217.12250	43.7
218.12708	3.3
219.10187	56.6
219.13507	2.5
221.11728	2.6
227.10661	30.6
228.97246	2.3
233.11728	16.5
235.13257	5.2
245.11703	42.6
263.12790	100.0
263.15808	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	263.1281
Annotation	Jacquilenin
Peak:m/z	Relative Intensity
51.02382	2.8
53.03951	7.7
55.01863	11.1
55.05509	9.9
57.03445	10.7
65.03946	15.6
67.01873	3.8
67.05507	27.0
69.03432	17.9
69.07056	5.3
69.59250	16.0
70.06612	4.0
71.04991	9.9
72.32951	2.4
75.04506	11.8
77.03961	2.7
79.05509	30.3
81.03421	7.1
81.07063	25.8
83.05004	13.5
85.02922	10.4
85.06531	6.7
85.98685	2.7
88.07645	4.0
91.05489	52.4
93.03406	6.9
93.07053	36.9
95.04977	28.0
95.08604	10.8
97.02884	2.9
97.06537	8.8
103.05450	6.9
105.07044	54.6
107.04980	15.2
107.08611	25.9
109.06516	17.5
111.04501	4.3
113.02376	8.1
115.05468	12.5
116.06238	2.4
117.07037	31.1
119.04947	7.4
119.08612	20.3
121.02876	7.7
121.06518	21.1
121.10172	6.9
123.04422	14.1
123.08067	7.0
125.06036	4.0
128.06244	19.1
129.07025	37.9
130.07816	5.5
131.04944	5.3
131.08585	36.8
133.06505	17.0
133.10165	13.9
135.04448	6.6
135.08026	15.0
135.11786	2.7
137.05991	8.4
139.03906	3.5
139.07544	2.9
141.07028	13.5
142.07785	18.2
143.08575	31.2
144.09445	2.4
145.06496	16.1
145.10146	26.4
147.04460	5.1
147.08055	18.6
147.11728	6.3
149.05997	10.6
149.09653	5.6
151.07585	5.9
152.06181	2.6
153.05560	3.7
153.06989	7.0
154.07809	5.3
155.08562	22.1
156.09377	16.0
157.06523	10.1
157.10144	29.7
158.07233	3.5
159.04509	3.7
159.08086	19.2
159.11736	2.6
161.06038	8.5
161.09659	10.0
161.13290	5.6
163.07533	8.3
165.05693	3.1
165.07056	9.0
165.09122	3.9
166.07785	14.4
167.06950	2.5
167.08453	3.8
168.09453	3.8
169.06454	2.4
169.10176	8.3
171.08099	9.3
171.11697	29.4
173.06044	4.2
173.09601	15.7
173.13277	3.6
175.07561	15.4
175.11226	22.0
177.09122	4.3
179.07033	2.3
181.10159	19.3
183.08064	4.2
183.11737	4.7
184.08929	4.8
185.05968	5.3
185.09590	11.8
187.07616	11.1
187.11218	9.5
189.05440	2.9
189.09142	86.2
189.12729	5.3
191.10667	5.5
193.08693	2.9
197.09625	5.0
197.14775	2.4
199.11229	53.2
201.09145	10.5
201.12691	2.7
201.20490	8.6
203.10678	24.8
205.08638	6.8
208.79117	2.5
209.09644	6.5
215.10732	7.5
217.12274	85.7
217.14320	5.4
219.10213	7.0
227.10699	29.2
233.11673	2.9
235.13260	4.0
239.49176	2.5
245.11771	62.0
247.86084	2.2
263.12842	100.0
263.24100	12.2
264.13171	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.128
Annotation	Trixol
Peak:m/z	Relative Intensity
55.01863	2.4
63.60866	1.3
63.82540	1.3
64.54305	1.2
67.05508	7.5
69.03456	1.7
71.04997	1.5
71.10672	2.4
79.05496	10.1
81.07059	23.0
83.04987	1.4
91.05484	13.6
93.07046	4.1
95.04968	9.4
99.21346	2.0
100.90299	1.7
105.07042	20.8
107.04949	5.8
107.08565	2.2
108.05733	3.3
109.06536	19.0
115.05460	3.7
117.07018	3.7
119.04964	1.8
119.08591	12.2
121.06515	4.2
123.04436	15.1
127.07542	6.1
128.06235	4.8
129.07025	14.6
131.08589	19.5
133.06538	6.7
133.10159	18.4
135.08060	2.8
137.06001	1.9
141.07001	5.5
142.07794	15.9
143.08572	14.1
145.06506	4.0
145.10109	5.9
147.08058	4.5
147.11711	7.6
149.05981	1.6
155.08545	3.3
156.09375	3.2
157.06535	2.0
157.10141	35.7
158.10712	1.9
159.08072	27.1
159.11661	2.3
160.08826	3.4
161.06050	2.3
161.09645	15.4
165.06941	3.3
166.07776	2.9
167.08611	2.3
169.06473	1.7
170.07222	1.9
171.11720	6.0
173.09630	2.0
173.13266	2.5
175.11203	57.1
181.10133	3.9
184.09053	1.6
185.09630	34.1
187.07581	10.1
189.12601	1.7
199.11211	23.0
203.10701	81.3
205.08638	4.2
209.09671	2.1
217.12267	100.0
221.11702	2.8
227.10690	10.0
245.11774	24.4
263.12778	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	263.1279
Annotation	Shizukanolide F
Peak:m/z	Relative Intensity
52.00586	2.8
52.86600	2.4
53.03942	7.0
54.93363	2.6
55.01868	6.3
55.05504	8.6
60.29027	2.6
62.01833	2.7
65.03934	4.7
65.09687	2.7
67.05499	9.3
69.03425	5.2
69.07050	5.1
71.05013	3.4
71.42751	4.2
78.25082	2.9
79.05492	23.3
81.03414	7.4
81.07049	23.6
83.04980	7.0
83.08646	3.1
85.02897	5.0
87.04494	3.8
91.05486	44.3
93.07043	21.4
95.04978	11.4
95.08624	8.1
96.10426	2.7
97.06502	4.3
99.04475	4.1
103.05497	4.2
104.13961	2.5
105.03300	4.0
105.07040	43.0
107.04944	7.8
107.08602	11.5
109.06525	13.4
115.05478	12.2
116.06219	2.8
116.16542	2.6
117.07026	23.3
119.04938	5.5
119.08575	23.3
121.06500	12.0
121.10133	5.7
123.04434	3.6
123.13145	2.6
125.05984	4.8
126.16522	2.7
128.06227	18.8
129.07004	58.4
130.07809	3.6
131.04913	9.9
131.08560	47.2
133.06490	9.6
133.10144	11.2
135.04463	4.1
135.08083	6.7
137.05978	6.7
141.07008	17.6
142.07843	13.3
143.08554	55.0
145.06470	6.7
145.10133	22.6
147.04422	9.0
147.08035	12.0
147.11624	6.5
149.09621	11.0
151.03929	11.0
153.06984	7.0
155.08572	27.9
156.09348	12.3
157.06519	24.7
157.10132	22.6
159.04425	34.9
159.08069	16.5
159.11720	7.7
161.05966	5.4
161.09607	6.3
161.13268	7.4
163.07532	6.4
163.13190	2.7
165.07011	10.1
166.07814	19.2
167.08466	4.3
168.09312	3.0
169.10126	7.8
171.08061	12.5
171.11700	62.5
173.09613	44.7
173.13232	4.3
175.07555	12.1
175.11139	3.5
177.09152	6.9
177.14702	7.0
179.08543	3.9
181.10110	35.8
183.08012	3.8
183.11699	7.0
184.08861	3.7
185.06047	4.0
185.09653	6.9
185.13327	4.3
187.07547	3.0
189.09045	7.9
189.12743	13.0
191.07079	3.0
191.10692	4.0
197.09607	5.6
198.09914	2.8
199.11200	100.0
199.14838	5.8
200.31799	3.0
201.09108	27.0
201.12781	4.0
203.10704	6.4
205.12418	4.0
209.09660	5.5
209.13200	3.7
212.12094	3.8
217.12260	38.0
219.08316	3.4
219.10194	11.7
221.15353	3.3
227.10678	39.3
227.14311	6.8
233.08078	3.8
245.11736	96.3
245.15479	8.7
249.03937	5.1
249.06393	3.0
263.05438	4.0
263.12817	37.8
263.16382	22.0
263.18726	4.9
263.24066	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	263.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	0.9
70.99859	1.6
71.14588	1.7
73.02905	0.7
77.00927	1.1
78.50370	0.7
82.99837	5.6
89.00911	1.7
94.92999	0.9
97.02881	2.0
101.00893	43.7
113.00888	11.6
115.02426	1.5
118.08678	2.6
119.01933	31.0
124.02360	0.7
125.83797	0.7
127.02428	2.6
127.99607	0.7
131.01927	18.7
133.03493	2.7
137.02991	2.3
139.02428	2.7
143.01913	68.4
144.02071	0.9
145.03459	7.1
145.46881	0.7
149.03011	0.8
155.01898	13.9
157.03488	10.2
159.01463	1.5
161.02974	100.0
162.03159	1.2
167.01932	2.0
173.02989	28.5
175.04564	3.6
179.04007	1.3
184.04588	1.8
185.02991	9.0
187.04669	0.8
191.04031	17.7
197.03053	2.5
202.88998	0.9
203.04024	23.5
213.92970	0.7
215.04051	1.3
221.05099	11.2
229.24857	0.7
233.05080	2.7
239.06160	4.1
245.05087	1.5
263.06146	65.3
264.06378	1.0
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
58.99868	1.4
68.98296	1.1
70.02354	2.4
70.02744	1.9
70.98137	1.1
70.99860	2.0
76.75393	1.1
77.00901	1.3
82.99831	8.5
85.02881	2.1
86.99310	1.2
89.00879	2.4
94.99841	1.1
97.02864	1.5
98.20878	1.6
98.97561	2.7
101.00891	51.0
102.00970	1.1
113.00877	13.6
115.02425	1.5
115.37529	0.9
119.01929	35.5
120.02047	1.3
127.02383	2.6
131.01918	16.2
137.02974	1.7
139.02408	3.1
143.01906	77.4
145.03450	6.0
155.01901	9.0
157.03458	9.7
159.01408	1.8
161.02965	100.0
162.03139	1.4
167.01863	3.5
173.02966	25.2
175.02789	1.2
175.04512	1.4
179.02014	1.0
184.04512	1.6
185.02998	10.4
185.47673	1.0
187.04439	1.0
191.03998	12.4
197.02971	2.5
203.02325	2.0
203.03998	28.6
207.54939	1.0
215.03970	1.4
221.03233	2.7
221.05077	8.4
233.05093	2.6
239.06093	4.8
245.05110	1.8
263.06140	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	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90794	25.5
53.94102	24.4
70.11900	100.0
70.39351	24.0
73.58208	26.7
101.00914	26.7
143.01894	52.5
161.02890	48.6
253.20715	33.6
263.01663	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	262.2169
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
53.03947	0.5
55.01887	0.3
55.05503	1.1
56.05847	0.5
57.07062	0.9
58.06607	9.2
59.04988	0.3
62.94232	0.3
65.95071	0.3
67.05511	2.9
68.05832	0.4
69.07074	3.7
69.35462	2.4
70.06568	0.4
79.05492	2.7
80.05830	0.7
81.07061	4.0
82.07384	0.7
83.08619	1.5
84.04513	1.7
85.06491	0.4
91.05505	1.9
92.05809	0.5
93.07057	4.8
94.06570	0.6
94.07376	1.3
95.08614	5.9
96.08122	0.3
96.08936	0.6
96.84605	0.3
103.46731	0.3
105.07044	4.9
107.08620	2.9
108.08111	1.1
108.08932	0.9
109.10167	1.1
110.10449	0.3
110.21583	0.3
112.07585	1.1
112.08345	0.3
117.07011	0.8
117.60729	0.4
118.07347	0.4
119.08608	2.7
120.08154	0.4
121.06505	1.2
121.10162	2.2
122.09672	0.8
122.10490	1.0
129.06926	0.5
131.08585	7.7
132.08936	0.4
133.10104	1.0
135.11700	1.0
136.11214	9.1
136.12044	0.6
143.08540	1.1
145.10127	4.0
146.10419	0.5
147.11691	1.0
149.09593	0.7
149.13239	0.8
150.13577	0.6
157.10104	0.7
159.11693	0.8
161.13235	0.4
162.10382	0.3
162.13762	0.4
163.11191	0.4
163.14799	1.8
164.15163	0.6
165.12767	0.7
168.13829	0.9
171.11757	0.5
171.56178	0.3
176.14305	0.5
177.16356	0.4
178.63007	0.3
187.14847	2.0
188.11281	0.3
203.17873	0.4
205.15842	2.3
206.15425	1.3
244.20981	2.3
256.12466	0.3
262.21683	100.0
263.21973	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
57.07079	6.3
58.06594	0.7
67.05496	0.5
68.05043	0.4
69.07044	0.5
70.06207	0.8
70.06597	17.1
71.08643	4.2
71.13983	0.4
71.50467	0.7
79.05473	0.7
81.07059	0.9
84.08141	1.7
86.09700	0.6
87.04484	0.6
88.07640	17.5
91.05480	0.8
92.05808	0.4
93.07043	0.8
95.04950	0.6
99.08073	0.5
102.09183	0.7
102.59419	0.4
105.07013	0.7
105.46851	0.4
105.85886	0.4
106.08686	3.0
107.08604	0.4
109.10180	0.5
114.09178	6.4
114.84544	0.4
117.07006	0.5
118.07362	0.7
118.08664	2.3
119.08569	0.8
121.35699	0.4
129.06979	0.5
130.07324	0.5
132.10216	22.3
137.06030	0.4
143.08548	0.6
144.08922	0.4
145.10112	0.5
148.09758	0.5
150.11266	18.9
156.08968	0.5
166.44540	0.5
170.10544	0.8
176.14406	1.4
186.18584	1.2
198.09959	0.7
199.11198	0.7
200.20091	1.0
203.10623	0.6
216.11076	1.1
217.12373	0.6
218.21178	7.1
219.45496	0.5
226.09471	0.5
244.10490	0.8
245.11723	0.9
262.11780	1.9
262.23798	100.0
263.24155	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.01876	1.0
55.05514	12.1
57.07075	4.5
65.03941	1.2
67.05508	38.2
69.07067	8.7
70.34421	1.6
70.34837	2.4
71.04980	2.8
71.08585	1.3
77.03921	1.6
79.05495	56.0
81.07059	43.5
83.08620	7.6
85.06535	3.7
91.05488	26.2
93.07050	68.9
95.04959	2.6
95.08612	33.3
97.06496	2.5
97.10138	2.7
99.08080	3.0
105.04523	1.3
105.07039	19.9
105.07758	0.7
107.08599	45.7
109.06494	2.9
109.10156	14.2
111.08057	3.2
113.09586	1.0
115.05421	1.1
117.07014	7.3
119.08593	15.2
121.10146	38.9
123.08040	1.9
123.11689	3.3
129.07013	1.2
131.08571	15.5
133.09261	1.0
133.10141	11.5
135.11696	31.2
135.12714	2.1
137.09628	1.5
139.11176	1.3
141.07007	1.2
145.10133	14.3
147.11671	10.6
149.13269	26.6
159.11682	10.3
161.13255	12.8
163.11246	1.0
163.14830	19.1
165.12740	1.3
169.10130	1.5
173.09645	1.0
173.13283	9.8
175.14839	3.7
177.12927	0.9
177.16382	4.6
179.14272	1.6
187.14775	5.5
191.14297	1.1
201.16406	3.7
205.15910	1.1
215.10655	2.1
215.17888	1.3
243.09938	1.2
243.21112	30.1
261.11127	1.4
261.22144	100.0
262.22409	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2166
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
54.79735	0.5
55.05511	1.4
57.07065	1.2
58.06599	9.5
59.14426	0.6
67.05500	2.7
69.07076	3.5
70.96581	1.0
76.71882	0.5
79.05492	2.4
80.05827	0.7
81.07069	2.9
82.06615	0.5
83.08616	1.8
84.04513	2.6
86.05723	0.5
91.05479	2.0
93.07059	4.4
94.07387	0.9
94.81464	0.5
95.08610	6.2
105.07035	4.7
107.08588	2.7
108.08157	0.8
108.08900	0.8
109.06541	0.5
109.10159	1.0
110.10497	0.6
112.07619	1.0
117.06980	1.1
119.08601	2.8
121.06507	1.1
121.10152	1.3
130.07811	0.7
131.08589	7.9
135.11690	1.0
136.11209	9.3
136.12163	0.9
143.08601	1.3
145.10146	4.3
147.11707	1.1
149.09554	0.7
149.13130	0.6
157.10194	0.8
159.11716	1.2
161.16168	0.6
163.14818	1.5
164.10718	0.5
185.13295	0.6
186.66820	0.5
187.14857	3.0
205.15907	1.9
206.15373	1.5
244.20757	2.0
262.14236	1.7
262.21671	100.0
263.21954	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02409	0.7
53.03943	2.9
55.01869	0.9
55.05518	14.7
57.03442	1.3
57.07088	4.4
63.20029	0.6
65.03944	1.9
67.05511	46.0
67.43595	0.5
69.03442	0.9
69.07073	14.4
69.81667	2.1
71.04987	2.5
71.08638	1.5
77.03946	1.5
79.05500	60.6
81.07065	53.3
83.04990	1.0
83.08629	7.8
85.06551	4.4
91.04910	1.0
91.05492	33.0
93.07053	77.1
95.04977	4.1
95.08617	38.5
97.06537	3.6
97.10202	3.3
99.08114	4.5
105.04521	2.0
105.07042	21.1
107.04990	1.0
107.08605	53.2
109.06530	1.7
109.10173	14.7
111.08097	4.0
111.11753	0.8
113.09655	1.2
117.07029	7.8
119.06079	0.6
119.08594	17.1
121.10155	46.2
123.08096	1.6
123.11733	5.2
125.09631	1.4
129.06989	1.2
131.08586	16.4
133.09137	0.8
133.10143	15.6
135.08070	1.1
135.11707	35.0
137.09595	2.5
137.13254	1.6
139.11203	0.8
143.08554	0.8
145.10136	16.0
147.08110	0.4
147.11710	12.4
149.09630	0.8
149.13274	29.7
151.11209	1.9
151.14861	1.1
153.12807	1.0
155.08617	1.0
159.11717	11.8
161.13269	13.5
163.14830	19.0
165.12808	1.6
169.10155	1.0
171.08150	0.5
171.11839	0.6
173.09654	0.6
173.13280	11.4
175.14847	5.2
177.12822	0.7
177.16386	5.7
179.14365	2.3
187.14841	7.2
189.16359	1.1
197.09726	1.0
201.09023	0.6
201.16400	3.5
205.15941	0.9
215.10748	0.9
215.17908	1.7
217.19574	1.1
219.17319	0.6
233.22742	1.4
243.10161	1.1
243.21109	37.0
261.11313	1.6
261.22165	100.0
262.22516	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.4
53.03949	2.5
55.01873	1.1
55.05513	13.7
57.03429	1.8
57.07076	3.8
65.03944	2.2
67.05507	43.2
69.03411	0.5
69.07071	13.0
71.04992	2.4
71.08626	1.6
71.50735	0.6
77.03937	1.5
79.05495	60.6
81.03426	0.5
81.07059	46.1
83.04984	1.9
83.08621	7.6
85.06543	3.3
85.10176	0.5
91.05485	30.6
92.05785	0.6
93.07046	75.6
94.07365	0.6
95.04972	3.9
95.08611	35.1
97.06522	3.5
97.10188	2.6
99.08099	4.9
102.80006	0.5
103.05494	0.7
105.04526	1.3
105.07034	22.2
107.04931	0.4
107.08598	48.7
109.06493	2.0
109.10162	15.9
111.08078	3.1
113.09644	1.3
115.05447	0.6
117.07024	7.2
119.06110	1.0
119.08589	17.2
121.06525	0.8
121.10149	42.4
123.08087	2.2
123.11695	4.3
125.09625	1.2
128.06247	1.3
129.07021	1.8
130.07837	0.5
131.08575	16.0
133.06480	0.6
133.10133	14.7
135.08133	0.5
135.11696	34.4
136.12071	0.6
137.09586	2.7
137.13242	1.6
139.11212	0.7
143.08609	1.1
145.10127	15.5
147.08055	0.6
147.11693	11.8
147.12811	1.0
149.13263	27.6
150.13647	0.5
151.11160	1.1
151.14798	1.0
153.12773	0.5
154.07806	0.8
155.08589	0.7
157.10161	0.8
159.11696	10.7
161.13264	10.9
163.11192	0.7
163.14828	19.3
165.12776	1.5
169.10141	1.0
171.08037	0.6
171.11710	0.7
173.09656	0.9
173.13271	9.6
175.14821	4.8
177.16422	5.4
179.14308	1.7
187.14825	7.4
189.16435	0.6
197.09663	0.9
201.09146	0.9
201.16374	3.2
203.17914	0.8
205.15924	1.1
215.10667	1.1
215.17966	1.7
217.19580	0.4
219.17490	0.9
225.09041	0.6
233.22704	0.8
243.10152	1.5
243.21092	32.4
261.11215	1.9
261.22147	100.0
262.22452	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.88271	0.3
51.02355	0.3
53.03939	2.9
54.76445	0.4
55.01878	0.9
55.05513	13.6
57.03435	1.7
57.07077	3.7
64.73605	0.4
65.03938	2.1
67.05506	40.4
69.03424	0.7
69.07068	12.2
69.29752	0.3
69.30061	3.0
71.04990	2.5
71.08630	1.7
77.03947	1.3
79.05495	58.1
81.03435	0.4
81.07058	50.5
83.04964	1.6
83.08621	8.2
84.42545	0.3
85.06541	3.7
85.14856	0.3
86.14519	0.3
91.05483	29.9
93.07045	75.4
94.07342	0.4
95.04983	4.7
95.08609	36.2
97.02881	0.7
97.06532	3.0
97.10181	2.7
98.21532	0.5
99.08099	4.0
103.05478	0.5
105.04547	1.9
105.07034	21.6
107.04984	0.6
107.08596	48.0
108.30820	0.4
109.06533	1.8
109.10156	14.8
109.85933	0.3
110.74259	0.3
111.08091	4.8
111.11739	0.6
113.09633	1.1
115.05471	1.1
116.06292	0.4
117.06226	0.6
117.07024	8.5
119.06095	0.5
119.08585	16.2
121.06522	0.8
121.10146	41.6
122.10481	0.4
123.04439	0.6
123.08051	2.1
123.11719	4.8
125.09653	1.3
127.11179	0.6
128.06216	1.1
129.06985	2.1
130.07797	0.9
131.08572	16.7
133.06549	0.5
133.09117	0.8
133.10136	13.7
135.04439	0.5
135.08083	0.7
135.11693	35.1
137.09593	1.6
137.13255	1.7
139.11174	0.7
141.07002	1.2
143.08621	1.8
144.09337	0.4
145.06473	0.8
145.10124	16.5
147.04327	0.4
147.08047	1.0
147.11696	12.5
149.09653	0.9
149.13263	28.2
151.11198	1.1
151.14832	0.7
151.89473	0.4
153.06946	0.4
153.12709	0.8
154.06598	0.3
154.07710	1.6
155.08583	1.3
157.10144	0.9
158.07230	0.3
159.08026	0.7
159.11700	10.0
161.06027	0.5
161.13255	12.0
163.11185	0.8
163.14827	20.4
165.12764	1.7
167.08572	0.6
169.10126	1.9
171.08058	0.8
171.11707	0.5
173.09691	1.8
173.13272	12.2
175.14836	4.8
177.12798	0.7
177.16397	6.0
179.08484	0.4
179.14345	1.6
182.07266	0.3
185.13162	0.4
187.11197	1.0
187.14824	7.6
189.16483	0.7
191.14203	0.4
191.17950	0.4
193.15894	0.4
197.09615	2.4
199.11133	0.5
200.15694	0.4
201.09116	1.4
201.16345	3.6
203.17928	0.4
205.15935	0.8
215.10751	2.3
215.17920	2.6
217.08656	0.4
217.19521	0.8
219.17433	1.2
225.09016	0.5
233.11792	0.3
233.18985	0.4
233.22614	1.4
243.10266	1.7
243.21089	31.1
261.11343	3.0
261.22141	100.0
262.22437	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02386	0.8
53.03945	5.0
55.01866	1.6
55.05272	1.1
55.05513	15.4
55.64462	0.9
57.03425	1.9
57.07070	5.7
58.31976	0.8
62.14117	0.9
64.83842	0.8
65.03943	1.9
67.05508	41.6
69.03403	0.9
69.07073	13.9
71.04990	3.2
71.08603	1.2
71.52222	1.4
77.03950	1.1
79.05496	58.8
81.07059	49.2
83.04969	1.4
83.08621	8.1
85.06538	3.6
91.05483	33.6
93.07047	81.5
95.04956	4.0
95.08612	35.3
97.06528	3.4
97.10152	3.1
99.08093	3.7
103.05513	1.1
105.04546	1.2
105.07030	21.0
107.08595	50.5
109.06513	2.9
109.10161	14.8
111.08087	3.8
115.05441	1.5
117.07018	9.0
119.08588	17.6
121.06538	1.1
121.10150	45.8
123.08062	2.4
123.11732	4.4
125.09632	1.0
128.06262	1.6
131.08572	16.5
133.10129	17.0
135.08150	1.5
135.11691	29.5
137.09647	1.6
137.13235	1.8
139.11208	1.7
141.06987	2.1
143.08563	1.7
144.09256	0.9
145.06570	1.0
145.10129	16.2
147.11687	10.7
149.09636	2.5
149.13260	26.4
151.11162	1.7
153.12688	1.7
154.07681	0.9
159.11703	11.9
161.13257	12.3
163.14813	21.9
165.12888	1.1
169.10138	1.9
173.09613	1.1
173.13277	11.8
175.14838	4.0
177.12769	1.1
177.16443	5.9
177.57108	1.0
179.14317	1.9
187.14825	8.5
197.09636	2.2
201.09161	1.2
201.16397	3.8
203.17889	0.9
205.15984	1.1
206.94426	1.0
215.10747	2.7
215.17960	3.2
219.17448	1.1
233.22791	1.1
243.10014	1.4
243.21092	29.1
261.11014	1.9
261.22153	100.0
262.22562	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1124
Annotation	8-Deoxylactucin
Peak:m/z	Relative Intensity
53.03943	5.0
55.01868	6.5
55.05500	4.9
60.59528	2.1
61.42162	1.9
64.62363	2.1
65.03941	3.8
67.05518	14.1
69.03421	5.2
69.07076	3.6
69.74146	12.7
71.04990	4.9
79.05506	17.8
81.03403	3.1
81.07048	8.5
83.04987	4.9
91.05482	36.1
93.07052	9.5
95.04972	15.1
95.08591	6.3
97.02888	3.6
97.06538	6.4
99.04472	8.5
103.05465	7.9
105.03455	2.5
105.07046	39.8
107.04971	14.7
107.08598	5.6
109.06535	7.4
111.04427	3.8
115.05475	15.3
116.06238	2.7
117.07015	22.0
119.04960	9.7
119.08635	13.4
121.05751	2.1
121.06476	11.8
123.04461	7.5
123.08075	8.9
126.89120	2.0
127.37219	2.0
128.06229	24.4
129.07018	32.8
130.07791	10.2
131.04930	6.6
131.08572	18.7
133.06508	14.9
135.04443	16.0
141.06999	19.0
142.07762	10.1
143.08569	23.0
144.09352	4.7
145.06487	21.8
145.10097	25.1
147.04419	16.2
147.08044	16.9
149.05984	5.0
151.07629	2.4
153.07013	14.4
154.07790	24.2
155.06026	3.5
155.08585	26.6
156.09381	5.9
157.06499	11.9
157.10135	11.3
158.07281	11.1
159.04453	3.9
159.08105	17.0
159.11671	15.3
161.05991	8.1
161.09587	2.8
163.03923	7.0
163.07529	6.6
165.06993	6.0
166.07745	3.4
167.08540	4.8
169.06499	5.5
169.10141	37.5
171.08047	15.2
171.11682	4.7
172.08788	7.0
173.05956	8.8
173.09615	48.4
175.07565	7.7
175.11154	2.6
178.07774	4.8
179.08560	10.7
181.06430	2.8
181.10100	3.3
182.07274	10.4
183.08054	11.9
185.05980	5.3
185.09674	5.1
187.07562	9.9
187.11171	27.3
189.09076	3.3
197.09630	35.3
199.07561	5.3
199.11206	5.6
200.08310	4.1
201.05447	2.7
201.09126	54.0
203.07043	8.3
205.12158	3.1
215.07211	3.9
215.10687	100.0
217.08612	4.0
219.10158	10.3
219.29266	2.3
222.81393	2.3
225.09148	18.7
231.10214	3.0
233.11624	3.6
234.22156	2.3
243.10184	54.4
243.13922	5.5
261.11249	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1122
Annotation	8-Deoxylactucin
Peak:m/z	Relative Intensity
51.02362	2.4
53.03943	6.6
55.01860	9.0
55.05515	2.7
65.03937	9.0
67.01847	2.7
67.05509	21.3
69.03439	19.5
70.61920	7.2
79.05495	29.6
81.03431	5.0
81.07053	10.6
81.15096	2.1
83.04972	8.9
85.02872	3.5
91.05491	46.9
93.03412	4.4
93.07042	17.9
95.04979	38.0
95.08604	7.5
97.02895	19.4
97.06525	4.7
103.05472	7.1
105.04500	3.5
105.07037	36.5
107.04963	20.1
107.08611	4.7
109.02898	3.3
109.06512	11.1
111.04459	5.3
115.05460	17.5
117.07024	37.0
119.04942	9.6
119.08609	21.2
121.06490	25.6
121.10131	3.6
122.07290	3.1
123.04478	8.5
123.08085	5.7
128.06207	31.6
129.07016	33.7
130.07817	5.3
131.04904	5.2
131.08569	22.9
133.06499	16.5
134.07336	2.6
135.04382	12.8
135.08051	6.2
136.08731	2.8
137.05980	5.0
137.09639	3.9
139.03828	3.0
141.06985	28.8
142.07791	8.4
143.08557	42.0
144.09319	5.1
145.06479	28.6
145.10126	23.0
146.07265	2.9
147.04376	4.6
147.08055	27.2
149.05995	4.0
152.06229	2.5
153.06958	16.1
154.07779	40.3
155.06053	3.7
155.08554	42.0
156.09351	4.6
157.06526	10.2
157.10127	6.3
158.07295	7.4
159.04376	2.3
159.08038	14.6
159.11667	12.7
161.05966	7.4
161.09656	8.2
163.07571	4.2
165.07043	5.3
165.09050	3.0
166.07788	4.3
167.08592	9.6
169.06554	3.9
169.10129	51.3
171.08058	28.8
171.11690	6.2
172.08864	5.6
173.05957	5.7
173.09628	31.5
175.07538	4.5
178.07826	2.8
179.08540	12.8
181.06482	3.8
182.07228	14.2
183.08081	8.6
184.08914	3.0
185.05954	3.2
185.09636	4.8
187.07516	6.4
187.11191	22.9
189.09114	10.2
197.09633	56.7
198.10422	3.4
199.07576	11.9
199.11322	5.2
200.08339	2.7
201.09126	16.3
210.06679	2.7
213.09157	3.5
215.10660	57.1
217.08591	14.0
217.12202	3.1
225.09102	22.2
231.10199	3.4
233.11781	9.0
243.10201	44.0
261.11255	100.0
261.14072	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	261.1123
Annotation	8-Deoxylactucin
Peak:m/z	Relative Intensity
53.03941	7.7
55.01866	12.9
60.87657	5.5
65.03941	13.0
67.01870	5.5
67.05501	20.9
69.03422	12.8
69.07080	10.7
70.10287	8.4
70.10671	7.9
70.37292	4.8
71.04990	8.3
79.05490	30.5
81.03445	6.1
81.07050	9.8
83.04975	7.4
89.32970	5.2
91.05486	61.0
91.72741	4.9
93.03418	6.8
93.07053	11.2
95.04956	17.0
97.06526	9.9
99.04473	25.6
103.05471	14.1
105.07046	58.9
107.04980	38.1
109.06517	14.4
111.04421	5.3
115.05476	31.7
117.07027	33.3
119.04942	9.3
119.08611	22.1
121.06504	10.7
123.04420	8.2
123.08086	18.8
128.06192	28.1
129.07004	41.0
130.07800	15.1
131.04927	8.7
131.08594	32.8
132.05704	5.1
133.06529	23.8
135.04422	44.1
135.08090	8.6
141.07002	37.5
142.07774	14.0
143.08562	37.3
144.05672	5.1
145.06532	27.9
145.10138	37.6
146.07277	4.4
147.04413	28.9
147.08064	34.3
149.05981	12.6
149.09602	5.0
153.07004	29.0
154.07785	49.8
155.06015	6.8
155.08578	37.7
156.09418	7.2
157.05331	5.1
157.06540	18.5
157.10115	17.6
158.07275	19.5
159.04430	15.0
159.08098	18.5
159.11737	13.1
161.06050	9.6
163.03940	10.2
163.07637	9.8
165.05537	4.5
165.06979	5.9
167.08606	8.5
169.06445	4.8
169.10130	74.5
171.08098	17.3
171.11789	7.9
172.08884	6.6
173.05981	13.9
173.09634	94.2
175.07594	10.0
179.08591	13.1
182.07268	12.7
183.08055	25.6
185.06017	12.1
187.07619	9.3
187.11176	32.2
189.09186	5.6
197.09676	52.3
199.07642	4.8
201.09126	84.4
203.06944	7.2
215.10660	95.8
217.08609	6.6
219.10146	19.3
225.09096	24.5
233.11734	5.9
243.10191	81.4
261.11230	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1123
Annotation	8-Deoxylactucin
Peak:m/z	Relative Intensity
53.03941	5.4
55.01866	9.0
55.05512	5.6
65.03930	9.3
67.01868	4.5
67.05516	21.7
69.03429	20.5
70.01183	12.3
79.05489	24.5
81.03409	4.1
81.07047	10.7
83.04968	9.0
91.05485	56.5
93.03379	4.1
93.07076	17.7
95.04977	28.2
95.08596	8.6
97.02369	3.2
97.02903	26.8
97.06538	4.9
98.20769	3.5
103.05453	7.4
103.12650	2.6
105.04483	3.7
105.07030	32.2
107.04945	18.2
107.08611	3.6
109.02882	2.6
109.06514	10.9
111.04440	3.9
115.05463	19.1
115.87611	2.4
117.07034	32.7
119.04933	9.4
119.08606	17.6
121.06522	27.4
123.04453	5.9
123.08062	7.6
128.06241	36.2
129.07021	38.2
130.07765	10.7
131.04971	4.1
131.08560	18.5
133.06482	10.8
135.04420	15.6
135.08051	5.3
137.09576	2.6
141.06989	34.6
142.07785	11.6
143.08566	42.6
144.05656	2.5
144.09351	4.7
145.06490	23.1
145.10168	24.8
146.07204	3.3
147.08046	27.8
149.05952	4.8
152.06187	4.1
153.07010	19.4
154.07787	40.2
155.08582	30.6
156.09288	5.5
157.06491	8.5
157.10078	5.7
158.07281	7.6
159.08092	14.0
159.11682	14.6
161.05992	7.1
161.09653	7.5
163.03893	6.1
163.07599	4.1
165.07021	9.1
165.09119	2.6
166.07806	5.1
167.08565	7.8
169.06468	5.3
169.10127	50.2
171.08043	26.2
171.11697	6.8
172.08815	6.1
173.05998	6.0
173.09637	29.6
175.07564	4.9
178.07814	6.0
179.08530	14.5
181.06483	5.0
182.07277	20.7
183.08069	9.7
184.08881	3.3
185.09647	6.1
186.10397	2.4
187.07538	4.0
187.11180	24.2
189.09093	7.0
189.47403	2.7
197.09650	55.9
199.07668	6.5
199.11197	8.2
201.09109	22.4
213.09135	4.4
215.10707	48.4
217.08655	7.6
225.09138	17.8
233.11726	6.4
243.10220	34.6
255.11861	2.8
261.11246	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1123
Annotation	14-Hydroxyhypocretenolide
Peak:m/z	Relative Intensity
55.01875	4.0
60.76906	2.2
64.13491	2.1
67.05534	5.5
69.03419	3.0
69.61426	12.8
77.03403	2.2
79.05495	7.3
81.07059	3.2
83.05003	3.9
89.03947	2.2
91.05477	15.9
93.07045	3.7
95.04948	5.3
96.91307	2.4
103.05475	3.4
103.28717	2.3
105.07053	11.0
107.04959	9.2
113.78747	2.5
114.44871	2.7
115.05465	10.7
117.07022	19.8
119.04948	3.3
119.08621	5.4
121.06544	2.2
128.06226	25.7
129.07008	30.3
130.07730	5.1
131.08572	11.4
133.06500	4.4
133.90143	2.1
135.04338	2.5
141.06999	24.8
142.07787	9.2
143.08569	46.5
145.06453	11.4
145.10132	18.5
147.08075	7.4
152.06230	4.8
153.06989	17.3
154.07782	38.5
155.06042	4.2
155.08559	48.4
157.06499	11.3
157.10126	2.5
158.07289	10.8
159.08125	12.9
159.11748	2.5
165.07034	5.5
167.08556	9.2
169.06458	7.6
169.10135	65.1
171.08017	17.8
171.11694	8.1
173.05890	5.5
173.09601	32.3
178.07877	2.7
179.08562	17.4
181.06567	2.7
182.07309	11.9
183.08035	11.0
185.09634	15.3
187.07524	3.0
187.11186	9.3
189.09152	5.8
197.09636	51.6
199.07539	7.2
199.11172	4.5
201.09109	31.0
213.09050	7.9
215.10678	100.0
219.10379	2.8
225.09061	19.2
231.10123	5.6
233.11699	2.6
243.10185	39.0
261.11227	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	261.1124
Annotation	8-Deoxylactucin
Peak:m/z	Relative Intensity
55.01864	2.7
55.05504	1.3
56.06647	1.1
57.03444	1.2
57.07074	1.9
62.41459	1.1
65.03932	1.6
67.05493	4.1
69.03419	4.2
70.06585	1.7
70.85808	2.5
71.04993	1.1
71.43726	1.0
77.83801	1.0
79.05499	5.5
81.07059	2.6
88.07655	2.8
91.05489	13.0
93.07041	4.1
95.04964	4.4
97.02875	2.5
102.70538	1.0
103.05459	3.0
105.07050	15.7
106.08700	1.7
107.04953	2.0
109.06512	2.4
115.05431	6.0
116.06224	1.8
117.07029	13.9
119.04956	4.5
119.08589	6.7
121.06506	3.1
123.04455	2.3
123.08071	1.0
128.06238	11.1
129.07025	16.6
129.97430	0.9
130.07765	3.7
131.04913	1.5
131.08577	13.8
133.06490	4.0
133.10129	1.6
135.04391	2.3
137.05972	2.5
141.07008	9.7
142.07756	4.4
143.08563	14.2
144.05707	2.4
144.09299	3.6
145.06496	13.4
145.10130	17.5
147.08055	4.4
153.07013	8.4
154.07811	14.0
155.06003	1.6
155.08577	19.1
156.09354	4.5
157.06532	9.6
157.10149	6.7
158.07278	9.6
159.08047	12.5
159.11691	8.8
161.05984	4.3
161.09669	2.2
163.07542	1.9
165.06993	1.4
166.07852	1.5
167.08591	2.1
169.06470	1.7
169.10149	23.5
171.08072	6.9
171.11708	3.8
172.08856	7.0
173.06007	3.6
173.09637	35.5
174.06741	1.8
175.04068	1.2
175.07582	5.6
175.11189	1.5
177.09073	1.5
178.07770	1.3
179.08507	5.5
181.06490	2.2
181.10207	1.3
182.07295	8.0
183.08035	8.4
184.08876	4.0
185.06000	6.9
186.06778	5.6
186.10388	1.5
187.03928	1.9
187.07611	8.6
187.11189	20.0
188.08427	1.7
189.09096	3.2
197.09641	28.1
199.07550	2.6
199.11197	7.9
200.08307	8.4
201.05452	2.9
201.09146	22.1
203.07071	9.1
214.09825	1.9
215.07100	5.5
215.10690	100.0
216.10960	1.5
217.08607	2.1
217.12209	1.2
219.10182	3.8
225.09116	9.0
233.11726	1.3
243.10175	38.5
243.13834	16.3
243.25162	1.3
261.11249	30.8
261.14560	2.4
261.26199	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	261.1121
Annotation	8-Deoxylactucin
Peak:m/z	Relative Intensity
53.03933	11.3
53.39773	2.7
55.01865	8.9
57.03435	2.4
57.11618	2.6
65.03933	10.3
67.01859	3.7
67.05511	22.9
69.03436	22.5
69.91994	2.5
71.04996	3.2
79.05491	25.4
81.03396	5.6
81.07046	11.7
83.04981	6.0
91.05482	59.1
93.03401	4.6
93.07030	18.5
95.01317	3.3
95.04970	35.0
95.08600	5.5
95.95772	2.6
97.02884	19.7
97.06492	4.7
103.05444	10.2
105.07027	36.5
107.04966	21.8
107.08566	4.0
109.02851	4.5
109.06511	11.2
109.10130	4.1
115.05469	17.0
117.07028	27.8
119.04940	5.2
119.08586	27.0
121.06521	28.7
123.04412	6.5
123.08062	6.7
128.06232	35.4
129.06995	29.3
130.07796	7.5
131.04944	4.5
131.08594	15.8
133.06543	12.8
133.10202	3.6
135.04440	20.4
135.08044	5.0
137.06042	4.1
137.09602	4.0
141.06975	26.0
142.07797	9.6
143.08560	30.9
144.05823	2.9
144.09334	5.3
145.06493	23.3
145.10094	16.4
147.08040	30.1
149.05978	5.0
152.06219	4.8
153.07033	18.6
154.07805	34.3
155.08566	24.8
157.06474	9.9
157.10124	6.5
158.07281	9.2
159.08066	12.4
159.11716	9.4
161.09605	6.7
163.03917	7.0
165.06973	5.0
167.08549	5.3
169.06468	4.1
169.10135	43.3
171.08046	27.6
171.11662	3.3
172.08820	6.0
173.06076	3.4
173.09660	21.3
178.07727	4.3
179.07066	3.4
179.08556	11.6
180.93752	3.2
181.06491	7.7
182.07306	16.9
183.08061	5.5
184.08858	4.1
185.09679	4.6
187.07542	4.3
187.11166	18.0
189.09084	7.3
197.09625	42.5
199.07545	9.8
199.11243	4.8
201.09114	16.9
213.09264	4.1
215.10716	41.4
217.08597	12.3
225.09128	15.9
233.11757	3.5
236.85226	2.6
243.10181	33.7
261.11237	100.0
265.40637	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	261.1122
Annotation	8-Deoxylactucin
Peak:m/z	Relative Intensity
52.39246	2.0
53.03944	7.8
55.01875	12.3
55.05507	6.0
65.03929	9.7
67.01855	3.7
67.05513	25.3
69.03435	30.3
69.07055	2.8
69.78646	7.2
69.79043	4.3
79.05486	27.3
81.03408	8.6
81.07072	11.4
83.04972	8.9
85.02888	3.0
91.05482	57.1
93.03383	3.4
93.07043	26.2
95.04983	30.5
95.08604	8.0
97.02898	19.9
97.06523	4.9
103.05460	8.4
105.07028	42.0
107.04964	20.7
107.08620	4.4
109.02892	3.9
109.06519	11.1
109.10155	3.0
111.04445	6.1
115.05459	15.6
117.07029	37.6
119.04948	9.5
119.08605	25.8
121.02894	3.2
121.06501	33.1
122.07272	2.6
123.04404	10.9
123.08067	10.8
128.06224	41.6
129.07013	39.8
130.07800	10.3
131.04892	4.3
131.08585	25.4
132.05699	3.2
133.06496	8.7
133.10071	4.8
134.41211	2.2
135.04434	21.2
135.08054	8.0
137.05960	6.4
137.09642	2.9
139.03879	4.7
141.06984	28.5
142.07768	10.3
143.08571	43.3
144.05716	4.2
144.09335	7.6
145.06496	25.1
145.10126	21.5
146.07272	2.3
147.04425	4.4
147.08060	30.2
149.05974	6.1
152.06210	4.8
153.07018	27.2
154.07784	49.6
155.06047	2.5
155.08566	39.3
156.09422	6.4
157.06516	10.4
157.10147	5.6
158.07265	9.5
159.04417	3.3
159.08049	14.5
159.11664	12.2
161.06013	6.8
161.09645	9.3
163.03908	7.8
163.07532	4.0
165.05617	3.8
165.06978	7.8
166.07747	4.7
167.08614	11.5
169.06491	6.5
169.10133	56.7
171.08055	31.7
171.11714	5.0
172.08788	6.4
173.05971	7.1
173.09642	31.5
174.06728	2.0
175.07498	4.3
175.11162	3.1
178.07785	6.2
179.08565	13.9
181.06508	7.0
182.07266	19.6
183.08043	10.1
184.08784	2.5
185.09615	6.3
187.07573	5.8
187.11188	25.9
189.09123	6.4
197.07829	4.6
197.09627	61.5
199.07506	7.8
199.11147	5.1
201.05437	2.9
201.09137	19.4
213.09128	5.6
215.10677	55.1
217.08601	9.0
217.12218	3.3
219.10178	3.2
225.09111	19.3
233.11816	4.4
243.10187	45.8
261.11246	100.0
262.11594	2.2
262.23697	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37862	1.0
52.11487	1.1
53.03957	2.8
55.01871	2.1
55.05515	48.9
56.05033	3.1
58.09945	1.0
59.05011	10.9
63.44677	1.0
67.05502	2.9
68.60430	1.2
69.03435	6.2
69.80906	3.1
69.81293	2.9
70.06615	1.5
71.04986	2.7
72.08150	2.7
79.05496	2.1
81.03415	1.1
81.07061	4.3
81.65302	1.0
83.04989	56.0
84.04532	1.7
84.08150	2.5
85.02895	2.2
86.09710	2.8
86.88558	1.1
86.99078	1.5
87.04473	4.4
91.05474	3.9
93.07034	2.3
95.05012	1.5
97.02906	2.2
98.97562	1.4
101.06029	68.4
105.07027	2.0
107.04939	1.1
107.08620	1.8
109.06511	2.4
111.04450	100.0
115.03888	7.7
116.01678	1.7
117.07059	1.4
119.08619	1.7
120.08087	2.2
128.06219	1.3
129.04507	2.4
129.05489	46.3
130.06548	8.0
131.08591	3.4
132.04523	2.0
135.08093	1.9
141.07037	1.5
143.08524	2.1
144.08130	2.6
145.06438	1.6
146.06046	2.5
147.04527	1.3
147.06551	15.4
151.07536	2.0
153.07082	1.4
154.07799	1.9
156.10262	1.2
157.07602	3.1
158.06033	7.6
158.08026	1.6
169.10135	1.3
171.08096	1.8
171.11766	1.1
173.09570	3.2
177.09193	1.4
191.10710	1.3
197.08116	19.7
197.09663	2.0
201.09152	2.3
201.12834	1.3
215.09146	77.2
243.08475	1.8
243.13771	1.4
261.07211	1.7
261.09616	3.9
261.11856	2.1
261.14917	1.5
272.40973	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1607
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
55.05505	3.4
56.05033	10.4
56.96566	8.9
63.28862	1.2
69.03413	3.0
69.07059	4.2
70.06592	2.8
70.60694	4.1
72.08142	1.3
83.06109	70.6
84.04507	97.6
84.08150	50.0
85.02895	4.3
86.09710	100.0
87.04477	1.6
87.72531	1.3
97.02889	2.5
98.97591	7.8
101.07142	9.3
102.05537	1.6
110.06059	1.7
110.97580	2.3
111.04449	2.1
116.98619	2.1
129.06613	5.4
129.10281	8.2
130.05000	2.4
130.06519	1.8
130.08635	4.1
132.10214	37.0
141.06628	1.9
146.17482	1.5
147.07629	1.9
147.11267	5.7
147.38298	1.3
152.10713	1.4
157.07649	1.5
157.13364	3.2
158.99673	2.2
196.14456	11.0
197.12866	38.2
204.13908	1.4
216.30447	1.4
219.01736	2.2
225.12370	1.9
237.00708	1.6
237.02780	3.3
242.15005	83.1
243.13416	38.9
243.17078	4.1
255.03894	1.6
260.15915	2.5
260.19638	7.7
278.72177	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0309
Annotation	Cyclophosphamide
Peak:m/z	Relative Intensity
56.96563	1.3
70.33422	0.6
72.11971	0.2
78.10744	0.2
78.63981	0.2
81.03416	0.2
82.99823	0.9
84.96039	0.3
98.21502	0.2
98.97588	5.3
101.00887	5.7
102.00975	0.4
110.97571	0.2
116.98620	2.0
119.01926	6.2
120.01956	0.2
134.99763	0.5
137.02965	0.7
140.98819	1.0
143.00177	0.4
143.01978	0.2
158.99879	3.7
161.01285	0.2
161.02882	0.3
165.99619	0.4
173.02904	0.2
175.03108	0.2
177.00961	12.3
178.01056	0.5
182.99887	1.1
184.36273	0.2
185.03000	0.2
189.00600	0.2
199.03035	0.3
199.23602	0.2
201.00940	4.8
217.04103	3.0
219.02019	18.4
220.02219	0.5
221.01794	0.4
225.00853	2.3
237.02794	0.3
237.98712	2.6
238.98334	0.7
243.02013	14.8
244.02165	0.5
261.03073	100.0
262.03226	4.1
263.03333	0.3
275.04596	0.2
278.97568	0.2
279.00620	1.8
284.04785	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.8
55.01870	2.2
55.05515	18.0
57.07091	10.2
58.06596	11.1
59.06936	3.0
62.06083	2.3
65.03941	3.0
66.04745	1.8
67.01852	1.9
67.05507	35.1
69.03409	2.1
69.07074	32.9
69.54317	3.5
69.54716	10.7
71.08622	3.9
77.03909	1.6
79.05502	31.0
81.07060	77.3
83.08629	12.3
91.04976	2.9
91.05486	32.1
93.07048	48.3
95.04956	5.6
95.08614	73.7
97.02932	1.6
97.06549	10.9
97.10159	7.3
98.27744	1.7
103.05460	3.7
105.07040	48.6
107.04954	3.3
107.07869	3.1
107.08598	48.1
109.06532	2.6
109.09391	2.2
109.10155	45.6
110.10469	1.9
110.49075	1.7
111.11708	1.6
115.05459	5.8
117.07023	12.3
119.06024	1.5
119.07809	2.6
119.08595	30.6
121.06516	3.7
121.10147	33.3
121.33257	1.6
123.04417	1.8
123.11700	19.0
128.06233	11.6
129.07007	11.6
131.08577	14.3
133.06509	2.4
133.10144	28.2
135.04469	2.3
135.08104	2.8
135.11690	28.5
137.05959	2.1
137.13269	4.5
141.06979	6.8
142.07790	12.3
143.08549	13.7
144.05733	2.2
145.06477	4.6
145.10124	9.4
147.08034	3.3
147.11693	29.4
149.13263	36.7
151.14812	2.0
152.06256	3.6
153.06987	4.1
154.07745	3.5
155.08524	2.5
156.09462	2.1
157.06488	2.3
157.10155	16.9
159.04436	2.0
159.07996	3.6
159.11723	10.4
161.02379	2.0
161.06020	4.1
161.09602	2.4
161.13290	20.1
162.13716	1.6
163.03905	5.3
163.14833	24.2
165.05435	1.7
165.06946	2.8
167.08577	8.9
169.06534	3.0
169.10228	3.4
170.07326	3.6
171.08075	10.1
171.11720	5.9
173.02359	4.0
173.13263	8.6
175.07535	2.8
175.14827	18.5
177.16406	8.6
179.08369	1.7
183.08009	2.3
185.09615	12.4
185.13197	5.1
187.07571	3.6
189.12730	3.9
189.16388	16.8
195.08025	7.5
197.05969	1.7
198.06657	3.0
199.07584	6.8
199.14841	10.1
201.05421	3.7
203.10558	3.3
203.17964	26.8
213.09129	18.4
213.16391	3.5
215.07005	8.9
217.08551	3.7
217.19466	4.3
220.39964	1.8
228.13904	3.6
231.10210	4.2
231.21112	3.4
241.08556	14.9
241.19513	4.9
259.09698	23.5
259.13339	5.0
259.16995	9.2
259.20602	24.4
259.24197	100.0
259.28293	25.7
259.30966	3.6
260.24414	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	259.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.01862	1.0
55.05274	0.8
55.05513	11.1
57.07086	4.1
65.03941	0.8
67.05506	12.7
69.03420	1.1
69.07071	33.6
71.04996	21.2
71.08607	1.0
71.51930	1.5
71.52322	1.3
79.05500	8.8
81.06598	1.2
81.07058	18.5
83.04982	5.6
83.08621	8.8
85.06543	19.9
85.10202	0.9
91.05479	15.4
93.07054	15.3
95.04986	3.9
95.08615	20.6
97.06525	7.1
97.10149	2.1
97.33064	0.7
99.08096	1.7
105.03387	4.8
105.07037	34.0
107.08607	19.9
109.06506	7.0
109.10162	14.9
111.08102	9.3
115.05476	1.8
116.06174	1.0
117.07026	9.4
119.08590	53.4
120.09373	2.1
121.06493	1.3
121.10147	13.6
123.08058	2.9
123.11710	21.2
128.06224	2.4
129.01930	1.6
129.07011	3.6
130.07748	2.4
131.08582	20.2
133.10141	33.0
135.08063	10.8
135.11690	7.1
137.09644	4.1
139.83336	0.8
141.07050	1.2
142.07809	3.3
143.08565	10.4
144.09358	3.8
145.10135	36.0
146.10802	0.8
147.08063	1.9
147.11693	22.3
149.09610	2.2
149.13264	1.8
151.11198	2.2
153.07043	1.0
156.09340	4.7
156.66479	0.8
157.06441	1.0
157.10143	12.7
159.11705	34.7
160.12453	3.2
161.09665	3.7
161.13266	32.6
163.03976	0.9
163.11227	2.6
163.14781	1.3
170.10962	1.9
171.11707	15.6
173.02376	1.4
173.09796	0.8
173.13272	11.0
175.11427	4.5
175.14839	80.4
176.15601	5.2
177.12741	4.9
177.16374	5.3
185.09691	1.5
185.13271	16.9
186.13974	0.9
187.14821	1.2
189.12746	4.1
189.16396	7.0
190.13606	4.0
191.14337	2.4
197.13263	0.7
199.14754	5.3
201.16397	25.5
201.61411	0.8
203.10710	1.4
203.14340	10.1
213.09241	1.5
213.16396	2.3
215.17914	5.6
217.15907	1.4
217.19542	4.0
229.15877	1.3
231.17554	1.0
241.08585	1.2
241.19545	19.9
244.18126	0.9
259.09454	1.3
259.20599	100.0
260.20914	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	10.3
57.07070	3.6
62.00193	2.1
67.05496	7.3
69.07072	32.8
71.04993	20.4
79.05504	7.3
81.07056	17.5
83.04984	4.3
83.08612	5.3
85.06544	20.1
86.66856	1.8
91.05491	11.3
93.07037	14.0
95.04963	2.7
95.08612	17.7
97.06547	4.6
97.77742	1.7
98.20802	4.7
105.07045	26.8
105.14219	1.9
106.07265	2.5
107.08595	21.2
109.06524	7.3
109.10154	14.5
111.08084	9.4
117.07011	6.1
119.07816	3.2
119.08591	49.1
120.09435	2.5
121.10162	11.2
122.18976	2.0
123.08067	2.2
123.11704	22.7
128.06172	2.8
129.01855	1.9
129.06999	3.3
130.07816	3.2
131.08597	12.4
132.88896	1.7
133.10139	31.5
135.08029	11.6
135.11705	5.5
137.09618	3.6
142.07765	2.9
143.08553	7.1
144.09338	2.1
145.10124	30.3
147.11693	16.2
149.09645	6.2
149.13286	3.1
156.09427	2.3
157.10094	14.1
159.11699	33.0
161.09596	3.2
161.13272	32.4
163.11191	2.2
170.10851	2.6
171.11700	15.1
173.13275	8.7
175.11261	4.4
175.14836	83.0
176.15602	3.7
177.12721	5.4
177.16400	2.0
178.56488	1.8
185.13246	10.4
189.12729	5.2
189.16411	5.8
191.14217	2.6
199.14825	5.0
201.16391	22.4
203.14291	7.6
215.17969	7.8
217.19571	4.7
219.63510	1.8
241.19536	15.5
259.20593	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03926	1.9
55.05517	12.0
57.07069	3.0
67.05502	11.2
69.03417	1.7
69.07071	25.9
71.05003	19.1
79.05501	6.3
81.07078	14.6
83.04986	3.5
83.08622	7.5
85.06553	21.2
91.05490	13.5
93.07072	13.7
95.04975	2.2
95.08611	17.8
97.06525	5.2
98.20766	5.5
98.60773	1.7
105.07048	26.9
107.08614	14.4
109.06525	5.5
109.10149	14.1
111.08069	7.7
117.07018	7.0
119.08592	47.2
120.09263	2.3
121.10136	13.5
123.07998	2.7
123.11714	22.1
129.07025	3.4
130.07817	2.4
131.08563	14.8
133.10133	34.6
133.92613	1.9
135.08047	11.1
135.11696	5.0
137.09636	4.8
142.07784	2.3
143.08574	7.0
145.10138	32.8
147.11707	16.8
149.09663	1.9
151.11060	2.0
156.09386	2.7
157.10170	11.6
159.11702	30.1
160.12497	2.5
161.13254	31.0
163.11206	2.5
170.10893	1.8
171.11708	16.9
173.13307	7.9
175.11174	4.1
175.14839	80.7
176.15591	3.3
177.12700	3.4
177.16412	3.4
185.13298	14.6
186.14093	2.0
189.12753	3.9
189.16393	6.3
190.04459	2.0
190.13419	3.0
199.14787	4.4
201.16409	26.3
203.14354	11.3
215.17926	4.2
217.19556	4.1
224.96404	2.0
241.19533	18.4
259.20596	100.0
260.21045	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	259.0968
Annotation	Lunularic acid
Peak:m/z	Relative Intensity
53.03938	0.8
53.98639	0.7
55.01883	3.9
55.05507	1.3
57.03440	1.8
67.05497	4.3
69.03435	1.4
69.07073	14.0
69.43240	4.0
69.43656	1.7
77.03912	1.1
79.05495	15.5
81.07058	1.0
89.03930	6.9
91.05477	1.0
93.07079	0.7
95.04984	1.3
95.08639	0.7
97.06535	100.0
98.06884	0.7
105.03393	1.4
105.07013	1.2
107.04961	1.5
109.10133	0.7
117.03403	7.1
126.87067	0.6
131.04933	1.1
133.02856	6.0
135.04427	7.3
145.02892	5.3
145.10130	1.2
147.04422	1.1
157.06543	0.8
157.10121	1.1
159.04414	5.8
159.11699	1.7
161.02351	21.7
163.03908	38.2
164.89522	0.7
169.06412	0.7
171.11908	0.6
171.71672	0.7
173.02350	43.3
173.13278	0.7
175.03827	1.0
185.06061	1.8
185.13232	1.1
186.03062	1.2
187.03975	1.7
187.07570	1.5
201.16379	0.8
213.08954	0.9
215.07033	44.8
216.45741	0.7
241.08719	2.2
259.09650	17.5
259.20581	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0968
Annotation	2-Naphtylmethylsuccinic acid
Peak:m/z	Relative Intensity
53.03940	7.0
55.01862	8.2
55.05503	8.1
57.07067	8.0
62.06063	5.4
65.03934	6.2
67.01869	11.1
67.05517	16.0
69.03436	10.1
69.07062	6.5
69.81313	11.9
71.08608	3.3
74.39609	1.9
79.05495	32.5
81.03434	5.7
81.07064	17.5
83.01328	2.7
83.04981	3.9
83.08612	3.2
91.05483	48.6
93.03421	2.9
93.07063	17.1
95.04971	28.3
95.08590	9.4
97.06529	19.6
103.05456	10.2
105.03380	3.9
105.04522	3.4
105.07037	38.4
107.04959	15.0
107.08603	12.1
109.06515	6.0
109.10157	7.2
111.04469	6.4
115.05460	30.0
116.06257	8.4
117.07014	22.4
118.41248	2.6
119.04951	8.2
119.08566	14.5
121.02892	2.5
121.06520	22.4
121.10096	5.2
122.07301	6.4
123.04411	2.6
127.05418	6.0
128.05278	3.8
128.06229	64.8
129.07018	43.1
130.07800	6.8
131.04950	8.5
131.08583	43.7
133.06525	13.1
133.10165	11.0
135.04422	25.6
135.08060	7.6
137.05978	3.5
140.03305	2.3
141.06996	39.6
142.07793	57.1
143.08565	49.7
144.05731	7.3
144.09361	3.3
145.02829	2.7
145.06467	21.9
145.10132	17.0
146.07275	7.9
147.04399	2.9
147.07993	12.7
147.11696	9.3
149.05992	7.5
149.13197	3.9
152.06219	15.9
153.07018	14.2
154.07796	15.2
155.04904	3.5
155.06064	6.3
155.08569	8.9
157.06526	13.2
157.10127	41.3
158.07283	6.6
159.04417	7.8
159.08061	44.4
159.11700	7.6
160.08832	4.7
161.02339	3.7
161.05956	15.4
161.09622	12.5
161.13297	2.8
162.06760	4.9
163.03972	14.1
163.07533	3.5
165.06996	9.6
166.07806	4.9
167.08574	28.4
167.38216	2.3
168.09319	2.3
169.06511	19.0
169.10129	9.3
170.07274	18.5
171.08051	45.1
171.11697	4.0
172.08810	8.2
173.02371	8.9
173.06015	7.5
173.09584	5.0
174.06659	3.6
175.07593	5.9
175.11191	6.2
177.05508	3.8
181.06522	3.0
181.42616	2.3
182.07310	4.6
183.08107	3.7
185.06029	4.7
185.09631	75.1
185.13210	3.6
186.10446	4.4
187.07559	56.7
187.11174	9.1
188.08347	3.9
189.05409	2.8
189.09123	16.4
191.07014	6.4
195.08070	20.1
197.06006	7.0
197.09599	7.4
198.06747	11.5
199.07515	25.1
199.14891	3.7
201.05446	4.2
201.09181	2.7
201.16435	2.5
203.10738	15.1
209.69173	2.2
213.09128	87.2
213.16490	4.3
215.07056	51.2
215.10596	18.6
216.07648	3.6
217.08629	14.0
223.07564	7.6
230.09404	2.8
231.10153	21.2
241.08629	48.1
241.19537	5.9
258.27939	26.6
259.09671	100.0
259.13251	7.8
259.17163	13.1
259.20605	23.3
259.24060	5.6
259.28220	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	259.0967
Annotation	2-Naphtylmethylsuccinic acid
Peak:m/z	Relative Intensity
53.03940	5.5
55.01861	7.7
55.05508	7.4
57.07059	7.3
62.06086	5.3
65.03931	10.7
67.01869	14.1
67.05193	3.1
67.05509	29.0
69.03419	7.7
69.07065	4.6
70.68574	6.0
70.68928	4.0
71.08645	3.1
71.17726	2.4
77.03934	3.8
78.71245	2.2
79.05154	2.2
79.05507	28.4
80.09734	2.8
81.03410	3.8
81.07054	10.0
83.04982	14.9
91.05490	44.0
93.03396	3.4
93.07047	16.0
95.04984	23.4
95.08595	5.4
97.02903	4.7
97.06536	19.6
102.02573	2.8
103.05463	13.1
105.03387	5.7
105.04534	3.7
105.07041	35.0
107.04960	19.5
107.08582	8.7
109.06533	5.4
111.04463	6.4
115.05442	28.6
117.07027	28.2
119.04931	8.3
119.08616	13.6
121.02912	2.9
121.06512	31.2
122.07265	7.0
123.04403	6.9
128.06233	50.0
129.07024	41.7
131.04959	6.1
131.08571	32.8
133.02866	4.7
133.06490	11.1
133.10129	9.5
135.04428	24.5
135.08025	11.1
141.06998	28.8
142.07796	53.7
143.08572	40.4
144.05725	7.3
144.09283	3.5
145.06470	24.3
145.10138	11.6
146.07253	5.3
147.04436	4.7
147.08049	10.6
147.11687	4.9
149.05992	4.0
151.03972	4.1
152.06189	20.3
153.06999	15.5
154.07800	15.8
155.04948	3.3
155.06081	5.1
155.08559	8.4
157.06514	14.1
157.10135	40.7
158.07361	3.6
159.04451	6.5
159.06819	3.9
159.08066	33.5
159.11655	7.2
160.08774	4.4
161.02312	2.9
161.06026	22.0
161.09596	11.8
161.13272	3.6
163.03906	18.3
163.07588	3.4
165.05736	2.5
165.07028	12.1
166.07748	3.9
167.08566	33.9
169.06479	14.4
169.10135	9.0
170.07274	19.6
171.06696	3.1
171.08066	49.0
171.11769	3.0
172.08809	3.3
173.02357	6.7
173.05963	8.3
173.09598	4.9
174.06735	3.3
175.07544	3.0
175.11172	6.7
179.08566	3.6
181.06525	3.9
182.07243	5.8
183.08049	5.0
183.25716	2.6
185.08044	4.9
185.09631	84.1
185.13278	3.0
186.10188	3.1
187.03937	4.3
187.07541	38.2
187.11197	8.5
189.05444	3.5
189.09123	12.0
191.07031	3.6
195.08098	25.8
197.05981	4.5
197.09650	7.1
198.06789	13.7
199.07510	22.6
201.05470	3.2
203.07034	3.2
203.10637	11.3
213.09117	80.2
214.09628	3.1
215.07048	33.6
215.10547	13.0
217.08603	19.5
223.07507	5.2
227.10526	3.3
231.10144	19.8
241.08583	64.0
241.19507	4.3
258.27942	37.0
259.09653	100.0
259.13391	8.8
259.16953	6.5
259.20752	14.7
259.28226	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	259.0967
Annotation	2-Naphtylmethylsuccinic acid
Peak:m/z	Relative Intensity
53.03934	8.1
54.68647	2.0
55.01869	14.3
55.05507	10.5
57.07065	10.0
59.48707	2.2
62.06071	7.3
65.03944	27.3
67.01868	26.1
67.05190	4.3
67.05510	58.6
68.99778	4.4
69.03415	10.6
69.07060	6.5
70.71474	2.3
71.01354	3.0
71.08635	3.8
71.99323	2.4
77.03925	3.8
79.05496	37.0
81.03408	6.0
81.07046	10.4
81.40324	2.3
83.04987	21.4
89.47540	2.1
90.12422	2.2
91.05487	55.0
93.03420	11.3
93.07046	24.1
95.01327	2.8
95.04980	22.5
95.08601	4.6
97.02881	6.4
97.06538	25.3
103.05460	10.1
105.03401	3.1
105.04465	3.1
105.07038	42.0
107.04958	26.8
107.08621	14.6
109.06508	6.9
111.04442	10.3
115.05468	26.0
116.06215	7.8
117.07011	23.6
119.04935	11.2
119.08586	21.4
121.06512	66.3
121.10110	2.7
122.07288	9.0
123.04459	15.2
123.05213	2.2
123.20528	2.5
128.06227	50.2
129.07002	50.0
130.07776	4.5
131.04909	5.7
131.08574	39.2
132.05699	4.3
133.02800	3.7
133.06491	12.0
133.10124	12.2
135.04414	20.8
135.08073	14.7
141.06990	34.3
142.07793	78.1
143.08569	37.9
144.05733	12.6
144.09363	3.5
145.02858	2.4
145.06470	26.2
145.10100	11.3
146.07216	5.9
147.04410	9.9
147.08040	10.3
147.11705	3.8
149.05980	10.3
152.06241	20.7
153.07011	13.3
154.07768	13.4
155.06032	5.4
155.08569	10.0
157.06453	11.3
157.10129	42.2
158.07321	6.5
159.04445	4.5
159.08072	50.9
159.11664	5.1
161.05989	18.2
161.09605	9.3
163.03943	12.4
163.07396	3.8
165.06995	17.4
166.07776	6.1
167.08591	35.7
169.06451	14.1
169.07721	2.7
169.10179	8.0
170.07286	20.3
171.08078	36.9
171.11787	3.1
172.08763	4.0
173.02353	11.6
173.05959	8.3
173.09633	7.0
174.06798	2.8
175.11230	6.0
181.06470	5.3
183.08028	5.1
185.06036	4.2
185.09633	78.1
187.07570	32.3
187.11192	2.9
189.05510	3.1
189.09122	8.7
194.47255	2.5
195.08057	26.3
197.06032	5.0
197.09508	4.5
198.06728	12.4
199.07524	18.0
199.14844	10.5
201.09123	3.4
203.10693	8.6
211.83516	2.6
213.09126	76.3
213.12683	2.9
215.07117	24.3
215.10628	6.8
217.08661	11.8
223.07661	3.8
229.08481	3.6
230.09431	2.9
231.10161	22.0
241.08624	39.4
241.19434	3.6
258.27939	52.1
259.09668	100.0
259.13202	6.4
259.16962	6.4
259.20560	15.0
259.28281	28.4
260.10046	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	259.0966
Annotation	2-Naphtylmethylsuccinic acid
Peak:m/z	Relative Intensity
53.03945	3.7
55.01865	10.4
55.05509	4.3
65.03933	6.3
67.01863	6.6
67.05502	5.9
69.03449	4.4
69.64427	10.4
69.64854	11.1
78.11993	2.9
79.05483	14.5
81.03398	3.1
83.01395	3.1
83.04916	3.2
91.05485	32.0
93.03365	3.5
93.07037	8.9
95.04976	16.0
97.06503	5.3
103.05466	13.9
103.75768	2.8
105.07045	20.4
107.04944	8.8
109.06556	3.5
112.21783	2.8
115.05443	25.0
117.07026	16.0
119.04971	18.1
119.08575	5.3
121.02847	3.9
121.06526	7.7
121.17159	3.0
127.05453	6.1
128.06233	53.0
129.07022	40.8
130.07774	3.5
131.04887	4.6
131.08560	15.9
133.06490	14.9
135.04396	6.5
137.05972	4.0
141.06978	26.1
142.07787	57.4
143.08578	38.2
144.05666	3.8
145.06557	15.6
145.10106	6.8
147.04437	5.4
147.08017	7.9
149.06085	3.8
152.06232	32.8
153.06999	19.6
154.07791	20.5
155.04939	5.2
155.06047	8.8
155.08539	9.1
157.06509	17.5
157.10135	35.5
157.68268	3.0
158.07327	4.6
159.04417	8.7
159.08047	17.4
161.06018	25.3
161.09555	4.3
165.05522	3.3
165.06993	14.1
166.07788	4.7
167.08569	34.0
168.56137	3.2
169.06506	9.1
169.07764	4.2
169.10150	13.2
170.07222	15.3
171.04420	3.4
171.08061	70.9
173.02338	4.1
173.06027	5.7
173.09615	6.0
179.08534	4.6
181.06488	7.6
182.33659	2.9
183.07996	6.2
185.06053	4.0
185.09624	63.2
187.03922	9.4
187.07562	8.7
187.11227	4.0
189.09074	5.6
195.08047	39.7
196.21387	3.4
197.09607	7.8
198.06787	13.8
199.07568	38.5
201.05504	12.4
203.10562	5.3
213.09109	98.7
214.09741	3.5
215.07065	3.4
215.10612	5.4
217.08543	16.2
223.07500	12.8
226.06302	3.7
231.10165	12.6
241.08614	100.0
242.08817	3.5
250.67773	3.4
259.09671	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0968
Annotation	Ephemeranthol C
Peak:m/z	Relative Intensity
53.03941	2.6
55.01878	7.4
55.05519	1.5
57.03426	1.6
65.03936	1.1
67.01866	2.1
67.05511	5.8
67.95163	1.0
69.03423	2.6
69.07076	14.7
69.59640	1.2
69.60323	5.1
71.04981	1.5
73.81438	1.0
77.03937	1.5
79.05505	15.7
81.03403	1.2
83.05005	1.2
89.03925	7.0
91.05483	5.3
93.07038	1.5
95.04965	4.8
97.06543	100.0
98.06870	1.0
103.05466	2.4
105.03374	1.4
105.07021	3.1
107.04947	4.2
107.08621	1.1
115.05444	3.3
117.03392	7.7
117.07020	2.4
119.04926	1.7
119.08572	1.2
121.06492	4.8
122.07289	1.3
123.04428	1.2
128.06232	5.2
129.06992	3.3
129.94676	1.2
131.04927	1.3
131.08575	2.2
133.02841	6.0
133.06439	1.8
135.04449	13.7
135.08089	1.1
141.07025	4.2
142.07800	6.2
143.08562	4.1
144.05708	1.8
145.02866	7.9
145.06514	3.0
147.04395	2.1
147.08138	1.0
152.06233	1.7
153.06984	1.1
155.08612	1.4
157.06468	2.0
157.10158	3.3
159.04460	6.4
159.08049	4.0
161.02361	14.8
161.06020	1.5
161.09578	1.1
163.03932	44.0
165.06993	1.2
167.08583	3.4
169.06497	2.9
170.07266	1.9
171.08049	5.5
173.02368	50.6
174.02754	1.1
185.05937	2.2
185.09700	6.5
186.03079	1.9
187.03967	1.3
187.07507	3.5
189.05528	1.3
189.09157	1.9
195.08125	2.6
199.07608	1.8
213.09171	10.1
215.07057	44.8
231.10170	3.8
241.08673	5.4
259.09711	26.2
264.60535	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0966
Annotation	2-Naphtylmethylsuccinic acid
Peak:m/z	Relative Intensity
53.03946	6.9
55.01865	10.0
55.05503	6.5
57.03422	3.5
62.84111	3.3
65.03940	12.6
65.77798	3.3
66.47086	3.1
67.01859	12.8
67.05506	18.4
69.03419	9.6
69.07064	7.9
69.29137	26.4
69.29549	6.6
72.72401	3.1
79.05492	27.6
83.01340	6.3
83.04994	6.7
91.05484	40.5
93.03412	4.8
93.07049	12.9
95.04984	19.8
97.02884	5.2
97.06532	66.1
99.28184	3.3
101.51503	3.7
103.05478	11.9
105.03418	4.8
105.07021	26.2
107.04978	12.7
107.08616	8.4
115.05453	24.4
116.06228	5.0
117.03394	10.1
117.07005	20.1
119.04935	15.1
119.08587	8.5
121.06495	25.9
122.07296	3.8
123.04469	5.7
128.06226	57.0
129.07018	38.2
130.07777	4.8
131.04904	8.5
131.08575	15.7
133.02826	4.2
133.06512	13.6
135.04480	17.2
135.08099	4.8
137.06007	4.1
141.06987	33.9
142.07785	56.2
143.08562	31.5
145.06480	24.0
145.10120	9.0
146.07210	4.5
147.04419	8.1
147.08043	7.7
152.06201	26.7
153.07016	21.9
153.87636	3.6
154.07718	18.8
155.06012	7.0
155.08583	12.8
157.06509	10.1
157.10132	32.0
158.07286	7.1
159.04427	9.5
159.08035	26.4
159.11583	3.5
161.02319	10.8
161.05968	16.2
161.09613	11.3
163.03914	27.3
165.06938	16.3
166.07793	5.2
167.08580	46.6
169.06499	11.2
169.10150	13.6
170.07245	22.6
171.08046	65.5
173.02351	35.5
173.06042	6.1
173.09616	7.4
175.11063	4.2
179.08601	5.0
183.08015	5.2
185.06056	9.7
185.09615	80.4
187.03938	7.4
187.07576	15.1
187.11298	4.9
189.09148	7.5
195.07996	32.5
196.08736	3.6
197.09596	8.2
198.06787	14.9
199.07549	33.2
199.11186	6.7
201.05542	7.6
203.10698	7.6
213.09100	100.0
215.07039	33.6
215.10634	5.4
217.08589	19.6
223.07542	9.9
231.10069	20.6
241.08595	96.0
259.09647	98.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0968
Annotation	2-Naphtylmethylsuccinic acid
Peak:m/z	Relative Intensity
51.02388	2.2
51.87482	1.7
53.03939	8.2
55.01875	12.8
55.05503	3.8
65.03944	17.2
67.01870	18.1
67.05508	32.8
69.03436	8.6
71.04992	2.1
79.05505	26.6
81.03422	3.4
81.07043	3.0
83.01340	2.7
83.04979	11.4
88.30333	1.7
91.05489	45.3
93.03416	7.3
93.07050	15.8
95.04980	20.3
95.08602	1.9
97.02903	4.0
97.06534	5.3
98.21517	4.7
103.05477	16.2
104.35158	1.7
105.03428	4.1
105.04522	4.5
105.07041	35.4
107.04973	20.7
107.08595	5.1
109.02877	2.3
109.06501	3.4
111.04446	6.3
114.42951	2.4
115.05454	27.1
116.06225	4.2
117.03425	1.9
117.07034	20.4
119.04947	7.9
119.06164	1.7
119.08621	8.7
121.02835	2.0
121.06503	35.7
122.07290	6.5
123.04433	7.4
127.05402	2.1
128.05276	3.0
128.06226	48.4
129.07022	37.2
130.07788	3.1
131.04939	10.2
131.08592	18.9
133.02792	2.0
133.06505	16.9
133.10149	3.5
135.04411	18.0
135.08069	7.8
137.06070	2.0
141.06989	26.2
142.07794	52.8
143.04881	1.9
143.08580	37.0
144.05710	9.2
145.06506	26.1
145.10153	6.2
146.07265	4.5
147.04419	6.9
147.08031	6.5
149.05977	8.7
151.03891	2.0
152.06230	20.1
153.07021	13.6
154.07771	12.6
155.04970	3.6
155.06067	4.0
155.08594	9.7
157.06519	15.2
157.10147	36.1
158.07193	2.3
159.04413	6.7
159.08058	31.2
160.08888	3.2
161.06003	41.5
161.09651	7.0
163.03949	5.7
163.07620	4.0
165.07018	13.4
166.07784	4.1
167.08569	36.1
169.06476	10.8
169.10156	10.8
170.07265	16.0
171.08058	45.9
172.08855	3.4
173.02325	2.3
173.06009	7.3
173.09630	5.4
175.07631	3.5
175.11223	6.1
177.05499	5.3
181.06511	4.0
182.07240	2.0
183.08173	4.1
185.06001	3.3
185.09628	76.9
187.03903	2.3
187.07533	17.3
187.11159	3.2
189.09195	12.2
195.08069	31.2
197.06036	4.0
197.09642	6.7
198.06769	12.0
199.07530	28.2
201.05470	5.7
203.10687	8.0
213.09123	83.0
215.07008	9.9
215.10675	6.2
217.05087	2.2
217.08618	19.4
223.07559	8.0
226.06361	3.2
229.08658	2.0
231.10143	21.0
241.08603	62.6
259.09689	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0968
Annotation	Okicenone
Peak:m/z	Relative Intensity
53.03934	1.1
55.01876	7.2
57.03456	1.3
65.03938	1.5
65.88388	1.2
67.05505	4.1
69.03434	2.2
69.07076	15.3
69.49098	1.0
69.68488	5.7
71.05018	1.5
79.05505	16.6
89.03898	5.7
91.05479	4.6
95.04975	3.5
97.06542	100.0
103.05459	2.1
105.03401	2.3
105.07033	3.3
107.04947	2.7
115.05467	3.7
117.03384	6.1
117.06990	3.4
119.04925	2.0
128.06229	6.9
129.07022	5.7
131.05020	1.1
131.08568	2.4
133.02864	4.3
133.06566	1.3
135.04420	8.5
141.07018	5.0
142.07823	9.4
143.08571	4.5
145.02867	6.8
145.06499	4.1
145.10118	1.6
147.04401	1.7
152.06235	3.3
153.07048	3.0
154.07803	1.5
157.06534	1.7
157.10161	3.6
159.04430	4.8
159.08118	1.9
161.02382	6.4
161.06007	3.4
162.67334	1.2
163.03923	50.8
164.39273	1.2
165.07034	1.8
167.08603	7.1
169.06564	2.2
170.07265	2.2
171.08064	10.5
173.02368	41.7
173.03896	2.2
173.05884	1.7
175.03995	1.3
185.06056	1.2
185.09668	11.8
187.03903	1.8
187.07677	2.1
187.11189	1.2
195.08134	6.0
197.06003	1.8
198.06725	1.9
199.07544	7.1
201.05496	2.1
213.09128	15.8
215.07063	44.5
215.10468	1.7
217.08717	1.9
223.07568	2.4
226.06264	1.2
231.10265	2.3
241.08633	19.4
259.09695	37.6
259.12894	2.5
262.31882	1.1
268.21536	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0968
Annotation	Isorhapontigenin
Peak:m/z	Relative Intensity
53.03941	1.5
55.01876	6.7
55.05492	1.5
57.03435	1.8
67.05503	3.4
67.73328	0.9
69.07072	20.3
70.63493	0.9
70.63820	2.3
77.03918	1.3
79.05493	17.6
81.07065	1.1
89.03926	8.9
89.52924	0.8
91.05479	1.6
95.04978	1.4
97.06538	100.0
97.26401	0.8
105.03374	1.1
107.04967	2.7
107.35455	0.8
117.03391	11.7
117.07023	1.1
119.08588	1.9
124.57261	0.8
128.06247	1.0
129.07034	1.0
131.08597	1.0
133.02846	4.7
134.03653	5.4
135.04427	16.0
141.07118	0.9
143.08572	1.3
145.02859	15.9
145.06528	0.9
145.10086	1.2
147.04416	1.6
148.49521	0.8
153.05481	3.2
157.06488	1.0
157.10115	1.0
159.04434	2.9
159.11679	1.1
161.02353	8.1
161.13348	0.9
162.03094	0.8
163.03914	84.6
164.04326	1.1
171.04378	1.1
173.02362	40.1
173.05940	1.1
173.13293	1.0
175.03883	1.3
177.05562	1.0
181.10185	1.8
183.08028	1.0
185.05974	2.0
186.03175	1.2
187.03885	1.2
199.07555	1.7
203.07054	1.9
213.09167	2.5
215.00873	0.8
215.07039	37.6
217.05058	1.4
217.08676	1.7
227.10715	2.3
241.08536	1.5
259.09683	23.1
259.13309	9.3
259.20612	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.6
57.07067	1.7
59.72967	0.9
65.73437	0.9
67.05508	26.2
69.07061	8.0
69.84835	4.5
71.96277	1.1
79.05493	12.6
81.06591	1.8
81.07060	33.8
83.08613	3.7
90.37545	0.9
91.05483	13.5
93.07051	23.4
95.04945	1.3
95.08614	33.1
97.10157	3.0
98.21402	1.1
101.87638	0.9
105.07038	21.6
105.07726	1.0
107.08601	21.7
109.09010	1.1
109.10165	28.2
117.07019	4.1
119.07798	1.6
119.08582	16.6
121.10138	16.0
123.11729	7.6
129.06985	0.9
131.08574	7.8
133.10143	16.9
135.11705	25.2
143.08557	1.4
145.10114	8.9
147.11693	21.8
149.13264	17.7
155.08553	1.0
157.10098	1.6
159.11699	6.2
161.13263	27.7
163.14894	4.6
171.11746	1.8
173.07112	2.8
173.13284	6.3
175.14835	34.9
185.13329	1.3
187.14845	13.5
189.16467	2.4
199.14951	1.6
201.16402	14.9
205.57465	1.1
215.17996	2.8
257.15491	2.4
257.19135	5.3
257.22653	100.0
257.30234	2.5
258.22916	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	8.7
69.03428	30.7
70.06596	20.6
71.50227	16.0
73.02917	13.1
74.09704	14.7
75.59879	8.8
81.03391	21.5
85.02918	62.9
94.93013	9.3
96.04476	13.5
97.02889	18.8
101.00854	20.6
115.02451	18.6
119.01885	21.3
127.02382	12.9
127.03932	15.7
133.03526	26.0
140.06854	100.0
141.07199	71.5
143.01913	18.0
143.28435	8.1
145.03464	23.6
157.03535	9.1
158.06680	12.7
161.02951	12.2
168.04449	15.0
173.02933	24.8
174.47214	10.5
176.07726	19.9
191.04005	21.5
218.02907	9.0
221.38849	8.1
233.05063	34.2
251.06084	11.5
258.07495	15.9
258.14743	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93212	2.4
52.20127	2.3
53.03944	3.2
55.01862	10.9
55.05511	4.8
55.93529	4.0
56.05045	5.6
56.96327	3.4
56.96569	29.6
57.03442	23.2
57.09154	2.5
58.06601	2.8
61.02932	18.2
67.05515	5.9
69.03437	50.8
69.07066	4.8
70.06595	18.2
70.98152	3.7
70.99825	3.5
71.04998	11.5
71.30672	2.5
71.49316	2.8
72.08154	9.9
73.02927	20.6
74.06094	4.6
74.09725	5.6
77.00873	2.7
79.05510	3.1
80.29473	2.2
81.03410	17.9
81.07054	3.9
82.06578	4.9
84.04514	14.1
84.08148	50.9
84.96030	3.0
85.02913	100.0
86.03223	2.8
86.09713	9.6
87.04459	6.2
91.03912	2.6
91.05470	3.1
96.04453	3.3
97.02900	49.4
98.97609	29.9
99.04465	9.8
100.02207	7.4
100.99185	2.9
101.00890	27.0
102.00954	3.0
102.02318	6.0
103.00647	3.0
103.02450	3.7
104.10775	4.7
105.00450	2.5
106.07396	2.3
108.04536	2.8
109.02919	8.2
110.01281	5.1
110.07175	5.7
110.97596	8.4
111.02962	3.0
112.05120	2.7
112.07606	3.8
113.00872	15.2
115.02450	5.7
115.03908	4.9
116.02436	2.5
116.98619	14.2
117.04022	2.4
118.08594	2.9
119.01919	49.1
119.03762	5.0
120.02029	7.5
121.01680	8.9
123.02937	2.8
123.04468	4.1
126.04172	2.4
126.05545	5.7
126.06638	4.2
127.02444	17.7
127.03905	25.1
128.02385	7.2
128.98610	8.1
129.10252	36.8
131.01923	26.9
132.02045	5.2
132.03453	3.9
132.05122	4.5
133.03487	15.7
134.99750	4.2
137.02946	7.7
137.04814	3.8
137.05988	3.9
138.03343	3.9
139.02457	3.4
140.06844	4.6
140.98613	2.9
141.04016	2.6
142.03545	2.7
143.00151	4.7
143.01920	9.7
143.03712	3.4
144.05115	3.3
145.01649	7.4
145.03476	58.4
145.04951	12.4
146.02652	7.2
146.03687	6.0
146.99648	7.0
147.03204	9.1
147.04123	4.2
149.03015	2.5
151.04607	3.1
154.03558	2.8
155.01859	8.7
155.04686	4.6
156.02092	3.7
156.03366	12.2
157.03497	15.2
158.06639	15.3
158.99660	9.4
159.03987	4.4
160.06390	4.0
161.02943	16.8
161.04875	4.2
162.03088	2.5
162.05334	3.5
163.02719	5.6
163.04536	5.0
165.04156	2.4
168.03333	4.2
168.05458	10.0
169.03455	2.5
170.03490	4.7
170.06674	4.5
170.99748	3.2
171.01537	2.9
173.01443	3.8
173.02988	31.3
174.03119	6.0
174.04413	9.7
174.99283	4.0
175.00839	3.6
175.02864	3.9
175.04568	7.2
176.03445	4.0
176.07706	38.4
177.00708	7.9
177.02446	4.0
177.06189	14.5
183.05103	3.6
185.02960	9.0
186.04398	19.5
186.06064	4.5
187.04562	5.3
187.10791	3.0
188.07715	4.9
189.00859	4.7
189.02420	5.4
189.04143	2.8
191.02403	5.2
191.04008	33.1
191.05710	3.6
192.05493	3.2
198.02733	3.2
199.00780	3.0
199.04407	4.5
200.04434	3.1
201.00726	3.7
201.02568	3.2
203.04013	9.9
204.05472	8.0
207.01736	5.5
208.99666	2.8
211.55157	3.2
212.07762	6.1
212.67661	2.9
214.05826	3.4
214.09259	3.6
215.04089	3.1
215.98672	3.6
217.00146	4.6
217.01968	9.7
219.01799	4.7
221.03061	5.1
221.05122	5.6
226.05600	7.5
229.05589	3.3
232.99611	2.7
233.05063	39.6
234.05356	3.9
234.99048	5.8
235.01085	4.5
235.03006	4.8
235.04898	5.5
237.02910	4.1
238.05647	5.3
244.06697	6.3
245.05090	10.9
247.95349	2.5
251.06126	6.7
258.05814	3.9
258.08646	7.6
258.09372	7.7
258.14755	9.9
258.23029	5.2
263.06268	3.2
275.06223	3.6
276.03699	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63161	1.1
55.05515	7.9
67.05505	14.5
69.06733	1.3
69.07073	15.6
70.05138	0.9
79.05496	8.8
81.06591	2.0
81.07056	25.9
83.08621	3.9
91.05471	9.9
93.07048	15.5
95.08612	27.5
97.10176	9.8
105.07039	48.6
107.08607	18.8
109.09476	1.6
109.10162	21.4
111.11730	16.3
117.07025	2.0
119.08588	22.7
121.10150	10.3
123.11720	8.5
131.08562	6.2
133.10135	17.9
135.11696	14.4
145.10126	6.4
147.11699	17.5
149.13268	14.4
159.11697	5.2
161.13277	25.5
163.14818	6.0
173.13263	3.9
175.14851	20.0
176.14854	0.9
187.14842	6.2
201.16367	13.2
205.56567	1.1
209.06123	1.0
212.46889	1.1
215.17921	1.6
229.19545	7.1
257.22653	100.0
258.23093	1.7
272.68823	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20630	1.1
53.03971	1.0
55.05513	9.1
62.01286	1.0
67.05516	9.5
69.07079	16.4
69.24528	10.4
75.80869	1.0
79.05508	9.0
81.07067	36.4
83.08620	2.8
84.62318	1.2
87.21196	1.0
87.38520	1.0
91.05501	8.0
93.07064	16.3
95.08619	31.4
95.49070	1.2
97.10178	10.2
105.07043	67.6
107.08617	17.3
109.10175	18.9
111.11732	27.0
117.07022	2.2
119.07808	2.2
119.08598	27.8
121.10154	11.6
123.11736	10.0
131.08575	8.3
133.10141	16.5
135.11717	10.8
140.06799	2.4
142.22685	1.0
145.10147	7.2
147.11710	14.9
149.13260	12.2
159.11697	5.6
161.13272	27.2
163.14822	9.3
173.13274	3.5
175.13324	1.4
175.14845	25.2
187.14847	18.3
201.16397	13.2
215.18019	1.9
229.19560	10.4
257.22668	100.0
258.23169	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.05513	11.0
56.65308	0.7
57.07075	1.0
67.05177	1.1
67.05510	12.6
69.07075	27.8
71.28448	1.6
77.03919	0.7
79.05499	7.8
81.07067	26.1
83.08623	2.8
90.63178	0.6
91.05487	8.1
93.07056	12.5
95.08617	20.4
97.10178	16.2
105.07042	100.0
106.07386	1.0
107.08599	13.2
109.10167	13.3
111.11732	50.8
112.12050	1.0
115.65974	0.7
117.07024	3.0
119.08592	33.9
120.08891	1.0
121.10151	8.3
123.11720	11.8
131.08594	9.0
133.09114	1.2
133.10143	21.6
135.11703	8.3
140.06874	0.8
143.08621	0.8
145.10144	9.3
147.10594	0.5
147.11700	11.9
149.13278	7.5
159.11699	4.7
161.13269	23.7
163.14804	5.2
173.13184	3.5
175.14856	15.4
183.86095	0.6
187.14844	8.4
189.16458	0.7
201.16414	8.3
215.17992	2.1
229.19537	16.5
257.22665	86.4
258.22992	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.05516	8.2
57.07072	2.5
59.93061	0.8
60.09093	0.8
61.26480	0.9
65.03912	1.8
67.05182	1.4
67.05512	22.3
67.05855	0.8
69.07072	10.4
69.36951	6.8
71.08636	1.1
79.05498	14.6
81.07062	38.5
83.08622	3.7
91.05486	17.8
91.06025	1.6
92.05005	1.2
93.07046	25.3
95.04963	2.5
95.08611	35.8
97.10175	3.2
98.20739	1.0
105.07037	32.6
107.08592	25.0
109.06478	1.4
109.10159	21.1
111.11693	0.8
116.06149	1.0
117.07014	6.0
119.08588	24.1
121.10148	14.9
123.11707	6.7
125.06783	0.9
128.06213	0.9
129.07010	4.3
129.07922	0.9
130.07803	1.6
131.08572	16.7
133.10143	17.1
135.08104	0.9
135.11690	14.9
137.02322	1.1
137.13245	1.0
140.06802	0.9
141.06969	2.0
142.07742	1.1
143.08569	6.1
144.09323	1.5
145.10129	20.5
147.08075	1.0
147.11690	20.3
147.12816	1.5
149.13268	11.6
154.07727	1.4
155.08582	3.6
157.10146	5.0
158.10907	1.0
159.08080	1.3
159.11707	15.8
161.13268	20.2
163.14847	9.6
169.10149	4.3
171.11697	4.2
173.09647	2.2
173.13269	12.9
175.07597	1.6
175.14845	11.3
177.16339	1.6
183.08096	0.9
183.11707	3.7
184.11140	1.3
185.13231	2.7
186.11522	2.1
187.11139	2.6
187.14819	12.7
189.16374	1.7
197.13174	4.0
199.08690	1.2
199.14833	4.4
200.09523	2.0
201.09081	3.2
201.13922	3.0
201.16415	17.3
211.07529	1.0
211.11200	1.4
211.14893	2.1
212.10802	2.4
213.06699	1.4
213.10304	1.4
213.16342	1.9
214.11046	1.3
215.10651	2.2
215.17957	3.9
228.08896	2.0
229.09726	3.6
229.13420	11.0
229.15704	1.8
229.19554	3.6
239.17912	4.6
241.09726	2.3
242.10522	3.2
257.08072	3.3
257.13129	18.5
257.15460	7.3
257.19046	18.7
257.22668	100.0
258.23019	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	257.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14919	0.4
53.03940	0.9
55.05513	6.8
57.07059	1.1
59.12487	0.4
65.03938	0.5
67.05508	19.8
69.06725	0.7
69.07073	8.1
69.85526	2.1
77.03928	0.6
79.05492	11.1
81.07062	34.1
83.08627	4.0
91.05486	11.8
93.07047	21.9
93.07645	1.1
95.04944	0.5
95.08613	34.1
96.37195	0.5
97.10170	2.5
103.05410	0.6
105.07039	24.5
107.08601	22.0
109.10163	17.7
117.07029	4.1
119.08591	21.0
121.10149	14.3
123.11730	5.5
130.07881	0.9
131.08571	8.9
133.10143	13.5
135.11697	14.5
137.13329	0.7
143.08578	2.0
145.09059	0.9
145.10132	14.0
147.11694	20.6
149.13269	14.0
155.08563	1.9
157.10155	1.5
158.10963	0.6
159.11705	11.6
159.13011	0.6
161.13271	18.5
163.13475	0.5
163.14832	8.9
169.10208	1.1
171.11723	1.6
173.13263	9.8
175.14827	10.3
177.16393	1.8
183.11699	2.0
185.13304	0.6
187.14832	11.0
188.15366	0.6
189.16354	1.7
197.13364	1.6
199.14851	1.4
201.12674	0.9
201.16399	14.9
215.17979	4.4
229.19537	1.7
239.17975	2.5
257.19119	7.6
257.22653	100.0
258.22974	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.9
57.07078	2.5
60.28064	0.8
67.05505	21.1
69.07078	6.8
74.21946	1.0
79.05499	10.6
81.06595	1.7
81.07063	30.3
83.08633	4.7
88.07641	1.0
91.05485	12.9
93.07050	23.7
95.08614	34.9
97.10178	7.1
98.21607	1.9
105.07037	29.5
107.08607	18.4
109.10166	27.8
110.10609	0.9
111.11713	5.3
117.07021	3.5
117.26384	0.8
119.08601	17.4
121.10146	15.0
123.11726	7.2
129.07799	0.9
131.08578	7.2
133.10156	17.8
135.11707	20.5
145.10167	7.0
147.11696	16.1
149.13266	15.6
159.11690	5.6
161.13269	23.3
163.14809	3.5
170.24078	0.9
171.11780	0.9
173.13304	5.2
175.13327	1.6
175.14842	26.1
185.13284	0.9
187.14842	9.5
189.16417	2.7
201.16391	16.9
215.17973	3.5
229.19528	2.9
257.22665	100.0
257.26620	17.6
258.23029	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	257.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80237	0.5
55.05512	3.4
56.05384	0.5
57.07058	1.5
62.06068	0.5
63.41043	0.6
65.03936	0.9
67.05505	13.3
67.78439	0.5
69.07068	5.4
70.56551	1.6
79.05492	8.6
81.07055	28.9
82.84142	0.5
83.08626	2.6
86.09189	0.4
89.96478	0.4
91.05476	8.9
93.07044	15.6
95.04984	0.6
95.08603	31.5
97.10153	1.9
105.07030	20.0
107.07882	0.8
107.08592	17.0
109.10156	21.5
111.11728	0.9
117.07005	2.7
119.08587	15.2
121.10137	11.8
122.10386	0.5
123.11710	5.7
129.07030	0.5
131.08562	4.9
133.10124	10.1
135.11693	17.1
143.08563	0.9
145.10126	6.5
147.10506	0.8
147.11682	14.8
149.13255	11.5
157.10107	1.1
159.11670	5.1
161.13257	16.0
163.14838	4.7
169.10176	0.9
171.11711	1.2
173.09773	0.5
173.13251	4.5
175.13309	1.1
175.14825	21.2
187.14806	6.4
189.16382	0.9
197.13148	0.6
199.14850	1.0
201.16374	20.7
201.18265	1.1
202.16719	0.8
215.17940	2.6
229.19595	1.3
241.34891	0.5
257.11935	1.2
257.15326	1.6
257.19220	3.4
257.22635	100.0
258.22971	2.2
258.27917	5.2
272.54291	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
54.78328	0.7
54.89525	0.7
55.05277	0.7
55.05520	10.0
57.03434	1.6
57.07074	4.1
57.08701	0.7
60.27354	0.7
65.03940	0.8
67.05507	27.2
67.45135	0.8
69.07070	11.9
71.04984	3.1
71.08626	1.5
71.08982	1.6
72.08143	2.2
79.05073	1.1
79.05503	17.1
81.07064	35.6
83.08617	5.2
85.06553	2.3
88.07651	1.2
91.05489	21.1
93.07053	34.4
95.04955	4.0
95.08613	42.0
97.06508	1.8
97.10158	2.2
99.08091	0.9
103.05482	2.1
105.07041	47.7
107.08601	31.1
109.06524	4.5
109.10161	26.5
111.08091	1.8
111.11700	1.8
115.05472	2.8
117.07022	10.5
119.08588	36.4
121.06509	1.9
121.10150	82.9
122.10484	1.3
123.08080	3.5
123.11717	7.2
125.09721	0.9
128.06195	3.8
129.07016	7.1
130.07767	2.9
131.08575	28.4
133.06516	0.9
133.07616	2.0
133.10136	22.8
135.07118	1.2
135.08064	13.4
135.11699	18.6
136.40442	0.7
137.09630	2.9
140.06862	0.8
141.07019	3.7
142.07779	4.9
143.08559	19.8
144.09398	3.7
145.10132	37.1
147.08133	1.1
147.11694	22.1
149.09634	4.2
149.13271	14.3
151.11156	1.1
154.07710	0.8
155.08554	5.4
156.09314	3.6
157.10132	20.2
158.10889	2.2
159.08069	2.6
159.11700	27.6
161.09622	2.6
161.13268	23.2
163.11234	2.8
163.14862	6.3
165.38304	0.8
167.08527	1.2
169.10156	10.7
170.10957	1.0
171.11707	11.5
173.09665	2.7
173.13274	22.8
174.42484	0.7
175.07584	1.2
175.11205	2.3
175.14838	14.5
177.12747	1.1
182.10904	1.5
183.08134	0.9
183.11713	9.5
184.12430	2.2
185.13229	3.7
187.11192	5.1
187.14850	13.6
189.12813	1.3
189.16403	2.1
195.11696	1.6
197.13278	7.8
199.14835	27.4
201.09113	2.5
201.12744	5.7
201.16402	19.8
204.21236	0.9
211.14839	2.9
213.16409	7.5
214.17262	1.2
215.14401	2.3
215.17986	8.6
229.08807	0.8
229.19543	3.8
239.17950	15.2
257.08072	2.8
257.11856	2.4
257.15530	6.9
257.19031	77.5
257.22662	100.0
257.26471	6.1
258.19501	1.0
258.22974	1.3
258.27930	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	257.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73857	1.0
53.03941	1.5
55.05515	9.0
57.03427	0.9
57.07072	3.2
65.03946	1.6
67.05504	21.0
69.07071	13.9
70.06589	2.7
70.91823	2.1
70.93788	0.9
72.08946	0.8
72.16900	0.8
76.69485	0.9
79.05492	16.2
81.07061	30.1
83.08614	3.7
88.07655	5.0
89.07966	1.1
91.05486	16.6
93.07047	24.0
95.08614	31.4
97.10168	1.7
102.09211	2.8
103.09518	1.6
105.04549	0.8
105.07035	24.4
105.96703	0.9
107.08596	24.6
109.10162	21.4
116.06220	0.9
117.07035	9.1
119.08585	22.4
121.09341	1.2
121.10155	19.3
123.11724	7.0
129.07011	3.3
131.08586	16.7
133.10139	18.7
135.11688	17.2
137.13260	1.3
141.06984	2.1
143.08534	4.4
144.09354	1.0
145.10130	22.7
147.11691	17.7
149.13264	13.4
153.01845	1.1
154.07785	1.2
155.08578	2.8
157.10225	4.7
159.08110	1.5
159.11697	17.1
161.09680	0.8
161.13281	20.0
163.14828	6.9
167.08563	1.3
169.10144	5.2
171.11700	3.5
173.09575	0.9
173.13284	14.0
175.14828	14.9
177.16449	1.5
182.10858	0.9
183.11703	3.0
185.13275	3.8
187.11211	3.1
187.14833	14.5
189.16370	2.4
197.13242	3.1
199.14835	1.9
201.12625	0.9
201.16432	15.9
211.14851	1.7
213.16315	1.0
215.14497	1.0
215.17996	4.9
229.19547	2.3
239.17958	6.1
257.08188	3.5
257.15445	4.3
257.19077	16.9
257.22659	100.0
257.26715	26.7
258.22958	1.6
279.16187	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
55.05513	6.0
57.03408	1.2
57.07063	3.1
65.03923	1.4
66.04713	0.8
67.05505	22.5
69.07068	10.5
70.06582	1.4
71.04992	1.4
71.08615	1.1
71.51173	1.0
72.08142	2.5
74.88280	0.7
79.05493	12.7
80.80675	0.7
81.07059	35.8
81.37928	0.8
83.08607	4.6
86.09692	1.0
88.07632	1.3
89.07981	0.8
90.09193	2.0
91.05485	14.4
93.06488	1.5
93.07048	25.4
93.07632	1.4
95.04939	2.6
95.08611	38.5
97.06480	0.8
97.10173	2.1
102.09209	0.9
103.05447	1.7
104.06230	0.7
104.24415	0.7
105.07034	37.7
107.08594	25.0
109.06509	1.9
109.10162	21.5
111.08073	1.7
111.11712	0.8
115.05441	1.4
116.06249	1.1
117.07024	9.5
119.08585	26.4
121.06587	1.0
121.10148	44.7
123.08065	1.6
123.11718	5.8
128.06210	1.8
129.07014	4.7
130.07774	1.5
131.08569	21.6
133.07648	0.8
133.10138	15.8
134.10588	1.0
135.08087	6.5
135.11702	17.3
137.09607	2.0
141.06979	1.8
142.07761	2.2
143.08542	9.1
144.09293	1.9
145.06508	1.0
145.10127	31.2
145.11302	1.5
146.10562	0.8
147.07997	1.0
147.11699	17.1
148.21741	0.7
149.09622	2.2
149.13257	15.7
155.08521	3.1
156.09288	1.5
157.10136	10.0
159.08095	1.3
159.11699	22.6
161.09598	1.6
161.13264	21.3
163.11227	1.0
163.14844	5.9
169.10144	4.6
171.11700	6.7
173.09592	2.4
173.13268	14.9
173.28282	0.8
175.07564	1.4
175.11198	1.4
175.14821	13.4
177.12668	1.0
177.16368	1.0
183.11707	5.8
184.12448	1.1
185.13237	2.5
187.11159	3.1
187.14819	11.3
189.16380	2.1
195.11740	0.8
197.13240	4.2
199.14819	15.1
201.09074	1.8
201.12767	2.1
201.16403	19.6
202.16873	0.8
211.14822	1.5
211.55782	0.7
213.16298	4.5
214.16988	1.2
215.10675	1.5
215.14392	1.4
215.17996	6.8
229.19499	2.0
239.06805	0.8
239.17979	8.4
254.96185	0.8
257.08099	2.2
257.11929	1.6
257.15512	5.3
257.19016	43.7
257.22626	100.0
257.26483	6.9
258.19238	1.2
258.23001	2.0
258.27896	11.7
259.59665	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
55.05516	7.0
56.96099	1.0
56.96569	1.2
57.07078	4.6
65.03928	1.5
67.05183	1.5
67.05510	24.4
69.07070	13.2
70.06599	1.6
71.04266	1.0
71.06924	1.2
71.50932	1.7
79.05491	11.6
81.07063	32.6
83.08615	4.9
88.07617	3.1
91.04984	1.4
91.05492	18.6
93.06489	1.5
93.07055	25.6
95.04942	1.2
95.08613	34.0
96.09002	1.0
97.10152	2.1
102.09171	2.1
105.07039	25.5
107.08604	23.0
109.10160	23.6
111.11716	1.4
115.05378	1.0
117.07023	10.6
119.07806	1.8
119.08594	22.8
120.08859	1.1
121.10144	18.2
123.11711	7.2
128.06169	1.8
129.07002	4.2
131.08569	19.9
133.10141	20.8
135.11710	17.4
137.13252	1.4
140.06854	1.1
141.07054	2.1
142.07823	1.3
143.08577	4.4
145.06569	1.0
145.10135	27.9
147.11703	17.1
149.13252	14.4
153.01851	2.4
154.07773	1.5
155.08549	3.5
157.10126	4.4
159.07953	1.2
159.11694	16.3
159.12885	1.6
161.13266	18.5
163.14812	6.3
169.10153	6.8
169.11334	1.2
171.11671	3.6
173.09644	1.3
173.13268	16.3
175.14828	14.6
183.11676	3.9
185.13237	6.3
187.11194	3.0
187.14810	15.3
188.15523	0.9
189.16414	2.0
197.13278	3.5
199.14850	1.6
201.09099	1.4
201.16414	20.7
213.16437	1.7
215.17953	4.9
223.89737	0.9
229.19463	3.3
239.17982	5.3
247.98901	1.1
257.08124	3.6
257.11630	1.5
257.15433	4.4
257.19034	20.5
257.22644	100.0
257.26605	19.8
258.22998	2.5
264.58044	1.0
275.09579	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03955	1.2
55.01857	2.1
55.05515	10.3
55.92990	1.2
55.93265	1.1
56.47085	1.1
57.07054	1.8
59.04992	2.4
67.05506	25.6
69.07073	5.9
69.49652	1.0
69.69112	5.7
69.69527	2.4
71.04967	1.2
79.05496	13.5
81.07059	19.9
83.08618	2.7
90.69611	1.4
91.05488	21.9
93.07049	12.4
93.41984	1.2
95.04963	2.3
95.08619	15.4
97.06520	5.1
97.10139	1.8
103.05503	1.4
105.07034	21.4
107.04946	1.7
107.08624	8.2
107.58678	1.2
109.06519	3.7
109.10165	7.6
111.08070	1.9
115.05452	4.4
116.06217	2.8
117.07019	37.8
119.04968	1.1
119.08578	14.7
121.06514	1.6
121.10139	6.0
123.08109	1.6
123.11709	1.0
128.06255	6.2
129.07005	21.6
130.07794	4.3
131.08574	58.1
133.06476	4.0
133.10146	9.8
135.08058	3.1
135.11687	3.5
137.09590	2.1
141.06979	8.4
142.07822	6.1
143.08571	25.6
144.09331	1.4
145.06516	6.4
145.10126	77.0
146.10530	1.7
147.08046	3.6
147.11632	6.9
149.09592	3.6
153.07025	2.0
154.07809	4.4
155.08571	10.8
156.09441	1.9
157.10133	25.2
159.08095	3.3
159.11694	33.1
161.09618	4.3
161.13277	3.2
163.11169	2.2
165.06955	1.5
167.08539	2.7
168.09352	2.4
169.10121	18.2
171.11708	21.5
173.09639	5.2
173.13268	13.4
175.11203	6.0
175.14915	2.2
177.12772	1.7
181.10138	1.9
181.82373	1.2
183.11688	17.7
185.13239	3.6
187.11206	8.2
187.14787	2.5
189.12721	3.3
197.09700	2.5
197.13283	15.2
199.14827	4.0
201.12746	6.3
201.16429	1.4
210.14165	1.8
211.14810	4.2
213.16406	3.9
215.14348	4.8
215.17996	3.0
225.09106	2.6
229.12189	1.5
229.19579	4.7
239.17969	37.0
257.11789	4.6
257.19016	100.0
258.19354	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	257.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.9
57.03439	2.6
57.07069	1.2
57.67859	1.2
59.04966	1.2
62.08976	1.1
65.03930	2.1
67.05508	14.8
69.03426	1.5
69.07074	7.9
69.70342	2.5
69.70746	4.7
71.04988	3.3
72.08202	1.1
79.05497	11.1
81.07061	14.9
81.12401	1.2
83.04974	2.5
83.08611	3.6
85.06538	3.7
86.92593	1.2
91.05479	14.8
93.07043	10.2
95.04982	1.7
95.08608	16.9
97.06529	2.7
97.10181	1.3
99.41714	1.2
105.07045	18.3
107.08601	10.7
109.06512	4.7
109.10164	10.8
115.05440	3.9
117.07027	20.4
119.08601	20.3
121.10156	17.1
123.08105	3.7
123.11700	2.4
128.06197	5.8
129.07016	15.3
130.07765	2.6
131.08568	36.5
133.06456	2.4
133.10153	13.9
135.08073	4.4
135.11685	4.2
137.09602	2.9
141.06998	6.7
142.07745	6.0
143.08569	18.6
144.09370	2.7
145.06453	2.5
145.10135	43.3
147.08057	3.5
147.11697	7.9
149.09612	2.5
149.13246	2.1
154.07770	2.4
155.08604	8.7
156.09329	3.7
157.10147	27.8
158.10954	3.8
159.08084	4.0
159.11708	39.0
161.09605	4.2
161.13251	3.6
163.11220	3.6
168.09360	3.1
169.10164	15.5
171.11687	21.8
173.09616	3.8
173.13280	26.9
174.14049	4.3
175.11206	5.5
175.14853	4.6
181.10176	1.7
182.10945	2.0
183.11722	19.7
184.12460	3.4
185.13286	14.3
187.11205	6.1
187.14809	5.4
189.12733	2.7
195.11670	1.6
197.13217	12.8
199.14844	17.9
200.15407	1.3
201.12802	8.4
201.16489	1.9
209.13234	1.8
210.14038	2.3
211.14772	3.8
213.16429	8.1
214.17223	2.1
215.14323	4.9
215.18001	7.7
224.15645	1.6
229.15965	1.3
229.19463	5.2
239.17938	27.0
257.19028	100.0
257.22443	6.9
257.26669	3.5
258.19284	3.0
258.28033	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	257.1902
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
52.25938	1.0
53.03946	1.1
55.05508	8.2
56.49334	1.0
57.03410	1.5
57.07058	3.1
65.03924	1.2
67.05508	16.6
69.07082	7.7
70.06519	1.1
71.04990	2.3
71.12003	1.7
77.79785	1.2
79.05499	16.6
81.07058	24.7
83.08610	4.3
85.06525	1.9
88.07618	1.1
90.09194	1.1
91.05479	18.5
93.07044	26.6
95.04955	4.3
95.08611	26.5
97.06554	1.4
97.10180	2.0
102.09184	1.2
103.05466	2.1
105.07033	40.3
106.07832	1.4
107.08593	25.6
109.06554	6.1
109.10165	22.0
111.08143	1.5
115.05451	3.0
117.07021	12.2
118.07307	1.2
119.08587	30.4
121.06496	1.2
121.10146	96.5
122.10513	1.0
123.08064	3.8
123.11719	5.6
126.61718	1.2
127.80162	0.9
128.06219	4.7
128.53923	1.0
129.07022	7.8
130.07793	3.5
131.08572	23.2
133.07588	3.0
133.10141	16.0
135.08055	16.5
135.11693	11.6
137.09615	3.5
137.18649	1.0
141.06984	3.5
142.07777	5.4
143.08560	19.5
144.09274	1.8
145.10130	31.3
147.08060	1.4
147.11696	13.2
149.09621	3.7
149.13275	7.3
151.11157	2.3
153.07031	1.2
155.08508	5.7
156.09390	2.8
157.10149	20.9
158.10858	1.4
159.08038	2.1
159.11694	19.6
161.09645	1.6
161.13260	15.4
163.11180	4.0
163.14818	3.4
167.08620	1.3
168.09328	1.4
169.10109	10.6
170.10895	2.2
171.11696	11.4
173.09602	3.1
173.13269	21.1
175.11230	1.5
175.14799	9.2
177.12750	4.0
182.10887	1.1
183.11635	9.1
183.72932	1.1
184.12521	1.9
185.13203	4.4
187.11177	5.1
187.14828	9.1
197.13268	8.0
199.14833	33.9
200.15424	1.1
201.09186	1.6
201.12753	5.8
201.16435	8.5
211.14859	2.2
213.16371	10.1
214.17177	2.1
215.10641	1.9
215.14346	3.0
215.17995	9.2
229.19524	1.9
239.17960	14.8
257.08057	1.8
257.18997	100.0
257.22626	52.5
257.26694	4.1
258.22995	2.2
258.27924	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	257.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.4
53.28262	2.1
55.01864	7.4
55.05270	2.6
55.05514	32.3
57.07065	2.3
61.02919	5.2
65.00678	2.1
67.05506	20.0
69.03432	7.7
69.07076	16.3
69.30278	20.4
71.04981	7.2
79.05500	26.9
81.07063	50.5
83.08621	38.4
85.06548	86.9
91.05466	13.3
93.07047	91.3
95.04972	11.9
95.08611	36.7
97.06541	36.5
97.10174	6.4
99.08081	8.1
105.04573	2.8
105.07022	20.8
107.08593	28.4
108.04467	5.8
109.06521	21.3
109.10161	9.8
111.08084	44.9
115.86750	2.6
119.08584	24.1
121.06516	19.6
121.10162	19.3
123.11705	24.5
125.06084	5.5
125.07047	5.1
125.09620	3.0
129.05473	4.7
131.08536	3.8
133.10110	8.0
135.11699	7.5
139.07541	100.0
143.06976	2.3
143.08606	2.4
147.11610	4.7
149.13235	3.5
151.14832	2.7
157.08612	99.2
159.11719	3.3
161.13258	35.9
169.08627	4.5
175.14859	8.0
177.16408	4.5
179.14352	6.1
185.13286	3.1
191.17921	5.9
193.15875	4.0
197.15370	6.5
203.14375	7.9
209.19044	3.3
221.15404	23.7
239.16292	11.2
248.93338	2.2
257.07941	3.6
257.11426	6.0
257.15152	5.2
257.17361	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	257.1903
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
53.03936	1.6
54.22380	1.1
55.05502	4.6
57.07055	1.4
61.60151	1.0
67.05501	7.1
69.07067	5.5
70.71835	2.3
71.04984	3.3
79.05515	7.6
81.07063	6.8
83.04952	1.9
83.08619	2.7
85.06531	4.6
91.05473	9.5
91.94098	1.0
93.07044	15.6
95.04967	2.5
95.08614	11.0
97.06525	1.9
99.08154	1.4
103.05411	1.4
105.07039	30.2
107.08602	18.3
108.79408	1.2
109.06505	6.7
109.10172	10.5
111.08072	3.0
114.82367	1.1
115.05463	1.4
117.07001	5.3
119.08586	23.3
121.06495	1.2
121.10150	82.0
123.08065	4.3
123.11706	2.1
128.06261	3.2
129.07004	5.3
130.07729	1.5
131.08580	12.0
133.07588	1.3
133.10132	10.2
135.08069	15.2
135.11699	4.6
137.09630	5.5
141.06981	2.5
142.07765	6.0
143.08557	19.0
144.09355	2.3
145.10130	18.7
147.11691	4.0
149.09615	4.4
154.07816	1.2
155.08542	4.5
156.09399	4.9
157.08975	1.5
157.10152	22.2
158.10904	4.1
159.08040	2.9
159.11708	21.3
161.09628	2.7
161.13237	3.0
163.11162	4.1
168.09271	2.5
169.10126	13.5
170.10941	1.7
171.11699	13.4
173.09599	3.7
173.13268	24.5
174.14012	2.8
175.11157	2.4
175.14784	3.2
177.12743	2.4
181.10176	1.8
182.10934	1.6
183.11726	10.5
184.12485	3.6
185.13228	3.2
187.11140	5.4
187.14841	3.9
189.12743	2.0
195.11696	2.4
197.09676	2.1
197.13307	9.1
197.24576	1.0
198.13940	1.0
199.14835	34.4
199.16621	2.3
200.15178	1.7
201.12761	10.5
209.13329	1.5
210.13939	1.4
211.14847	1.5
213.16385	12.6
214.17198	3.1
215.14336	3.6
215.17935	10.8
224.15681	2.4
229.15977	1.2
239.17979	14.5
257.19019	100.0
257.26480	5.3
258.19275	2.0
258.27899	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	257.1537
Annotation	3,3-Bis(4-hydroxyphenyl)pentane
Peak:m/z	Relative Intensity
52.89487	0.5
53.03931	0.6
54.25372	0.5
55.05503	2.1
57.07074	1.2
58.39924	0.5
60.08755	0.5
61.10492	0.6
67.05183	0.6
67.05510	7.7
69.07054	2.3
71.04991	0.6
71.08630	1.3
76.41267	0.6
79.05476	1.5
79.89017	0.5
79.89504	0.4
81.07071	3.2
83.08617	1.5
91.05473	2.8
93.07033	1.5
95.04967	0.8
95.08591	2.2
97.06528	0.6
98.20771	0.9
105.07037	5.2
107.08586	2.8
109.10155	7.4
115.05440	0.8
117.07021	1.9
119.08607	3.8
121.10127	1.4
125.09619	0.6
128.06232	1.1
129.07033	1.7
130.07771	1.4
131.08568	2.4
133.06503	1.1
133.10123	0.8
135.11655	1.0
141.06990	1.5
142.07840	0.7
143.08560	1.4
144.09306	1.1
145.06482	4.3
145.10129	10.4
145.46761	0.6
147.08063	7.3
149.13316	0.7
153.07021	1.1
154.07784	1.2
155.08542	5.6
157.06514	2.0
157.10153	1.3
158.07245	3.4
159.08109	4.2
159.11687	3.0
161.05986	26.2
167.08556	0.6
169.10094	3.0
171.08051	1.2
172.08824	2.0
173.05984	0.9
173.09630	23.1
175.07558	43.0
175.14784	0.6
176.07964	0.7
182.07234	0.8
183.08099	3.7
185.05991	1.5
186.06729	4.1
187.07564	6.0
187.11195	8.8
189.09113	2.3
197.09608	2.8
199.07434	2.8
200.08336	5.3
201.09114	100.0
202.09459	1.7
211.11209	0.6
211.14827	1.1
213.09032	1.2
214.09920	1.4
215.10677	30.9
225.09225	0.7
228.11342	0.9
229.13853	0.6
229.15855	3.0
242.05681	0.6
257.15366	79.4
258.15695	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01872	1.0
55.05509	2.7
56.96549	1.0
57.07069	2.4
64.60686	0.5
65.03915	0.6
67.05190	0.7
67.05508	8.9
69.03427	1.0
69.07066	3.3
69.49490	3.4
71.04993	1.3
71.08630	1.8
79.05485	1.9
81.03421	0.9
81.07056	4.6
83.04979	1.4
83.08617	1.3
85.02896	0.6
85.06541	1.3
87.04494	0.8
87.10786	0.7
91.05486	4.7
93.07046	2.5
93.35397	0.5
95.04987	1.3
95.08609	4.1
97.02887	1.4
97.06545	1.0
98.97578	3.4
103.05475	0.8
105.07042	5.3
107.04951	0.7
107.08597	2.7
109.06537	0.6
109.10172	8.7
111.08113	1.4
113.06003	0.5
115.05470	1.1
116.98627	0.6
117.07056	3.2
117.07758	0.6
119.08588	6.1
121.06515	0.6
121.10122	1.5
128.06236	1.3
129.06969	3.3
130.07770	2.6
131.08548	3.5
132.05745	1.1
133.06525	0.8
133.10143	1.7
135.08133	0.6
137.09624	1.0
141.06981	2.5
142.07765	1.7
143.08556	2.3
144.09306	0.9
145.06480	5.2
145.10132	9.7
147.08064	9.1
147.11652	0.7
153.07014	1.6
153.09084	1.2
154.07779	1.0
155.08572	6.5
157.06465	1.5
157.10162	2.5
158.07277	3.1
158.99658	0.8
159.08058	4.1
159.11726	3.8
160.05214	0.6
160.89700	0.5
161.06000	30.5
161.09628	1.0
161.13213	1.3
165.06989	1.0
169.06676	0.6
169.10098	4.3
171.08025	1.0
171.11766	1.4
172.08801	2.2
173.01225	0.8
173.06053	1.1
173.09634	24.4
174.10213	0.7
175.07559	46.8
175.14861	1.1
177.09035	0.7
182.07219	0.8
183.08043	3.1
183.11765	1.1
185.05966	1.3
186.06755	4.7
187.07550	6.1
187.11185	8.3
189.09126	2.5
197.09534	2.6
199.07559	2.7
199.14780	3.0
200.08337	5.7
201.09119	100.0
202.09529	1.7
203.14328	0.6
211.07626	0.8
213.09117	1.9
214.09888	1.5
215.10693	33.7
221.15353	1.0
227.10706	0.6
228.11432	1.3
229.15833	3.1
240.58379	0.6
246.62973	0.5
257.08109	2.1
257.15378	88.5
258.15775	1.3
274.97382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84847	0.2
53.03950	0.7
56.05081	0.2
69.46458	1.1
70.44622	0.2
71.05006	0.8
72.27723	0.2
78.03455	1.5
80.05022	3.9
81.61962	0.2
87.45957	0.2
96.04505	1.6
98.20753	0.4
106.02924	1.2
115.03926	0.4
122.02425	0.2
124.03964	100.0
124.77069	0.2
125.04285	0.7
133.04950	0.4
134.79001	0.2
140.03389	0.2
156.58543	0.2
166.05061	0.2
207.12383	0.2
210.07642	0.5
242.02359	0.2
256.08188	12.3
257.08612	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.9
55.84259	0.5
57.03440	6.4
63.99809	0.5
67.50796	0.5
69.53421	3.5
75.04475	2.7
76.87977	0.5
79.05495	3.7
91.05472	0.8
94.04223	0.8
103.05479	3.3
105.07037	31.1
107.04960	2.6
109.06511	0.7
115.05476	0.8
117.06993	1.1
122.03674	4.2
124.05181	1.0
133.06497	47.6
135.04385	0.8
135.08095	0.7
137.05984	100.0
138.06378	0.6
145.06531	0.5
149.06001	0.6
150.06798	0.7
151.07536	0.8
163.07547	4.3
165.09122	23.7
175.07526	3.6
177.09145	0.9
177.34009	0.5
181.08621	1.4
182.09322	0.5
183.10175	5.0
201.19493	0.5
203.10689	1.8
209.11792	0.7
221.11754	2.0
239.12880	0.5
257.08096	0.8
258.61877	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.4
57.03439	5.2
66.04732	0.6
71.01570	1.3
75.04491	2.6
79.05507	4.8
81.07057	0.7
85.42924	0.6
91.05454	1.4
94.04160	1.0
103.05466	3.0
105.07040	33.9
107.04935	2.8
107.08578	0.8
109.06558	1.4
115.05445	0.9
117.06989	0.9
122.03657	4.5
133.06503	51.5
135.04428	0.8
137.05989	100.0
138.06331	0.8
143.12810	0.6
151.07481	0.6
163.07570	3.5
165.09122	24.5
175.07559	3.1
175.11198	0.6
181.08620	1.5
183.10193	4.6
203.10699	1.9
209.11821	1.2
221.11769	2.9
226.14717	0.5
239.12865	0.6
257.08188	0.7
257.22592	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
66.04777	0.3
69.03429	0.4
69.23833	2.4
69.24256	1.1
74.09294	0.8
74.09719	15.3
77.30191	0.3
85.02888	0.9
86.85207	0.4
96.07909	1.8
97.02866	0.7
98.20907	1.5
98.97606	0.5
101.00893	0.7
113.00868	0.4
114.08908	2.0
116.03392	0.4
119.01936	1.5
123.05569	0.5
126.21539	0.4
127.03907	0.6
127.36855	0.4
131.01924	1.0
131.82521	0.4
133.03404	0.4
136.94019	0.7
140.06828	100.0
145.03494	0.7
148.94019	0.5
155.01920	0.8
155.38921	0.3
158.06641	0.9
169.03514	0.4
173.02971	1.6
176.07680	1.5
185.03018	0.5
185.06544	0.5
194.67564	0.4
215.03928	0.6
218.82526	0.4
229.09142	0.4
231.16791	0.7
245.04988	0.3
257.04996	0.6
257.14752	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	255.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68682	0.6
53.03932	0.6
53.52782	0.6
55.05506	4.1
57.07076	0.8
65.03938	0.9
67.05511	10.4
69.07071	4.6
69.77482	3.1
73.36528	0.5
79.05497	10.1
81.07062	17.6
83.04964	0.7
83.08617	1.0
91.05486	11.9
93.07051	15.2
95.04966	0.9
95.08615	15.4
98.20798	0.7
98.98448	2.8
105.07041	17.5
107.08598	10.4
109.02951	0.9
109.10165	6.9
111.49810	0.6
117.07030	7.6
119.08589	13.4
121.10151	8.6
123.11711	1.9
128.06232	2.2
129.06996	5.5
130.07845	0.6
131.08580	13.9
133.00914	0.6
133.10138	10.8
135.11714	4.8
141.07007	0.9
142.07771	1.9
143.08568	9.6
144.09352	0.8
144.74768	0.6
145.10127	15.5
147.11696	10.8
149.13254	2.1
155.08577	2.0
156.09358	1.1
157.10136	11.5
158.10884	1.3
159.11705	16.5
161.13278	8.9
163.14909	0.8
166.07738	0.6
167.08594	1.2
169.10135	1.4
170.10973	0.8
171.11710	10.7
173.13264	9.0
175.14827	3.3
181.10149	0.9
183.11726	1.1
184.12465	0.7
184.40375	0.7
185.13284	13.0
187.14873	3.2
191.70375	0.6
195.08150	0.9
195.11734	1.6
197.13252	2.3
199.14836	13.9
201.16418	0.6
209.13258	0.7
211.14798	1.3
212.15567	1.0
213.16425	7.1
223.19661	0.5
226.17168	0.8
227.17973	5.2
237.16301	1.5
255.06538	0.9
255.10268	1.4
255.17494	5.5
255.21098	100.0
256.21390	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	255.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
55.05504	3.6
57.07077	16.0
63.19800	0.8
67.05508	9.7
68.99788	1.7
69.07058	3.6
70.70339	1.7
70.70687	1.2
71.01339	0.9
73.91058	0.8
79.05505	8.6
80.12303	0.7
81.07066	16.4
83.04987	8.6
83.08615	2.3
87.21921	1.2
91.05486	9.3
93.06485	1.1
93.07053	15.3
95.08614	13.2
95.97281	0.7
97.02878	1.0
97.06522	1.7
97.10174	1.3
98.98474	23.2
100.98898	1.2
101.02355	0.9
105.07041	17.2
107.04936	3.6
107.08597	14.4
109.02884	3.8
109.10182	8.6
111.04452	18.4
111.08017	1.0
115.05423	0.9
117.07032	6.1
118.22034	0.8
119.08586	12.6
121.10146	7.5
123.11715	2.2
125.06008	6.2
128.06178	1.0
129.06987	4.9
129.72568	0.8
131.08585	19.2
133.10132	7.2
135.04529	1.7
135.11726	4.2
142.07797	1.4
143.08575	8.9
144.09344	1.1
145.10141	18.1
147.11716	10.3
149.13283	3.1
153.05470	11.8
156.09395	1.3
157.10127	9.6
159.11705	14.7
161.13271	9.5
163.11230	4.1
163.14920	1.3
169.10185	0.9
171.11705	7.5
173.13280	15.0
175.07602	1.7
175.14854	4.0
181.04991	3.9
181.06444	0.9
181.12248	5.0
185.13277	8.6
187.14818	2.8
191.10701	9.2
193.08656	1.6
197.13225	1.4
199.14828	22.4
200.15567	1.4
209.11740	70.3
210.12128	1.2
211.14832	0.8
213.16432	6.3
227.17973	4.3
237.11226	22.6
255.21095	100.0
256.21518	1.9
256.26312	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.05507	3.2
66.62882	0.6
67.05244	0.6
67.05508	7.7
69.07071	4.2
69.15284	4.5
69.15713	2.8
69.21613	0.6
79.05502	7.1
80.29414	0.7
80.79085	0.7
81.06592	1.0
81.07056	14.6
83.08598	2.2
91.05478	8.7
93.07048	12.6
94.89939	0.7
95.08611	12.7
97.10178	1.0
98.20742	1.6
105.07037	18.1
107.08595	14.6
109.10155	6.4
117.07030	4.8
119.08593	11.8
121.10146	6.5
123.11680	2.1
128.06194	0.9
129.07028	5.1
131.08572	16.9
133.10130	6.6
135.11688	2.7
142.07790	2.1
143.08575	10.2
144.09320	1.4
145.10126	20.1
147.11684	11.6
149.13240	2.8
156.09337	1.1
157.10124	11.7
159.11691	14.3
159.13014	0.9
161.13275	9.3
163.14920	0.9
167.53418	0.8
169.10088	1.0
171.11687	6.2
173.13266	17.7
175.14832	3.2
184.12607	0.8
185.13252	9.4
186.14005	0.6
187.14807	2.8
197.13208	0.9
199.14824	23.5
200.15352	0.7
201.73625	0.8
213.16339	5.0
227.17982	3.6
255.21088	100.0
256.21628	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.05515	3.4
57.03436	0.7
58.64677	0.5
65.66373	0.5
67.05505	5.9
67.99536	0.6
69.07076	3.7
69.70456	1.2
69.70864	2.4
71.24572	0.5
79.05499	5.0
81.07061	13.2
82.85215	0.5
83.08630	1.2
91.05491	6.9
93.06488	0.8
93.07048	15.5
95.04950	0.6
95.08611	13.2
97.10168	1.8
97.92200	0.6
98.98465	2.3
103.05437	0.7
105.07040	20.1
107.08598	15.9
109.10161	6.2
109.10857	0.8
117.07018	3.5
119.08590	14.4
121.10130	5.1
123.11694	1.8
128.06247	0.9
128.47275	0.6
129.07021	3.8
131.08575	10.4
133.10146	6.6
135.11699	2.6
137.13239	1.0
142.07779	2.0
143.08568	13.8
144.09245	0.6
145.10132	15.8
147.11697	7.6
149.13292	3.3
153.01868	0.9
155.08572	0.8
156.09331	1.4
157.10138	10.2
159.11693	13.9
161.13258	10.2
162.40102	0.6
163.14845	2.0
171.11674	7.0
173.13290	13.0
175.14836	5.5
183.11684	0.8
185.13301	6.0
187.14874	2.0
197.05945	1.7
197.13243	0.8
199.14838	21.2
200.15498	0.9
201.16455	0.6
211.14804	1.0
213.12898	0.8
213.16423	5.7
225.05415	0.8
227.17935	3.6
240.07599	0.9
255.06517	8.0
255.10295	2.6
255.21092	100.0
256.21460	2.2
256.26410	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
55.05511	5.0
57.07065	1.3
67.05509	8.8
69.07066	3.9
69.90151	1.5
71.82233	0.4
79.05495	7.0
79.09176	0.5
81.06590	0.9
81.07060	16.9
83.08617	2.8
91.05482	10.9
93.07048	19.4
95.04964	0.7
95.08608	16.7
97.10168	2.0
98.21491	0.8
98.97870	0.5
98.98473	6.2
105.07036	20.7
107.08598	17.9
109.10165	8.3
115.05438	0.9
117.07021	6.7
119.08591	15.0
121.10158	5.5
123.11714	2.0
128.06229	2.0
129.07007	6.8
130.07712	1.0
131.08574	20.3
133.10126	8.8
135.11745	3.6
141.07034	0.7
142.07787	2.2
143.08563	13.2
144.09344	1.5
145.10136	21.4
147.11691	11.8
149.09744	0.5
149.13292	3.7
155.08516	0.9
156.09334	1.7
157.10146	13.6
158.10802	0.9
159.11696	17.3
161.13258	11.8
163.14824	1.7
169.10104	0.9
170.10951	0.8
171.08263	0.5
171.11716	8.8
173.11761	1.0
173.13271	20.2
174.13588	0.6
175.14844	6.4
183.11710	0.7
184.12477	0.7
185.13246	7.9
186.14038	0.7
187.14795	2.5
195.11642	0.5
197.13284	1.4
199.14828	27.1
200.15474	1.0
209.11760	1.0
213.16418	7.0
223.11130	0.5
227.17935	4.0
237.16367	0.5
255.21091	100.0
256.21475	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	255.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
55.05513	3.8
57.07060	0.8
60.64581	0.3
65.03945	0.4
67.05179	0.5
67.05508	7.1
69.07071	3.7
69.18595	1.5
69.19027	1.7
79.05500	5.2
81.07062	14.5
83.08604	1.3
85.10178	0.4
87.50202	0.3
90.60638	0.3
91.05486	8.2
93.07049	18.6
95.04942	0.9
95.08607	17.5
97.10188	1.6
98.98465	4.7
103.05387	0.3
105.07037	22.0
107.08602	16.9
109.10160	8.0
115.05446	0.7
117.07030	3.7
119.08589	17.6
121.10152	4.7
123.11702	2.3
128.06241	1.7
129.07004	4.1
130.07791	0.7
131.08571	12.9
133.10135	7.7
135.11699	2.8
137.13242	1.1
141.06975	0.6
142.07776	1.8
143.08563	14.0
144.09334	1.3
145.10130	16.3
147.11688	10.0
149.13269	4.1
155.08578	0.9
156.09367	1.2
157.10138	12.1
158.10799	0.6
159.11708	14.1
161.13268	10.6
163.14818	2.4
169.10139	1.1
170.10922	0.8
171.11699	7.0
173.13275	15.4
175.14845	8.0
183.08008	0.6
183.11755	1.0
184.12447	0.7
185.09691	0.3
185.13264	7.0
187.14903	1.7
197.13306	0.9
199.11122	1.0
199.14832	24.8
200.15483	1.0
209.11703	0.8
211.07497	0.7
211.14838	0.7
213.09235	0.6
213.13138	0.3
213.16406	6.3
226.09947	0.6
227.10669	0.4
227.14384	0.6
227.17859	2.9
237.11211	0.3
240.18690	0.4
255.13936	4.0
255.21089	100.0
256.21439	2.7
256.30023	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98879	0.4
55.05516	3.1
57.07085	0.7
67.05178	0.7
67.05508	8.1
69.07078	3.7
69.89996	1.1
69.90387	0.7
79.05503	7.6
81.07063	15.6
83.08630	2.5
91.05491	8.6
93.07048	12.8
95.04955	0.8
95.08617	12.2
97.10184	1.0
98.98459	3.2
102.14126	0.4
103.05434	0.5
105.07042	16.0
107.08601	14.7
109.10166	7.0
115.05466	0.9
117.07016	6.7
119.08587	11.3
121.09335	0.8
121.10155	7.7
123.11736	1.4
124.49289	0.5
128.06206	1.2
129.07016	5.1
130.07771	1.0
131.08577	17.2
133.10124	7.2
135.11690	3.9
142.07780	1.5
143.08571	11.0
144.09331	1.0
145.10130	20.4
147.11697	12.5
149.13269	3.3
154.60382	0.5
155.08562	0.8
156.09401	0.7
157.10133	10.8
157.11334	1.0
158.10918	0.6
159.11702	13.4
161.13264	9.6
169.10104	1.0
171.11700	7.0
173.11757	1.0
173.13274	18.4
175.14835	3.4
185.13249	9.6
186.14072	0.6
187.14825	2.8
197.13228	0.8
199.12981	1.1
199.14822	20.6
200.15546	0.7
209.11726	1.3
212.15657	0.8
213.16382	5.7
214.17351	0.5
219.04398	0.5
227.17952	4.0
238.40254	0.5
240.18562	0.6
255.21095	100.0
256.21445	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	255.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.7
55.05515	3.5
62.36306	0.5
67.05511	7.9
69.07079	3.5
70.76665	1.3
77.03906	0.6
79.05495	6.4
81.07062	15.0
81.20778	0.5
83.08624	1.8
91.05488	8.3
93.06483	0.8
93.07050	11.2
95.04967	0.6
95.08613	12.5
97.10191	1.1
105.07034	13.2
107.08602	15.9
109.10159	7.1
117.07007	5.5
119.08585	11.7
121.10151	5.3
123.11713	1.8
128.04718	0.6
128.06233	1.0
129.07019	5.1
130.07771	0.7
131.07607	0.9
131.08585	17.9
133.10136	7.3
135.11691	2.4
141.06944	0.6
142.07813	1.7
143.08577	11.0
144.09401	1.1
145.10138	19.8
145.11314	1.0
147.11696	11.0
149.13255	3.6
156.09274	0.7
157.10136	11.7
158.10857	0.6
159.11707	12.5
161.13295	8.0
163.14880	0.7
169.10120	0.8
170.10873	0.6
171.11700	8.1
173.13264	15.5
175.14839	4.4
185.13274	8.3
186.14017	0.6
187.14799	2.1
197.13283	0.9
199.14838	20.0
200.15511	0.9
206.90027	0.6
213.16371	5.0
225.16226	0.8
227.17937	4.4
255.21095	100.0
256.21484	2.6
268.42007	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15322	0.3
51.22837	0.3
53.03934	0.7
55.05272	0.5
55.05513	6.6
57.07072	0.7
62.69586	0.3
65.03925	0.5
67.05186	0.4
67.05508	6.6
69.07075	4.5
69.15364	0.3
70.74892	1.0
77.03893	0.3
79.05074	0.4
79.05496	5.3
81.07059	17.6
83.08617	2.3
91.05485	7.0
93.07044	15.6
95.04945	0.6
95.08612	15.3
97.10162	4.3
98.98460	3.1
105.07035	18.2
107.08598	11.8
108.08886	0.4
109.10158	6.7
117.07029	3.4
119.08585	14.0
121.10143	4.4
123.11707	1.7
128.06200	1.2
129.06993	3.0
130.07797	0.7
131.08578	13.2
133.10150	7.7
135.11682	2.6
137.13281	0.5
141.07001	0.5
142.07819	2.1
143.08566	12.3
144.09332	1.2
145.10129	20.6
147.11693	9.4
148.45706	0.3
149.13248	3.4
155.08562	0.9
156.09302	1.5
157.10135	12.9
158.10872	0.9
159.11697	18.2
161.13258	13.7
163.14795	1.4
167.08730	0.3
169.10101	1.1
170.10895	0.4
171.11696	7.8
172.12436	0.5
173.13268	16.5
174.13545	0.3
175.13356	0.6
175.14825	6.3
183.11794	0.6
184.12456	0.6
185.09676	0.4
185.13280	6.1
187.14851	2.2
187.65402	0.3
195.11734	0.5
195.13867	0.6
197.13258	1.3
199.14830	19.9
200.15498	0.9
211.14883	0.4
213.16368	4.9
227.17943	6.4
237.16438	0.8
255.21088	100.0
256.21521	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84645	0.4
55.01873	2.3
57.03450	2.9
58.45137	0.4
61.02934	0.8
63.15928	0.4
69.03423	1.7
70.09474	1.4
70.09836	0.7
71.01369	0.7
73.02910	2.3
78.03452	1.4
80.05006	2.6
85.02917	2.4
86.09709	0.9
87.04497	0.6
89.00867	0.3
89.05733	0.4
94.06567	0.7
96.04498	0.8
96.92824	1.0
97.02893	1.3
98.21253	0.9
98.97604	0.5
101.00902	1.3
103.04011	0.4
104.10748	0.4
106.02927	5.3
112.99199	0.4
115.03962	1.8
119.01929	1.7
123.05563	100.0
124.03944	0.4
124.05930	1.0
133.04982	2.5
171.02504	2.4
177.01003	0.5
185.04103	1.0
189.03601	2.1
201.00946	0.7
203.05127	2.7
213.03612	3.1
214.09251	0.7
215.02525	0.7
219.02031	1.3
225.03583	0.4
231.04759	0.5
232.10352	1.4
233.03653	0.9
243.04750	1.9
255.02089	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1745
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
51.03386	0.8
53.03951	1.6
54.06066	0.7
55.05510	5.9
57.03451	4.7
67.05507	9.9
69.03429	1.6
69.07066	6.7
70.86669	1.8
71.05005	2.4
79.05486	10.0
81.03433	1.1
81.07063	8.4
83.04980	3.0
83.08627	1.3
85.06571	2.0
91.05482	9.3
93.07039	13.6
95.04979	2.3
95.08614	4.2
97.06535	4.5
97.10179	1.6
98.98466	6.1
99.08112	1.0
103.05532	1.1
105.07036	11.1
107.08596	12.8
109.06496	4.9
109.10155	3.1
115.05461	1.3
117.07032	2.5
119.08589	15.4
121.10141	3.3
123.08095	1.2
126.73564	0.9
128.06230	3.2
129.07019	3.9
131.08565	4.2
133.10115	7.3
135.08092	3.0
135.11702	8.0
141.07018	3.7
142.07758	6.2
143.08556	14.2
145.10153	7.2
147.07951	1.0
147.11734	1.6
149.09653	1.3
153.07010	2.3
155.08548	9.6
156.09344	12.0
157.10130	17.4
158.10910	1.4
159.11707	8.9
161.09656	3.5
161.13313	2.0
163.11183	1.5
165.07033	3.3
166.07776	1.2
167.08597	5.5
168.09384	1.3
169.10139	13.5
170.10936	6.2
171.08092	1.7
171.11697	25.1
172.12442	2.2
173.09662	2.0
173.13231	4.2
175.11255	1.2
179.08582	1.5
180.09363	3.3
181.10179	7.4
181.12219	1.7
182.10918	9.7
183.11697	11.8
184.12491	1.6
185.09692	3.0
185.13269	8.9
187.11220	1.9
193.10092	4.4
194.10944	1.4
195.11664	11.7
196.12444	4.2
197.09595	2.1
197.13258	42.5
198.10455	1.2
198.14023	2.8
199.11215	11.6
199.14847	3.4
207.11732	6.4
208.12473	2.6
209.13246	2.9
211.11295	1.7
211.14828	11.9
212.12213	1.4
212.15584	10.7
213.12860	8.1
213.16367	23.1
214.13503	1.7
222.14003	6.7
225.12718	4.2
226.13518	1.6
227.14287	2.2
227.18005	3.1
237.16382	14.7
240.15141	3.7
255.06622	1.2
255.17493	100.0
255.20815	9.8
256.17749	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84645	0.4
55.01873	2.3
57.03450	2.9
58.45137	0.4
61.02934	0.8
63.15928	0.4
69.03423	1.7
70.09474	1.4
70.09836	0.7
71.01369	0.7
73.02910	2.3
78.03452	1.4
80.05006	2.6
85.02917	2.4
86.09709	0.9
87.04497	0.6
89.00867	0.3
89.05733	0.4
94.06567	0.7
96.04498	0.8
96.92824	1.0
97.02893	1.3
98.21253	0.9
98.97604	0.5
101.00902	1.3
103.04011	0.4
104.10748	0.4
106.02927	5.3
112.99199	0.4
115.03962	1.8
119.01929	1.7
123.05563	100.0
124.03944	0.4
124.05930	1.0
133.04982	2.5
171.02504	2.4
177.01003	0.5
185.04103	1.0
189.03601	2.1
201.00946	0.7
203.05127	2.7
213.03612	3.1
214.09251	0.7
215.02525	0.7
219.02031	1.3
225.03583	0.4
231.04759	0.5
232.10352	1.4
233.03653	0.9
243.04750	1.9
255.02089	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23012	39.8
71.48990	48.3
82.70426	32.7
94.93034	100.0
112.89658	46.3
174.41232	50.5
176.93597	64.8
201.34650	46.8
255.06279	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93139	3.5
52.96412	3.7
57.03447	4.5
62.70253	3.1
69.80784	5.1
69.81197	12.9
77.04916	3.7
94.93015	5.5
96.92826	33.4
98.21537	3.6
106.02953	4.1
109.57377	2.9
123.05567	100.0
129.77766	3.5
133.04990	4.2
194.92847	4.0
255.06360	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	255.0653
Annotation	5,3'-Dihydroxyflavone
Peak:m/z	Relative Intensity
50.41053	0.2
53.03942	0.3
55.01868	0.2
56.67774	0.2
63.37609	0.2
65.03931	0.6
67.05486	0.4
68.99454	0.2
68.99796	2.5
69.00134	0.4
69.03427	0.5
69.07052	0.7
69.64397	0.4
69.64805	1.1
81.03414	1.0
89.74190	0.2
91.05483	1.8
93.07052	0.3
95.01337	0.6
95.08569	0.3
98.38358	0.2
98.98476	1.3
107.08605	0.7
109.02872	0.6
111.04486	0.3
111.42521	0.2
119.04956	4.4
119.08569	0.3
121.02870	0.8
121.04002	0.3
131.08588	0.4
135.08096	0.2
135.11726	0.2
137.02341	10.6
141.07004	0.6
145.01778	0.4
145.02867	5.7
145.04008	0.4
149.13304	0.4
153.07025	0.3
155.03395	1.7
157.06500	0.2
159.11707	0.3
167.59573	0.2
169.06514	0.7
171.08118	0.2
177.12759	0.4
181.06528	0.5
187.07474	0.4
199.07512	0.4
209.05933	0.3
227.06953	1.1
255.06535	100.0
256.06989	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.05520	3.9
57.07071	1.5
58.52090	0.4
67.05508	5.7
68.05419	0.5
69.07079	3.2
71.04976	0.6
71.08628	0.6
79.05492	6.4
81.03437	0.6
81.06596	0.8
81.07063	15.8
83.08607	0.7
91.05486	8.3
93.07048	10.8
95.04954	1.4
95.08611	9.5
98.98472	59.4
105.07034	16.5
107.08601	9.7
109.06496	1.0
109.10158	5.6
116.99499	1.0
117.07034	3.8
119.08595	8.9
121.10149	3.2
123.11728	1.3
128.06219	2.0
129.07001	5.4
130.07777	1.0
131.08578	15.4
133.10117	4.8
135.11684	1.7
141.06981	4.1
142.07782	3.0
143.08575	11.5
144.09315	1.2
145.09058	1.0
145.10129	14.6
147.11711	4.4
151.11221	0.6
153.06970	1.0
154.07779	1.7
155.08556	14.8
156.09430	3.2
157.10141	12.6
159.11708	10.6
161.13278	2.2
167.08575	2.0
168.09399	2.5
169.10133	11.5
170.11011	0.7
171.11702	15.7
173.13274	12.3
176.98969	0.7
179.08609	0.6
179.10675	1.1
180.09247	0.6
181.10123	1.9
182.10925	3.1
183.11705	9.6
184.12425	0.7
185.13269	5.8
187.14771	0.6
195.11690	2.3
196.12462	0.8
197.13264	20.9
198.13991	1.8
199.14842	1.4
209.13222	1.3
210.14072	1.5
211.14822	10.5
212.15584	0.8
223.14929	1.4
224.15602	1.0
225.16405	3.8
229.41632	0.8
230.14236	0.5
238.17139	0.8
244.88858	0.5
253.14200	2.2
253.19527	100.0
254.19852	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	253.18
Annotation	Cryptomerone
Peak:m/z	Relative Intensity
55.05523	5.7
57.07072	2.0
67.05529	5.5
69.03447	1.2
69.07071	20.1
70.67596	2.9
71.04993	4.3
79.05500	4.8
81.03420	1.5
81.07058	11.8
83.04958	1.4
83.08611	2.7
85.06538	3.9
91.05468	5.5
93.07056	9.1
95.04965	2.6
95.08622	11.0
97.06519	7.8
98.98473	100.0
99.04449	1.8
100.98867	1.6
102.85974	1.1
104.58323	1.2
105.07037	10.3
107.08610	8.7
109.06519	3.6
109.10157	7.9
111.08040	1.3
114.33768	1.1
116.99489	1.6
119.08580	11.4
121.06515	2.5
121.10140	9.2
123.04429	4.7
123.08069	3.2
123.11687	2.2
127.07557	3.4
128.06290	1.7
129.06979	2.0
131.08568	3.6
133.10135	11.4
135.08025	1.8
135.11714	3.1
137.09616	3.2
137.13240	1.2
139.11143	2.0
141.06929	1.3
142.07788	3.4
143.08534	4.9
145.10115	5.5
147.11745	6.3
149.09645	1.5
149.13292	1.5
151.11182	2.2
155.08559	6.8
156.09189	2.6
157.10132	7.4
159.11699	11.2
161.09613	1.5
161.13286	1.5
165.09077	2.0
167.08542	1.3
169.10124	7.5
171.11668	5.0
173.13255	4.2
174.99290	1.6
175.11172	1.6
175.14888	6.1
176.98964	1.6
177.12732	1.8
179.10706	2.7
181.10091	1.2
183.10197	1.8
183.11719	5.2
185.13364	1.6
195.11644	1.7
197.13245	11.7
199.14787	5.4
209.13290	1.8
211.14827	6.7
217.15907	17.8
225.16521	1.6
235.16966	16.3
253.08560	1.4
253.12268	3.0
253.17819	13.6
253.19614	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	253.1437
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
51.05997	1.3
52.78370	1.1
53.03944	2.4
53.87868	1.0
55.01871	6.5
55.05518	6.2
57.07061	1.5
65.03942	1.3
67.05517	9.5
69.03432	2.1
69.07071	6.2
71.04983	4.4
71.24891	2.2
79.05066	1.4
79.05499	15.6
81.03432	1.7
81.07064	32.4
83.04978	3.1
83.08614	2.1
83.17500	1.1
85.06534	2.6
87.97128	0.9
91.05486	11.4
93.07053	29.2
94.07446	1.1
95.04990	8.6
95.08612	9.3
97.06552	9.8
97.54612	1.0
98.98476	100.0
99.04455	5.5
101.06024	1.7
102.55061	1.0
105.07037	19.9
106.35627	0.9
107.04934	2.6
107.08605	15.8
109.06519	15.8
109.10143	3.4
111.08080	1.8
113.05997	2.8
117.07009	3.0
119.04948	1.9
119.08598	10.9
121.06517	43.1
121.10140	3.1
123.04447	2.5
123.08057	3.8
125.05992	2.7
127.07575	7.0
128.06215	2.5
129.07001	3.9
131.08586	4.2
133.06459	2.7
133.10159	9.3
135.04442	2.8
135.08061	7.8
135.11674	1.5
137.05972	2.4
137.09537	1.1
139.07559	14.6
139.08577	1.3
141.05502	2.7
141.06964	1.9
142.07790	2.6
143.08577	6.4
145.10130	5.6
147.08038	2.6
147.11705	15.6
151.11208	1.2
155.08542	2.2
156.09326	1.6
157.10143	12.5
159.11700	1.7
161.05908	1.2
161.09639	1.6
161.13307	6.9
165.06943	2.5
165.12790	4.7
167.95496	1.0
169.10149	2.0
171.11700	11.7
173.09668	1.7
173.13284	1.2
175.11189	12.9
176.98947	1.9
181.10162	2.1
182.10820	1.1
183.11667	1.2
189.12750	14.6
193.12308	9.4
197.13312	2.4
199.11230	13.7
207.13754	5.4
210.06891	2.0
210.44591	1.2
211.14861	1.5
217.12270	45.3
235.10973	1.7
235.13304	34.1
235.17006	2.5
253.08626	3.3
253.12112	2.5
253.14384	9.5
253.19722	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	253.1434
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03937	4.0
53.46699	1.8
54.75914	1.6
55.01855	5.5
55.05513	8.8
55.05725	1.6
57.01672	1.5
57.03426	2.0
63.36367	1.5
65.03944	2.0
67.05238	1.4
67.05508	14.9
69.03416	3.5
69.07076	10.5
70.14753	1.5
70.17222	6.2
70.17577	2.3
71.04999	11.2
79.05489	27.1
81.07059	59.2
82.49564	1.7
83.04989	11.8
83.08610	5.9
85.06528	5.4
91.05489	26.3
93.07045	61.0
95.04975	13.7
95.08595	19.1
97.06533	22.5
98.98471	100.0
99.04466	8.1
105.07037	31.6
107.04945	6.1
107.08604	25.4
109.06518	30.2
109.10149	6.2
111.08069	5.9
113.05988	4.2
117.07040	3.3
119.08591	24.2
121.06507	73.8
121.10157	10.0
123.04406	5.6
123.08054	6.4
123.11723	6.8
125.06002	14.0
127.07566	10.8
128.06250	1.9
129.06979	5.1
131.08543	7.3
133.06512	3.3
133.10141	22.0
135.04395	5.5
135.08061	13.3
137.05959	6.8
138.96404	1.5
139.07542	27.5
141.05504	2.3
142.07799	4.6
143.07047	6.3
143.08556	9.9
145.10132	7.3
147.08107	3.7
147.11690	39.6
149.09500	2.6
154.07857	1.6
155.07069	3.8
155.08574	3.4
156.09383	3.2
157.06413	2.1
157.10133	17.1
159.11769	3.2
161.09653	3.6
161.13264	12.1
165.12749	21.0
166.07742	2.8
171.11688	14.5
173.09697	3.8
174.99205	2.7
175.11166	24.1
176.99019	2.3
181.10106	4.4
189.12746	23.2
193.06325	1.8
193.12251	20.8
197.13271	2.8
199.11185	27.0
207.13826	10.7
210.08783	1.9
211.14934	2.1
212.61246	1.9
217.12236	66.5
229.14328	3.0
235.13269	41.3
235.16846	2.4
253.08661	4.3
253.14375	20.0
253.19785	9.1
253.21790	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1437
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03942	3.4
55.01864	6.8
55.05514	11.4
55.92812	1.8
57.07069	1.9
65.03954	2.6
67.05226	1.7
67.05511	18.5
69.03434	4.1
69.07073	11.6
70.81441	4.9
71.04987	9.0
74.26699	1.9
79.05505	28.2
81.06597	3.3
81.07066	57.7
83.04971	8.1
83.08619	6.7
85.06540	6.6
91.05486	19.5
93.06487	3.1
93.07054	50.3
93.88071	1.9
95.04987	12.4
95.08613	22.2
96.08145	4.4
96.79381	1.7
97.02831	1.6
97.06532	15.8
98.98478	100.0
99.04447	11.2
105.07040	32.7
107.04949	5.7
107.08611	26.9
109.06518	33.6
109.10152	8.1
111.04487	2.7
111.08062	5.2
113.06000	3.3
117.07034	2.7
117.74763	1.9
119.04922	3.8
119.08583	21.2
121.06516	92.9
121.10149	9.2
123.04449	3.9
123.08085	8.5
123.11725	6.6
125.05989	5.4
127.07555	14.7
128.06180	2.9
129.07008	8.8
131.08559	6.8
133.06477	3.4
133.10146	12.9
135.04402	7.1
135.08072	13.7
135.11743	3.5
136.07407	1.7
137.06001	6.1
139.07555	29.4
141.06978	2.6
142.07808	6.6
142.46484	1.6
143.06985	1.7
143.08580	12.1
145.10132	7.2
147.08067	6.0
147.11696	34.7
149.09547	2.3
151.07594	3.0
154.44017	1.9
155.08644	4.3
156.09291	3.5
157.08879	2.8
157.10144	20.0
159.07994	2.1
159.11697	3.7
161.06093	2.2
161.13293	9.8
165.12752	19.2
166.07820	4.8
169.10208	2.3
171.11697	25.9
173.09695	3.0
173.13292	4.2
174.99300	3.2
175.11209	23.8
176.98909	1.7
181.10141	5.4
183.11664	3.7
184.08904	2.1
189.12784	25.2
193.12282	23.2
196.13228	2.0
197.11514	1.8
197.13322	3.1
199.11205	30.1
199.12933	3.4
207.13795	13.5
217.12250	93.9
234.96518	1.6
235.13292	57.0
235.16891	2.5
243.94814	1.6
253.08687	3.1
253.14357	21.7
253.19595	10.4
253.21690	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	253.1437
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
50.75850	1.5
53.03951	6.2
55.01868	5.6
55.05506	7.3
65.03954	1.7
67.05511	15.2
69.03430	5.4
69.07061	8.6
70.13857	3.9
70.14252	4.2
71.04991	10.5
79.05502	29.3
81.03432	2.2
81.06586	3.3
81.07060	49.1
83.04983	6.1
83.08620	5.0
85.02937	2.4
85.06535	5.0
91.05484	21.6
93.07051	50.1
95.04977	11.6
95.08606	20.3
97.06535	19.6
98.20783	2.0
98.98474	50.4
99.04466	9.0
105.04512	2.9
105.07034	33.1
107.04968	10.3
107.08600	22.2
109.06529	36.0
109.10156	6.6
111.08103	6.4
113.06039	4.5
115.05508	2.2
117.07051	3.8
119.04953	3.6
119.08605	19.9
121.02892	2.1
121.06515	100.0
121.10154	5.7
123.04433	6.8
123.08075	5.1
123.11693	2.9
125.06015	5.4
127.07539	10.3
128.06253	3.2
129.07050	8.1
131.08575	7.5
133.06487	3.9
133.10126	11.3
135.04446	4.3
135.08096	10.9
135.11743	1.8
137.05991	5.1
139.07549	27.0
141.05461	3.5
142.07800	4.4
143.07019	3.0
143.08588	12.9
145.06563	2.8
145.10149	8.2
147.08080	6.1
147.11682	32.4
149.09660	3.2
151.07593	3.0
153.06982	1.8
155.08525	2.6
156.09360	5.3
157.06563	2.2
157.08867	3.2
157.10130	17.2
158.07297	2.1
159.11700	2.2
161.09604	3.0
161.13275	11.0
163.11288	2.0
165.07053	4.6
165.12756	4.8
166.07794	4.4
171.08037	2.8
171.11699	20.8
173.09595	3.5
175.07565	1.6
175.11200	21.5
177.12701	1.9
181.08621	3.3
181.10149	10.0
183.11717	2.0
184.08865	3.0
189.09067	1.8
189.12762	24.0
193.12260	15.8
199.11197	34.3
199.12889	3.0
207.13782	11.1
217.12250	88.8
235.13318	38.3
253.12155	2.0
253.14415	18.1
253.19571	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	253.1185
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
52.78995	0.4
56.05011	0.8
56.96563	1.6
57.07068	0.8
59.47122	0.5
60.04531	42.2
60.53416	0.5
62.75451	0.5
67.05502	0.6
69.03419	1.6
69.07068	0.7
70.02956	0.6
70.06596	1.0
71.18606	0.7
72.08172	0.6
79.05487	0.8
81.03446	0.9
81.07043	1.2
84.08154	1.3
85.02903	0.8
86.09696	0.8
87.05590	1.9
91.05501	1.4
93.07037	1.3
95.04986	1.2
95.08641	1.1
97.02890	1.2
98.98475	100.0
100.98888	1.3
103.05464	3.0
105.07044	1.8
107.04974	1.7
107.08612	0.7
109.10157	0.7
110.07191	0.9
116.98670	0.7
116.99525	1.5
119.08530	0.7
120.08117	70.7
121.02888	3.5
121.08446	2.2
131.04918	1.7
132.08139	0.7
136.06218	1.1
138.97336	0.5
141.05435	0.7
144.08095	1.6
146.06055	0.6
147.06326	0.6
147.08083	0.5
149.05983	1.7
154.94206	0.5
162.09189	1.8
165.05502	1.0
166.08652	40.8
174.99254	1.6
176.98933	1.6
197.11707	2.2
206.08195	0.6
207.08540	1.7
207.11319	10.4
217.08647	1.3
235.10944	2.7
253.09053	0.7
253.11885	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	252.9513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37360	0.9
52.39063	0.8
70.45910	2.3
75.69381	0.8
94.93021	100.0
98.98483	2.7
136.94048	2.6
138.48358	0.8
139.30466	0.9
152.93578	2.3
178.93303	1.0
188.54416	1.2
192.92981	4.9
194.94632	5.2
202.12488	0.9
210.94113	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	252.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.0
57.07050	2.3
67.05498	3.9
69.07084	3.4
70.98836	4.1
71.04998	62.7
72.05333	24.3
79.05481	4.5
79.32437	2.3
81.07050	7.5
83.08662	2.5
93.07052	15.1
95.08614	6.0
97.06528	3.1
98.98478	9.8
99.75033	2.3
103.05462	4.1
107.08578	10.7
109.06503	2.1
109.10140	16.3
110.09721	2.3
118.06543	6.6
119.08558	4.1
120.08120	58.8
121.10155	4.0
123.08067	2.9
125.05991	2.1
125.09638	2.9
125.15637	2.1
127.11201	90.2
128.10788	4.1
128.11536	100.0
130.83440	2.5
133.10109	2.9
135.11707	38.6
136.06209	29.2
137.06024	3.7
137.09602	5.1
138.06339	3.0
146.05998	8.5
151.11234	4.1
152.07906	2.8
165.16351	2.7
175.14769	3.3
177.09047	2.5
178.09456	6.2
188.07111	12.2
189.16412	5.5
192.06680	2.3
193.15904	8.3
206.08116	38.8
207.17430	3.8
210.18491	6.6
234.13501	4.4
234.15738	3.0
235.16884	2.7
252.14470	13.9
252.16895	4.7
252.19540	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	252.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05519	0.8
69.07041	0.7
70.02937	1.0
71.04997	4.0
71.49467	1.0
72.05325	1.7
77.03929	0.8
79.05499	2.0
81.07047	1.6
83.04988	0.6
87.00829	2.1
91.05466	1.5
93.07044	4.0
95.08598	1.1
95.91875	0.6
97.06500	1.0
98.98481	6.7
103.05472	6.4
105.07071	1.3
107.04921	0.8
107.08607	1.7
109.10159	2.7
117.07111	0.9
118.06540	9.5
119.03589	0.9
119.08540	0.8
120.08109	100.0
121.08450	0.8
121.10181	0.7
125.09636	0.6
127.11230	3.9
128.04965	1.8
128.11522	4.7
135.11694	4.4
136.06187	22.3
138.06306	0.8
145.02849	0.8
145.10118	0.7
146.06017	16.8
166.08647	2.2
175.14803	0.9
177.05524	1.6
181.23062	0.6
188.07066	18.1
192.06586	1.8
193.15944	0.9
206.08134	57.7
207.08647	0.7
210.18518	0.8
234.13564	4.0
234.15602	1.1
252.12259	0.6
252.14545	13.1
252.17014	1.1
252.19537	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	252.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68812	0.5
55.70560	0.5
68.99791	0.7
70.02953	1.0
70.62262	1.5
71.04993	1.2
79.05491	0.9
81.07037	0.6
81.19196	0.5
87.00826	2.1
91.05494	1.2
93.07041	2.3
98.98472	5.6
103.05473	7.4
107.04984	0.7
107.08598	0.5
118.06535	10.2
118.07351	0.5
120.08109	100.0
121.06495	0.6
121.08431	1.2
127.11166	1.1
128.04973	1.2
128.11566	1.4
128.90149	0.5
131.04915	0.8
135.11688	0.9
136.06195	17.0
146.06015	18.6
149.05893	0.6
161.06003	0.7
163.11281	0.6
166.08617	2.1
177.05487	0.9
188.07071	19.2
192.06584	1.4
206.08128	56.0
207.08514	0.8
216.06711	0.5
234.07622	1.1
234.13522	2.7
234.15628	0.8
252.12312	0.7
252.14534	8.7
252.19682	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
55.05511	0.8
57.03452	0.8
57.14970	0.4
67.05503	0.7
69.03452	0.6
69.07066	0.5
69.73328	2.0
70.02966	0.6
70.06602	0.6
71.04996	2.4
72.05341	0.7
79.05509	2.7
81.07050	3.2
83.04974	0.4
86.09718	0.8
87.00842	1.2
91.05492	1.3
93.07054	1.5
94.04089	0.9
95.04987	0.4
95.08602	0.5
98.06080	0.6
98.98468	7.3
103.05478	4.0
104.03481	1.8
105.07008	0.5
106.06577	1.2
107.04964	4.3
115.62003	0.4
118.06546	5.5
119.03550	3.3
120.08113	54.1
121.02869	0.9
121.06501	0.8
121.08463	0.6
121.84955	0.4
127.11182	2.6
128.04999	1.0
128.11533	3.6
131.04944	1.8
135.08069	0.6
136.06195	100.0
137.04640	1.2
146.04860	0.5
146.06010	10.7
149.06001	0.9
154.11551	0.5
166.08661	1.2
177.05399	0.5
188.07089	9.6
192.06544	2.0
206.08142	31.0
234.07826	0.8
234.13528	14.6
252.14555	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	252.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.0
57.07050	2.3
67.05498	3.9
69.07084	3.4
70.98836	4.1
71.04998	62.7
72.05333	24.3
79.05481	4.5
79.32437	2.3
81.07050	7.5
83.08662	2.5
93.07052	15.1
95.08614	6.0
97.06528	3.1
98.98478	9.8
99.75033	2.3
103.05462	4.1
107.08578	10.7
109.06503	2.1
109.10140	16.3
110.09721	2.3
118.06543	6.6
119.08558	4.1
120.08120	58.8
121.10155	4.0
123.08067	2.9
125.05991	2.1
125.09638	2.9
125.15637	2.1
127.11201	90.2
128.10788	4.1
128.11536	100.0
130.83440	2.5
133.10109	2.9
135.11707	38.6
136.06209	29.2
137.06024	3.7
137.09602	5.1
138.06339	3.0
146.05998	8.5
151.11234	4.1
152.07906	2.8
165.16351	2.7
175.14769	3.3
177.09047	2.5
178.09456	6.2
188.07111	12.2
189.16412	5.5
192.06680	2.3
193.15904	8.3
206.08116	38.8
207.17430	3.8
210.18491	6.6
234.13501	4.4
234.15738	3.0
235.16884	2.7
252.14470	13.9
252.16895	4.7
252.19540	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	251.1643
Annotation	Schiffnerone A
Peak:m/z	Relative Intensity
50.77044	0.8
55.01860	1.0
55.05509	3.6
57.03442	1.2
63.63759	0.8
67.05506	7.8
69.03433	1.4
69.07066	3.8
69.91739	0.9
71.04997	28.8
71.51517	0.9
79.05496	5.5
81.03419	3.4
81.07059	9.5
83.04959	1.5
85.06567	1.2
89.79508	0.8
89.85268	0.8
91.05470	4.7
93.07052	8.0
93.32308	0.8
95.04983	4.9
95.05506	0.9
95.08622	5.4
97.06566	1.6
98.98473	100.0
99.83076	0.9
103.05486	0.8
105.07045	6.7
107.04959	1.3
107.08573	5.2
109.06532	3.4
109.10184	6.6
111.04482	1.3
111.08038	1.0
117.07058	2.6
119.08604	5.4
121.06500	4.1
121.10167	3.4
123.04432	1.3
123.08087	3.0
123.11788	1.9
125.05995	2.1
125.09669	1.1
127.11199	55.2
127.32561	0.8
128.06248	1.0
129.07024	1.7
131.08595	5.4
133.06509	1.3
133.10184	4.6
133.11174	0.8
135.08069	4.0
135.11690	3.3
137.05988	3.6
137.09621	1.6
139.07582	0.9
143.08572	1.2
145.06531	1.4
145.10155	6.0
147.08037	1.1
147.11674	2.7
149.09639	2.4
151.07565	3.6
152.07823	1.1
153.09163	0.9
155.08528	1.1
157.10078	1.2
159.11736	3.0
161.05995	0.9
161.09657	1.9
161.13266	1.5
163.11220	3.9
165.09120	1.6
167.10649	1.2
169.10066	1.4
173.09630	2.9
173.13321	1.2
174.99284	4.2
177.09148	6.6
177.12741	1.3
179.07047	2.4
179.10703	1.3
187.11298	1.7
187.14859	2.6
191.07018	1.3
191.10693	1.9
191.14342	1.1
205.12309	2.0
205.15887	1.5
215.10707	1.7
215.14417	2.1
221.15338	1.6
233.08237	1.8
233.11804	2.2
233.15433	7.1
251.07086	1.3
251.10612	1.2
251.12578	4.4
251.16406	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	251.1644
Annotation	3beta-Hydroxy-11beta,13-dihydro-desoxo-achalensolide
Peak:m/z	Relative Intensity
55.01889	0.9
55.05520	5.4
56.96561	1.2
58.18815	0.9
62.66304	1.0
66.43632	0.8
67.05510	11.5
67.75983	0.9
69.07063	2.6
69.75780	5.8
71.04993	10.3
73.06562	1.8
75.38730	1.2
77.66412	0.8
79.05499	7.8
81.07065	14.5
81.25159	1.0
83.04972	3.9
83.08618	1.1
85.06546	19.6
88.07648	1.0
91.05486	15.6
93.07053	22.5
95.04985	2.6
95.08623	9.2
97.06536	5.5
98.98474	100.0
99.08097	1.2
103.05465	1.0
105.07037	33.4
107.08604	20.4
109.06526	2.0
109.10168	5.0
115.05434	1.4
116.99579	1.2
117.07026	10.7
119.08588	13.8
121.06509	3.0
121.10136	3.9
123.08069	3.7
125.05994	2.1
127.11220	5.1
129.07013	3.1
130.07817	1.5
131.08577	44.4
133.10146	13.1
135.08055	4.4
135.11766	2.1
137.05984	2.0
139.07579	1.0
142.07759	1.2
143.08533	3.3
144.09354	4.1
145.09048	2.0
145.10130	17.3
147.08032	1.1
147.11699	8.4
149.09615	3.0
149.13211	0.9
151.07544	2.6
153.09117	4.1
155.08626	1.2
157.10130	4.9
158.10910	2.2
159.08078	2.1
159.11699	48.3
163.07555	1.4
165.09071	2.4
167.10686	3.8
173.09767	5.0
173.13274	47.8
174.99223	3.3
175.11160	2.8
177.09126	5.0
177.12756	18.4
183.11702	4.0
187.11116	1.3
189.12756	1.2
191.10648	3.0
191.14319	26.1
201.12750	18.6
201.14499	1.6
205.12233	1.6
219.13811	28.4
221.15456	1.1
233.11821	1.5
233.15393	36.8
250.50958	1.1
251.09254	2.1
251.16394	28.3
251.20190	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1644
Annotation	Schiffnerone A
Peak:m/z	Relative Intensity
55.05512	1.7
60.84056	1.2
67.05491	4.1
69.07053	1.7
69.37596	10.4
71.05000	50.4
79.05493	2.4
81.07051	5.8
83.04948	2.7
83.08580	1.4
87.34715	1.2
91.05490	2.7
93.07024	3.7
95.04980	1.9
95.08594	4.8
97.06544	1.5
98.20778	3.1
98.98474	100.0
105.07027	4.8
107.08597	3.1
109.10143	4.2
113.81045	1.4
117.06973	1.7
119.08601	2.9
121.06503	2.2
123.08092	1.5
125.06013	2.6
127.11204	89.8
131.08543	3.7
135.08041	2.2
135.42131	1.3
137.05951	3.3
143.08449	1.7
145.10187	1.9
147.11710	2.1
148.93878	1.4
149.09547	2.6
151.07526	5.0
157.10133	1.8
159.11662	3.7
159.20508	1.4
163.11174	3.2
165.08917	1.4
174.99242	2.8
175.11220	2.3
177.09096	7.2
177.12695	1.6
181.12181	2.1
233.11801	2.2
233.15349	5.8
251.16394	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	251.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77368	2.1
59.14143	1.9
64.10691	1.9
69.38618	13.0
69.39032	4.3
71.05000	45.8
77.81625	1.7
98.98473	3.7
109.81997	1.7
122.58537	1.9
127.11208	100.0
131.71873	1.8
137.05981	4.1
151.07529	2.5
152.07967	2.5
175.39740	1.7
177.09160	3.3
243.90489	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1644
Annotation	Schiffnerone A
Peak:m/z	Relative Intensity
52.14530	0.8
67.05492	0.9
70.41742	3.1
71.04999	41.9
77.18031	0.8
93.07078	0.9
97.06563	0.8
98.21482	1.1
98.98491	7.5
100.82597	0.9
104.36069	0.8
105.07056	1.1
107.08578	1.2
109.10154	1.3
121.06457	1.3
121.10212	1.0
123.08157	1.0
127.11201	100.0
131.08551	1.2
137.05992	4.4
149.09595	1.0
151.07513	2.6
160.10699	0.9
177.09161	5.0
233.15440	2.3
251.10614	1.2
251.16380	1.9
252.80255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56320	1.2
70.40922	4.8
70.82043	1.1
71.05000	50.0
79.05489	2.2
81.07066	1.8
93.06985	1.4
95.08652	1.2
98.98466	16.8
105.07040	1.4
106.40730	1.3
107.08603	1.7
109.10186	2.4
121.06553	1.4
121.10148	1.7
125.05943	2.1
127.11209	100.0
137.06000	2.9
150.44121	1.2
151.07558	2.8
160.13000	1.4
177.09158	1.7
212.82249	1.3
233.15273	1.4
250.76823	1.3
251.16484	3.5
268.11621	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1644
Annotation	Schiffnerone A
Peak:m/z	Relative Intensity
50.57109	1.2
52.15696	1.6
54.63713	1.2
64.80144	1.2
66.01186	1.1
71.03979	2.1
71.05001	51.5
98.98480	6.7
109.10195	2.6
120.82956	1.2
121.06539	1.2
127.11205	100.0
135.08154	1.6
137.05972	4.1
140.98837	1.1
145.19826	1.3
151.07530	3.7
156.29887	1.1
161.20885	1.2
165.09026	1.2
177.09196	3.2
192.91081	1.1
233.15367	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1644
Annotation	Schiffnerone A
Peak:m/z	Relative Intensity
55.05502	2.7
56.96571	3.4
65.88019	1.2
67.05501	5.0
69.07057	2.4
69.64431	7.2
69.64838	2.8
71.04996	24.5
79.05499	4.2
81.03417	4.6
81.07059	5.3
84.71567	1.3
91.05472	4.8
91.43169	1.6
93.07058	5.2
94.00253	1.4
95.04958	4.9
95.08598	3.4
97.99178	1.5
98.98476	100.0
99.04481	1.9
105.07022	7.4
107.08602	4.1
109.06513	3.2
109.10188	3.5
117.07063	2.5
119.08605	3.3
121.06551	3.0
121.10156	2.2
123.08112	1.6
127.11202	53.8
131.08578	6.0
133.10130	1.7
135.11763	1.5
137.05981	4.0
140.01060	1.6
143.08592	1.6
145.10132	3.8
151.07536	4.3
151.11200	2.6
159.11714	2.1
163.07457	1.5
173.13303	1.7
174.99258	2.4
177.09108	2.5
187.14838	1.5
191.10596	2.2
195.11761	2.3
205.15874	1.6
233.11841	1.7
233.15392	7.3
251.12784	4.5
251.16115	8.6
259.99805	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1279
Annotation	Lachnumfuran A
Peak:m/z	Relative Intensity
53.03945	2.3
54.87955	0.9
55.01860	3.6
55.05517	6.4
57.03434	1.0
57.07085	1.2
65.03955	1.6
65.91410	0.9
67.05510	12.0
68.99796	10.4
69.03431	5.4
69.07077	6.7
70.97090	1.2
71.01331	1.7
71.04987	7.8
73.65879	0.9
76.35772	1.1
79.05502	17.0
81.07062	23.9
83.04983	7.3
83.08615	1.4
85.02911	1.4
85.06525	2.9
91.04967	1.6
91.05482	14.5
93.07047	39.5
93.07641	1.9
95.04969	8.5
95.08613	10.7
97.02902	1.1
97.06547	10.1
98.98469	100.0
99.04439	3.3
100.18391	1.1
105.04514	1.3
105.07034	17.4
107.04959	8.2
107.08589	27.1
109.06525	12.5
109.10144	3.9
111.04440	2.7
111.08074	3.5
113.06001	4.0
115.05480	1.0
117.07034	7.0
119.04928	0.9
119.08582	7.7
121.06512	30.7
121.07384	1.7
121.10147	18.2
123.04449	4.1
123.08061	2.6
123.11719	0.9
125.05992	10.2
125.09631	1.7
127.07549	2.2
127.11206	3.7
128.06238	1.3
129.06956	2.4
130.07765	3.1
131.08585	6.2
133.06471	2.5
133.10095	2.8
135.04427	2.9
135.07115	1.5
135.08061	14.3
135.11673	4.8
137.05989	10.2
137.09605	5.2
139.07529	4.0
140.43657	1.1
141.05450	2.3
141.07106	1.2
143.08553	2.7
144.09322	1.4
144.84366	0.8
145.06522	3.0
145.10136	21.4
145.11292	1.2
147.08067	4.4
147.11661	3.8
149.05917	2.8
149.09618	3.4
151.07556	4.2
153.05457	2.2
153.09117	1.5
154.07741	1.3
155.07159	0.9
155.08519	1.4
158.07274	2.1
159.08066	4.5
159.11705	8.9
161.06018	5.1
161.09604	1.9
161.13264	1.5
163.03955	1.1
163.07547	4.0
163.11188	30.6
165.05508	3.5
167.10683	2.6
169.10083	1.6
173.09654	5.5
174.99234	2.8
175.07520	1.1
175.11179	1.2
177.05446	2.2
177.09126	2.5
177.12758	3.9
181.12236	6.6
187.11200	12.2
187.14850	1.4
189.12769	1.6
190.07613	0.9
191.07025	1.7
191.10689	13.0
197.09671	1.4
205.12234	11.2
207.13933	1.7
209.11713	7.8
215.10732	10.6
215.14220	1.1
233.08098	1.8
233.11743	22.7
233.15382	2.3
251.10585	1.0
251.12794	17.9
251.16174	4.9
251.20193	1.6
254.88943	0.8
266.45926	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95076	0.8
53.03943	1.6
55.01867	1.6
55.05499	1.6
56.05034	1.9
56.96573	10.4
57.03431	1.8
59.05003	0.9
67.05500	1.6
69.03421	4.2
69.07079	6.8
70.06580	1.9
70.98122	2.6
71.04992	1.2
71.49673	1.1
72.08160	8.5
73.02894	1.5
73.08489	3.7
74.06075	1.6
79.05482	3.7
81.03427	2.2
81.07072	1.0
84.04501	1.0
84.08160	1.6
84.96027	1.7
85.02910	3.0
85.06565	1.0
86.09709	3.4
87.04434	1.1
88.99161	2.4
91.05503	1.9
93.07056	1.1
95.08604	1.5
97.02889	3.3
97.06542	11.4
98.05941	0.9
98.97590	10.7
98.98466	51.2
99.97897	1.3
103.05493	1.1
105.06288	0.9
105.06950	1.2
109.02859	1.3
110.07178	2.1
110.97581	1.1
114.05541	1.2
116.71813	0.9
116.98630	4.0
116.99476	1.3
118.82204	1.0
119.03525	1.8
119.04952	1.1
119.08665	1.1
120.08130	2.5
121.01699	2.1
121.02808	1.3
128.98621	2.8
131.00063	1.0
131.72353	1.1
133.03160	1.0
134.99651	1.3
135.05418	1.0
136.06201	79.2
137.04613	1.2
137.05864	1.0
138.06351	1.1
143.00162	1.3
144.06625	0.9
146.34171	0.9
146.99669	3.2
147.04398	2.8
148.06226	1.2
156.06499	1.4
158.99673	2.0
163.03877	1.2
163.07410	1.4
164.07874	2.2
165.00679	2.7
174.07747	1.5
174.99179	2.1
175.07368	1.0
176.07924	2.5
177.00682	1.6
178.09506	1.4
185.03012	1.2
186.02220	1.0
188.09323	1.0
190.09503	1.3
197.01515	1.0
201.04289	0.8
205.00262	2.4
219.01805	2.0
223.01320	1.1
232.11969	15.5
232.14107	1.7
250.13023	100.0
251.13359	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1488
Annotation	Quadrone
Peak:m/z	Relative Intensity
53.03952	3.5
55.01882	3.5
55.05511	7.5
57.03423	4.6
60.02136	2.8
62.73277	3.1
65.03899	3.0
67.05517	22.6
69.03417	9.6
69.07076	32.7
71.04980	5.1
71.28024	5.2
78.60452	3.5
79.05505	26.3
81.03363	3.5
81.07063	40.7
83.08616	3.9
85.02896	20.3
91.05493	30.0
93.07052	49.9
95.04955	8.7
95.08624	41.3
97.06516	4.0
103.05511	4.0
105.07034	46.5
107.05021	3.6
107.08601	29.9
109.06509	5.8
109.10165	41.2
111.08064	4.9
113.02374	10.1
115.05429	4.1
117.07008	9.9
119.08612	36.6
121.06503	23.7
121.10155	100.0
123.04419	7.0
123.08082	8.1
125.05991	3.0
128.06221	5.0
129.06993	8.9
131.08543	13.4
131.09415	3.2
133.06461	10.1
133.10098	11.0
135.08054	14.2
137.05922	17.2
137.13231	5.9
139.03876	4.3
139.07596	3.0
143.08574	21.2
145.06488	3.3
145.10124	19.5
147.08054	10.6
147.11653	8.8
149.05978	9.6
151.07573	9.7
155.08504	3.2
156.09389	4.2
157.10175	10.4
159.11681	9.2
161.06009	7.6
161.09610	14.7
161.13271	12.5
163.07547	25.3
165.07001	4.0
171.11646	6.1
175.07532	22.1
175.11183	12.0
175.14832	7.5
177.09111	4.5
180.21797	3.4
185.13309	23.5
189.09109	10.4
189.12744	7.8
191.10681	8.9
193.08638	13.1
203.14334	27.6
213.12747	12.2
215.05890	3.3
221.15337	4.1
231.13815	85.7
243.39700	3.3
249.11296	8.2
249.14832	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	250.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03443	0.4
67.05521	0.5
67.19308	0.3
69.07074	3.6
69.77211	0.9
69.77621	0.9
71.05004	0.4
79.05499	1.1
81.07065	0.3
82.24278	0.3
91.05500	0.6
93.07085	0.3
94.04054	0.9
97.06531	2.6
98.21476	0.7
98.98478	4.6
119.03547	2.2
120.08066	0.4
131.08546	0.4
136.06197	100.0
137.04593	0.5
137.06540	1.0
152.05673	1.7
163.07574	0.8
164.07878	1.0
174.07793	1.2
176.07857	0.7
186.13568	0.3
189.03970	0.4
189.71617	0.3
214.10878	0.3
232.12021	0.5
232.14178	0.6
250.13007	99.0
251.13332	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1486
Annotation	5-Hydroxy-11beta,13-dihydroziniolide
Peak:m/z	Relative Intensity
51.46741	2.7
53.48486	2.6
54.05801	2.7
55.05504	9.4
57.07606	2.7
67.05503	9.5
69.03427	15.8
69.07063	8.5
70.16386	6.2
70.16778	6.8
74.29041	2.8
79.05485	11.4
81.07047	23.3
83.04993	4.9
91.05490	22.6
93.07056	16.3
95.04940	6.0
95.08600	12.9
97.06524	15.6
98.21515	3.4
98.79572	3.0
105.07048	38.9
107.04995	3.5
107.08600	36.5
109.06513	12.2
109.10126	3.4
117.07006	6.0
119.08580	47.0
121.06494	8.6
121.10158	6.1
123.08071	12.9
129.06995	6.7
131.08562	17.2
133.06450	5.1
133.10136	37.7
135.08083	9.0
142.07814	15.9
143.08563	17.0
145.10123	13.4
147.08037	15.3
147.11687	30.4
149.09592	4.3
149.32617	3.1
151.07516	5.3
157.10130	44.5
158.10863	3.6
159.11679	8.4
160.08873	3.2
161.09615	24.0
161.13255	6.7
170.10893	3.8
171.11607	3.7
173.09641	11.1
175.07574	3.6
175.11188	70.7
175.14803	25.0
176.11859	5.1
177.09134	3.9
183.08185	3.7
185.13254	25.1
189.09122	5.4
191.10652	4.1
203.14310	47.5
213.12785	11.2
221.15320	10.4
231.13820	57.1
249.14870	100.0
249.17439	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	249.1485
Annotation	Heliannuol G
Peak:m/z	Relative Intensity
54.01065	1.3
55.05503	5.0
57.07082	1.3
60.60449	1.2
67.05486	4.1
69.03419	4.9
69.07054	5.5
71.11390	2.3
71.11708	1.3
79.05493	4.6
81.07054	9.4
81.63070	1.2
83.01344	2.2
83.08613	1.6
85.06552	2.4
91.05477	5.2
91.73688	1.4
93.07049	2.6
95.04971	3.4
95.08611	7.8
96.90516	1.2
105.07020	10.2
107.05012	2.1
107.08590	7.7
109.06525	3.9
115.05421	1.9
119.08604	6.2
121.06506	19.9
121.10211	1.7
123.08059	5.8
125.09622	3.1
128.06255	5.3
129.07013	5.6
131.08597	2.6
133.06468	2.5
133.10074	2.2
135.07991	8.0
137.05983	45.5
142.07742	1.5
143.08578	7.6
145.06479	2.8
145.10127	4.2
147.08070	8.3
149.06010	2.9
149.09645	9.5
151.07555	39.0
157.06509	3.3
157.10199	1.5
158.07274	1.9
159.08083	3.7
160.05269	7.1
161.06039	10.9
161.09610	5.3
162.06758	2.9
163.07574	11.8
163.11168	1.4
165.09084	2.9
171.08153	1.6
173.09592	3.1
174.06801	9.6
174.08109	1.9
175.07561	100.0
175.11095	6.2
176.08328	7.8
177.09129	49.4
177.10672	2.4
180.16199	1.3
188.08347	9.4
189.09116	44.9
191.10678	60.0
198.10484	1.2
201.09108	1.3
202.09955	3.1
203.10609	1.8
203.14287	1.8
213.12848	1.8
216.11415	2.6
231.13802	55.7
234.38818	1.3
249.14861	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	249.1487
Annotation	Heliannuol G
Peak:m/z	Relative Intensity
55.05523	2.6
57.03440	2.3
57.07060	1.6
64.95365	1.2
67.05498	4.7
67.72990	1.2
69.03436	7.0
69.07044	3.9
71.04978	1.3
71.10372	2.6
79.03038	1.4
79.05495	4.3
81.07062	7.2
83.08605	2.1
85.06556	2.7
91.05511	7.5
93.07065	3.5
95.08601	7.3
97.02893	2.3
97.10172	1.6
105.07022	5.6
107.08620	6.3
109.06541	6.0
109.10200	1.7
117.07020	1.7
119.08611	6.6
121.06517	18.7
122.66768	1.4
123.04463	2.5
123.08090	6.4
125.09608	2.5
128.06230	3.5
129.07014	5.1
131.08539	2.7
133.06496	3.2
133.10107	2.6
135.08061	8.3
137.05995	46.6
142.07742	1.4
143.08630	6.6
145.06529	3.2
145.10114	4.5
146.07314	1.2
147.08014	8.4
147.11603	2.0
149.05998	2.8
149.09616	7.2
151.07555	41.3
153.12909	1.1
157.06493	3.1
157.10165	1.5
159.08031	3.7
160.05228	6.1
161.06035	10.8
161.09627	6.1
162.06761	3.9
163.07576	12.2
163.11208	2.1
165.09174	1.9
171.08078	1.6
173.09668	2.7
174.06773	7.3
175.07565	100.0
175.11200	4.1
176.08353	11.2
177.09125	49.7
188.08340	10.1
189.09129	33.7
191.08948	2.8
191.10678	56.1
202.09921	4.6
203.14336	1.3
213.12906	1.7
216.11470	1.8
221.84509	1.4
231.13820	49.0
249.14876	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	249.1487
Annotation	Wutaipyranol
Peak:m/z	Relative Intensity
53.11985	1.0
55.05508	2.3
67.05501	2.0
69.03412	3.7
69.07058	3.4
70.43803	2.7
71.04986	4.1
72.99301	0.8
79.05490	4.2
81.07056	3.8
83.01335	2.2
85.06535	2.3
91.05488	5.8
93.07030	1.2
95.08612	5.8
97.02872	1.7
102.25496	0.9
104.25085	1.0
105.07041	5.6
107.04950	2.2
107.08593	6.2
109.06504	4.0
115.05447	1.6
117.07018	2.7
119.04917	1.4
119.06097	1.1
119.08566	4.0
121.06508	16.7
123.04436	1.2
123.08051	4.1
125.09615	1.8
128.06213	2.9
129.07016	5.3
129.07832	1.1
131.08614	2.6
132.05702	1.6
133.06505	2.8
135.08044	11.5
136.06129	1.1
137.05988	43.6
143.08582	5.5
145.06487	2.7
145.10114	1.3
147.08052	6.3
149.05952	2.7
149.09639	7.7
151.07549	40.8
157.06471	3.4
159.08076	2.3
160.05237	7.8
161.05988	6.7
161.09633	3.3
162.06766	3.1
163.07562	33.1
163.11165	1.2
165.09065	1.8
168.67400	1.2
171.08022	2.8
173.05885	0.9
173.09752	1.0
174.06778	8.5
175.07553	100.0
176.08321	5.4
177.09114	46.3
177.10675	2.1
187.07538	2.3
188.08305	8.6
189.07408	2.0
189.09126	38.1
191.10683	23.3
199.86095	1.0
202.09914	4.6
203.10628	1.9
203.14340	1.0
216.11453	1.6
231.13797	18.4
249.14862	18.3
249.80656	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1487
Annotation	Parthenolide
Peak:m/z	Relative Intensity
53.03944	4.2
55.05513	9.0
60.32367	3.2
67.05505	12.7
69.03433	23.3
69.07060	9.8
69.12485	3.6
70.75810	6.4
70.76150	4.8
71.04969	5.4
79.05492	13.4
81.03342	3.4
81.07059	26.4
83.04978	5.7
83.08642	3.1
88.39594	3.5
91.05488	30.3
93.07047	34.3
94.68700	3.3
95.04955	11.6
95.08611	25.7
97.06507	4.8
103.05420	3.8
105.07032	52.5
107.08611	27.0
107.80916	3.8
109.06522	13.2
109.10165	12.0
111.08096	7.5
115.05481	5.3
117.07024	16.8
119.08596	38.8
121.06497	14.6
121.10167	29.4
123.04376	5.2
123.08089	4.8
128.06241	10.9
129.07034	14.8
131.08565	31.0
133.06520	4.1
133.10103	22.5
135.08083	14.3
135.11691	12.5
137.05968	6.5
139.03963	5.6
141.06888	3.4
142.07806	5.9
143.08565	42.5
144.09387	4.5
145.06516	5.9
145.10149	31.3
147.08070	18.7
147.11691	8.5
149.06018	4.2
149.09624	13.1
151.07512	6.6
155.08582	4.9
156.09346	6.8
157.10175	36.1
159.11684	35.8
161.06017	5.6
161.09622	19.5
161.13280	7.8
163.07550	11.1
163.11288	5.7
164.11964	5.6
170.10960	4.9
171.08052	7.0
171.11739	7.5
175.07564	19.0
175.11212	11.4
175.14743	5.0
177.09174	4.0
179.07025	3.6
185.13280	57.9
187.14793	3.8
189.09097	11.5
189.12769	13.6
191.10638	5.1
193.08627	11.9
195.11757	14.8
203.10741	4.7
203.14326	47.1
205.12273	4.0
213.12733	24.5
216.08884	3.6
231.13824	100.0
249.11165	6.0
249.12187	2.8
249.14880	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	249.1487
Annotation	Quadrone
Peak:m/z	Relative Intensity
55.05489	3.4
56.37514	1.1
64.74809	1.1
65.85854	1.1
65.99496	1.1
67.05507	16.8
68.99780	1.3
69.03404	1.8
69.07061	6.3
70.01774	5.6
70.02156	1.8
71.04996	6.6
79.05492	1.4
81.07069	5.5
83.04971	1.4
91.05465	3.0
95.04957	1.3
95.08618	2.3
97.06506	1.2
97.10204	1.2
105.03370	1.5
105.07030	1.8
107.08599	3.7
107.39472	1.2
109.06505	1.7
109.10157	17.6
111.04457	19.1
111.11745	1.5
121.06500	5.9
123.04427	8.4
123.08113	1.4
124.05201	1.9
125.05987	3.9
125.09634	1.7
133.10092	1.3
135.08078	4.1
137.05023	1.5
137.05994	17.8
139.03911	46.5
139.07515	2.6
141.05460	2.0
147.07979	2.0
149.05972	2.1
151.03906	8.6
151.07555	29.3
153.05473	3.0
161.09612	1.4
163.07564	10.3
165.05492	7.5
165.09102	6.4
167.07033	12.3
175.07555	8.2
177.09129	4.5
178.06232	2.3
179.07030	1.5
181.08577	4.4
189.09126	4.0
193.08621	100.0
203.14334	1.5
231.13867	11.5
249.14885	35.9
267.84305	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1487
Annotation	Heliannuol G
Peak:m/z	Relative Intensity
55.05503	6.1
55.70917	1.9
57.03419	2.6
62.25912	1.9
67.05499	5.9
67.65719	1.9
69.03429	7.3
69.07061	4.4
70.40440	3.8
71.05000	29.1
79.05493	7.9
81.03450	2.5
81.07071	9.9
83.04986	3.4
83.08617	6.3
85.02898	4.7
85.06575	2.2
87.00847	2.9
91.05470	9.8
93.07073	4.9
95.08603	5.3
97.10163	4.6
99.08112	2.0
105.07022	8.5
107.04954	3.1
107.08603	23.2
109.02873	2.1
109.06510	7.3
109.10148	4.8
114.37225	1.8
115.05460	3.3
117.07026	6.5
118.36269	2.0
118.45822	2.1
119.08623	4.9
121.06525	6.1
123.04474	3.6
123.08101	2.4
125.09608	6.3
129.07024	2.7
133.10167	3.6
135.08067	36.4
137.05988	68.8
145.06465	4.7
147.08040	3.3
149.09621	5.3
151.03929	14.5
151.07541	24.1
159.08098	2.5
161.05984	9.2
161.09618	9.2
163.07559	93.5
165.09091	4.0
174.06772	3.7
175.07573	38.7
177.09143	13.6
179.07101	3.4
188.08290	6.6
189.09155	20.5
191.10724	2.5
193.08620	9.7
203.10590	3.2
203.14267	5.6
229.39058	1.9
231.13812	100.0
238.12138	2.2
249.14876	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1487
Annotation	Heliannuol G
Peak:m/z	Relative Intensity
57.07104	0.6
67.05517	1.1
69.03428	2.0
69.07078	0.6
70.95435	1.3
71.05002	10.4
71.41018	0.5
79.05499	1.8
81.07056	0.8
83.04971	0.9
84.05437	0.6
84.22842	0.6
85.02897	1.3
91.05467	3.3
93.07030	1.4
95.04960	1.0
95.08618	1.2
97.02890	0.7
100.06635	0.7
103.05450	0.7
105.07065	3.0
106.70623	0.6
107.04948	1.5
107.08595	6.3
109.06509	1.3
115.05440	1.6
117.07038	3.9
119.08585	1.5
121.06470	1.7
125.09619	4.0
128.06253	1.1
129.56358	0.5
131.08595	0.8
133.06439	0.8
133.10088	0.7
135.08061	29.0
137.05984	6.7
143.08549	1.1
145.06505	2.7
147.08083	0.8
149.09660	1.1
151.07564	3.7
157.10190	0.7
159.08112	1.1
161.05919	1.4
163.07552	100.0
164.07895	1.3
174.06757	0.9
175.07574	10.7
175.10973	1.0
177.09048	3.4
179.10652	1.3
189.09082	3.8
191.10629	3.1
202.09860	0.7
213.12747	0.6
231.13812	7.8
249.11249	1.6
249.14830	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	249.1489
Annotation	Wutaipyranol
Peak:m/z	Relative Intensity
55.01860	0.8
55.05513	2.5
57.03439	1.1
57.07075	1.5
67.05499	3.2
69.03430	4.9
69.03743	0.8
69.07072	3.4
69.84611	2.1
69.85019	3.2
71.04984	2.8
71.90896	1.0
79.05515	5.1
81.07056	5.2
83.01343	1.9
83.08637	1.0
85.06537	3.5
89.94526	0.8
91.05470	6.7
93.07051	2.0
95.04980	1.0
95.08624	7.3
97.02892	2.1
101.06243	0.9
103.05463	1.4
105.07020	4.9
105.58621	1.0
107.04974	1.5
107.08602	5.8
109.06544	4.4
109.10220	1.4
115.05450	1.4
117.07029	3.0
119.08584	4.2
121.06503	14.6
121.10141	1.1
123.04455	1.2
123.08072	4.4
124.23756	0.9
125.09660	1.0
128.06236	3.0
129.07013	5.2
131.08600	2.7
132.05725	1.5
133.06493	2.7
133.10204	1.4
135.08064	13.3
136.06215	2.7
137.05986	41.1
143.08575	3.7
145.06522	3.1
145.10118	2.0
147.04417	1.3
147.08070	7.1
149.06020	1.2
149.09624	7.6
151.07550	41.9
157.05283	0.9
157.06474	4.8
159.08101	2.6
160.05196	8.1
161.06012	5.8
161.09654	4.6
162.06757	2.4
163.07558	29.2
163.11288	1.3
165.09143	1.8
171.08080	2.6
173.09702	1.4
174.06799	9.9
175.07559	100.0
176.08286	5.7
177.09116	49.4
185.13232	1.1
187.07599	2.0
188.08290	8.3
189.09123	36.9
191.10695	21.1
202.09918	3.9
216.11627	1.2
231.13808	17.2
249.14877	17.4
250.12946	2.1
265.39850	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	13.8
58.06607	13.3
63.13593	12.8
70.98114	17.1
70.98944	28.1
73.02907	19.8
78.63384	12.8
80.86024	13.5
88.99096	13.8
94.93019	100.0
98.97588	48.5
101.00936	14.4
108.64532	11.7
117.75018	12.1
119.01978	18.1
121.54549	11.1
132.10220	57.4
133.80630	12.0
142.28934	12.8
146.99669	22.5
147.05080	11.6
189.00662	18.6
196.66626	12.6
206.88622	28.9
232.07820	12.1
248.89708	18.4
249.03716	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	249.1486
Annotation	Heliannuol G
Peak:m/z	Relative Intensity
55.05503	4.0
57.03423	1.2
65.75925	1.0
67.05507	9.9
69.03432	3.0
69.07063	5.4
71.04982	3.4
71.50056	1.0
77.97671	1.0
79.05500	7.7
81.07066	7.6
83.01358	1.7
83.04991	1.7
85.02897	4.1
91.05482	9.2
93.07052	5.5
95.04965	4.0
95.08595	7.0
97.10178	1.1
105.07034	12.1
107.04938	2.0
107.08628	7.4
109.06519	5.0
109.10137	5.7
111.04448	5.1
115.05487	2.6
117.07016	4.9
119.08578	8.2
121.06502	8.9
121.10140	1.6
123.04423	2.3
123.08079	2.7
125.05976	1.9
128.06244	6.7
129.07008	9.2
131.08572	6.0
133.06506	3.6
133.10135	5.0
135.04463	1.3
135.08052	7.2
137.06003	20.9
139.03906	13.8
139.07541	1.3
141.07001	1.5
142.07784	3.3
143.08591	10.5
145.06497	2.6
145.10147	10.4
146.07199	1.7
147.08057	8.9
147.11691	3.1
149.05952	1.9
149.09644	3.2
151.03951	1.8
151.07558	29.3
151.08681	1.0
153.05487	1.2
153.06902	1.4
156.09395	2.9
157.10136	5.4
159.08051	4.1
159.11690	3.9
160.05232	5.3
160.08810	1.7
161.05981	4.9
161.09590	8.2
161.13283	2.7
163.07568	9.8
163.11227	1.8
165.09102	4.2
167.07050	3.0
171.08075	3.9
171.11705	5.0
173.09650	3.0
174.06812	5.5
175.07562	100.0
175.11050	7.5
175.14720	2.1
176.08215	2.8
177.09103	4.0
185.09648	3.5
185.13263	4.7
187.07454	1.8
187.11258	1.5
188.08310	2.9
189.09122	22.3
189.12770	3.6
191.10678	34.4
193.08621	28.5
198.10420	2.0
201.12703	1.4
202.10028	1.3
203.10770	6.8
203.12265	1.2
203.12558	1.1
203.14330	9.8
213.09222	2.7
213.12759	4.1
219.13815	3.3
231.10152	4.0
231.13799	30.2
249.11174	4.4
249.14877	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97987	1.4
56.96302	1.9
56.96569	28.2
70.43361	4.1
70.98126	45.1
79.38420	1.1
82.65284	1.2
84.96011	1.4
86.97598	1.5
88.99170	22.8
98.97589	100.0
100.99158	5.3
106.17416	1.3
107.00217	2.9
110.97597	2.4
111.51582	1.4
112.99212	1.9
116.98627	27.0
119.00167	1.7
119.01951	2.3
127.00722	2.3
128.98616	35.6
131.00185	4.4
132.10191	2.0
134.99669	4.1
143.00201	8.7
145.01747	3.1
146.99669	44.9
149.01212	1.7
158.99643	4.7
161.01283	4.9
161.02930	1.4
163.02762	1.9
165.00731	20.6
165.05957	1.4
177.00734	3.7
183.01732	1.7
185.66118	1.2
189.00728	41.6
198.84348	1.4
207.01793	37.5
207.05141	2.0
215.56610	1.3
225.02937	4.4
226.05643	1.4
249.02727	6.6
261.83469	1.2
267.03986	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	248.8969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67780	0.6
70.19893	1.5
70.20297	1.4
94.93018	100.0
98.21474	0.7
150.92000	3.2
206.88602	22.5
248.89684	17.2
248.91870	0.5
249.03775	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
51.02379	1.9
53.03951	7.2
55.01882	11.5
55.05515	12.2
56.96568	10.5
57.03445	10.6
57.07071	7.5
59.05012	2.2
59.65225	1.9
61.02927	2.2
65.03933	3.6
66.12732	1.6
67.05508	13.5
68.99784	2.7
69.03429	21.2
69.07079	10.6
69.25396	1.8
70.06628	1.8
71.04981	5.2
71.50080	2.0
71.50518	2.7
72.04553	1.7
73.02914	8.4
79.05505	19.9
80.05029	3.3
81.03413	9.8
81.07062	22.4
83.04986	7.1
83.08618	4.9
85.02902	15.8
85.06550	7.2
91.05485	41.6
93.07050	31.8
95.04970	25.1
95.08610	27.0
97.02905	5.5
97.06529	10.9
98.06046	3.5
98.21367	2.3
98.97585	13.9
99.04459	2.5
103.05461	7.2
105.04492	2.4
105.07036	47.4
107.04967	4.5
107.08599	37.3
108.04492	10.1
109.02889	7.6
109.06536	18.3
109.10139	9.9
110.97552	5.5
115.05480	10.4
116.06255	5.9
116.98643	4.0
117.07028	24.6
119.01846	2.4
119.04947	5.1
119.08597	33.3
121.06522	19.4
121.10146	22.3
123.04449	3.5
123.08092	7.5
123.11728	2.5
124.05233	4.1
125.05980	2.3
126.05523	5.7
127.03981	2.9
128.06245	11.8
128.98511	2.0
129.07013	22.4
130.07784	13.7
131.04959	3.3
131.08582	44.3
132.05646	2.0
133.06456	4.5
133.10150	20.7
135.04446	2.8
135.08075	18.5
135.11728	7.5
137.05960	11.5
141.06984	11.0
142.07817	9.3
143.08586	17.7
144.05717	6.7
144.09340	4.9
145.06525	10.8
145.10135	72.5
147.08054	22.4
147.11720	15.3
149.06013	6.6
149.09610	16.4
150.06773	6.2
151.03925	24.8
151.07579	7.6
151.11133	3.5
153.06999	4.8
154.07808	3.4
155.08560	26.9
156.04391	3.2
156.09338	4.9
157.06549	4.5
157.10170	12.2
158.07307	7.0
159.08061	34.8
159.11700	34.4
161.05992	13.0
161.09622	10.6
161.13315	2.9
162.06764	3.9
163.07558	7.7
163.11230	8.7
165.06989	2.9
165.09174	4.3
167.08607	2.7
168.09344	2.8
169.06551	3.5
169.10162	9.0
170.11005	2.5
171.08043	3.8
171.11694	10.7
172.08940	2.8
173.06047	5.5
173.09636	45.4
173.13240	11.3
174.06784	2.8
175.03831	3.7
175.07544	12.5
175.11201	2.9
176.58128	2.3
177.05516	6.1
177.09129	9.9
181.10307	3.3
183.04956	4.8
183.08064	13.4
183.11780	6.2
185.09636	4.1
185.13310	7.3
186.06699	2.6
187.07576	12.1
187.11237	10.0
187.14851	8.0
188.01514	2.9
189.09114	6.3
189.12784	6.0
190.06238	28.5
191.03453	2.7
191.07068	7.6
191.10701	18.2
192.05463	7.7
196.12527	5.3
199.11183	5.6
201.00681	2.4
201.06152	4.1
201.09137	47.6
201.12830	13.6
201.14709	2.3
201.16322	13.0
203.07050	5.8
203.10722	5.4
205.08617	7.4
205.53027	2.9
206.02557	14.5
211.07600	6.2
211.11299	4.3
211.14822	10.1
213.05991	6.4
214.13541	6.4
214.53265	2.6
219.10229	4.5
219.13829	2.4
221.04813	3.0
223.02853	2.4
224.03575	19.9
226.04922	6.8
229.08661	22.3
229.12321	19.5
229.15895	46.1
235.05513	6.9
239.05850	14.6
240.06287	3.1
240.52301	2.4
247.09709	100.0
247.13338	28.0
247.16978	79.5
247.20647	2.6
253.03780	3.3
257.07034	4.6
263.05817	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	247.1693
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03940	3.5
55.01860	9.8
55.05523	12.8
56.96561	11.4
57.03427	9.4
57.07064	8.3
59.04988	5.7
65.03932	2.5
67.05509	19.4
69.03427	22.6
69.07068	14.2
71.01336	2.6
71.04993	5.7
71.51151	4.0
73.02906	9.3
79.05499	20.0
81.03410	7.4
81.07059	27.3
83.04986	8.8
83.08616	4.1
84.96017	2.5
85.02901	15.9
85.06535	8.4
87.55509	2.2
91.05482	43.0
93.03409	2.0
93.07036	33.6
95.04961	27.9
95.08607	27.7
97.02895	9.5
97.06544	11.0
98.97577	17.3
99.04459	3.3
103.05469	8.6
105.07034	45.3
107.04963	5.6
107.08604	31.4
108.04476	8.0
109.02885	6.4
109.06517	20.8
109.10146	9.8
110.01263	2.5
110.97584	4.8
111.08060	2.5
115.05499	10.9
116.06226	4.2
116.98637	3.3
117.07018	30.9
119.01810	2.4
119.04919	6.6
119.08586	47.2
121.06492	14.3
121.10140	28.7
123.04427	5.3
123.08070	9.4
123.11694	6.0
124.05201	5.5
125.09666	2.6
126.05514	5.7
127.03939	2.9
128.06229	10.8
128.98582	4.4
129.06999	20.8
130.07813	13.1
131.04959	5.2
131.08571	40.3
132.03329	2.2
132.05731	2.4
133.06488	7.8
133.10146	24.3
135.08063	20.2
135.11691	6.3
137.05962	9.4
141.06987	9.7
142.07806	12.5
143.08569	18.7
144.05724	4.7
144.09335	5.3
145.06496	12.1
145.10129	85.4
147.04373	3.5
147.08061	26.7
147.11690	15.3
149.05980	14.0
149.09650	19.2
150.06740	6.3
151.03896	18.0
151.07584	10.3
153.01289	2.3
153.05713	2.2
153.06949	4.6
155.06052	2.5
155.08563	31.5
156.09311	4.6
157.06485	6.1
157.10103	14.4
158.07245	8.1
158.10847	3.1
158.99654	3.4
159.08058	26.9
159.11697	38.0
160.05214	2.7
160.12494	2.6
161.05966	11.1
161.09616	9.4
161.13255	6.2
161.87469	2.0
162.01799	2.6
162.06664	2.9
163.07545	6.2
163.11189	11.9
165.09100	4.1
167.08502	2.2
168.09259	2.7
169.06479	4.5
169.10098	9.1
170.10913	4.5
171.11705	10.5
173.05988	5.5
173.09621	52.3
173.13272	12.6
174.04330	2.8
174.06837	2.4
175.03983	2.8
175.07567	13.8
175.11240	3.4
175.14836	4.2
177.05473	5.9
177.09079	7.0
181.10052	3.8
183.04904	5.9
183.08040	14.2
183.11687	7.8
183.55054	2.6
185.09596	4.0
185.13237	8.6
186.06717	3.6
186.10272	2.7
187.07576	12.7
187.11185	11.2
187.14822	8.6
188.01389	2.4
189.05447	2.5
189.09160	6.6
189.12793	7.7
190.06256	24.0
191.03448	3.9
191.07018	5.6
191.10660	16.2
192.05406	8.6
192.55757	2.2
196.12524	6.1
199.11205	6.3
201.00600	3.2
201.09114	54.9
201.12752	10.7
201.16396	18.8
203.06989	4.3
203.10686	7.3
203.14328	3.4
205.01735	2.8
205.08589	7.4
205.15773	2.5
205.52968	3.1
206.02483	16.0
206.05714	3.7
211.07550	4.2
211.14818	12.0
213.05933	2.8
214.13506	8.9
214.53503	4.8
217.08604	3.3
219.10094	4.5
224.03534	21.8
229.08609	28.2
229.12361	17.0
229.15849	41.2
230.08968	3.3
235.05446	7.9
239.05907	16.0
242.04602	4.1
247.09662	100.0
247.13248	27.9
247.16933	77.2
247.19690	3.6
247.20683	4.6
248.09979	2.7
257.06989	4.4
263.05823	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	247.1331
Annotation	Xanthatin
Peak:m/z	Relative Intensity
50.71551	2.0
53.03937	5.7
55.01862	9.5
55.05511	7.1
57.03436	5.1
61.83716	1.7
65.03945	3.5
67.05524	12.4
68.99805	2.0
69.03427	12.6
69.07074	5.5
69.25954	1.8
69.26348	4.1
69.26756	12.3
71.01366	15.6
71.04987	3.6
73.02925	3.2
79.05493	20.5
81.03402	3.2
81.07059	16.8
83.04979	3.7
83.08614	2.5
85.06522	2.0
87.00825	1.9
91.05483	44.4
93.07050	24.2
95.04958	5.7
95.08610	10.1
97.02900	7.2
97.06536	8.9
101.65038	2.3
103.05464	8.0
105.03368	3.2
105.04504	2.6
105.06349	1.7
105.07024	28.8
107.04961	8.5
107.08605	15.9
109.06516	11.0
109.10176	2.4
111.08081	2.9
115.05443	21.8
116.06254	5.6
117.03313	1.9
117.07031	23.8
119.04952	5.5
119.06100	1.9
119.08565	19.6
121.06511	22.1
121.10148	7.9
123.04449	2.7
123.08100	9.8
125.02349	3.4
127.03876	2.3
128.06239	11.8
129.07008	21.1
130.07803	6.5
131.04927	7.7
131.08577	45.1
133.06490	6.0
133.10124	11.5
135.04437	2.6
135.08089	8.6
137.05997	8.6
141.06989	21.8
142.07799	9.3
143.04939	3.6
143.08553	20.1
144.05739	9.6
144.09346	6.4
145.06502	27.3
145.10153	25.5
147.04407	6.3
147.08070	15.4
147.11693	6.6
148.08820	3.6
149.05981	5.9
149.09622	5.7
151.03905	3.9
151.07556	6.8
153.05582	2.2
153.07011	8.0
155.05995	2.7
155.08571	12.6
156.09392	2.4
157.06441	3.8
157.10152	15.9
158.07253	5.9
158.10915	5.8
159.04453	4.0
159.08066	39.6
159.09267	3.5
159.11684	16.4
160.05138	2.9
160.08817	2.4
161.05975	10.3
161.09639	10.4
162.03107	4.3
162.06755	5.8
163.03925	11.9
163.07524	8.1
163.11212	2.5
165.05481	3.6
167.08577	3.5
168.09331	13.9
169.06438	13.1
169.10132	5.8
171.04367	3.0
171.08096	6.0
171.11781	3.0
172.08830	3.5
173.06018	14.1
173.09636	17.9
173.13292	21.6
175.07544	14.8
175.11192	10.1
177.05489	18.3
177.09123	6.9
181.10283	2.0
183.11719	29.6
185.09686	2.6
185.13196	3.6
186.06787	6.9
186.10428	4.6
187.07552	46.2
187.11153	9.6
189.05537	2.5
189.09140	9.9
191.01668	4.0
191.03409	77.0
191.07040	8.1
191.10684	2.7
193.10245	2.3
195.06528	12.5
196.08855	3.1
197.06009	3.9
201.09186	10.9
201.12762	42.1
203.07076	8.5
203.10660	8.1
205.04883	2.8
205.08617	8.1
205.10397	2.0
205.12212	3.2
206.05760	48.7
206.07622	3.7
211.11209	11.7
214.10033	3.1
215.07018	7.7
217.05075	9.5
217.08769	2.4
218.09401	3.6
218.21799	2.3
219.06541	3.8
219.10190	8.2
219.13792	5.6
221.66666	2.3
229.08929	9.7
229.12238	91.3
230.12560	3.9
232.07304	12.7
247.09691	100.0
247.13339	92.2
247.16991	7.6
248.10028	2.7
248.16675	2.8
257.45175	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	247.1331
Annotation	Xanthatin
Peak:m/z	Relative Intensity
53.03943	3.8
55.01870	4.3
55.05502	8.9
57.03429	9.6
57.07080	7.0
58.27129	2.4
59.04980	3.0
61.28253	2.7
64.93755	2.4
65.03924	3.2
67.05508	14.5
69.03429	14.1
69.07061	8.5
70.62254	8.9
71.04993	4.2
79.05497	17.5
79.47944	2.7
81.07091	13.7
83.04958	7.0
83.76852	2.5
85.02923	2.7
85.06548	68.3
91.05495	39.2
93.07046	22.2
95.04994	19.2
95.08604	11.1
103.05458	8.2
105.06319	4.6
105.07042	84.9
105.79308	2.7
107.04955	5.9
107.08609	21.2
109.06511	11.4
115.05450	14.0
116.06256	3.1
117.07033	54.6
119.04917	5.1
119.08590	39.9
121.06519	18.0
121.10101	4.4
123.04405	6.4
123.08064	4.0
128.06215	15.0
129.07007	20.6
131.08582	53.2
133.06477	15.8
133.10146	4.5
135.08086	21.6
137.06023	3.4
141.06960	12.6
142.07779	20.7
143.08574	28.5
144.09331	7.6
145.06494	27.8
145.10155	27.1
147.08028	23.1
147.11693	4.2
149.05983	4.1
149.09647	4.0
151.03836	3.3
151.07573	9.8
153.06975	11.7
155.08533	24.1
156.09354	4.9
157.06425	4.2
157.10156	23.9
158.10945	5.6
159.08090	32.1
159.11726	19.8
161.05992	11.3
161.09654	8.8
163.07545	58.1
167.08511	4.1
168.09357	41.5
169.10124	7.5
171.08073	8.2
171.11642	3.9
172.08900	6.3
173.06056	18.0
173.09709	12.1
173.13283	30.4
175.07556	8.6
175.11206	10.1
177.05505	3.2
177.09102	4.8
178.09596	3.5
181.06599	2.6
181.10159	6.9
183.11708	88.4
185.09627	6.7
185.13191	6.0
186.10370	6.8
187.07545	12.5
187.11162	14.4
189.09102	9.8
191.07039	16.6
193.10156	7.2
196.08772	4.8
199.11415	3.0
201.09084	4.8
201.12773	59.2
203.10698	35.2
205.08615	3.2
205.12163	3.9
211.11185	29.7
214.09885	4.9
219.13763	6.0
229.12257	89.8
247.09584	7.3
247.13321	100.0
247.17026	4.3
247.24704	5.2
257.37360	2.7
269.15622	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	247.133
Annotation	CHEBI:70173
Peak:m/z	Relative Intensity
53.03933	7.7
55.01859	8.3
55.05524	11.5
55.56991	2.2
56.96558	4.4
57.03435	5.5
57.07054	3.0
65.03924	6.3
67.05505	18.0
69.03425	15.4
69.07063	6.2
69.39661	5.2
69.40068	15.1
71.05004	3.8
73.02908	4.4
77.03897	2.7
79.05494	24.4
81.03420	14.4
81.07055	28.8
83.04990	16.5
85.02907	5.6
91.05482	49.1
93.03387	3.7
93.07053	37.1
95.04977	16.5
95.08630	15.4
97.02918	12.0
97.06513	5.9
98.97589	7.3
103.05462	7.9
105.07036	50.9
107.04935	9.2
107.08602	26.9
109.02888	4.3
109.06512	10.6
111.04446	3.9
115.05477	17.8
116.06212	5.5
117.07027	47.6
119.04928	7.4
119.08588	28.6
121.06503	23.5
121.10125	6.6
123.04422	5.5
123.08064	4.4
125.02336	6.2
125.05954	3.4
125.09637	7.9
126.05497	2.2
128.06239	18.1
129.07007	39.8
130.07773	10.6
131.08574	64.4
131.49663	2.0
133.06490	9.9
133.10132	22.3
135.04388	4.9
135.08069	39.7
135.11725	2.1
136.08839	6.8
137.05942	9.4
141.07013	21.2
141.08038	3.3
142.07771	24.6
143.08575	31.9
144.05708	5.6
144.09358	4.0
145.06497	17.3
145.09068	3.6
145.10130	51.7
147.04379	3.3
147.08081	18.7
147.11678	8.2
149.05940	10.6
149.09625	8.3
151.07538	7.4
153.06989	15.1
154.07787	5.0
155.08565	53.8
156.09277	3.6
157.06482	5.2
157.10146	41.8
158.07274	5.8
158.10942	2.4
159.04465	3.0
159.08069	34.4
159.11699	33.6
160.08778	3.3
161.06033	12.9
161.09659	14.9
162.06670	2.5
163.07529	10.7
165.06995	3.5
167.08566	4.3
168.05663	4.3
168.09383	22.0
169.06435	2.8
169.10089	8.3
171.08089	5.5
171.11667	6.1
172.08821	5.8
173.06047	12.8
173.09644	32.4
173.13252	26.3
175.07593	15.2
175.11166	3.0
177.05507	2.8
177.09100	8.3
177.12701	2.8
181.06502	2.9
181.10152	6.4
183.08092	21.0
183.11707	61.5
185.09618	9.8
185.13275	8.2
186.06769	2.4
186.10403	4.9
187.07550	13.7
187.11200	23.5
187.14879	3.5
189.09087	7.5
189.12617	3.1
190.06255	4.9
191.07043	9.5
191.10716	8.6
192.05304	3.1
192.55519	2.4
193.10143	7.5
196.08882	3.5
199.07520	3.1
199.11220	3.4
201.06116	3.4
201.09120	59.9
201.12752	73.0
201.16357	4.8
202.09592	2.4
203.10710	25.8
205.08607	3.2
205.12267	5.7
206.02562	4.0
211.07600	6.2
211.11179	15.9
214.53738	3.2
219.10295	4.0
219.13713	6.5
224.03587	5.1
229.08734	19.6
229.12250	100.0
229.15965	8.9
239.05931	3.6
247.09683	41.8
247.13289	83.3
247.16920	16.5
248.13702	3.0
265.34167	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	247.1331
Annotation	Xanthatin
Peak:m/z	Relative Intensity
52.19385	1.2
53.03941	2.7
53.67391	1.4
55.01871	2.9
55.05507	4.0
57.03440	28.6
58.65115	1.5
64.08525	1.3
65.03948	1.7
67.05495	7.3
69.03429	8.1
69.07056	4.1
70.67815	5.1
71.04983	5.1
79.05492	14.9
81.07062	8.1
83.04964	4.1
83.08588	2.0
91.05479	21.0
93.07049	15.1
95.04964	10.3
95.08586	6.6
97.06511	3.2
102.51249	1.4
102.72723	1.4
103.05441	3.8
105.07033	21.1
107.04950	2.8
107.08590	11.8
109.06507	4.1
109.10164	1.9
111.04427	3.4
111.08078	1.9
112.64047	1.5
115.05460	3.8
116.06232	1.6
117.07009	11.4
119.08595	17.8
121.06518	20.3
121.10125	2.6
123.04460	3.4
123.08031	3.8
125.06011	2.1
128.06215	6.5
129.07019	11.6
130.07767	2.5
131.08583	18.4
133.06485	6.0
133.10110	6.6
135.04417	1.5
135.08069	18.4
135.11755	1.5
137.05986	9.4
139.03912	6.6
139.72182	1.6
141.06973	6.5
142.07788	12.4
142.09677	1.5
143.08565	14.4
144.09328	1.9
145.06488	9.2
145.10118	11.5
146.07268	4.2
147.08047	22.7
147.11682	4.5
149.05989	6.0
149.09602	3.7
151.03868	2.7
151.07549	20.6
153.05530	2.6
153.07031	3.2
155.08583	10.4
157.10144	21.1
159.08067	12.4
159.11699	8.5
160.05217	1.6
160.08813	5.0
161.05975	11.8
161.09616	7.8
161.13283	2.2
163.07574	16.3
167.08543	3.0
168.09323	6.1
169.10095	4.4
171.08047	4.4
172.08815	2.4
173.06000	3.5
173.09628	8.6
173.13232	5.2
174.06769	7.1
175.07622	10.2
175.11179	19.2
177.05479	14.0
177.09126	7.5
183.11691	18.3
185.09592	6.3
186.10478	1.9
187.07581	9.2
187.11195	8.1
188.08282	2.9
189.09131	14.3
191.07018	11.0
191.10683	2.7
193.08603	16.5
196.08823	2.1
199.07524	1.9
201.09116	4.6
201.12773	24.4
203.10683	92.8
204.11011	1.9
205.08592	3.5
205.12254	4.2
205.15907	3.9
211.11122	7.0
214.09789	2.3
217.10092	2.7
217.12143	2.3
219.13765	3.5
229.08694	2.6
229.12248	46.1
232.12357	1.7
247.09390	3.5
247.13278	100.0
247.16881	10.2
247.24585	2.1
248.13618	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1331
Annotation	Xanthatin
Peak:m/z	Relative Intensity
55.05504	6.2
57.03452	13.6
57.17354	2.6
66.31914	2.4
67.05489	10.7
69.03445	5.7
69.07060	6.5
69.67603	2.5
69.84441	4.9
69.84846	11.0
71.04980	9.3
73.92094	2.5
79.05476	11.9
79.58646	2.7
81.07052	14.4
83.01312	3.1
83.04963	3.4
85.06538	3.6
91.05482	21.2
93.07065	18.1
94.02900	2.4
95.04965	28.4
95.08630	13.0
97.06511	4.9
103.05441	4.2
105.07035	23.7
107.08605	12.5
109.06502	6.1
109.10120	3.2
115.05447	5.5
117.07002	11.6
119.04952	3.1
119.08586	16.1
121.06498	18.9
121.10146	5.6
123.04466	4.1
123.08037	5.5
128.06244	13.4
129.06996	10.4
131.08575	25.5
133.06526	5.2
133.10121	7.1
135.08046	15.4
135.11713	3.4
137.05957	10.7
137.09630	4.2
141.06985	8.2
142.07790	13.5
143.08580	19.5
145.06487	11.1
145.10107	15.4
147.08040	14.1
147.11696	7.0
149.05957	7.5
149.09631	9.7
151.03868	5.5
151.07588	18.3
155.08569	15.9
157.10167	19.6
159.08067	18.3
159.11749	13.4
160.08844	9.4
161.05998	18.9
161.09593	7.0
163.07547	18.7
168.09349	10.7
171.08069	4.3
172.99184	2.5
173.06001	6.8
173.09593	10.1
173.13293	13.3
174.06754	7.7
175.07596	20.1
175.11182	9.4
177.05519	3.3
177.09087	18.4
180.13135	2.7
183.11699	38.2
185.09654	5.7
187.07564	11.8
187.11172	10.0
188.08301	11.2
189.09100	16.4
191.07045	4.2
191.10710	7.1
201.09084	6.9
201.12741	34.0
203.10677	100.0
204.11121	3.0
205.08578	6.6
205.12256	13.1
205.15900	4.0
211.11221	13.1
214.09822	3.2
217.12259	3.6
229.12251	66.0
229.15746	3.7
247.09622	4.7
247.13290	89.1
247.16859	12.4
247.20499	8.3
247.24503	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	247.133
Annotation	[3aR-(3aalpha,4aalpha,6beta,8abeta,9aalpha)]-3a,4,4a,5,6,8a,9,9a-Octahydro-6-hydroxy-8a-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03949	2.0
55.01868	1.5
55.05497	4.5
57.03438	8.3
57.07067	3.3
59.05017	1.4
64.78642	1.4
67.05518	7.6
69.03420	6.1
69.07059	3.8
71.04993	16.6
71.08616	3.7
71.51002	1.7
79.05502	9.0
80.85805	1.3
81.07056	9.4
83.04960	1.9
85.06528	1.9
91.05482	16.5
93.07059	8.9
95.04951	5.0
95.08602	6.6
97.06524	2.0
103.05466	2.8
105.07033	17.2
107.04946	2.9
107.08613	7.9
109.06512	5.9
109.10140	4.5
111.08067	2.3
115.05436	4.1
116.06234	1.8
117.07021	9.5
119.08600	12.6
121.06516	19.2
121.10129	3.3
123.04427	2.4
123.08065	4.9
128.06206	5.7
129.07037	8.1
130.07712	1.7
131.04872	1.4
131.08574	22.8
133.06479	4.8
133.10139	5.5
135.08064	22.3
137.05998	10.5
139.39536	1.3
141.06967	4.1
142.07777	6.5
143.08571	11.9
144.05684	3.2
144.09370	2.5
145.06483	5.8
145.10141	15.8
145.96387	1.3
146.07265	2.7
147.08047	12.2
147.11664	3.3
149.05959	5.0
149.09621	5.7
150.06758	2.2
151.07570	19.3
153.06964	3.7
154.07819	1.6
155.08554	8.2
156.09346	1.4
157.06528	1.9
157.10077	5.7
158.07253	3.5
159.08070	18.6
159.11719	7.3
160.08838	5.7
161.05992	18.2
161.09602	6.2
163.07550	17.4
163.11186	11.0
165.09120	15.0
168.09377	9.1
169.10135	2.1
171.08055	1.8
172.08841	4.4
173.05959	2.8
173.09627	14.3
173.13249	8.1
174.06757	4.1
175.07568	22.2
175.11238	6.7
176.08318	11.6
177.05482	2.8
177.09119	20.9
183.11699	22.1
185.13412	2.6
186.10492	2.2
187.07562	7.5
187.11264	6.0
188.08337	3.8
189.09116	12.3
190.09866	4.8
191.06984	4.1
191.10683	100.0
193.08568	1.5
196.08931	3.2
199.07498	2.0
201.09067	4.5
201.12788	23.6
203.10677	26.4
203.14342	2.2
205.08568	2.7
205.12276	18.6
211.11252	6.3
214.09909	3.6
217.12302	3.2
219.08015	1.2
219.13803	3.8
229.08681	1.6
229.12267	35.4
229.15881	2.8
247.09589	3.8
247.13289	63.7
247.16928	28.0
247.20593	1.7
247.24579	3.4
250.10020	1.3
268.69986	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1331
Annotation	Cannabispirone
Peak:m/z	Relative Intensity
53.03941	0.6
57.03432	0.9
66.83168	0.5
67.05511	4.2
69.03428	2.2
69.07069	1.7
69.64362	2.7
71.05011	0.5
79.05492	2.4
81.07071	1.3
91.05489	1.6
93.07032	2.2
95.04969	2.1
95.08610	15.8
98.21582	0.7
103.05495	1.2
105.07030	6.0
107.08597	1.3
108.05735	1.0
109.06542	1.5
109.53129	0.4
115.05447	0.8
117.07028	1.0
117.35844	0.4
119.08580	1.1
121.06504	1.2
123.04449	0.9
123.08074	12.5
128.06200	0.5
128.65102	0.4
129.07018	1.3
131.08577	1.4
133.06494	4.5
133.10158	0.9
135.08041	1.2
137.05952	1.6
142.07738	0.8
143.08586	1.8
145.06442	1.1
145.10138	1.3
147.08061	1.2
149.05978	0.5
151.03941	1.5
151.07549	100.0
152.07935	0.7
155.08559	1.1
157.10155	1.1
159.08099	1.6
159.11722	1.3
161.06001	1.3
161.09599	0.8
163.07545	1.6
168.09378	0.5
173.09578	0.8
173.13220	0.5
174.06709	0.7
175.07553	5.5
175.11269	0.5
176.08398	0.5
177.05524	0.5
177.09109	0.6
183.11697	1.8
187.07547	0.7
187.11163	1.4
189.09120	1.7
191.07111	1.4
201.09299	0.5
201.12750	2.0
203.10747	3.1
205.08577	0.6
205.12274	1.2
211.11266	0.6
215.10692	0.6
219.13947	0.5
226.53786	0.6
229.12294	4.5
247.09671	2.2
247.13312	18.1
247.24467	0.6
263.76758	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0967
Annotation	Torachrysone
Peak:m/z	Relative Intensity
50.37612	0.6
53.03947	1.2
53.65142	0.5
55.01886	3.4
55.05503	0.9
57.03444	1.5
67.05499	1.3
67.39149	0.6
68.99791	0.9
69.03432	2.6
69.07072	1.2
71.01020	0.8
71.01363	8.6
71.04981	1.5
71.49784	0.9
73.02923	0.8
79.05488	2.5
81.03410	1.5
81.07043	1.7
83.05001	0.7
85.02902	1.0
91.05483	7.1
93.07056	2.2
95.04993	1.1
95.08582	1.9
97.02885	1.2
101.80726	0.6
103.05473	1.9
105.07038	3.1
107.04958	2.1
107.08605	1.5
108.04487	0.9
109.06535	0.9
109.10147	0.7
115.05459	7.2
116.06268	1.5
117.07021	6.3
119.04990	1.1
119.08575	2.6
121.06519	3.2
121.10125	1.3
123.04493	1.0
128.06223	1.9
128.34300	0.6
129.07008	3.3
130.46968	0.7
131.04915	3.1
131.08577	6.6
132.05707	1.1
133.06508	1.3
133.10103	1.8
135.04431	1.0
135.08061	1.3
137.05968	2.6
137.46178	0.6
141.07021	7.4
143.04924	2.0
143.08583	1.7
144.05714	4.7
145.06493	7.4
145.10118	4.3
146.03683	0.7
147.04381	2.2
147.08031	2.8
147.11714	1.0
148.05176	0.6
149.05983	1.1
149.09645	1.3
151.03865	0.9
151.07489	1.5
153.05490	0.7
153.07115	0.7
155.06064	1.5
155.08575	1.0
157.06528	0.8
157.10167	0.9
158.07266	2.0
159.04453	1.1
159.08083	8.5
159.11693	1.5
160.05217	4.8
161.06021	5.2
162.03113	1.9
162.06789	2.5
163.03929	6.1
163.07487	1.5
168.05692	0.9
169.06505	6.6
171.04375	1.8
171.08044	1.2
173.06000	5.4
173.09637	3.9
173.13184	1.2
174.06755	0.9
175.03905	1.1
175.07579	5.5
175.11281	0.6
176.04790	1.1
177.05489	8.5
177.09100	4.7
183.08058	1.1
183.11613	0.8
185.05978	1.0
186.06764	2.5
187.07549	8.5
187.11145	0.7
187.14824	0.7
188.04707	0.8
189.05463	4.3
189.09151	1.4
190.06253	2.0
191.03404	31.2
191.07013	4.2
191.10620	1.7
197.05984	2.9
201.09146	3.8
201.12752	1.7
201.16423	4.2
203.07079	4.6
203.10657	1.3
204.07896	1.5
205.05017	0.9
205.08607	2.4
206.02768	1.0
206.05760	26.7
211.07521	0.9
215.07147	3.2
217.05014	8.5
219.06488	1.6
219.10155	2.9
219.13768	0.9
229.08640	2.2
229.12244	4.3
232.07306	8.3
247.09679	100.0
247.13287	6.4
247.16786	4.8
248.10054	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0967
Annotation	Hydroxykavain
Peak:m/z	Relative Intensity
51.34446	0.7
53.03925	0.8
53.78997	0.7
55.01873	6.9
55.05515	1.9
57.03424	2.0
65.03938	1.2
67.05499	2.7
69.03440	5.4
69.07051	1.1
71.01361	21.1
71.04966	1.2
71.49457	0.9
71.49847	0.8
73.02918	3.6
79.05496	7.8
81.03408	1.6
81.07057	3.8
83.04984	1.2
91.05483	17.1
93.07056	4.8
95.04968	2.4
95.08607	2.2
97.02901	2.2
97.06512	1.8
103.05483	2.7
105.07032	7.7
107.04945	3.4
107.08575	3.4
109.06521	2.3
115.05466	12.6
116.06232	3.8
117.07021	14.8
119.04935	2.8
119.08585	5.2
121.06503	5.3
121.10134	1.2
123.04382	1.0
123.08107	1.7
128.06212	4.6
129.07025	7.4
130.04155	1.2
130.07761	1.9
131.04991	3.9
131.08574	16.2
132.05772	1.1
133.06512	2.2
133.10130	2.5
135.04417	2.0
135.08034	2.8
135.11740	0.8
137.06004	3.8
138.70387	0.8
141.06999	19.3
142.07753	1.3
143.04939	4.8
143.08556	4.8
144.05725	7.3
144.09256	1.0
145.06500	18.3
145.10135	5.4
146.03632	2.8
147.04401	3.3
147.08058	3.4
149.05956	2.6
149.09634	1.7
151.03915	2.3
151.07527	3.4
153.05455	2.6
153.07001	1.8
155.06061	1.7
155.08562	3.1
157.06456	2.0
157.10088	2.4
158.07277	5.9
159.04405	3.0
159.08069	16.3
159.11726	2.9
160.05255	2.9
161.05956	4.6
161.09682	2.4
162.03119	5.2
162.06770	5.6
163.03906	14.7
163.07532	3.8
168.05704	2.5
168.09358	3.1
169.06487	16.2
169.07782	1.7
171.04427	4.4
171.08041	1.9
172.08949	1.1
173.05995	10.0
173.09621	9.5
173.13281	3.4
174.06792	1.0
175.07533	7.9
175.11192	2.0
176.04709	3.8
177.05487	23.3
177.09073	4.6
178.06268	1.7
179.07051	2.5
183.08144	2.1
183.11734	4.4
185.05977	2.1
186.06824	3.9
187.07545	18.9
187.11169	2.6
188.08125	0.9
189.05443	3.1
189.09114	5.4
190.06345	1.4
191.03407	94.2
191.07002	8.7
196.08873	1.1
197.05959	5.8
198.06902	1.3
201.09102	9.9
201.12761	8.3
201.16394	1.0
203.07021	7.8
203.10654	1.5
204.04179	1.6
204.07837	2.7
205.04944	1.4
205.08595	4.2
205.12343	0.9
206.05763	69.7
211.07568	2.0
211.11226	1.9
211.14760	1.4
214.06247	1.9
215.06998	8.1
216.07849	1.2
217.04967	10.9
217.08464	0.9
217.12178	0.9
219.06551	3.3
219.10233	3.7
229.08768	5.8
229.12233	14.7
229.15735	1.2
232.07327	14.8
247.09679	100.0
247.13309	17.8
247.16681	4.1
248.09962	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16196	11.9
56.96578	17.1
70.98119	31.1
71.49188	20.2
82.99845	14.6
86.09681	26.1
98.97601	52.4
100.00569	15.0
101.00905	80.1
103.00650	28.0
112.88795	13.0
113.00906	18.3
117.12935	13.8
118.08683	56.3
119.01916	100.0
121.01668	32.9
121.71860	14.5
128.98607	19.7
129.03928	16.2
130.09753	16.7
131.01924	43.2
133.03485	42.4
143.01888	24.5
145.03474	20.9
157.03500	26.0
159.03247	15.2
161.02979	24.7
163.02698	32.8
173.03020	34.7
175.04538	15.8
187.00957	30.0
187.02773	19.3
187.04570	22.4
195.98108	14.7
203.82898	13.8
223.05124	13.5
246.41722	14.1
247.02617	19.5
247.06799	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	246.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.3
55.05504	0.8
57.07058	0.6
65.34644	0.3
67.05515	0.7
69.07068	1.8
70.06592	1.8
70.14365	0.4
71.28325	0.6
79.05479	1.0
81.03416	1.0
81.05795	0.4
81.07059	2.4
82.06592	2.5
83.05681	0.4
83.08612	0.7
83.41949	0.4
84.08127	1.0
91.05479	1.6
93.07041	2.5
94.06559	1.2
95.08625	2.1
96.08109	0.5
100.67251	0.3
102.05556	0.4
105.07027	3.8
107.08604	2.6
108.08145	1.9
109.10160	1.3
110.09668	1.6
114.05519	0.6
117.05545	0.8
119.08592	3.0
121.06559	0.8
121.10159	1.5
123.11699	1.0
124.11190	0.6
131.08569	1.9
133.10109	2.0
135.11682	0.9
145.10152	2.2
147.11673	2.3
149.13243	1.5
152.14351	2.3
159.11687	2.2
161.13263	0.6
162.12804	0.4
173.13246	1.2
187.14868	0.8
188.14349	0.7
189.16365	1.8
200.09166	0.4
203.16704	1.1
204.17529	1.3
218.10205	1.0
218.18901	0.4
218.38673	0.4
220.19185	0.3
223.14880	0.3
229.19534	1.5
246.22176	100.0
247.22464	2.4
257.45599	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.145
Annotation	H-Ile-Asn-OH
Peak:m/z	Relative Intensity
53.03941	3.4
54.17841	2.6
55.05499	7.4
56.05024	8.2
56.96568	40.5
57.03440	4.0
58.06614	2.9
60.04514	3.1
60.05627	2.4
65.48892	2.0
67.05497	5.7
68.05024	5.4
69.03422	6.8
69.07072	58.9
69.34950	2.0
69.53385	16.7
70.02961	16.4
70.06573	16.3
70.98111	6.1
71.04964	3.4
72.04520	3.2
72.08157	21.4
72.93778	3.6
73.02905	5.2
73.06548	3.4
75.12185	2.1
79.05484	6.0
79.74643	2.3
80.05043	2.6
81.03410	3.5
81.07049	7.1
84.04506	32.7
84.08150	35.2
85.02915	14.4
85.04041	17.4
86.06058	7.6
86.09709	81.4
87.04469	2.8
87.05082	4.6
87.05595	74.1
88.03975	5.6
88.07590	4.1
88.99135	3.0
91.05469	2.9
93.07004	2.5
95.01292	2.2
96.04500	4.4
96.08153	3.0
97.02890	9.5
97.06532	8.0
98.02424	24.2
98.06066	3.8
98.09670	2.8
98.97572	18.0
99.06416	3.5
100.07610	7.6
101.00838	2.3
102.05543	6.8
109.02898	2.9
110.02408	73.8
110.03154	5.0
110.06036	3.6
110.09663	7.7
113.10773	54.3
114.05535	17.4
116.07075	4.0
116.98600	7.9
117.05514	2.5
119.01888	5.4
120.01987	3.4
120.08135	5.0
121.06487	6.4
122.06011	6.5
123.04436	8.1
123.08108	2.9
124.03950	13.7
126.05457	2.8
127.03928	3.3
128.98639	5.1
129.10239	8.0
130.05037	14.6
130.08621	6.8
132.10216	26.4
132.95868	2.4
133.06119	3.5
138.09135	10.6
141.10229	100.0
142.04959	11.9
143.00143	2.8
143.11818	8.5
146.99641	8.2
147.11282	9.2
150.96896	2.6
154.12212	2.7
155.11749	12.0
156.10210	10.4
156.13831	10.6
158.09346	3.4
158.99617	3.9
160.05975	2.6
165.00687	4.1
166.08650	79.1
169.09717	7.9
175.11894	3.0
177.00676	3.5
179.00140	4.6
182.11803	16.4
183.11244	14.6
184.09717	7.5
185.01242	3.0
186.04414	3.5
186.07556	2.8
187.10785	66.3
187.12352	4.8
197.01245	7.8
200.11179	2.9
200.14192	22.8
201.12308	3.2
202.10719	40.7
202.14369	3.8
205.00197	3.1
211.10733	5.9
212.09172	94.3
219.01672	2.8
223.01109	4.9
223.04752	2.4
227.52425	2.5
228.12212	5.3
229.11827	38.1
241.00433	4.3
246.09502	4.9
246.13519	10.2
246.15730	2.9
246.18164	10.0
246.24327	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1902
Annotation	Falcarinol
Peak:m/z	Relative Intensity
51.19354	2.1
53.03941	5.5
55.05515	14.8
57.07093	2.5
59.67197	1.9
65.03934	3.3
65.08250	2.1
67.05181	2.8
67.05512	40.5
68.51979	2.1
69.03407	2.4
69.07066	5.7
69.88611	9.5
73.71550	2.6
73.76939	2.3
76.14670	2.2
79.05495	44.6
81.07064	61.4
83.04969	7.4
83.08625	4.7
85.95287	2.0
91.05491	49.1
93.07055	95.4
95.04969	10.1
95.08614	88.7
98.97591	2.3
105.07037	50.2
107.04959	3.1
107.08601	62.6
109.06533	9.5
109.10175	12.7
113.67500	2.0
115.05450	3.6
117.07000	9.1
119.08578	26.2
121.06488	3.0
121.10152	23.9
123.11706	8.0
124.49380	2.0
128.06192	5.3
129.07010	11.9
131.08588	38.7
133.06508	3.4
133.10144	52.2
135.07993	2.2
135.11703	43.7
141.06972	4.3
142.07758	7.9
143.08595	18.4
145.10136	27.1
147.11739	14.5
149.09616	5.8
149.13284	5.3
151.11189	29.1
153.06947	3.3
155.08527	3.6
156.09341	5.5
157.06450	3.1
157.10158	15.9
158.07205	2.1
159.11694	13.2
161.05937	2.5
161.09608	2.5
161.13263	8.7
163.11273	4.7
165.06992	3.0
165.12775	2.9
171.08061	2.8
171.11726	32.0
171.18106	2.1
172.62566	2.4
173.09660	2.8
173.13272	6.3
175.07561	2.9
175.14813	3.5
181.10121	3.2
183.11697	3.1
185.09631	4.7
185.13292	19.7
187.14809	7.1
189.09113	4.9
189.12794	3.9
199.11238	10.9
199.14745	10.6
214.03444	2.0
217.11992	2.7
217.19583	9.5
227.10713	8.6
227.17960	92.0
245.08064	3.5
245.11856	17.7
245.19038	100.0
245.22758	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	245.1901
Annotation	Falcarinol
Peak:m/z	Relative Intensity
51.58138	0.9
53.03944	4.5
53.47010	0.8
55.01869	1.1
55.05516	5.1
57.03434	1.0
65.03931	1.2
67.05511	16.0
69.03432	2.3
69.07066	4.4
70.63108	2.8
71.04957	1.4
75.72983	1.0
77.03920	2.5
79.05071	1.7
79.05497	24.4
81.07063	28.1
82.71445	1.0
83.04965	2.1
83.08588	1.7
91.04906	1.2
91.05483	34.4
93.07050	100.0
95.04990	6.9
95.08612	25.9
97.06511	1.3
103.05491	0.9
105.04503	1.7
105.07037	21.4
105.15274	0.9
107.04999	1.0
107.08584	15.6
109.06521	3.9
109.10158	6.1
115.05452	2.9
115.53333	1.2
117.07034	7.2
119.08605	14.3
121.06514	3.6
121.10165	9.0
123.08054	1.5
123.11696	10.0
128.06256	6.5
129.07001	12.2
130.07800	2.0
130.21388	1.0
131.08582	17.6
133.06488	1.0
133.10146	17.0
135.08093	1.1
135.11707	10.5
137.06001	1.1
137.09663	1.0
141.06989	3.4
142.07774	6.5
143.08574	14.2
145.10127	16.5
147.04404	0.9
147.08034	1.2
147.11694	9.3
149.05951	1.3
149.09605	2.7
149.13264	2.9
151.11229	5.6
155.08531	3.0
156.09344	3.8
157.10133	18.3
158.07220	1.6
159.08017	3.5
159.11702	5.6
160.08850	1.3
161.06018	1.7
161.09596	1.9
161.13255	5.1
163.11154	1.7
165.07025	3.0
165.12672	4.9
166.07777	3.9
167.08604	1.6
169.10173	1.0
170.10866	1.2
171.08035	1.4
171.11716	13.9
173.09703	2.7
173.13249	1.8
175.07536	2.9
175.11179	2.0
175.14812	1.3
181.10133	5.2
181.98021	1.1
183.11542	1.2
184.08865	1.9
185.09641	4.9
185.13254	21.8
187.07591	2.5
187.14859	5.7
189.05461	2.5
189.09164	1.6
189.12808	2.0
199.11198	11.8
199.14789	5.4
201.16440	1.8
203.10704	3.6
203.14372	1.0
209.09584	1.4
217.12286	7.2
217.19536	1.1
227.10675	6.7
227.17957	36.9
228.18307	1.4
244.07826	1.0
245.11824	15.3
245.15297	1.8
245.19022	60.6
246.24406	1.4
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
53.03941	0.5
55.01855	0.3
55.05518	0.3
56.05041	0.4
57.05816	0.4
58.06609	0.4
67.05512	0.7
68.38268	0.2
69.03422	0.3
69.07072	11.4
69.80602	1.4
69.95966	0.2
70.06577	0.4
71.04964	0.3
72.08131	0.3
78.76223	0.2
79.05493	0.4
81.03415	0.9
81.07058	0.5
82.99406	0.2
83.04987	0.8
84.08159	0.6
85.31861	0.3
86.09710	100.0
87.10043	0.4
91.05488	4.5
93.07039	0.5
95.08612	2.9
97.02897	0.3
98.97598	0.8
99.36724	0.2
105.07047	0.5
105.59385	0.2
107.08602	0.3
113.06000	0.4
113.09682	0.7
114.03799	0.2
115.05430	0.3
116.98662	0.5
123.08084	0.7
128.06270	0.4
129.07016	0.4
130.06560	0.4
132.10234	1.7
137.06004	0.4
142.03230	2.0
145.10072	0.3
149.02359	1.0
151.07507	0.3
157.06483	0.4
157.10193	0.3
159.08052	0.3
159.10304	0.4
161.05940	0.3
161.40720	0.3
167.03413	0.9
170.02774	0.5
171.03262	0.4
175.07576	0.9
189.09122	0.3
195.10144	0.2
199.11183	0.4
199.18152	0.5
203.10634	0.7
212.08342	0.4
217.12337	0.4
227.07103	0.7
227.10693	0.7
228.15901	0.3
245.08163	1.8
245.11552	1.8
245.16153	0.4
245.18602	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	245.1539
Annotation	Methyl 3,4-dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxylate
Peak:m/z	Relative Intensity
51.02356	0.4
53.03937	1.6
55.01857	1.5
55.05510	3.3
55.67607	0.4
56.96576	1.0
57.03424	1.3
57.07066	0.5
59.04986	1.1
60.35217	0.4
65.03941	0.9
67.05510	6.9
69.03431	3.0
69.07070	10.4
71.04983	2.0
71.26926	0.8
77.03936	0.6
77.37218	0.4
79.05492	7.7
81.03419	1.3
81.07069	4.6
83.04981	1.2
85.06533	0.6
87.00789	0.5
91.05487	13.6
93.07043	5.1
95.04978	6.6
95.08617	3.0
97.06522	1.3
97.10121	0.6
98.97584	4.4
99.04459	1.7
103.05467	2.3
105.07038	14.0
107.04967	1.5
107.08611	4.6
109.06517	2.0
109.10139	0.9
112.99117	0.5
115.05457	4.3
115.07578	4.1
116.06229	0.7
116.98634	1.5
117.07013	8.1
119.04946	2.1
119.08586	6.3
121.06503	2.8
121.10150	0.7
123.04422	1.3
123.08081	1.3
125.05959	0.5
125.09647	0.5
128.05272	0.9
128.06224	15.8
128.07146	1.0
129.07025	12.9
130.07780	1.8
131.04907	1.3
131.07605	0.9
131.08577	14.7
133.06497	2.1
133.10165	2.7
135.04489	0.6
135.07011	0.5
135.08051	1.7
137.06001	1.0
141.05397	0.7
141.05893	0.5
141.06999	6.4
141.35709	0.5
142.07796	8.4
143.08568	100.0
144.08992	1.5
145.06493	4.1
145.10133	9.0
146.10892	0.8
147.04420	1.2
147.08073	2.9
147.11702	1.2
149.05994	2.3
149.09648	0.9
151.03928	0.5
151.07498	1.1
152.06331	0.5
153.07008	2.1
154.07784	1.0
155.06039	1.2
155.08560	5.8
156.09352	6.8
157.06480	2.9
157.10127	15.7
158.07257	1.4
158.10834	0.6
158.99728	0.8
159.08070	7.2
159.11668	4.9
160.08829	1.1
161.05989	2.4
161.09645	2.2
161.13248	0.6
163.07530	1.1
165.06998	5.5
166.07770	4.7
167.08543	1.5
168.09344	1.1
169.06496	1.4
169.10130	9.4
170.07265	0.9
171.08086	4.1
171.11684	13.7
173.09624	3.2
174.06816	1.0
175.03920	1.5
175.07607	4.1
175.11203	2.1
177.00836	0.6
179.08604	0.8
180.09396	1.0
181.10136	10.1
183.08070	1.7
183.11751	1.6
184.08870	4.2
184.12465	1.2
185.06035	1.5
185.09633	4.6
185.13341	0.9
187.07533	4.5
188.08322	0.6
189.09137	1.7
189.12721	0.8
189.16425	0.8
191.02411	0.6
197.05911	0.7
197.09596	0.5
197.13271	0.6
199.07501	1.0
199.11200	22.1
199.14833	42.3
200.11632	0.6
200.15259	1.8
201.09175	2.4
201.12817	1.3
201.16408	0.6
203.07063	1.1
203.10701	3.7
209.09637	2.3
209.13263	4.7
212.08318	2.2
215.10789	0.5
217.08658	0.7
217.12270	5.4
217.15924	1.7
227.10686	16.5
227.14209	7.3
236.73209	0.5
237.52727	0.5
245.11769	25.3
245.15424	35.4
245.19073	0.9
246.15810	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1539
Annotation	Methyl 3,4-dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxylate
Peak:m/z	Relative Intensity
53.03943	0.6
55.01860	0.4
55.05518	1.6
56.66115	0.3
57.03445	0.7
59.04995	1.2
65.03960	0.4
67.05510	2.6
67.98862	0.3
69.03418	1.0
69.07074	9.0
71.05013	0.4
71.40678	0.6
73.06562	0.5
79.05501	3.9
81.07054	2.5
83.04990	0.9
83.08622	0.5
85.06542	0.8
86.70495	0.3
91.05493	5.9
93.07056	3.9
95.04968	1.4
95.08636	1.7
97.06544	0.7
103.05471	0.6
105.07040	10.9
107.08595	2.9
109.06509	0.6
115.05433	1.4
115.07578	4.3
116.06261	0.6
117.07020	4.5
119.04927	0.5
119.08583	4.6
121.06490	1.1
121.10136	1.0
125.09573	0.4
128.06229	10.6
129.07018	6.2
130.07762	0.9
131.04938	0.6
131.08572	9.4
133.10146	2.7
135.08063	0.8
137.05954	0.7
141.06998	2.2
142.07784	3.9
143.08568	100.0
144.08846	2.0
145.06519	1.1
145.10139	6.1
146.10884	0.7
147.08031	1.1
147.11687	1.0
149.06009	0.7
149.13210	0.3
150.37794	0.3
153.06967	1.1
154.07784	1.8
155.06032	0.8
155.08534	1.3
156.08244	0.4
156.09314	1.9
157.06544	0.7
157.10138	10.7
159.04404	0.4
159.08038	1.2
159.11696	4.5
161.06006	1.3
161.09639	1.6
163.07434	0.3
165.06996	0.8
166.07779	0.5
167.08594	0.6
169.10139	10.6
169.11580	0.6
170.10742	0.4
171.07997	0.8
171.11707	6.0
173.09624	0.9
174.06709	0.7
175.07507	2.4
175.11162	1.3
180.09297	0.5
181.10118	2.6
183.07993	0.5
183.11703	0.6
184.08879	0.6
184.12471	1.0
185.09547	1.7
185.13235	1.5
187.07539	1.0
188.08292	0.9
189.09148	2.4
189.16422	0.4
199.11160	2.8
199.14835	39.2
200.15201	1.1
201.09077	0.8
201.16315	0.5
202.09886	0.4
203.10681	2.1
209.09721	0.6
209.13260	5.5
212.08182	0.7
217.12363	2.6
217.15846	2.4
227.10843	2.1
227.14325	7.8
228.14745	0.4
245.11745	7.5
245.15392	36.3
245.19167	0.9
246.15710	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1537
Annotation	Methyl 3,4-dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxylate
Peak:m/z	Relative Intensity
53.03950	0.6
55.05509	3.3
55.23466	0.5
57.07072	0.5
59.05003	0.7
61.57283	0.5
67.05507	4.6
69.03407	0.9
69.07070	7.1
73.46830	0.5
79.05499	5.1
81.07064	7.1
83.08619	1.1
87.04501	0.5
91.05476	8.0
93.06480	0.8
93.07053	10.2
95.04974	1.7
95.08614	7.3
101.53728	0.5
103.05459	1.3
105.07036	33.0
107.08604	7.5
109.06553	0.5
109.10161	2.1
115.05458	2.0
115.07568	1.2
117.07026	5.0
119.08591	7.8
121.06510	1.8
121.10131	2.9
123.11681	0.7
125.09663	0.9
128.06244	9.0
129.07011	7.7
130.07832	1.2
131.08572	12.9
133.06520	0.5
133.10126	4.5
135.11699	1.3
137.05899	0.6
141.06967	1.8
142.07779	6.0
143.08568	71.8
144.09192	0.9
145.09055	0.7
145.10129	9.2
146.10811	0.6
147.08073	0.5
147.11676	1.9
149.06001	0.9
149.13309	1.4
154.07773	0.7
155.08536	2.1
156.09355	1.6
157.10133	27.4
158.10849	0.7
159.08058	0.7
159.11713	5.0
160.22491	0.5
161.09608	1.5
161.13245	1.6
165.07039	1.0
167.08667	1.1
169.10138	7.1
170.10905	1.8
171.08064	0.7
171.11694	8.0
172.12282	0.9
173.13245	0.9
175.07486	0.7
175.11162	0.7
175.14786	1.3
180.09286	0.7
181.10110	1.6
183.11699	0.7
184.12500	2.6
185.09659	1.4
185.13258	5.4
189.09106	1.5
189.16385	3.0
197.13261	1.5
199.14832	100.0
200.15541	7.6
201.16397	8.1
203.10672	1.3
209.13243	2.2
217.12354	0.5
217.15916	2.5
227.10750	1.1
227.14330	4.5
245.11830	2.2
245.15385	74.6
245.22556	5.0
246.15694	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01870	8.6
55.05516	97.6
57.03441	31.9
59.04992	3.3
59.45008	1.9
67.05512	32.6
69.03432	11.8
69.07069	15.4
71.52209	4.2
79.05494	27.5
81.03433	2.5
81.07055	25.6
83.04992	8.6
83.08627	58.9
85.06541	3.0
91.05478	16.1
93.07053	14.8
95.04960	3.2
95.08607	6.1
97.10180	100.0
105.07045	17.2
106.85208	2.1
107.08606	34.9
109.06557	3.3
109.10168	6.5
111.08070	4.2
111.14243	2.1
115.05461	5.8
117.07028	7.2
119.04964	2.7
119.08596	7.0
121.06533	4.8
121.10134	3.7
125.09642	95.1
128.06233	3.9
129.07018	9.3
131.08562	8.0
133.10104	7.4
135.08057	7.6
137.05959	2.5
141.07028	6.4
142.07767	4.7
143.08563	11.5
143.10681	5.6
145.10127	4.9
147.08055	4.2
147.11720	5.1
149.09729	2.3
153.07013	3.6
153.09106	7.4
155.08582	4.8
156.09300	2.5
157.06548	2.8
157.10199	10.8
159.08017	4.2
161.09702	3.1
161.13223	3.4
165.07059	3.7
166.07822	4.7
169.06493	2.8
171.08092	3.0
171.10205	8.9
171.11691	7.9
173.09592	4.4
174.06755	3.7
175.07567	14.5
175.11188	4.5
181.10172	7.8
184.08900	3.9
185.06131	2.5
185.09613	8.6
185.13211	2.5
187.07516	5.1
189.09477	3.5
189.11235	81.0
189.12941	4.9
192.05385	2.1
199.07814	2.3
199.11201	15.4
203.10683	8.0
209.09622	2.7
217.12294	4.5
223.79271	2.1
227.10693	16.5
245.08095	3.3
245.11684	27.7
245.13626	50.8
245.15875	3.7
245.19049	5.9
245.22678	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	245.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01870	8.6
55.05516	97.6
57.03441	31.9
59.04992	3.3
59.45008	1.9
67.05512	32.6
69.03432	11.8
69.07069	15.4
71.52209	4.2
79.05494	27.5
81.03433	2.5
81.07055	25.6
83.04992	8.6
83.08627	58.9
85.06541	3.0
91.05478	16.1
93.07053	14.8
95.04960	3.2
95.08607	6.1
97.10180	100.0
105.07045	17.2
106.85208	2.1
107.08606	34.9
109.06557	3.3
109.10168	6.5
111.08070	4.2
111.14243	2.1
115.05461	5.8
117.07028	7.2
119.04964	2.7
119.08596	7.0
121.06533	4.8
121.10134	3.7
125.09642	95.1
128.06233	3.9
129.07018	9.3
131.08562	8.0
133.10104	7.4
135.08057	7.6
137.05959	2.5
141.07028	6.4
142.07767	4.7
143.08563	11.5
143.10681	5.6
145.10127	4.9
147.08055	4.2
147.11720	5.1
149.09729	2.3
153.07013	3.6
153.09106	7.4
155.08582	4.8
156.09300	2.5
157.06548	2.8
157.10199	10.8
159.08017	4.2
161.09702	3.1
161.13223	3.4
165.07059	3.7
166.07822	4.7
169.06493	2.8
171.08092	3.0
171.10205	8.9
171.11691	7.9
173.09592	4.4
174.06755	3.7
175.07567	14.5
175.11188	4.5
181.10172	7.8
184.08900	3.9
185.06131	2.5
185.09613	8.6
185.13211	2.5
187.07516	5.1
189.09477	3.5
189.11235	81.0
189.12941	4.9
192.05385	2.1
199.07814	2.3
199.11201	15.4
203.10683	8.0
209.09622	2.7
217.12294	4.5
223.79271	2.1
227.10693	16.5
245.08095	3.3
245.11684	27.7
245.13626	50.8
245.15875	3.7
245.19049	5.9
245.22678	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	245.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	3.1
70.06590	3.9
70.99949	5.0
79.05494	5.4
81.07056	11.6
81.23421	2.3
88.07608	3.5
90.16387	2.3
91.05489	11.9
93.07039	10.0
105.07018	7.7
109.06511	3.9
115.05445	9.0
117.07001	4.0
119.04964	2.7
119.08572	3.0
128.06256	14.1
129.06995	30.0
131.08580	16.1
133.10071	4.1
134.74239	2.4
137.05980	17.0
141.06975	23.9
142.07784	47.5
143.08585	17.5
145.10123	5.7
153.06961	7.5
155.08549	22.0
156.09306	9.3
157.06511	5.4
157.10136	69.9
159.08026	6.1
159.11650	3.8
165.05553	23.6
165.06961	4.8
166.07767	10.1
167.08592	6.7
168.09367	6.2
169.06490	4.8
170.07259	7.3
171.08093	3.2
171.11710	10.9
175.07492	2.9
181.10146	14.6
183.11743	4.6
184.08870	5.5
185.09634	100.0
187.07535	15.6
199.11194	80.5
200.11636	3.6
201.12729	3.6
203.10689	15.8
209.09627	4.4
227.10687	34.0
245.11746	43.0
246.24338	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	245.1175
Annotation	Onoseriolide
Peak:m/z	Relative Intensity
57.07072	3.1
70.06590	3.9
70.99949	5.0
79.05494	5.4
81.07056	11.6
81.23421	2.3
88.07608	3.5
90.16387	2.3
91.05489	11.9
93.07039	10.0
105.07018	7.7
109.06511	3.9
115.05445	9.0
117.07001	4.0
119.04964	2.7
119.08572	3.0
128.06256	14.1
129.06995	30.0
131.08580	16.1
133.10071	4.1
134.74239	2.4
137.05980	17.0
141.06975	23.9
142.07784	47.5
143.08585	17.5
145.10123	5.7
153.06961	7.5
155.08549	22.0
156.09306	9.3
157.06511	5.4
157.10136	69.9
159.08026	6.1
159.11650	3.8
165.05553	23.6
165.06961	4.8
166.07767	10.1
167.08592	6.7
168.09367	6.2
169.06490	4.8
170.07259	7.3
171.08093	3.2
171.11710	10.9
175.07492	2.9
181.10146	14.6
183.11743	4.6
184.08870	5.5
185.09634	100.0
187.07535	15.6
199.11194	80.5
200.11636	3.6
201.12729	3.6
203.10689	15.8
209.09627	4.4
227.10687	34.0
245.11746	43.0
246.24338	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	245.1174
Annotation	Lumiyomogin
Peak:m/z	Relative Intensity
53.03937	3.6
54.64645	0.9
55.01867	4.9
55.05500	3.5
55.66788	0.9
55.67916	1.1
57.03434	1.3
65.03935	2.9
67.01874	0.9
67.05511	7.9
69.03432	7.9
69.07061	2.2
69.44191	7.3
71.04977	1.6
73.55785	0.9
76.25885	0.9
77.03924	1.3
79.05499	13.9
81.03412	3.3
81.07053	11.9
83.04965	2.8
85.02908	1.7
91.05480	27.2
93.03384	1.1
93.07041	12.3
95.01328	1.2
95.04966	12.6
95.08611	4.5
97.02905	2.5
97.06545	1.3
98.97594	1.4
103.05447	5.3
105.03365	1.0
105.04487	1.1
105.07037	36.6
107.04955	9.5
107.08586	5.8
109.06533	6.8
109.10114	0.9
111.04425	1.4
115.05443	9.3
116.06229	3.9
117.07014	14.0
119.04928	6.8
119.08592	8.8
121.02876	1.5
121.06503	9.9
121.10127	1.2
123.04436	3.3
123.08069	1.6
127.05552	0.9
128.06232	19.2
129.07010	30.3
130.07771	2.7
131.04938	9.4
131.08578	21.4
133.06493	16.0
133.10121	6.1
134.07303	1.9
135.04398	4.1
135.08054	6.8
137.05983	2.6
141.06989	20.4
142.07784	22.2
143.04886	1.4
143.08565	36.8
144.05714	3.0
145.06487	11.1
145.10124	11.2
146.07259	1.0
147.04420	2.5
147.08041	7.3
147.11679	3.0
149.05986	2.7
149.09598	1.3
151.07542	3.1
152.06203	1.2
153.07022	7.8
154.07755	4.4
155.06042	2.6
155.08549	22.3
155.09738	1.9
156.09352	18.4
157.06500	14.6
157.10136	25.1
158.07289	5.5
159.04422	15.1
159.08063	15.1
159.11690	3.7
160.08821	2.4
161.05972	3.9
161.09595	2.1
163.07605	1.5
165.05569	1.6
165.06992	14.4
166.07777	22.1
167.08591	5.2
168.09341	4.6
169.06468	5.6
169.10144	7.8
170.07294	4.1
171.04573	1.2
171.08054	12.5
171.11688	25.8
172.08794	1.8
173.05966	2.6
173.09634	11.2
173.13205	1.4
175.03836	1.5
175.07570	3.0
175.11227	7.6
177.09100	1.1
179.08636	1.4
181.10130	35.3
183.08037	5.3
183.11668	5.6
184.08818	11.2
185.05977	6.9
185.09633	13.0
187.07561	7.8
187.11205	2.8
189.09134	3.4
189.12688	2.9
197.09660	4.4
199.07516	4.3
199.11188	63.2
200.11768	1.2
201.09126	3.5
201.12738	3.3
203.07083	3.1
203.10620	4.8
209.09613	12.0
212.08286	1.9
215.10657	5.5
217.08897	0.9
217.12236	26.2
227.10666	52.9
245.11740	100.0
245.23161	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1174
Annotation	Ferulin
Peak:m/z	Relative Intensity
53.03938	1.9
54.33489	1.2
55.01866	2.9
55.05494	4.0
57.03407	1.3
64.85394	1.1
65.03932	4.9
67.05505	11.6
69.03429	7.6
69.07042	2.0
71.04991	2.2
71.51220	2.1
79.05495	12.9
81.03409	2.4
81.07051	8.9
83.04977	2.8
85.02898	4.1
91.05479	26.9
93.07046	13.1
94.99432	1.0
95.04974	8.8
95.08578	3.5
97.02893	2.3
97.06498	1.4
98.97575	2.4
103.05457	5.4
105.03366	1.5
105.07032	25.2
107.04930	5.8
107.08591	7.2
109.02876	1.1
109.06513	3.9
113.02394	2.4
115.05448	8.9
116.06223	1.2
117.07013	18.3
119.04926	3.7
119.08571	13.8
121.02831	2.8
121.06509	9.7
123.04415	3.5
123.08051	2.8
128.06226	18.3
129.07001	32.8
130.07770	3.3
131.04918	4.0
131.08562	21.0
132.05684	2.2
133.06490	7.8
133.10141	7.7
135.04402	3.1
135.08005	3.3
137.05931	3.1
141.07001	15.2
142.07782	22.1
143.08559	31.2
144.09277	1.8
145.06503	11.8
145.10123	13.2
147.04391	4.2
147.08034	9.7
147.11652	2.9
149.05925	3.4
149.09587	2.0
152.06247	2.0
153.06973	5.3
154.07794	3.7
155.06081	1.5
155.08560	15.8
156.09351	15.5
157.06494	10.4
157.10124	29.5
158.07243	3.4
159.04402	3.2
159.08041	11.3
159.11684	3.1
160.08844	2.7
161.05952	12.8
161.09601	4.3
161.13286	1.6
163.07506	2.1
165.05713	1.6
165.07016	9.1
166.07745	12.9
167.08507	3.3
168.09331	2.1
169.06487	3.2
169.10167	5.3
170.07227	3.8
171.08057	9.5
171.11690	28.8
172.08878	1.8
173.05977	4.3
173.09618	12.1
173.13243	1.3
174.06734	1.6
175.07539	85.8
175.11058	6.3
178.65968	1.2
181.10129	19.3
183.08054	3.3
183.11687	3.8
184.08849	10.0
185.05994	4.7
185.09627	15.5
185.13213	1.4
187.07597	5.2
187.11140	2.1
188.08386	1.4
189.05458	2.6
189.09045	6.2
189.12729	5.1
191.06923	1.3
199.07500	2.3
199.11183	60.2
201.09111	4.6
201.12779	2.2
202.09860	1.8
203.06931	2.1
203.10678	13.8
209.09662	5.9
212.08432	2.1
215.10713	3.8
217.12221	28.6
227.10660	37.1
245.11731	100.0
245.15530	3.9
245.18861	2.6
246.12070	1.5
263.12686	2.0
269.13135	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1173
Annotation	Ferulin
Peak:m/z	Relative Intensity
50.37479	1.0
53.03940	4.5
55.01860	3.1
55.05494	3.7
55.33809	0.9
56.96551	1.6
57.03437	1.7
62.91480	0.9
65.03932	1.4
67.05512	7.6
69.03414	4.6
69.07070	2.4
71.04977	1.5
71.50954	1.6
77.03925	2.0
79.05075	1.2
79.05499	21.1
81.03421	20.6
81.07063	14.5
83.04951	1.8
91.05480	32.5
93.07044	13.5
95.04003	1.1
95.04975	10.3
95.08615	6.3
95.12344	1.1
97.06551	1.5
97.10158	1.4
98.97569	1.2
103.05456	4.3
105.03400	3.8
105.04498	2.1
105.07031	27.1
106.07375	1.1
107.04970	7.2
107.08597	7.4
109.06510	2.3
109.10137	1.2
111.04453	1.2
115.05437	9.9
116.06223	1.8
117.06227	1.7
117.07019	19.3
119.04932	5.3
119.08586	8.3
121.06505	6.9
121.10139	1.1
123.04420	3.7
123.08046	1.1
128.06218	20.4
129.07010	70.5
130.07771	4.5
131.04939	9.1
131.08574	28.9
132.09331	2.9
133.06494	5.2
133.10130	3.8
135.04401	3.6
135.08070	1.9
137.06010	1.2
141.06984	21.6
142.07791	11.7
143.08565	37.4
144.05721	1.4
145.06477	9.7
145.10123	19.4
146.07307	2.4
147.04425	2.8
147.08066	5.9
147.09055	1.1
151.03909	28.9
151.07507	1.7
152.06186	1.6
153.07034	8.9
154.07751	4.4
155.06029	1.9
155.08560	38.7
156.09354	16.4
157.06497	24.3
157.10130	15.2
158.07222	2.8
159.04431	14.7
159.08055	13.1
160.08827	7.6
161.05965	5.2
161.09581	2.4
161.13293	2.1
163.03993	1.5
163.07584	2.0
165.05577	1.8
165.06989	13.1
166.07803	18.8
167.08591	4.9
168.09314	4.2
168.88086	1.0
169.06480	3.1
169.10132	6.2
170.07202	1.3
171.08072	10.3
171.11693	55.3
172.08746	1.1
172.12068	1.3
172.58928	1.1
173.05980	1.6
173.09622	14.5
174.06764	3.6
175.03886	1.4
175.07545	10.2
175.11180	2.6
177.09125	5.3
179.08546	2.3
181.10135	37.5
183.08075	4.5
183.11710	6.2
184.08824	7.6
185.05977	4.3
185.09619	8.9
185.13293	2.4
187.07574	2.3
189.05499	1.6
189.09109	3.1
189.12767	4.1
197.09627	2.5
199.11185	99.4
200.11630	2.0
201.09145	13.8
201.12715	2.4
203.10699	5.3
209.09604	8.8
212.08322	1.7
215.10683	1.2
217.08791	1.6
217.12221	16.6
227.10680	51.4
227.14154	1.7
228.10930	1.6
245.07986	4.4
245.11734	100.0
245.15320	5.3
245.22629	3.1
246.12054	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	245.1175
Annotation	Ferulin
Peak:m/z	Relative Intensity
53.03950	3.5
55.01870	6.7
55.05505	7.8
61.90559	1.5
65.03933	4.8
67.05517	10.5
68.90107	1.7
69.03434	8.1
69.07065	3.9
79.05499	22.5
81.03422	27.3
81.07060	20.4
82.30141	1.7
83.04976	4.7
84.33113	1.5
91.05486	44.7
93.03387	3.4
93.07042	19.3
95.04966	11.2
95.08604	6.4
103.05451	6.2
105.03407	2.2
105.07031	40.1
107.04965	9.1
107.08611	9.4
109.06535	4.2
110.56266	1.9
115.05466	15.2
116.06242	5.3
117.07030	21.5
119.04939	6.1
119.08584	12.5
121.06477	7.6
121.10128	5.2
123.04404	3.9
128.06227	32.0
129.07011	67.1
130.07773	3.7
131.04912	13.1
131.08588	48.4
133.06502	7.2
133.10109	5.8
135.04430	5.8
135.08032	5.5
141.07010	27.2
142.07784	21.1
143.04932	1.7
143.08574	48.8
144.05795	2.0
145.06476	9.4
145.10138	18.4
147.04459	4.0
147.08063	5.6
149.09584	5.5
151.03918	13.2
151.07553	2.5
153.07008	13.5
153.38600	1.8
154.07794	6.0
155.06050	2.7
155.08563	40.3
156.09351	20.8
157.06511	18.4
157.10139	19.4
158.07249	4.1
159.04417	21.7
159.08057	14.3
160.08804	6.1
161.05977	7.6
161.09669	4.3
161.13258	1.8
163.07558	3.7
165.05663	2.8
165.06992	23.9
166.07784	29.4
167.08582	5.2
168.09312	4.1
169.06506	5.1
169.10114	14.4
171.08081	14.6
171.11702	57.3
173.05981	5.1
173.09663	13.7
175.07576	13.2
175.11098	3.8
177.09158	4.3
179.08609	3.8
181.10127	46.9
183.08064	7.4
183.11691	8.2
184.08859	7.4
185.06029	6.7
185.09633	13.5
187.07578	4.4
189.05405	3.3
189.09119	6.9
189.12766	5.3
197.09644	5.3
199.11194	98.7
200.11707	1.9
201.09134	14.4
201.12801	4.6
203.07086	3.0
203.10692	7.0
209.09673	12.5
212.08440	4.1
215.10710	1.9
217.12259	21.5
227.10689	59.8
229.02144	1.7
242.81685	1.8
245.11752	100.0
245.15341	10.3
245.18942	3.3
246.12109	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	245.1176
Annotation	Ferulin
Peak:m/z	Relative Intensity
53.03939	2.5
55.01868	3.2
55.05504	3.2
55.71188	0.8
65.03946	0.8
67.01852	0.9
67.05508	4.8
67.40603	0.9
69.03426	3.8
70.95581	2.2
71.04993	1.3
77.03953	1.4
79.05501	7.7
81.07066	6.7
83.01350	1.4
83.04998	1.6
91.05493	15.9
93.07066	9.4
95.04989	5.7
95.08607	3.0
99.00808	1.1
103.05476	2.6
105.04537	1.6
105.07038	15.4
107.04964	2.5
107.08603	4.1
109.06512	4.2
115.05458	6.5
116.06236	1.5
117.07035	11.2
119.04937	2.0
119.08613	7.2
121.06513	5.6
121.10182	1.6
123.08080	1.6
125.02261	0.9
128.06224	14.8
129.07014	22.1
130.07774	2.4
131.04988	1.0
131.08578	15.9
132.05754	1.1
133.06514	2.5
133.10158	4.2
135.04398	1.1
135.08069	2.0
135.11737	1.2
137.05983	3.5
141.07010	15.5
142.07796	27.1
142.43912	0.8
143.04910	1.1
143.08577	32.9
144.05698	1.3
144.09251	1.5
145.06490	10.1
145.10138	17.6
146.07280	0.9
147.04396	1.4
147.08049	4.7
147.11725	1.3
149.06001	2.8
149.09642	1.5
151.03944	0.9
152.06186	1.5
153.05835	1.4
153.06989	7.5
154.07782	2.1
155.06070	1.9
155.08578	17.2
156.09360	20.0
157.06535	5.5
157.10144	39.6
158.07262	3.2
158.10785	1.5
159.08078	11.5
159.11705	5.2
160.08813	5.7
161.05995	4.3
161.09668	4.2
163.07533	1.1
165.05508	3.8
165.07008	14.7
166.07806	20.3
167.08582	3.6
168.09335	5.8
169.06474	6.0
169.10138	2.6
170.07283	3.1
171.08078	9.8
171.11697	32.7
172.08794	1.4
173.05972	1.7
173.09656	10.4
173.13271	2.5
175.07600	5.9
175.11220	6.5
181.08521	1.7
181.10132	36.3
183.08055	3.1
183.11711	4.6
184.08841	11.4
185.05995	1.5
185.09645	20.2
185.13251	0.9
187.07510	6.3
188.08363	2.2
189.09106	7.0
189.12794	2.3
199.11201	78.7
200.11818	2.1
201.09091	3.2
201.12801	9.0
203.07066	2.2
203.10709	9.3
209.09621	5.9
212.08301	2.6
215.10696	1.3
217.12273	12.4
227.10690	31.7
227.17966	1.2
245.11754	100.0
245.18837	2.1
246.12083	1.4
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
70.38739	20.4
74.61381	5.4
94.93017	100.0
96.54461	6.2
101.00913	6.9
102.41608	5.0
104.10752	42.4
113.55552	5.8
119.01926	17.4
137.02863	4.9
143.01904	7.4
145.03491	9.6
157.03397	7.8
161.02954	15.2
173.03009	8.9
177.09357	5.3
185.02986	15.9
187.04535	6.5
203.04132	5.7
218.92340	5.4
245.05092	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96346	1.1
56.96571	12.7
58.99858	2.1
59.66589	1.1
60.08162	1.4
61.50193	1.0
68.98281	2.7
69.03419	4.5
70.06584	1.8
70.98116	2.8
70.99856	2.1
71.04967	1.8
71.14819	2.3
71.95268	1.3
72.08156	1.4
73.02905	1.0
77.00893	1.3
81.03439	7.4
82.99830	8.9
84.08150	3.6
85.01386	1.6
85.02900	1.9
86.09698	2.9
86.99330	3.1
88.99098	1.0
94.99850	1.6
97.01388	1.5
97.02888	3.3
98.97595	12.6
99.04463	1.8
101.00893	69.4
102.00990	1.7
103.00636	3.8
103.02450	1.9
104.10754	18.6
105.00342	1.2
109.02849	1.4
110.97590	1.4
111.02949	1.3
112.05045	1.1
113.00880	10.7
113.03494	1.3
115.02420	7.6
116.98641	5.2
117.04007	1.5
119.01934	89.1
120.02057	2.2
121.01661	4.8
124.95470	2.6
125.00953	1.7
127.02441	5.5
127.03871	1.6
128.98654	1.5
129.03943	3.2
131.01917	21.1
133.01768	1.1
133.03526	8.9
137.02951	10.6
139.02393	5.8
141.03955	2.3
142.03479	1.2
142.96310	1.0
143.01917	55.7
144.02032	1.3
145.01706	1.5
145.03465	15.1
147.01378	1.7
147.05040	3.0
149.02936	2.9
155.01918	14.6
157.03488	34.0
158.99675	2.1
159.03297	1.1
159.05017	6.4
161.02975	100.0
162.03168	2.3
163.02643	1.8
163.04543	2.0
167.01952	6.6
169.03484	8.6
170.96016	3.2
171.05045	3.7
172.97581	1.5
173.02975	27.0
174.03052	1.4
175.04544	18.0
179.00644	2.8
179.02028	2.0
179.04071	2.6
184.04750	1.1
185.01346	2.5
185.02972	35.4
185.04617	2.5
187.02980	1.6
187.04555	20.0
188.97096	5.0
189.06142	3.4
190.98618	1.6
191.03941	6.7
197.02957	9.2
199.02818	2.2
199.04485	11.9
201.02446	1.2
201.06029	2.0
202.98660	1.7
203.02251	3.8
203.04033	23.9
204.33992	1.2
215.04007	7.3
217.03749	2.1
217.05623	13.9
220.99794	2.4
221.01721	3.3
221.03355	2.4
221.05084	6.5
227.04108	5.4
233.05057	3.0
245.05084	60.6
245.11971	1.7
246.05304	1.2
263.02899	17.2
263.06134	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	245.0058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74202	5.0
54.00912	4.8
69.20086	53.0
72.08150	6.3
81.03412	5.5
83.06126	27.4
94.93024	100.0
98.20924	19.3
101.00881	48.7
104.10754	93.8
105.11115	8.5
113.00857	12.5
115.02447	6.2
119.01928	71.5
131.01915	22.9
133.03467	10.1
137.02997	12.9
143.01894	26.2
145.03470	13.3
155.01836	15.8
157.03465	18.4
161.02962	53.7
167.01950	6.4
169.03407	8.4
171.05077	7.2
173.02983	24.3
175.04427	9.6
185.02995	42.9
187.04561	12.5
197.03015	9.3
203.04015	20.8
221.05020	8.1
245.04907	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.2061
Annotation	Phencyclidine
Peak:m/z	Relative Intensity
53.03938	0.5
55.05507	3.3
56.05815	0.4
57.07053	0.9
58.06573	1.4
65.03902	0.5
67.05508	7.0
68.05811	1.4
69.07076	4.9
69.30849	1.1
69.31247	3.4
79.05493	6.4
80.05796	1.5
81.07056	10.1
82.07368	2.0
83.08587	1.3
88.37831	0.5
91.05480	10.7
92.05813	2.7
93.06503	0.5
93.07047	7.2
94.06557	3.3
94.07336	2.1
95.04958	0.7
95.08608	6.3
96.08199	0.5
96.08907	1.8
105.07036	10.9
106.07352	2.8
107.08585	5.2
108.07410	0.7
108.08078	6.0
108.08875	1.2
109.10152	3.4
109.50931	0.5
110.10485	2.0
115.05418	0.7
117.07032	4.2
118.07348	2.2
119.08591	8.0
120.08076	1.2
120.08874	3.4
121.10133	3.3
122.10393	2.2
123.11668	1.4
124.12011	0.6
128.06158	1.2
129.05444	0.5
129.07002	3.0
131.08577	17.0
132.08902	4.5
133.10144	4.5
134.10490	2.8
135.11710	2.5
136.12004	1.4
142.07695	0.8
143.08572	4.0
145.09076	0.5
145.10144	8.0
146.09444	0.7
146.10538	4.5
147.11688	5.9
148.12053	3.8
149.13211	1.2
150.13574	0.9
156.09308	0.7
157.10051	1.7
158.09608	0.8
159.10429	0.8
159.11649	2.5
160.11978	2.8
161.13245	3.4
162.12572	0.5
162.13614	5.0
163.14717	0.6
171.11642	1.5
173.13223	1.7
174.13710	4.0
175.14726	0.6
176.15269	0.6
177.35767	0.4
185.13197	0.8
186.12730	2.0
187.14862	3.7
188.15286	3.6
199.14777	0.5
201.14909	0.7
202.16556	0.9
203.17912	0.5
224.63202	0.5
227.17963	3.5
244.20653	100.0
245.20937	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1747
Annotation	Montiporyne C
Peak:m/z	Relative Intensity
53.03943	4.7
55.01867	1.9
55.05505	5.8
56.96593	1.6
57.03446	1.9
65.03932	2.4
67.05511	27.1
69.03432	5.9
69.07092	8.1
69.92964	1.6
70.13225	6.6
70.13579	1.5
71.05005	2.0
76.48869	1.7
79.05500	26.2
81.03407	3.0
81.07058	34.9
83.04988	3.6
83.08604	2.7
91.05486	37.4
93.07047	28.9
95.04964	8.0
95.08616	20.4
97.03010	1.7
97.06526	7.7
97.10154	1.6
98.21445	2.0
100.11306	1.9
103.05463	2.6
105.07042	54.7
107.04949	4.4
107.08605	17.1
109.06510	7.1
109.10162	6.6
111.08068	2.4
115.05478	7.4
116.06240	1.8
117.07024	21.6
119.05002	2.4
119.08589	36.4
121.06529	4.3
121.10155	11.5
123.08102	3.7
128.06227	18.3
128.44881	1.6
129.07004	27.1
130.07773	5.6
131.04958	2.8
131.07599	3.0
131.08574	44.1
133.06506	4.7
133.10135	38.4
135.04405	2.6
135.08018	2.6
135.11685	8.7
141.07001	22.2
141.07993	2.1
142.07816	6.6
142.15921	1.7
143.08585	31.1
144.09351	4.4
145.06494	7.7
145.10135	32.2
147.08061	7.9
147.11702	20.1
149.05945	2.5
149.09619	5.9
149.13277	2.6
152.06174	1.8
153.07010	10.8
154.07782	24.2
155.06111	2.0
155.08572	26.9
156.09375	5.9
157.06525	7.8
157.10147	21.6
158.07242	4.1
159.04436	2.2
159.08110	9.6
159.11710	51.4
161.05952	4.4
161.09581	3.5
161.13269	9.2
163.11179	5.1
165.06972	4.0
166.07835	3.2
167.08600	8.8
168.09377	5.4
169.06490	3.6
169.10143	50.9
170.10866	2.6
171.08144	8.8
171.11644	8.5
172.08763	2.3
173.06042	2.1
173.09628	17.3
173.13286	8.7
175.11250	4.0
178.07803	3.4
179.08603	7.9
181.06470	3.1
181.10130	4.6
182.07266	12.3
182.10867	3.2
183.08066	7.0
183.11716	24.5
183.13342	3.2
184.08820	1.6
185.05988	10.1
185.09659	3.9
185.11821	1.6
185.13300	8.4
186.10275	2.2
187.07611	2.5
187.11224	15.5
187.14845	5.8
189.09155	2.1
197.09636	44.0
197.13245	15.8
198.10345	2.7
199.07529	4.7
199.11206	4.6
199.14850	24.2
200.08340	3.2
200.15172	1.8
201.09175	10.5
201.12804	2.7
201.16423	3.7
207.08089	2.0
210.06767	2.5
210.14073	2.3
213.09209	2.1
213.16449	2.8
214.09833	3.9
215.07141	2.1
215.10703	22.3
215.14330	7.2
215.17937	15.9
225.09074	17.7
225.12735	3.5
225.16406	51.4
228.11505	2.9
243.06572	2.6
243.10185	61.8
243.13832	40.5
243.17459	100.0
243.21021	12.0
243.28763	2.9
244.10555	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	243.1745
Annotation	Montiporyne C
Peak:m/z	Relative Intensity
53.03933	3.8
55.01869	2.2
55.05506	4.8
56.59376	1.3
65.03934	2.7
67.05508	44.7
69.07056	4.6
69.71617	7.4
73.25457	1.2
75.41853	1.2
77.03896	2.1
79.05072	2.2
79.05498	25.2
81.07060	22.9
83.04961	2.6
83.08649	1.9
91.05483	55.2
93.07047	51.6
95.04956	3.8
95.08614	21.5
97.06550	3.4
99.98936	1.5
103.05466	1.8
105.07037	33.6
107.04907	2.2
107.08606	13.7
109.10168	2.8
115.05430	4.1
117.07015	18.4
119.07809	2.6
119.08591	32.7
121.06488	2.7
121.10145	10.5
123.08041	2.5
128.06224	4.5
129.07022	18.5
130.07816	2.4
131.08566	43.0
133.06529	2.0
133.10132	37.5
135.08073	2.8
135.11710	8.0
141.06999	13.0
142.07776	3.1
143.08568	23.6
145.06532	1.6
145.10121	28.3
147.08047	3.2
147.11676	7.6
149.09639	3.8
153.06958	2.6
154.07741	5.7
155.08562	16.9
156.09303	2.0
157.10138	14.3
159.08156	1.4
159.11713	22.1
161.09630	2.8
161.13243	3.4
163.11189	5.2
167.08618	2.0
168.09351	2.5
169.10133	28.1
170.10646	1.9
171.11662	9.7
173.09631	2.6
173.13269	12.1
175.11180	2.7
177.12794	1.7
179.08594	1.8
181.10117	2.7
183.11694	22.0
184.12395	3.1
185.13263	7.3
187.11116	4.0
187.14836	4.9
195.11612	2.1
196.12410	1.9
197.09616	5.5
197.13281	13.9
199.14842	5.6
200.15385	1.6
201.12712	1.5
201.16409	2.2
210.13922	1.9
215.10654	2.7
215.14316	3.4
215.17964	14.5
225.09076	3.3
225.16406	55.6
226.16652	1.4
243.10301	10.3
243.13605	3.6
243.17455	100.0
243.21228	5.2
244.17699	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	243.1594
Annotation	A factor
Peak:m/z	Relative Intensity
53.03958	3.7
55.01860	11.9
55.05525	14.1
56.70368	2.8
57.07060	3.7
67.05507	14.3
69.03436	6.1
69.07071	16.3
70.63438	11.6
71.05009	6.2
79.05511	14.7
81.07056	51.9
83.04987	5.2
83.08607	11.4
85.06540	5.8
91.05482	19.0
92.08346	3.5
93.07047	75.8
95.04997	17.5
95.08619	19.3
97.06531	21.1
99.08078	5.5
105.07029	24.5
107.08596	37.9
109.06525	21.0
109.10148	8.3
111.08100	27.2
115.05450	4.7
117.07004	4.7
119.08588	9.9
121.06473	7.0
121.10128	5.2
123.08088	7.5
123.11705	34.6
125.09624	6.4
127.07580	2.9
128.06195	4.7
129.07024	7.6
131.04845	2.9
131.08548	6.9
133.06442	3.4
133.10150	3.2
135.08049	18.0
137.05972	4.8
137.13272	8.5
141.06956	8.1
143.08574	9.4
145.10121	8.2
147.08055	3.7
147.11716	26.0
153.06995	5.6
154.07785	8.5
155.08549	10.1
159.08031	6.8
160.52371	3.3
161.06021	4.1
161.13251	7.4
165.07130	3.1
165.12799	40.6
166.07770	3.5
169.08583	12.8
169.10126	13.9
171.08015	5.3
171.11627	5.4
172.08803	5.3
173.09682	4.6
179.08536	3.8
183.12021	4.8
183.13815	100.0
185.06065	4.1
187.11127	8.9
189.12720	12.1
197.09636	18.6
197.13292	3.2
199.11151	3.2
201.09171	6.0
207.13809	30.2
215.10696	7.9
215.14278	4.8
217.88533	3.1
225.14836	26.3
243.10208	31.5
243.13860	16.9
243.17670	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	243.1745
Annotation	Montiporyne C
Peak:m/z	Relative Intensity
51.02356	1.1
53.03939	1.5
55.01868	2.0
55.05505	4.3
57.03423	1.4
57.07064	0.9
60.23761	1.0
65.03922	1.4
67.05507	11.7
69.03449	1.8
69.07050	2.7
71.05004	4.8
79.05493	16.2
81.03409	2.3
81.07060	21.1
83.04997	4.7
83.08623	0.8
85.02891	0.8
85.06492	1.4
91.05482	23.2
93.06487	1.1
93.07050	18.9
94.07226	0.7
95.04965	2.9
95.08602	12.8
97.06535	2.9
99.15961	1.0
103.05493	1.6
105.07037	48.0
107.04929	1.3
107.07887	1.0
107.08599	17.9
109.06513	3.4
109.10152	3.0
115.05457	2.7
115.25433	0.8
116.06203	1.7
117.07025	10.1
119.04900	1.1
119.08583	17.5
121.06493	3.5
121.10131	6.3
123.08041	1.5
128.06236	8.0
129.07014	13.7
130.07797	1.6
131.08572	25.8
133.06471	1.8
133.10127	11.3
135.04378	1.0
135.08080	1.2
135.11682	2.8
141.06993	13.3
142.07796	7.7
143.08577	26.5
144.09343	1.9
145.06474	3.6
145.10130	24.2
147.08072	4.2
147.11687	4.8
149.09598	3.6
151.11218	0.9
153.06995	4.8
154.07791	9.0
155.08565	24.6
156.09329	4.2
157.06482	2.6
157.10133	21.2
158.07278	1.5
159.08110	3.7
159.11702	16.2
161.05984	1.8
161.09618	2.3
161.13281	3.7
163.11261	1.0
165.07027	2.1
166.07828	1.1
167.08591	2.7
168.09338	5.2
169.10136	28.0
169.11595	1.6
170.10808	2.5
171.08057	2.5
171.11700	8.6
173.09622	6.7
173.13249	4.8
175.11137	1.7
179.08546	2.6
181.06465	1.6
181.10138	2.4
182.07304	1.9
182.10902	3.2
183.08020	1.5
183.11700	29.9
184.12479	3.0
185.06020	3.3
185.09724	1.1
185.13190	4.1
186.10335	0.8
187.07536	1.4
187.11218	6.9
187.14838	6.0
195.11678	1.6
196.12459	1.0
197.09651	9.7
197.13252	15.0
199.07536	2.6
199.11162	1.8
199.12965	1.5
199.14821	27.7
200.15259	1.2
201.09123	3.5
201.12773	2.9
201.16393	4.2
210.14037	1.6
213.09251	1.8
214.09860	1.3
215.10709	6.2
215.14302	7.0
215.17906	5.1
223.14874	1.0
225.09209	4.1
225.16383	39.3
228.11597	1.5
229.12694	0.8
243.06444	1.6
243.10188	20.6
243.13815	17.5
243.17455	100.0
243.20969	6.3
243.28778	2.1
244.17770	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1381
Annotation	4,4'-(2-Methylpropylidene)bisphenol
Peak:m/z	Relative Intensity
53.03958	0.7
55.01867	0.8
55.05511	1.7
57.03440	3.1
57.07063	0.3
67.05498	1.5
69.03433	1.2
69.07077	1.2
70.17367	0.9
71.05002	0.4
71.11192	0.3
79.05496	1.8
81.07053	1.2
83.04967	0.5
91.05479	3.0
93.07049	1.3
95.04977	1.1
95.08640	0.6
103.05457	0.4
105.07028	4.5
107.04981	0.5
107.08602	0.6
109.06516	0.8
115.05396	1.5
116.06271	0.7
117.07011	3.1
119.04964	1.2
119.08573	2.2
119.81203	0.3
121.06519	1.3
123.04453	0.3
123.08076	0.8
128.06224	4.3
129.07008	6.1
130.07816	1.8
131.04910	0.8
131.08580	4.3
133.06497	1.1
133.10136	0.5
135.04439	0.7
135.08064	0.7
141.06996	7.2
142.07788	1.8
143.08566	6.5
144.05722	0.9
144.09358	0.9
145.06476	4.4
145.10133	9.6
146.07307	0.4
147.08054	1.6
149.05962	0.4
150.98793	0.4
152.06242	0.9
153.07013	5.4
154.07787	11.4
155.08559	6.5
156.09357	1.7
157.06493	2.3
157.10152	2.9
158.07283	6.9
158.10907	0.7
159.08058	9.7
159.11707	4.6
160.08821	1.6
161.06004	0.5
161.09592	1.7
165.07028	2.0
165.08241	0.4
166.07819	1.4
167.08586	4.3
168.09334	1.1
169.06435	0.6
169.10130	19.6
170.07288	0.6
170.10625	0.7
171.08047	6.7
171.11743	1.3
172.08846	4.5
172.10193	0.5
173.05965	1.0
173.09630	17.2
173.13245	0.5
174.10396	2.4
175.04037	0.3
175.07495	0.3
178.07806	0.8
179.08583	4.2
181.06490	3.1
181.10141	0.8
182.07285	9.3
182.10938	1.3
183.08006	1.9
183.11659	0.6
184.07425	0.3
184.08810	1.4
185.06017	1.8
185.09628	3.4
185.13187	0.4
186.10396	5.9
187.07542	1.3
187.11188	12.6
187.14819	1.2
189.09109	2.6
195.08031	1.5
196.08820	1.5
197.09630	30.0
197.13251	2.5
198.10208	0.7
199.07558	6.2
199.11195	2.5
200.08337	1.3
200.11990	2.6
201.05470	0.5
201.09111	5.2
201.12688	0.7
207.11765	0.4
210.10403	1.6
211.54398	0.3
213.09128	5.1
213.12662	0.6
213.61517	0.4
214.09892	6.9
215.07332	0.6
215.10809	6.3
215.14320	19.4
216.45920	0.3
225.09138	5.3
225.12622	1.7
227.10815	0.4
228.11465	5.8
242.28642	0.4
243.10196	22.5
243.13834	100.0
243.28824	1.1
243.64917	0.3
244.10472	0.5
244.14113	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1019
Annotation	4,5-Bisphenol-o-quinone
Peak:m/z	Relative Intensity
50.63289	0.8
53.03937	3.0
55.01879	5.6
59.01994	0.8
60.28280	1.0
61.29260	0.9
65.03954	2.4
67.01852	1.2
67.05508	5.3
69.03430	5.0
69.07082	1.1
70.41270	2.6
71.05003	1.1
72.43031	0.8
74.11844	0.9
77.90230	0.8
78.26345	0.9
79.05496	10.4
80.48460	0.8
81.03416	3.4
81.07046	2.5
82.35430	0.8
83.04978	0.8
85.02903	2.0
91.05486	18.8
93.03430	1.3
93.07045	6.3
95.04980	13.4
97.02900	1.9
98.20852	1.8
103.05454	3.7
105.03382	1.2
105.04486	1.1
105.07038	20.5
107.04950	6.9
107.08588	1.5
109.02885	2.7
109.06550	2.1
115.05445	10.0
117.07022	8.5
119.04946	2.9
119.08608	3.3
121.02882	1.4
121.06514	15.0
122.07293	1.3
123.04428	2.2
128.06219	20.3
129.07016	22.4
130.07823	4.5
131.04948	3.4
131.08578	10.6
132.05682	1.5
133.06506	6.5
134.07170	1.0
135.04445	5.1
141.05984	1.8
141.07005	24.6
141.27782	0.9
142.07768	5.8
143.08568	18.0
144.05760	1.6
144.09334	2.0
145.06494	10.0
145.10129	8.3
146.07281	2.6
147.04448	2.4
147.08057	5.9
149.06004	2.0
152.06213	4.4
153.07002	15.7
154.07784	33.9
155.06073	2.6
155.08563	24.8
156.09315	3.8
157.06517	5.9
157.10086	2.7
158.07286	7.5
159.04446	1.4
159.08104	8.1
159.11644	4.8
161.05977	3.3
161.09561	1.4
163.03973	1.2
165.06998	6.6
165.12801	1.2
166.07819	4.7
167.08533	5.5
168.05717	2.5
168.09302	2.0
169.05174	1.0
169.06453	4.7
169.10135	37.3
171.08066	15.3
171.11693	3.6
172.08812	4.4
173.06032	6.2
173.09633	14.7
178.07768	4.4
179.08575	15.1
181.06503	6.1
181.10135	2.8
182.07283	17.2
183.08026	10.0
183.11664	1.7
184.08803	2.5
185.05974	3.0
185.09605	2.2
187.07552	2.6
187.11211	11.6
189.09120	2.5
197.09627	58.4
198.10298	2.4
199.07553	5.8
199.11211	6.6
200.08292	1.4
201.05455	1.4
201.09151	13.5
207.07828	1.3
210.06775	1.3
213.09074	2.2
214.09879	1.6
215.10677	28.4
225.09116	22.4
225.11185	1.9
243.10182	100.0
243.21053	1.2
244.10513	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1017
Annotation	Taraxacin
Peak:m/z	Relative Intensity
50.31324	1.5
53.03926	1.7
55.01866	4.1
55.05515	1.9
61.92199	1.5
65.03942	1.6
67.05511	2.6
69.03422	4.3
71.10594	2.0
78.80787	1.5
79.05476	3.9
81.07045	1.7
91.05486	10.9
93.07063	1.3
95.04966	2.3
100.67735	1.4
103.05463	2.5
105.07028	7.1
107.04944	3.6
109.06549	1.4
115.05451	8.7
115.44890	1.3
117.07014	12.2
119.08599	1.5
121.06497	1.8
128.06233	30.3
129.07014	24.8
130.07770	3.4
131.08601	10.3
131.84143	1.5
141.06995	33.2
142.07784	10.3
143.08562	36.7
144.05653	1.9
145.06503	7.6
145.10115	10.6
147.08006	3.2
152.06212	4.2
153.07014	20.5
153.18346	1.4
154.07779	57.1
155.06010	3.3
155.08569	37.6
156.09346	4.9
157.06485	6.6
157.10127	3.2
158.07263	6.0
159.08018	5.4
159.11722	4.9
165.07005	8.1
166.07802	4.8
167.08569	27.8
168.05666	2.3
169.06473	5.5
169.10129	100.0
170.10625	1.8
171.08047	15.5
171.11684	7.6
172.08865	2.7
173.05980	4.4
173.09624	22.5
178.07796	4.7
179.08542	23.8
181.06447	7.1
181.10138	4.6
182.07249	18.6
183.08028	9.1
184.08766	2.0
185.09660	1.5
187.07599	2.5
187.11198	11.2
189.09103	4.8
195.08028	2.8
197.09627	97.3
198.10039	2.6
199.07553	7.1
199.11191	13.3
200.08281	2.2
201.05342	2.2
201.09114	16.8
207.07993	2.1
213.09032	3.7
215.07173	1.6
215.10674	33.1
216.11176	1.6
225.09116	33.8
243.10173	94.2
244.10626	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	243.1018
Annotation	Taraxacin
Peak:m/z	Relative Intensity
50.44552	1.4
53.03936	4.9
55.01864	4.2
65.03934	3.9
67.05496	3.6
69.03423	6.8
69.77857	2.8
69.78261	4.9
77.03911	2.1
79.05501	11.2
81.03400	4.4
81.07077	2.9
83.04976	1.7
91.05491	20.3
93.07040	6.5
95.04984	14.1
97.02901	1.3
98.21474	2.6
99.41782	1.2
103.05473	5.2
105.07033	21.4
107.04937	8.2
109.02898	2.2
109.06511	1.5
111.04462	1.6
115.05474	11.3
117.07018	13.8
119.04935	3.9
119.08565	5.0
121.06521	16.9
123.04413	2.5
125.02388	1.2
128.06223	20.0
129.07013	22.9
130.07831	3.3
131.04921	5.3
131.08572	9.6
132.05760	1.3
133.06493	6.0
133.10135	1.4
135.04410	4.1
141.06993	25.3
142.07799	6.7
143.08574	20.7
144.05774	1.9
144.09354	2.3
145.06505	18.5
145.10136	10.4
146.07263	2.1
147.04419	2.1
147.08052	7.2
149.05945	2.4
152.06197	3.9
153.06985	15.6
154.07776	37.0
155.04945	1.5
155.06038	1.6
155.08562	23.2
156.09300	3.7
157.06575	8.0
157.10176	3.7
158.07324	6.1
159.08046	7.5
159.11795	6.2
161.05986	3.1
165.07031	6.5
166.07750	7.0
167.08553	5.5
168.05685	3.0
169.06497	5.2
169.10139	39.3
171.08061	23.8
171.11697	3.5
172.08820	4.5
173.05980	5.5
173.09639	13.7
178.07809	5.0
179.08575	14.4
181.06485	5.9
181.10129	3.8
182.07295	16.9
183.08044	10.4
184.08797	3.4
185.05980	3.8
185.09680	3.2
187.07544	4.9
187.11200	11.6
189.09108	2.3
195.07990	1.5
197.09630	61.5
199.07530	7.8
199.11154	6.7
200.08376	2.8
201.05409	1.6
201.09120	11.5
207.08159	1.9
210.06723	2.2
213.09250	1.5
214.09944	1.4
215.07202	2.2
215.10669	30.0
225.09096	30.4
243.10191	100.0
252.72688	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1017
Annotation	4,5-Bisphenol-o-quinone
Peak:m/z	Relative Intensity
53.03933	4.4
55.01859	4.2
55.05491	1.3
58.49971	1.4
65.03936	2.8
67.05501	3.3
69.03430	5.2
69.78481	7.7
69.78806	1.2
77.03904	1.2
79.05486	11.6
81.03426	3.0
81.07042	2.4
84.20568	1.3
91.04987	1.5
91.05494	18.8
92.18231	1.2
93.07037	5.8
95.04967	11.8
103.05479	4.7
105.07037	15.1
106.85418	1.2
107.04935	6.8
107.08603	1.6
109.02905	2.8
109.06524	3.2
109.54893	1.2
115.05448	9.9
117.07053	9.9
119.04951	3.2
119.08590	4.1
121.06522	19.1
123.04439	2.3
128.06233	24.0
129.07030	23.5
130.07787	5.2
131.04938	3.6
131.08589	10.3
133.06490	3.9
135.04428	5.0
141.06999	25.1
142.07759	5.1
143.08586	17.7
144.09392	1.7
145.06494	10.8
145.10135	8.8
146.07253	4.0
147.04384	3.0
147.08009	6.2
149.06067	1.9
152.06189	4.6
152.58589	1.4
153.07008	17.9
154.07785	33.1
155.06094	1.2
155.08585	21.2
156.09332	3.6
157.06476	7.0
157.10120	2.4
158.07272	5.2
159.08064	8.0
159.11697	5.5
161.05931	3.3
161.09590	1.5
163.03944	1.3
165.05551	2.1
165.06984	5.9
166.07762	5.1
167.08604	7.3
168.05777	1.8
169.06487	5.0
169.10139	36.5
170.07222	1.4
171.08084	16.1
171.11690	2.6
172.08836	3.4
173.06010	3.6
173.09615	10.8
178.07788	5.4
179.08582	13.3
181.06500	5.1
181.10118	3.9
182.07286	16.4
183.08057	10.7
184.05298	1.4
184.08836	1.8
185.06012	3.1
185.09650	3.2
187.07561	2.1
187.11221	9.5
189.09251	2.6
197.09644	55.4
198.10315	2.3
199.07555	5.5
199.11214	5.9
200.08411	2.9
201.09113	13.9
213.09174	3.1
215.07291	1.6
215.10693	27.3
225.09125	22.6
243.10190	100.0
244.10522	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1017
Annotation	Viteralone
Peak:m/z	Relative Intensity
52.81937	1.3
55.01861	6.0
55.84580	1.2
55.85136	1.5
64.20304	1.3
65.03926	2.2
67.01856	3.0
67.05489	3.0
69.03419	2.8
70.57835	4.5
79.05489	7.7
81.03413	1.9
81.07059	2.7
83.05038	1.7
91.05491	10.4
93.07024	4.1
95.04977	2.1
103.05437	1.6
105.07037	11.3
107.04948	5.6
115.05436	8.8
116.06318	1.5
117.06997	7.6
119.04961	3.3
119.08650	1.7
121.02763	1.3
121.06507	3.7
123.04434	3.2
128.06206	22.7
129.07022	24.4
130.07796	3.3
131.04938	2.9
131.08554	8.5
133.06506	6.6
135.04446	10.1
141.05984	2.3
141.06998	28.5
142.07800	6.1
143.08585	16.0
145.06488	8.2
145.10152	10.0
147.04410	2.4
147.08066	2.8
149.05983	3.7
152.06256	3.0
153.06995	14.3
154.07784	31.8
155.06033	2.3
155.08562	22.9
156.09309	4.9
157.06523	15.5
157.10153	3.2
158.07266	5.0
159.04462	4.6
159.08105	6.6
159.11720	4.6
161.05972	2.1
163.03906	3.0
165.07028	7.4
166.07790	6.3
167.08568	7.6
168.05736	2.8
169.06487	5.1
169.10136	44.2
171.08078	9.6
171.11641	3.7
172.08830	4.2
173.06004	7.2
173.09656	13.4
178.07803	3.6
179.08542	12.1
181.06442	4.7
181.10133	3.7
182.07225	11.0
183.08043	12.6
183.95393	1.4
184.08791	3.5
185.05981	46.9
187.07628	2.9
187.11203	10.3
197.09633	55.3
198.10181	2.6
199.07556	4.0
199.11147	5.0
200.08371	2.9
201.05476	3.7
201.09111	18.2
215.07111	1.5
215.10677	31.7
225.09131	28.6
243.10182	100.0
244.10457	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	243.1017
Annotation	4,5-Bisphenol-o-quinone
Peak:m/z	Relative Intensity
53.03942	3.5
55.01873	5.8
55.05507	1.5
57.03416	1.4
65.03932	3.6
67.01871	2.0
67.05517	6.8
69.03430	5.4
70.09760	5.6
77.03903	1.9
79.05491	13.5
81.03418	2.8
81.07048	2.4
83.04983	1.4
85.02901	2.6
91.05482	24.5
91.28166	1.1
93.07045	6.8
95.04969	11.1
95.08604	3.3
97.02882	2.1
103.05464	3.2
105.03376	1.7
105.04511	1.5
105.07035	23.6
107.04967	7.9
107.08572	1.9
107.83052	1.1
109.02921	1.9
109.06554	1.1
110.05397	1.3
115.05456	11.5
116.06288	1.6
116.46040	1.2
117.07013	12.4
119.04929	4.1
119.08601	5.6
121.06508	23.2
123.04442	1.3
128.06230	19.5
129.07014	22.5
130.07851	5.7
131.04930	3.9
131.08583	12.3
133.06476	5.1
133.10120	3.0
135.04433	5.4
141.07001	28.9
142.07813	6.6
143.08586	20.4
144.05658	2.0
144.09348	2.4
145.06508	11.3
145.10144	9.8
146.07262	2.1
147.04420	2.0
147.08025	6.5
149.05978	2.3
152.06197	3.5
153.07007	13.8
154.07782	34.2
155.06055	1.9
155.07391	2.2
155.08571	27.9
156.09314	4.7
157.06514	8.3
157.10133	4.9
158.07272	8.6
159.04388	1.8
159.08081	8.0
159.11702	5.3
161.06056	3.3
161.09637	1.3
165.05775	1.4
165.06929	6.9
166.07813	4.1
167.08568	8.4
168.09369	2.0
169.06459	5.0
169.10138	42.7
170.07272	1.3
170.10487	1.1
171.08063	17.5
171.11681	3.5
172.08806	4.8
173.06033	5.5
173.09630	14.1
177.66702	1.2
178.07819	5.9
179.08591	15.4
181.06491	6.7
181.10037	3.0
182.07280	14.2
183.08055	12.4
183.11659	2.8
184.08766	2.3
185.05986	5.8
185.09641	2.5
187.03941	1.3
187.07561	3.4
187.11165	9.2
195.07977	1.6
197.09630	63.1
198.10165	2.2
199.07570	4.2
199.11235	6.1
200.08270	1.9
201.05479	1.8
201.09111	14.0
213.09119	4.8
215.07240	1.2
215.10669	24.7
225.09135	23.2
225.16466	3.4
243.10182	100.0
243.13683	6.1
243.17444	9.9
244.10486	2.8
252.32330	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1018
Annotation	4,5-Bisphenol-o-quinone
Peak:m/z	Relative Intensity
51.29297	0.7
53.03931	2.5
55.01883	5.0
55.05504	2.0
56.20760	0.7
57.03433	1.2
65.03927	2.2
67.01861	1.0
67.05494	3.3
69.03423	3.2
69.07056	2.4
69.72495	4.3
71.04998	0.6
79.05492	7.4
81.03420	1.7
81.07058	3.9
83.04962	1.4
85.02940	0.7
91.05480	12.2
91.25027	0.8
93.07045	5.0
95.04977	4.3
95.08609	1.2
97.06537	1.5
99.04380	0.9
103.05478	4.3
105.03389	1.4
105.07040	13.1
107.04951	5.4
107.08605	0.8
109.02906	1.1
109.06506	1.0
115.05456	9.8
116.06228	1.5
117.07020	10.9
119.04925	2.8
119.08592	3.8
121.02880	1.1
121.06506	3.9
123.04443	3.8
128.05289	1.4
128.06229	20.5
129.07014	22.6
130.07822	3.7
131.04915	3.8
131.08569	10.4
133.06483	5.3
133.10112	1.4
135.04424	3.1
141.06990	27.7
142.07825	5.5
143.08571	15.1
144.05717	2.2
144.09377	1.5
145.06470	11.0
145.10120	12.3
147.04417	2.6
147.08037	2.2
149.05997	1.9
152.06206	3.4
153.06993	14.3
154.07785	31.3
155.06046	2.2
155.08569	22.5
156.09392	5.5
157.06505	13.4
157.10147	3.3
158.07271	7.5
159.04420	5.5
159.08089	7.5
159.11717	5.4
161.05986	3.0
163.03925	1.2
165.06987	7.3
166.07803	6.0
167.08580	7.3
168.05750	0.9
168.09305	1.2
169.06444	6.3
169.10135	46.6
170.07219	1.0
170.10539	1.3
171.08046	10.8
171.11700	4.0
172.08884	3.8
173.02361	0.8
173.06042	5.6
173.08127	0.9
173.09622	17.8
175.07503	1.3
178.07758	3.8
179.08580	12.0
180.09221	1.0
181.06474	5.1
181.10144	2.9
182.07268	12.8
183.08058	11.3
183.11826	1.2
184.08820	2.8
185.05986	25.9
185.09628	2.3
186.06639	1.4
186.10248	0.9
187.03925	1.5
187.05885	0.7
187.07584	3.1
187.11208	12.4
187.14832	0.8
189.09091	1.5
197.09630	55.6
198.10201	1.6
199.07555	5.7
199.09404	1.2
199.11185	10.2
200.08304	2.5
201.05434	4.4
201.09111	18.0
202.09590	0.8
207.08073	1.4
210.06976	1.4
213.09129	2.8
214.09993	1.3
215.07173	2.1
215.10678	38.6
215.14255	2.2
225.09128	26.6
225.16353	0.7
228.07745	0.9
243.10191	100.0
243.13759	14.6
243.21146	1.2
244.10440	3.0
261.11414	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1018
Annotation	Fenoprofen
Peak:m/z	Relative Intensity
53.03944	1.3
55.01854	2.1
55.05502	1.4
65.03930	1.4
65.68589	0.9
67.05508	1.7
69.03434	2.5
70.12522	3.4
70.29394	0.9
79.05491	5.0
81.07040	1.1
83.04942	1.3
91.05484	6.6
93.07066	1.1
95.04961	2.9
103.05495	1.9
105.07030	9.6
107.04942	3.2
107.08613	1.2
109.06523	1.4
115.05450	5.1
117.06985	7.4
119.04943	3.3
119.08576	3.0
121.06512	2.9
123.04405	2.1
128.06236	9.8
129.07024	13.3
130.07777	2.6
131.04945	1.9
131.08665	4.6
133.06497	2.8
135.04440	1.4
141.06996	19.3
142.07761	3.9
143.08591	10.3
144.09361	1.8
145.06506	7.4
145.10159	6.3
147.08046	2.4
149.05986	1.9
151.03964	1.0
152.06186	2.3
153.06982	12.6
154.07790	39.8
155.08565	9.5
156.09366	5.4
157.06467	4.3
157.10149	3.3
158.07301	8.9
159.08057	7.2
159.11685	7.7
160.08868	1.1
161.06020	4.1
161.09608	1.1
165.07027	7.1
166.07826	2.5
167.08585	6.7
168.09462	1.1
169.06496	3.4
169.10138	62.1
170.10507	1.1
171.08025	7.0
171.11699	3.5
172.08847	4.2
173.06044	3.2
173.09624	12.4
175.03926	1.6
178.07721	2.7
179.08554	14.2
181.06471	9.9
181.10146	3.4
181.77394	1.1
182.07291	30.6
182.10759	1.1
183.08003	3.7
183.11671	1.0
184.08856	3.6
185.06033	3.8
186.10323	1.1
187.07593	2.8
187.11198	12.6
188.55182	0.9
189.09071	1.6
196.08904	1.5
197.09633	100.0
198.10159	3.3
199.07588	2.8
199.11176	7.0
200.08379	3.1
201.05458	4.2
201.09067	6.9
210.06749	1.9
210.29312	1.0
213.09128	1.7
214.06253	1.1
214.09885	1.9
215.07259	1.8
215.10693	22.5
215.14313	3.9
225.09134	17.4
228.07751	1.5
228.11409	1.0
243.10181	92.4
243.13855	23.4
244.10585	2.6
244.14156	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1017
Annotation	4,5-Bisphenol-o-quinone
Peak:m/z	Relative Intensity
53.03934	2.4
54.23460	1.3
55.01863	5.1
56.14796	1.3
57.03431	2.0
60.02616	1.1
65.03942	2.7
67.01840	1.6
67.05495	5.3
69.03444	6.0
74.25741	1.2
79.05501	7.6
81.03420	3.0
81.07056	1.4
82.16762	1.1
91.05485	16.8
93.07037	3.2
95.04964	9.0
100.11314	1.3
103.05486	3.0
105.07042	14.9
107.04936	4.7
107.08630	1.8
109.02843	1.6
109.06499	2.2
115.05460	8.8
117.07018	11.9
119.04938	4.1
119.08575	3.5
121.06512	14.2
123.04421	2.3
128.06224	20.1
129.07014	22.3
130.07767	4.4
131.04938	2.3
131.08586	9.5
133.06485	3.5
135.04448	5.1
141.06982	24.7
142.07788	6.2
142.15852	1.8
143.08559	18.0
143.16299	2.5
144.05730	2.7
144.09386	1.4
145.06480	12.9
145.10123	9.4
146.07222	1.3
147.04410	2.2
147.08054	3.7
149.05942	2.2
152.06223	4.5
153.07018	15.1
154.07779	31.2
155.04938	1.4
155.06085	2.4
155.08577	25.5
156.09352	4.8
157.06509	5.8
157.10156	4.2
158.07281	7.2
159.08092	8.7
159.11700	5.5
161.05989	3.6
161.09634	1.4
163.03842	1.7
165.07043	8.5
166.07779	4.4
167.08586	7.3
168.05721	2.2
168.09372	2.1
169.06532	3.3
169.10144	34.1
170.07303	1.3
171.08080	14.7
171.11679	2.6
172.08836	5.4
173.06009	13.0
173.09637	20.3
178.07787	5.1
179.08582	13.0
181.06485	5.0
181.10083	2.0
182.07262	17.6
183.08073	10.7
183.11674	1.4
184.08896	3.4
185.05989	8.0
185.09589	3.0
186.10432	1.8
187.07547	2.9
187.11212	10.5
189.09195	2.3
193.81140	1.5
195.08087	1.4
197.09641	59.3
198.10176	2.5
199.07626	6.7
199.11151	7.9
200.08331	1.3
201.05443	1.9
201.09109	18.1
210.06766	2.5
211.07547	2.6
213.05644	1.5
213.09097	4.1
214.09950	1.9
215.07335	1.3
215.10725	27.1
215.14279	2.9
225.09132	24.4
228.07884	1.7
242.28532	1.8
243.10196	100.0
243.13792	17.7
243.28789	8.1
244.10382	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2164
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
53.03946	4.2
55.01860	7.3
55.05519	26.4
57.03424	4.2
57.07074	16.5
65.74553	3.5
67.05508	40.3
69.03456	4.2
69.07075	59.2
71.04997	22.9
71.08628	7.2
71.39407	6.9
73.60375	4.4
79.05505	19.6
81.07067	65.0
83.01337	4.8
83.04966	4.1
83.08627	41.4
85.06548	67.2
85.10179	5.0
88.07601	7.7
91.05483	53.6
92.05820	27.8
93.07041	61.6
95.04979	7.8
95.08614	92.4
97.06548	6.1
97.10194	24.3
99.08096	15.5
103.05463	4.5
105.07033	18.5
107.05004	4.2
107.08599	100.0
109.10164	71.8
111.08077	13.9
111.11794	4.3
113.09676	5.3
115.05493	5.1
117.07040	7.4
119.04993	6.2
119.08582	12.0
121.09335	6.4
121.10165	94.4
123.11726	73.9
125.09600	5.8
128.06262	21.4
129.07028	32.9
131.08604	20.8
133.10179	6.9
135.11708	47.2
137.13272	23.6
139.11145	5.5
141.07047	18.7
142.07777	37.2
143.08557	27.4
145.06497	8.3
145.10144	11.9
147.08087	4.2
147.11749	11.2
149.13275	64.4
151.14882	5.0
152.06230	21.4
153.07031	10.7
153.12836	5.3
154.07751	11.9
155.08496	8.1
157.06490	8.1
157.10144	28.7
159.08072	11.5
159.11728	17.6
161.06027	5.2
163.14856	25.7
165.07022	12.4
165.16429	9.0
166.07730	7.9
167.08591	40.5
167.14307	36.9
169.06410	7.0
169.10143	7.2
170.07306	10.7
171.08069	14.3
171.11708	30.3
177.16405	9.7
179.17960	9.4
181.15846	7.9
182.10551	7.3
185.09621	34.5
185.13298	17.4
188.00864	4.2
195.08063	34.8
195.11723	4.3
197.09645	5.4
198.06807	10.3
199.07553	16.4
199.11180	5.9
199.14822	11.2
200.15686	4.4
205.19505	65.2
213.09149	44.1
213.12608	4.7
213.16302	5.1
223.07597	13.0
223.14922	4.2
223.20607	77.2
241.08620	77.9
241.12196	32.2
241.15938	11.4
241.19501	55.7
241.21683	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	242.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01872	4.8
55.05509	7.9
56.05037	3.4
56.96568	47.6
57.03439	8.9
57.07085	25.0
58.06604	5.2
61.02922	8.5
62.66495	2.3
67.05515	24.2
69.03437	15.4
69.45350	13.9
70.06588	8.1
71.04994	4.4
71.95294	3.5
72.08148	4.1
72.93793	3.0
73.02910	13.3
73.06568	2.5
79.05498	3.9
80.05019	9.5
81.03411	7.5
81.07083	2.9
83.06116	8.9
84.04506	6.2
84.08151	9.2
84.96032	8.3
85.02918	18.7
85.06544	10.4
86.09716	3.9
87.04453	3.6
90.94860	2.5
91.05482	2.9
92.96140	2.8
94.06636	2.3
95.04984	5.1
95.08662	2.6
97.02335	3.4
97.02887	18.3
98.06071	8.4
98.97598	100.0
101.00887	21.9
105.06975	2.8
109.02871	2.7
110.01279	2.6
110.97575	14.3
112.07631	13.7
112.99194	3.5
115.00636	3.1
115.02473	5.2
116.98646	29.0
117.02144	2.3
119.01931	52.2
120.02069	5.1
121.01704	4.4
122.03099	2.2
124.56133	2.1
124.99138	2.8
127.03941	5.8
128.02328	6.7
128.98615	13.2
129.10257	3.5
130.08659	6.4
131.00197	4.2
131.01895	13.4
132.01981	3.6
133.01668	5.4
133.03456	11.1
134.99698	6.7
135.08049	2.5
137.02963	9.0
137.06010	3.5
140.02339	2.8
140.05611	11.8
140.98630	3.3
141.02243	3.5
141.99530	4.4
143.00171	6.4
143.01923	8.6
145.03474	2.6
146.99693	4.8
147.03249	6.0
147.04330	4.8
152.04147	19.5
152.54196	2.5
155.04678	29.8
156.03362	12.6
157.03497	3.5
158.06639	81.3
158.99689	37.9
159.03322	6.5
160.00494	2.5
160.06488	6.8
161.01295	4.7
161.02972	20.2
161.04686	56.7
161.54877	2.5
164.05232	7.1
166.55403	3.0
170.03410	2.4
170.06648	27.2
170.99673	7.7
173.01225	3.8
173.03021	3.2
174.04413	8.8
175.04550	3.4
176.07703	36.1
177.00768	26.4
177.04178	4.2
177.05951	2.5
182.03366	3.3
184.04559	2.3
184.08281	4.4
185.01378	4.7
186.04395	10.1
188.07713	89.1
189.00725	5.1
189.07753	2.8
190.07698	2.4
191.04021	6.8
194.06670	3.0
196.08231	14.0
196.09689	2.5
198.02902	4.9
200.02209	10.1
200.04237	4.8
200.07628	2.8
201.00737	6.0
201.02460	31.4
201.04269	4.0
202.09258	13.1
204.05447	5.5
207.01836	3.3
210.04739	6.0
212.05943	2.6
212.07750	28.4
212.11357	2.0
213.00832	4.5
214.06023	2.5
214.09265	41.4
214.11307	2.9
218.94456	4.8
219.01808	30.7
219.03589	21.8
220.02449	2.3
221.05107	2.5
224.07648	3.6
230.08827	4.2
230.12393	2.7
231.01701	3.9
233.06891	3.4
237.02733	23.3
241.95944	4.3
242.06970	2.9
242.08765	4.2
242.12263	3.4
242.16055	17.2
242.18420	3.8
243.03610	2.5
249.02614	2.9
255.03951	6.3
260.10080	2.7
261.02744	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	241.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.05513	9.5
57.07070	2.1
64.94347	1.0
65.03929	1.6
67.05519	6.7
69.03417	1.9
69.07079	14.1
70.42812	2.6
79.05489	5.9
81.07062	8.6
83.08638	7.0
88.86069	0.9
91.05483	10.5
93.07058	11.1
95.04980	1.7
95.08619	11.3
97.10181	1.5
101.37472	1.1
103.45582	1.0
105.07050	15.2
107.08598	13.1
109.06511	1.2
109.10161	6.3
115.05452	1.7
117.07018	3.2
119.07798	1.9
119.08585	21.4
120.05832	1.0
120.08848	1.0
121.10159	19.0
123.08067	1.8
128.06229	4.1
129.07010	6.3
131.04942	1.2
131.08588	6.0
133.10139	23.1
135.11719	5.7
137.09718	1.1
139.07570	1.8
141.06987	7.0
142.07791	13.0
143.08574	17.4
144.09288	1.6
145.10172	7.6
147.11702	14.3
149.13289	1.3
152.06226	3.5
153.06958	2.9
154.07767	1.4
155.08556	4.5
156.09335	10.6
157.06450	1.8
157.10143	32.5
158.10968	1.2
159.11745	9.1
161.13261	3.7
163.11229	1.3
165.07011	2.7
166.07805	1.3
167.08572	9.3
168.09262	1.2
169.06465	1.3
169.10149	5.3
170.07187	1.7
170.10941	9.5
171.08101	1.6
171.11696	29.8
172.12361	1.6
173.02406	1.5
173.13263	8.6
179.41837	1.0
181.06471	1.8
181.10155	1.5
182.10912	1.6
183.11676	7.3
184.05193	1.7
184.12402	3.4
185.05986	1.6
185.09720	6.3
185.13260	31.1
186.13800	1.1
187.14801	1.4
195.08034	8.0
197.06001	1.8
197.09552	1.5
197.13167	7.3
198.14085	3.2
199.03899	1.3
199.07605	3.0
199.11139	1.3
199.14839	15.3
211.14738	3.8
212.08160	1.3
212.15594	2.5
213.09116	5.2
213.16406	3.0
223.07561	2.5
226.06306	1.3
226.17191	2.3
241.08615	20.5
241.12320	5.3
241.19531	100.0
242.19771	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	241.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05443	0.3
55.05507	0.5
56.05041	0.3
56.96566	2.6
57.03421	0.4
58.06601	20.1
58.99860	0.3
67.05481	0.5
69.03420	0.4
69.07053	0.4
70.06594	7.4
70.11816	0.9
70.99902	0.2
71.95261	0.5
72.08144	0.6
73.02890	0.5
77.00903	0.3
80.05009	0.5
81.03409	0.9
81.95628	0.3
84.08142	10.6
85.02893	0.8
85.06557	0.3
86.09718	0.3
97.02863	0.7
98.06072	0.4
98.09695	1.8
98.21461	0.3
98.97588	16.3
100.11217	0.3
101.00262	0.4
101.00877	2.9
102.00985	0.3
103.00613	0.4
112.07613	1.7
113.00876	1.7
114.05511	0.4
114.09232	0.3
115.02426	0.7
116.07089	0.3
116.10655	0.4
116.98631	6.6
119.01929	4.7
120.01978	0.3
123.08066	0.5
124.11182	0.3
126.05508	0.4
126.09192	0.4
128.10715	3.8
129.10306	0.3
130.04939	0.4
131.01904	5.5
132.02017	0.3
133.01674	0.3
133.03517	1.2
133.77943	0.2
134.99667	1.9
136.06174	0.7
137.02939	0.7
137.06567	0.6
139.02342	0.3
140.07091	0.3
140.10524	0.3
143.01880	0.8
144.10214	1.3
144.99794	0.4
145.03441	1.0
149.02992	1.2
152.06990	0.3
152.10699	0.3
155.01917	0.6
155.05524	0.3
157.03494	0.6
158.06693	0.4
158.08058	0.4
158.99693	0.3
159.01357	0.4
159.05077	0.4
160.04472	0.3
160.06625	0.3
161.02960	1.0
161.06494	0.3
164.83864	0.2
168.10187	1.3
171.04926	0.3
173.02968	1.0
173.06577	0.7
177.01027	0.4
177.02454	1.4
183.01489	0.3
185.02957	1.0
185.06714	0.3
187.04488	0.4
191.07698	0.3
195.04944	0.3
196.09694	5.9
197.06572	0.3
199.00537	0.3
199.04530	0.4
200.07687	0.7
201.00833	0.4
201.02454	1.8
203.04083	0.5
213.02394	1.6
213.06123	0.5
213.15973	0.4
215.04080	0.3
215.07503	0.3
217.01941	0.3
217.05598	0.3
218.08769	0.5
219.01709	0.4
219.03532	1.5
221.04884	0.3
231.03432	0.6
240.99002	0.4
241.01685	1.5
241.11461	2.7
241.15469	100.0
242.15846	2.3
257.75385	0.3
258.99756	4.1
259.02652	1.4
259.10291	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07525	0.8
55.01886	1.1
55.05513	7.4
56.59873	0.8
56.76093	0.9
57.07089	4.4
64.87996	0.9
67.05508	5.2
69.07067	8.6
70.22166	3.3
79.05479	3.0
81.07058	13.4
83.01311	2.1
83.08625	4.2
85.10149	1.4
91.05492	5.9
93.07059	5.1
95.04937	1.3
95.08614	9.8
97.10168	3.3
97.87750	0.7
105.07037	24.5
107.08575	3.6
109.10171	5.8
111.11715	2.2
111.28154	0.9
115.05432	2.1
117.07024	6.6
117.31567	0.9
119.08584	14.4
121.10146	1.1
123.11695	4.6
128.06242	8.3
129.07018	21.4
130.07793	2.4
131.08575	39.7
132.08910	1.2
133.10149	4.9
135.11644	2.3
141.06993	6.4
142.07788	17.3
143.08571	38.4
145.06523	1.7
145.10138	22.7
147.11699	4.5
149.13274	1.7
152.06219	3.0
153.06952	2.2
154.07790	2.1
155.08578	2.7
156.09346	7.5
157.10141	58.1
158.10756	0.9
159.08145	1.2
159.11702	20.4
159.13028	1.1
161.13248	2.5
165.07007	1.6
166.07809	0.9
167.07396	1.0
167.08615	7.5
169.10133	3.3
170.07318	1.7
170.10931	2.1
171.08064	1.7
171.11702	53.4
173.13274	9.5
179.08653	1.2
182.07251	1.0
183.11682	2.8
185.09706	5.9
185.13274	40.8
195.08015	6.0
195.11624	1.1
197.13297	3.0
198.06776	1.9
198.10251	0.8
198.13980	2.1
199.07480	2.4
199.11028	1.1
199.14841	21.5
211.14983	1.2
213.09109	7.0
213.12704	1.4
213.16348	3.0
223.07533	2.2
226.17198	1.2
241.08640	11.0
241.12352	4.6
241.16086	4.0
241.19522	100.0
242.19867	2.3
242.28432	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	10.3
55.91044	1.6
57.03425	1.9
57.07076	2.0
58.82566	1.9
63.29719	1.8
66.79369	1.7
67.05511	11.2
69.03430	13.1
69.07054	6.8
70.06581	2.2
71.04996	2.5
74.81037	1.7
79.05495	10.2
81.07054	11.0
82.06596	3.0
83.04977	3.2
85.02911	3.5
91.05466	9.5
93.07037	23.8
93.69017	1.9
95.04983	4.7
95.08617	17.3
97.06518	2.7
99.04417	2.4
105.07022	8.0
107.04929	2.4
107.08599	51.1
109.06516	6.2
109.10151	14.2
111.08101	3.4
113.06027	2.6
117.06998	4.2
119.08576	31.1
121.06493	22.4
121.10154	18.2
122.07295	7.6
123.08083	23.8
133.10155	9.1
135.08058	52.8
135.11688	49.1
137.09625	87.2
138.09921	2.1
144.09305	2.7
149.05995	1.9
149.13269	42.6
153.12854	2.1
159.11700	21.5
160.51797	1.8
163.07578	2.4
163.11151	3.2
170.07036	2.4
175.11148	2.0
177.12750	100.0
178.13109	2.4
181.08565	9.5
183.10153	3.2
195.13684	17.3
197.17331	7.3
205.12247	12.9
223.13329	29.3
226.09843	2.3
241.08678	6.1
241.12282	3.1
241.15492	2.5
241.19980	4.1
256.71964	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	241.1435
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
50.59557	1.9
55.05501	9.3
57.07065	2.7
62.89123	1.9
67.05511	10.9
69.03435	10.8
69.07068	5.7
70.83177	5.2
71.04967	4.1
79.05481	5.2
81.07045	12.0
83.04968	3.7
89.85223	1.7
91.05472	7.4
93.07045	26.0
95.04960	3.1
95.08632	13.6
97.06530	1.9
105.07030	7.5
107.08606	51.7
109.06522	6.0
109.10171	13.4
111.04443	2.9
119.06080	1.9
119.08591	26.4
121.06506	17.8
121.10162	15.0
122.07308	5.8
123.08080	20.8
125.09599	2.7
131.08604	3.2
133.10118	8.9
135.08061	47.7
135.11702	41.2
136.08449	2.0
137.09625	77.9
139.07542	4.1
141.09103	1.8
147.08047	2.4
149.13255	36.8
159.11702	16.3
163.07607	2.5
163.11255	2.5
174.52750	1.9
177.12755	100.0
181.08630	6.4
195.13808	16.3
197.17271	2.4
205.12271	8.7
223.13281	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	241.086
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
53.03942	1.9
55.01886	4.5
55.05504	3.3
65.03929	2.0
67.05516	1.5
69.03415	2.3
69.07068	1.2
70.40156	2.9
70.57482	0.8
79.05486	7.2
80.06301	1.0
81.03403	1.2
81.07075	4.0
83.01358	4.1
83.04991	1.0
83.08624	1.1
91.05484	7.0
93.03418	1.0
93.07017	2.4
95.04982	4.5
95.08610	2.2
97.10213	1.8
99.76185	0.8
103.05457	1.4
105.03375	1.1
105.07030	2.9
107.08570	1.1
109.10169	1.4
115.05468	7.3
117.07007	4.1
119.04948	3.4
119.08575	2.7
121.06560	1.4
121.10146	1.7
128.06233	17.3
129.07021	19.5
131.04926	1.8
131.08578	5.1
133.02878	3.2
133.10155	1.8
135.04427	1.0
141.06999	19.4
142.07791	28.7
143.04970	1.7
143.08577	12.0
144.05721	2.0
145.06546	5.0
145.10143	5.9
152.06223	22.3
153.07030	9.0
154.07790	9.3
155.04953	1.2
155.06102	1.5
155.08565	4.7
156.09370	1.6
157.06526	5.4
157.10130	18.3
159.04459	3.7
159.08055	6.0
159.11642	1.5
163.03911	1.7
165.07008	11.8
165.63383	0.8
166.07829	5.4
167.08585	37.2
168.09270	1.2
169.06474	7.6
169.07651	0.9
169.10117	6.9
170.07297	9.8
171.04395	2.6
171.08080	12.0
171.11682	5.8
173.02333	1.5
173.09653	1.2
177.07018	2.2
178.07811	1.2
179.08517	3.0
181.06512	3.6
182.07274	2.4
183.08049	2.3
184.05179	1.4
185.06026	3.6
185.09633	36.0
185.13176	4.0
187.03883	1.1
187.07562	3.4
195.08075	36.1
196.08812	1.8
197.06013	7.0
197.09625	5.5
198.06783	8.9
198.13536	0.9
199.03932	2.5
199.07567	8.4
199.14897	1.4
211.07666	1.2
212.08493	0.9
213.05734	2.1
213.09129	51.8
214.09549	1.1
223.07545	10.8
226.06236	3.6
241.08623	100.0
241.12463	3.1
241.15714	2.1
241.19556	7.5
242.08925	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	241.1435
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
52.13345	1.5
55.05503	9.4
59.50881	1.7
65.03947	1.9
67.05518	8.8
69.03427	9.3
69.07060	5.8
69.56651	7.5
69.57059	4.3
71.04997	3.6
75.47302	1.8
79.05475	6.9
80.66202	2.1
81.07047	12.5
83.05000	2.5
91.05492	8.6
93.07045	24.0
95.04958	5.1
95.08607	14.6
98.97601	2.7
105.07026	6.4
107.04981	2.1
107.08603	52.9
109.06530	4.0
109.10164	13.3
111.08089	3.3
113.06082	2.2
117.06985	2.3
119.06218	2.0
119.08579	22.0
121.06511	17.8
121.10146	15.9
122.07255	4.9
123.08081	24.3
131.08566	3.1
132.32246	1.6
133.10098	8.1
135.08070	52.1
135.10716	2.4
135.11707	47.2
137.09625	76.5
144.09296	2.9
149.13280	36.2
153.08954	1.8
159.11697	19.8
163.11201	4.0
177.12762	100.0
181.08624	6.1
191.66951	1.7
195.13829	17.6
205.12196	8.3
217.65572	2.0
223.13298	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	241.0861
Annotation	Malaphylidin
Peak:m/z	Relative Intensity
51.17034	0.5
52.49546	0.5
55.01876	7.7
56.60917	0.6
62.01602	0.7
65.03938	2.5
67.01852	2.0
67.05498	1.6
68.99800	0.7
69.03411	1.7
69.07057	0.6
69.78164	2.2
69.78576	1.4
74.65978	0.6
77.03948	0.7
79.05499	3.0
81.03417	1.4
83.01349	14.1
91.05481	9.0
93.03385	1.6
93.07048	1.8
93.81055	0.6
95.04982	3.2
98.20816	0.7
99.00787	1.1
103.05483	2.2
105.03382	1.5
105.07044	3.7
107.04966	1.9
107.08569	0.8
109.02861	0.6
109.06563	0.7
111.00800	2.8
115.05450	9.0
116.06252	1.0
117.07008	5.8
119.01276	1.2
119.04948	6.8
119.08553	1.1
121.02867	1.3
121.06470	1.5
121.10133	0.9
127.05476	0.8
128.06227	20.3
129.07024	25.4
130.07777	1.8
131.04919	2.7
131.08582	8.6
132.54695	0.7
138.78244	0.7
141.06996	22.9
142.07788	41.6
143.04892	1.5
143.08571	19.8
144.05672	1.3
144.09001	0.7
145.06479	6.8
145.10133	3.6
147.04402	2.1
147.08041	0.8
149.02284	0.9
149.09654	0.7
152.06218	32.3
153.07002	12.4
154.07790	12.7
155.04915	2.0
155.05956	1.2
155.08545	5.2
156.05699	1.0
157.06509	7.0
157.10139	21.1
159.04471	3.3
159.08069	7.2
165.07024	15.4
166.07780	5.3
167.08578	44.7
168.05713	1.3
168.09259	1.9
169.06485	8.6
169.07790	0.8
169.10141	10.6
170.07259	11.6
171.04471	4.9
171.08066	14.3
173.05948	1.8
173.09662	1.5
177.07051	1.3
178.07806	2.8
179.06064	1.2
179.08582	4.5
181.06456	5.0
181.10080	1.3
182.07339	4.3
183.04352	1.0
183.08049	3.5
185.06163	3.4
185.09625	46.1
186.10043	1.1
187.03970	1.5
187.07521	6.4
193.06337	0.8
195.08060	44.7
196.08780	2.5
197.05988	6.4
197.09630	8.1
198.06747	11.7
199.03925	1.4
199.07555	12.4
211.07495	1.5
212.08238	0.7
213.09116	65.9
214.09474	2.0
223.07553	19.7
226.06226	2.4
231.10153	0.9
241.08597	100.0
242.08842	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.086
Annotation	Malaphylidin
Peak:m/z	Relative Intensity
52.95582	0.5
53.03947	1.3
53.15840	0.6
55.01877	5.5
58.92057	0.6
60.92680	0.6
65.03940	3.0
67.01855	2.7
67.05476	1.1
69.03423	2.5
69.07042	0.8
69.67287	3.7
72.08910	0.6
74.16959	0.6
77.03952	0.6
79.05485	2.8
82.38072	0.6
83.01343	5.2
91.05477	6.1
93.03362	1.1
93.07052	1.8
95.04973	4.8
97.02850	0.8
103.05469	2.5
105.03392	1.0
105.07021	2.7
107.04943	1.7
109.02895	0.7
111.00796	0.9
115.05470	9.0
116.06239	1.4
117.07024	3.8
119.04943	4.8
121.02836	1.2
121.06514	0.7
127.05427	1.0
128.06233	21.8
129.07013	21.6
131.04945	2.5
131.08571	5.9
131.96687	0.6
132.05679	0.7
133.02861	0.7
135.04393	0.9
141.06999	23.8
142.07784	37.1
143.04935	1.5
143.08566	16.6
144.05693	2.5
145.06479	7.0
145.10091	1.2
147.04362	1.4
151.05482	0.7
152.06215	30.1
153.07011	14.7
154.07776	13.7
154.08942	1.2
155.04897	1.9
155.06064	2.0
155.08543	5.7
156.05630	1.5
157.06503	6.0
157.10129	18.1
159.04445	3.8
159.08078	7.5
165.07004	15.8
166.07758	5.7
167.08575	45.2
168.05658	0.9
168.09233	2.2
169.06479	9.1
169.07793	1.1
169.10129	9.2
170.07283	12.5
171.04398	2.4
171.08049	15.3
173.05980	2.4
173.09628	1.0
177.07027	1.2
178.07736	3.0
179.08527	3.6
181.06461	6.0
182.07294	4.0
183.04375	0.9
183.08112	3.1
184.05214	1.9
185.06064	4.1
185.09625	41.6
186.09941	1.1
187.07570	4.3
194.07227	0.6
195.08051	48.9
196.08766	2.7
197.05977	5.1
197.07948	1.0
197.09605	8.8
198.06781	10.7
199.04057	0.9
199.07538	13.4
211.07545	2.3
212.08284	1.4
213.09116	67.7
214.09512	0.9
223.07513	16.5
223.20656	0.7
224.08073	0.8
226.06277	2.4
241.08600	100.0
242.08899	2.2
259.09561	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.086
Annotation	Malaphylidin
Peak:m/z	Relative Intensity
53.03934	2.4
55.01877	7.2
55.57851	0.9
65.03931	4.1
67.01862	2.2
67.05490	4.3
68.99806	1.0
69.03421	2.4
69.07067	1.5
70.06592	3.2
72.56507	1.0
76.39298	0.9
77.03934	1.1
79.05510	8.7
81.03403	1.6
81.07040	2.8
83.01351	12.4
83.04969	1.4
89.03915	3.2
91.05479	7.8
93.07034	3.2
95.04986	6.4
95.08627	1.4
97.02966	1.1
97.06533	1.6
98.21395	1.8
101.20325	1.0
103.05461	2.4
105.03365	2.0
105.04499	1.3
105.07038	4.6
107.04955	2.5
107.08571	2.1
109.06525	2.4
109.10114	1.1
111.00777	1.8
115.05485	7.4
116.06227	1.1
117.07014	5.9
119.01248	1.9
119.04948	9.4
119.08582	1.3
121.02863	2.1
128.06239	16.7
129.06168	1.5
129.07019	20.3
130.07838	1.3
131.04922	1.7
131.08546	7.0
134.03702	2.0
135.04411	3.9
141.06993	22.0
141.60690	1.1
142.07787	37.4
143.04927	1.3
143.08575	19.9
144.05681	1.7
145.02858	2.1
145.06493	5.7
145.10135	4.5
147.04437	1.3
149.02325	1.0
152.06233	31.1
153.06992	10.8
154.07776	13.4
154.71562	1.1
155.04938	1.6
155.06062	1.3
155.08536	5.7
156.05728	2.0
156.09343	1.0
157.06517	8.0
157.10136	22.1
159.04448	3.7
159.08084	10.4
159.11761	1.1
163.03915	5.6
165.07018	14.6
166.07800	5.3
167.08578	44.8
168.09233	2.7
169.06490	9.6
169.10132	10.7
170.07289	12.0
171.04422	2.7
171.08075	14.9
171.11609	1.6
173.05922	1.5
173.09598	1.3
178.07698	2.4
179.07291	1.0
179.08578	6.9
181.06514	5.4
181.12132	1.5
182.07327	3.6
183.08067	3.5
184.05238	1.3
185.06047	2.3
185.09618	51.5
186.09874	1.8
187.04016	1.7
187.07538	6.3
195.08060	43.6
196.08740	2.2
197.05980	3.5
197.09624	8.1
198.06760	11.5
199.03825	1.2
199.07535	13.0
211.07608	2.7
212.08356	1.6
213.09113	65.0
223.07555	15.9
223.13150	1.3
226.06281	3.6
241.08607	100.0
241.12462	3.5
241.15706	2.2
241.19557	2.9
242.08963	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	239.2007
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.79851	4.0
55.05508	30.1
57.07059	14.6
57.29105	4.5
67.05514	33.3
69.03435	4.8
69.07073	32.7
70.25623	18.1
71.04977	19.3
72.95680	4.1
79.05488	15.4
79.88956	4.0
81.07058	59.1
83.08607	17.6
85.06548	38.3
87.12977	5.0
89.06016	5.8
91.05467	16.5
93.07040	41.8
95.04949	5.1
95.08613	100.0
97.06517	6.1
97.10165	6.5
99.04452	6.5
99.08070	9.5
105.07034	41.7
107.08608	80.6
109.10162	76.4
111.08086	15.5
119.08595	53.9
121.10155	92.9
123.11711	24.2
125.09637	7.6
133.10129	40.3
135.11711	34.9
137.13258	41.1
145.10077	5.6
147.11705	48.0
155.08543	9.8
157.10078	6.6
161.13300	22.5
163.14812	29.3
165.12708	17.6
168.09402	5.5
169.10144	10.2
175.14763	21.5
177.16397	20.0
181.15773	11.2
183.11740	11.0
197.13333	10.8
203.18001	35.7
209.09732	4.1
221.19031	72.2
239.08868	9.9
239.14394	8.9
239.17937	24.7
239.20091	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	240.9868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16374	0.2
55.01879	0.5
55.05495	0.6
55.83552	0.2
56.45557	0.2
56.96565	8.2
56.96848	0.4
57.03425	0.3
57.07077	0.4
58.06601	19.8
58.99862	0.3
61.02919	0.4
63.66352	0.2
67.05503	0.6
68.82724	0.3
69.03424	0.7
69.07077	0.6
69.89281	0.9
69.89696	0.5
70.06593	15.5
71.04988	0.6
71.95261	2.2
72.08147	0.6
73.02923	0.7
74.09719	0.3
77.00883	0.4
79.05515	0.6
80.05012	0.5
81.03410	1.1
81.07053	0.3
82.06595	0.3
82.99873	0.3
83.04996	0.4
84.04524	0.6
84.07635	0.5
84.08141	10.5
85.02899	0.9
85.06519	0.3
91.05479	0.5
93.07040	0.4
95.04976	0.4
95.08611	1.5
97.02902	0.8
97.06535	2.1
98.06062	0.7
98.09702	1.3
98.20744	0.3
98.97585	56.8
100.11281	0.4
101.00874	3.8
103.00646	0.4
103.02442	0.4
104.10704	1.3
105.07034	0.8
109.02888	0.3
109.81648	0.3
110.97502	0.3
112.07599	5.6
113.00865	1.6
114.05545	0.3
115.00698	0.3
115.02477	0.7
116.07092	0.7
116.98621	33.0
119.01925	7.9
120.02040	0.7
121.01668	0.6
123.08063	2.6
126.05511	0.4
127.02436	0.4
128.10712	3.7
128.98647	0.3
129.03905	0.3
130.04979	0.7
131.01901	4.2
132.02040	0.9
133.03520	1.3
134.99660	12.4
135.74364	0.4
136.06161	1.5
137.02995	1.5
137.06630	1.4
138.98291	0.3
140.00169	0.5
140.07033	1.6
140.95302	0.4
142.03552	0.4
143.01909	1.4
143.05569	0.3
144.10162	1.7
145.01678	0.5
145.03450	1.5
147.03223	0.3
149.02939	0.7
152.10753	0.3
153.00725	1.2
154.03554	0.3
155.01920	0.6
155.03603	0.6
157.01674	0.4
157.03465	1.9
158.01401	0.4
158.96365	0.3
158.99794	0.4
159.01265	0.4
160.04755	0.4
160.06564	0.6
161.02927	1.7
161.06644	0.5
163.02806	0.5
164.07190	0.4
164.95288	0.3
168.10262	0.9
171.01366	0.4
171.04980	0.4
172.04503	0.3
173.02994	1.1
173.06630	0.7
174.97639	0.6
175.04605	0.6
176.07690	0.6
177.00938	1.0
177.02477	0.7
177.06041	0.3
185.03020	1.4
185.06508	0.5
187.04485	0.4
189.02481	0.4
192.98849	0.4
195.05075	0.5
196.09689	5.9
197.06645	0.4
199.00607	0.8
199.02716	0.7
199.04497	0.7
199.08075	0.3
199.10863	0.4
200.07655	1.4
201.02415	0.9
203.04059	0.9
211.04625	0.3
213.02411	0.8
213.06052	0.8
213.16032	0.4
215.07802	0.4
216.98572	1.8
217.00389	0.3
217.02008	0.5
217.03775	0.5
218.01950	0.4
218.06816	0.6
218.08669	1.6
219.01897	1.0
219.03542	0.9
221.05116	0.6
223.04698	0.3
223.08170	0.7
227.04318	0.3
231.03500	0.4
234.99719	0.6
235.03082	0.3
236.98590	0.6
238.51251	0.3
239.05997	0.4
240.98663	1.6
241.01335	1.8
241.05623	0.8
241.09103	2.6
241.11913	6.2
241.15465	100.0
242.15697	0.4
258.99771	18.8
259.02594	2.2
259.10291	8.1
259.99973	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2007
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
50.41856	2.6
51.51570	2.2
53.21215	2.2
55.01868	3.0
55.05514	33.6
57.07076	22.2
59.05005	30.7
63.59121	2.5
67.05504	26.6
68.45264	2.4
69.03432	5.2
69.06726	4.4
69.07072	43.3
70.11616	10.5
71.04996	17.1
71.08640	4.4
73.06517	2.6
79.05492	12.2
80.97190	2.6
81.07059	88.1
83.04981	8.1
83.08623	20.0
83.75072	2.9
85.06540	10.4
87.22896	2.3
91.05491	12.8
93.07042	34.6
95.04974	7.4
95.08611	100.0
97.06529	14.8
97.10175	17.7
99.04497	3.6
99.08086	4.8
105.07037	22.7
107.08604	50.3
109.06533	8.5
109.10160	55.1
111.08091	9.6
111.11744	14.2
115.07626	3.9
119.08587	31.1
121.10153	34.0
123.08080	7.8
123.11713	36.1
125.09619	17.9
133.10135	35.9
135.11694	31.6
137.09621	11.8
137.13266	89.3
139.11180	21.4
143.08540	3.1
143.10695	10.3
145.10124	3.7
147.11700	28.4
149.13260	19.2
150.06746	3.3
151.11200	14.8
151.14865	3.7
153.12721	3.7
155.08611	3.7
157.12230	4.3
159.11711	2.7
161.09659	6.5
161.13266	11.7
163.14832	32.1
165.12743	7.3
169.10150	7.8
175.14847	7.1
177.16406	10.5
177.70729	2.3
179.10670	8.5
189.09125	3.3
193.19522	6.1
197.13322	4.2
203.17950	53.4
207.10295	3.2
221.15652	3.8
221.19012	55.0
227.81410	2.2
239.07021	5.6
239.08997	4.6
239.14372	5.2
239.17998	8.3
239.20078	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86114	0.6
55.05506	3.6
56.29049	0.5
57.07070	0.9
64.77037	0.6
67.05502	6.0
69.07062	2.0
70.12466	2.3
79.05505	3.6
81.07059	14.3
82.60522	0.6
82.90648	0.5
83.08614	0.9
91.05471	4.2
93.07043	4.6
95.08611	21.3
97.10165	0.8
105.07040	19.2
107.08602	2.8
109.10166	4.3
115.05480	0.8
115.42643	0.6
116.06185	0.6
117.06992	2.0
118.71016	0.5
119.08576	6.1
121.10134	2.6
128.06145	2.7
129.07002	4.4
131.08566	11.6
133.10135	3.3
135.11731	0.7
141.07018	5.9
142.07791	6.1
143.08566	19.9
145.10123	12.2
147.11711	2.0
153.07002	2.2
154.07799	4.2
155.07257	0.9
155.08565	31.2
156.09337	2.6
157.10133	25.1
159.11714	4.2
167.08556	2.6
168.09361	6.0
169.10138	33.5
170.10686	1.0
171.11685	9.8
173.27731	0.6
179.08446	0.6
181.10127	3.8
182.10916	4.2
183.11705	38.2
184.12300	1.4
185.13185	1.2
195.11705	3.3
196.12473	1.7
197.13269	27.4
198.13768	1.0
209.13261	1.7
210.14063	2.4
211.14807	5.8
224.15538	2.1
237.16357	0.7
239.17952	100.0
240.18333	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05512	32.2
57.07084	24.7
59.05002	30.5
67.05504	25.4
69.07072	47.5
69.39896	28.0
71.04996	7.8
71.08620	6.1
79.05494	10.4
81.07059	90.7
81.74001	2.7
83.04990	7.6
83.08617	24.5
85.06557	13.6
86.09699	9.9
88.75317	3.1
91.05488	7.3
93.07028	30.2
94.82217	3.4
95.08612	100.0
97.06519	14.4
97.10175	12.5
99.08099	9.4
104.07118	3.0
105.07053	18.5
107.08599	40.9
109.06541	4.4
109.10159	44.9
111.08095	9.8
111.11713	8.4
115.07565	5.0
119.08585	25.5
121.10130	30.8
123.07981	4.0
123.11708	34.5
125.09628	12.6
133.10147	28.2
135.11693	26.4
137.09610	4.8
137.13263	84.7
139.11194	21.0
143.10709	8.4
147.11720	26.0
149.13260	19.9
151.11188	10.5
151.14857	5.2
153.12737	12.5
157.10126	4.1
161.13280	10.3
163.14853	35.7
165.12769	4.2
169.10219	3.1
175.14780	5.8
177.16319	8.4
193.19551	7.3
197.13245	3.8
203.17949	58.0
206.54877	3.2
221.15457	4.1
221.19012	56.8
239.10690	4.7
239.17928	13.6
239.20100	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01883	1.0
55.05506	3.7
57.03444	1.5
57.07076	1.6
67.05518	7.6
69.03433	3.8
69.07069	3.9
69.67001	0.8
70.21626	2.5
70.22018	1.8
71.04995	4.1
79.05497	5.6
81.07071	7.6
83.04993	1.8
85.02931	1.3
85.06561	1.8
86.01089	0.9
91.05485	7.8
93.07063	5.3
95.04998	2.0
95.08613	6.6
97.06552	2.0
98.97588	1.6
103.05458	1.0
105.07041	15.5
107.04967	2.2
107.08601	14.1
109.06562	2.6
109.10158	10.5
111.04482	0.8
111.08082	1.7
115.05451	1.0
117.07019	2.0
119.08588	13.1
121.06516	13.2
121.10143	2.5
122.07297	10.5
123.08038	4.8
123.11615	1.0
128.11053	0.9
131.08591	1.5
133.06514	1.5
133.10133	20.1
135.08069	100.0
137.05980	2.6
137.09633	48.6
142.07797	1.3
147.08092	1.3
147.09190	2.7
147.11705	15.2
149.09607	1.1
151.07632	1.4
151.11278	1.9
154.98190	0.9
155.08620	1.0
155.15799	1.0
157.10150	5.8
159.11665	1.2
161.09663	5.4
161.13295	1.2
163.07564	5.0
165.06940	1.1
175.11208	32.0
175.14734	1.2
177.12769	3.8
179.10687	2.9
181.08618	22.0
193.12259	9.4
195.02899	4.4
203.10687	4.0
203.14362	1.1
211.07686	2.5
221.09666	0.9
221.11717	21.0
221.15251	2.1
224.03191	5.8
239.05386	10.7
239.08951	2.4
239.12723	6.0
239.16341	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	239.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
54.62664	1.0
55.01894	1.4
55.05508	2.9
55.34617	1.1
57.03437	1.5
57.28277	1.0
65.03945	1.1
66.30677	0.9
67.05512	7.5
69.03422	4.0
69.07091	2.3
71.04972	3.5
71.08587	1.5
71.50310	1.6
79.05508	7.2
81.07066	7.0
82.06595	1.1
83.04990	2.4
83.08637	1.0
84.08094	1.3
85.02914	2.1
85.06581	1.5
89.03938	1.1
89.05990	2.3
90.04250	1.3
91.05476	9.1
93.03398	1.1
93.07057	5.6
95.04964	4.3
95.08618	6.4
97.06557	1.8
99.04469	1.0
105.07037	19.8
107.04946	4.0
107.08602	16.5
109.06497	3.9
109.10170	9.1
111.04481	1.2
113.94878	1.0
115.03833	1.2
117.03375	3.7
117.07000	1.7
118.03732	5.7
119.04913	1.3
119.08598	12.2
119.77093	1.0
121.06532	12.3
121.07330	1.9
122.07288	10.4
123.08115	6.5
125.06041	1.3
125.09660	1.4
131.08578	3.6
133.06493	3.9
133.10144	18.1
135.08064	100.0
137.05986	8.9
137.09625	47.6
145.02881	5.1
145.06573	1.2
146.03183	14.9
147.08076	2.5
147.09120	2.5
147.11696	14.0
149.06039	1.7
149.07175	1.2
150.06371	1.6
151.07574	2.1
151.11194	1.6
153.08978	1.6
155.08704	1.4
157.10159	5.7
159.11752	1.3
161.09656	5.0
161.13297	1.4
163.07614	6.2
165.09152	9.6
175.11203	33.7
177.05469	7.7
177.12796	2.7
178.05821	27.9
179.10724	2.9
181.08621	24.4
193.06740	1.2
193.08537	2.2
193.12215	8.4
203.10664	4.4
203.14346	1.5
211.07611	2.6
221.11743	20.0
239.06902	2.0
239.08728	6.2
239.12854	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	239.1279
Annotation	3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate
Peak:m/z	Relative Intensity
53.03932	1.4
53.49702	0.7
55.05514	1.3
67.05513	5.6
67.63246	0.8
69.03439	3.3
69.07069	1.4
69.18391	7.3
70.06580	0.9
71.05005	1.8
74.98319	0.7
79.05505	4.8
81.07051	4.9
83.04984	1.3
85.02878	0.7
89.06052	1.5
91.05497	7.5
93.07046	3.8
95.04942	1.6
95.08626	5.4
97.06549	1.3
98.21550	1.3
105.07033	13.2
107.04942	1.5
107.08605	14.0
109.06511	2.9
109.10166	8.0
111.04411	1.4
117.07002	2.6
119.08591	11.8
121.06514	11.1
121.10110	0.9
122.07301	11.1
123.08072	4.2
123.11681	1.0
125.09650	1.0
131.08524	0.8
133.06499	3.2
133.10143	17.0
135.08064	100.0
136.08398	0.9
137.06004	3.0
137.09622	46.1
142.07742	1.3
147.08083	1.6
147.09189	2.7
147.11694	13.0
151.07547	2.0
151.11224	1.4
157.10118	6.9
159.11725	1.5
160.08823	1.0
161.09641	4.7
163.07588	5.0
163.11301	0.8
165.09178	4.6
175.11200	28.8
177.12766	3.6
178.05841	0.8
179.10661	2.6
181.08607	23.4
193.08630	0.9
193.12247	10.5
203.10655	4.3
203.14352	0.8
221.11743	19.0
221.15128	1.1
239.06903	1.0
239.08974	3.2
239.12560	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	239.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01883	1.0
55.05506	3.7
57.03444	1.5
57.07076	1.6
67.05518	7.6
69.03433	3.8
69.07069	3.9
69.67001	0.8
70.21626	2.5
70.22018	1.8
71.04995	4.1
79.05497	5.6
81.07071	7.6
83.04993	1.8
85.02931	1.3
85.06561	1.8
86.01089	0.9
91.05485	7.8
93.07063	5.3
95.04998	2.0
95.08613	6.6
97.06552	2.0
98.97588	1.6
103.05458	1.0
105.07041	15.5
107.04967	2.2
107.08601	14.1
109.06562	2.6
109.10158	10.5
111.04482	0.8
111.08082	1.7
115.05451	1.0
117.07019	2.0
119.08588	13.1
121.06516	13.2
121.10143	2.5
122.07297	10.5
123.08038	4.8
123.11615	1.0
128.11053	0.9
131.08591	1.5
133.06514	1.5
133.10133	20.1
135.08069	100.0
137.05980	2.6
137.09633	48.6
142.07797	1.3
147.08092	1.3
147.09190	2.7
147.11705	15.2
149.09607	1.1
151.07632	1.4
151.11278	1.9
154.98190	0.9
155.08620	1.0
155.15799	1.0
157.10150	5.8
159.11665	1.2
161.09663	5.4
161.13295	1.2
163.07564	5.0
165.06940	1.1
175.11208	32.0
175.14734	1.2
177.12769	3.8
179.10687	2.9
181.08618	22.0
193.12259	9.4
195.02899	4.4
203.10687	4.0
203.14362	1.1
211.07686	2.5
221.09666	0.9
221.11717	21.0
221.15251	2.1
224.03191	5.8
239.05386	10.7
239.08951	2.4
239.12723	6.0
239.16341	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	238.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96581	0.8
66.44340	0.5
71.24184	0.7
72.08153	1.0
77.03391	0.4
79.05502	0.8
81.07087	0.4
84.08157	0.5
89.06057	0.6
91.05461	2.4
92.05009	1.9
103.05470	0.8
106.06541	0.9
109.74354	0.4
118.06554	3.4
119.04953	6.3
120.08059	0.6
127.58697	0.4
131.04930	1.2
132.08076	0.7
134.06097	0.5
135.04433	0.6
135.06793	0.9
136.06213	1.7
136.07584	12.2
138.05481	0.5
145.02895	1.3
146.06013	100.0
147.04393	0.8
147.06343	1.2
148.03946	8.9
148.05116	0.6
154.79886	0.5
162.05515	1.0
164.07071	24.8
165.07417	0.5
174.05516	25.4
177.05463	2.2
192.06561	83.9
192.10188	1.8
193.06894	1.6
204.19417	0.5
220.06036	2.2
238.07118	7.6
238.10786	0.9
238.13013	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93505	0.4
57.50996	0.3
63.02383	0.5
70.74845	1.0
89.03922	7.3
89.45232	0.3
91.05485	1.3
91.91177	0.3
92.05046	0.5
98.25712	0.3
103.05481	1.1
106.04163	0.4
115.22740	0.3
115.86298	0.4
117.03391	28.2
118.06576	1.1
119.04941	2.2
130.79482	0.3
131.05000	0.3
134.02766	0.4
134.03615	2.0
135.04427	0.9
135.06845	0.4
136.06152	0.5
136.06580	0.5
136.07576	4.3
145.02855	62.3
146.06018	32.1
147.04343	0.4
147.06335	0.6
148.03978	3.4
149.05975	8.8
163.03943	0.8
164.07080	7.7
164.08411	0.5
174.05513	8.5
176.81526	0.3
177.05481	100.0
178.05850	0.9
186.05589	0.5
192.06560	28.3
193.06876	0.4
220.06038	0.4
220.09721	0.7
238.07176	2.3
238.10861	1.9
238.12938	0.6
239.08907	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	0.8
70.02297	0.4
70.67190	0.9
70.67560	1.0
73.03208	0.4
83.64980	0.5
91.05488	2.5
92.05002	1.5
96.90588	0.4
103.05487	1.0
104.89666	0.5
106.06520	0.8
107.05024	0.4
118.06559	3.9
118.51157	0.5
119.04955	6.8
122.06016	0.6
131.04939	1.1
134.06091	0.7
135.06815	0.6
136.06213	1.7
136.07582	12.6
146.06013	100.0
147.04391	0.5
147.06337	1.8
148.03938	8.4
151.10825	0.4
162.05505	0.8
164.07071	25.4
165.07365	0.6
174.05521	25.5
192.06563	82.3
193.06915	0.8
214.96545	0.6
220.06058	1.9
220.68170	0.5
238.07085	8.9
238.12962	0.8
238.18011	0.9
241.12160	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03952	3.5
55.01870	9.3
55.05525	12.8
57.03436	2.6
57.07085	28.8
65.03947	3.0
67.05245	2.3
67.05517	27.0
69.03435	5.2
69.07074	30.4
69.94279	7.4
69.94689	6.0
71.01338	2.3
71.04987	12.8
73.06561	2.8
79.05507	20.3
79.49355	2.5
81.07063	48.4
83.04984	10.2
83.08622	14.9
85.02921	2.7
85.06564	14.2
91.05502	15.1
93.07060	41.7
95.04967	5.0
95.08615	43.2
97.06530	8.6
97.10170	3.7
99.04431	4.3
99.08083	4.2
103.05457	2.7
105.07034	30.0
107.04955	7.0
107.08606	52.0
108.22987	2.4
109.02895	5.2
109.06551	5.2
109.10168	57.3
111.04439	19.3
111.08083	10.4
113.05242	2.3
113.06016	3.2
115.04544	2.2
117.07049	6.5
119.08589	25.8
121.06491	6.6
121.10149	59.3
123.08139	5.1
123.11743	13.6
125.06020	6.5
125.09634	9.0
127.07510	3.5
131.08577	13.5
133.10138	11.0
135.04416	5.1
135.08072	5.9
135.11685	25.3
137.06004	2.7
137.09641	5.9
137.13252	9.8
139.07603	2.8
145.10121	29.3
147.11696	15.4
147.94659	3.1
149.02400	4.3
149.09616	10.2
149.13290	16.4
151.11194	11.1
153.05510	11.9
153.09143	7.2
159.07990	2.5
159.11710	46.5
161.13260	14.0
163.03868	4.5
163.11182	23.2
163.14844	9.9
165.06941	3.1
165.12735	2.9
167.10802	3.9
173.13289	5.0
175.07500	4.1
175.14824	7.8
177.05431	2.8
177.09140	3.7
177.12801	10.1
177.16420	14.4
179.08583	4.4
179.10603	3.2
179.14450	2.9
181.04964	13.3
181.10120	3.1
181.12202	7.2
191.10687	35.0
191.14293	4.5
191.17937	21.5
194.10909	5.1
195.10193	14.1
195.11707	5.5
201.16394	41.7
209.11745	25.9
209.13426	3.4
219.10136	7.1
219.13890	3.6
219.17465	42.0
219.20973	3.0
223.33202	3.2
237.07515	4.4
237.10893	14.1
237.14818	9.8
237.16685	5.9
237.18530	100.0
237.22189	5.0
238.18161	2.9
252.01665	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	237.1851
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03944	5.0
55.01852	2.5
55.05512	15.3
57.03421	2.9
57.07058	5.6
59.04993	10.6
61.83524	2.6
67.05512	29.3
69.03436	9.3
69.07062	20.2
70.84370	6.9
71.05008	27.4
79.05502	21.7
81.07060	89.1
83.04991	5.7
83.08604	7.3
85.06537	11.1
85.71454	2.9
91.05475	22.0
93.07051	100.0
95.04961	9.4
95.08613	43.6
97.06539	11.6
97.10190	3.8
99.08082	7.4
105.07044	43.0
107.08609	55.8
109.06499	9.7
109.10164	36.4
110.10520	2.5
111.04392	2.5
111.08093	18.0
113.06006	8.5
113.09609	3.0
117.06992	6.2
119.08593	29.5
121.06507	5.6
121.09335	3.2
121.10149	34.8
123.08091	14.8
123.11720	38.9
125.09634	5.9
127.07587	3.3
127.11192	7.6
131.08539	12.6
133.06488	2.6
133.09253	3.9
133.10149	45.6
135.08041	10.7
135.11691	24.9
137.05908	2.6
137.09625	3.5
143.08549	4.6
145.10155	25.7
147.11684	11.6
149.05920	2.5
149.09622	9.0
149.13277	16.6
151.07578	4.1
151.11201	33.3
155.10728	3.0
159.11690	26.5
161.13239	17.4
163.07465	3.1
163.11148	8.5
163.14825	7.6
165.12807	3.7
173.13260	9.0
175.14813	8.0
177.09105	3.4
177.12764	10.2
177.16397	4.0
179.14323	4.4
191.14317	4.7
191.17952	8.5
195.11703	2.7
201.16418	23.9
205.12254	3.2
219.13885	5.3
219.17447	52.4
237.12798	4.6
237.14565	11.3
237.16762	2.5
237.18523	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03942	6.5
55.01868	5.8
55.05512	26.1
57.03435	2.9
57.07080	12.8
59.05005	3.5
67.05231	2.6
67.05515	29.1
69.03431	3.5
69.06730	3.8
69.07072	40.5
69.58447	16.5
71.05000	6.1
79.05499	26.5
81.06591	5.3
81.07059	80.7
83.04988	8.6
83.08625	15.3
84.89290	2.7
85.06545	12.0
91.05489	19.6
93.07050	45.2
95.04955	5.2
95.08614	76.5
97.06510	14.2
97.10155	9.2
105.07031	43.8
107.08600	58.3
109.06503	7.7
109.10167	53.5
110.32307	3.3
111.04472	5.2
111.08086	6.5
111.11728	7.4
113.05992	5.9
113.09601	2.9
117.07043	6.2
119.08584	36.0
121.06487	5.1
121.10151	50.9
123.08060	6.6
123.11734	14.1
130.07787	4.5
131.04973	2.8
131.08578	19.0
133.10146	22.3
135.08066	7.4
135.11703	51.9
137.09604	5.4
143.08554	4.3
145.10123	43.0
147.11710	13.2
149.02364	3.8
149.09622	6.0
149.13287	14.0
151.11156	4.5
153.05463	5.6
159.11699	35.6
161.13257	25.7
163.07674	3.8
163.11189	12.0
163.14784	3.3
165.07040	4.0
173.13277	14.5
175.14838	6.5
177.12769	4.5
177.16446	4.4
179.08627	3.0
179.14319	3.3
181.10072	3.5
189.16388	6.2
191.14357	4.4
191.17969	44.7
193.05009	4.0
193.10150	3.1
195.11597	3.7
201.16393	56.8
209.11774	8.5
219.13657	2.7
219.17453	53.3
225.47206	2.7
237.09366	3.3
237.12799	5.5
237.14754	9.1
237.18506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03941	7.0
53.92046	3.8
55.01876	5.9
55.05517	19.7
57.03436	6.8
57.07093	7.7
59.04972	5.3
67.05513	29.4
69.03422	10.6
69.07076	32.3
71.04989	23.0
71.49754	5.7
79.05496	34.2
81.03433	18.6
81.07059	92.1
83.01361	5.2
83.04986	17.1
83.08614	12.4
85.02922	5.0
85.06535	18.0
87.96325	4.1
91.03419	4.2
91.05494	20.9
93.07050	57.8
95.04984	15.7
95.08615	48.7
97.06530	9.8
99.08103	12.7
105.07043	49.0
107.08602	81.7
109.06522	21.7
109.10162	49.8
111.04459	4.5
111.08116	4.6
117.07013	10.0
119.08612	36.7
121.06520	12.2
121.10152	38.4
123.08089	10.9
123.11752	20.1
125.02443	4.4
125.09646	10.8
127.07520	5.5
127.11177	11.1
129.07013	6.6
131.08603	20.5
133.10138	35.1
135.08076	8.6
135.11696	33.6
137.09644	6.2
139.11214	6.5
145.10123	30.8
147.11713	9.5
149.09631	12.9
149.13278	15.1
151.07608	7.2
151.11200	50.0
155.10728	5.2
159.08113	7.8
159.11722	28.5
161.09735	5.3
161.13303	42.9
163.07603	5.1
163.11195	16.1
163.14845	100.0
163.16132	7.7
167.07085	5.0
167.08466	4.0
173.13252	11.1
175.14825	9.2
177.09160	11.0
177.12811	5.6
179.14371	15.7
181.12140	5.0
186.45305	4.0
191.07014	6.1
191.14334	8.8
191.17909	9.0
195.11736	4.4
201.16435	36.4
219.10141	5.2
219.13980	5.3
219.17470	42.5
237.07396	5.9
237.14868	16.9
237.18515	46.4
237.22192	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	237.1851
Annotation	Godotol A
Peak:m/z	Relative Intensity
51.25935	2.9
53.03958	4.5
55.01857	6.2
55.05514	30.6
57.03423	5.2
57.07060	10.6
67.05514	40.6
68.11591	3.1
69.07075	45.1
69.79543	18.9
71.04971	9.6
77.32634	3.3
79.05508	35.6
81.03394	4.2
81.07065	85.8
83.01320	3.8
83.04970	12.8
83.08617	22.8
85.06528	7.1
86.84035	3.6
91.05495	28.8
93.07050	70.5
95.04955	10.2
95.08615	85.2
95.13126	3.4
97.06525	13.5
97.10153	7.4
98.21490	7.1
99.08084	4.5
101.06007	4.8
105.07030	61.7
107.04993	3.9
107.08605	77.4
109.06555	17.8
109.09480	5.8
109.10172	70.9
111.08128	8.2
113.06047	3.5
115.05466	3.5
117.07021	16.4
119.08597	49.9
121.06521	6.8
121.10147	45.4
123.08054	12.4
123.11701	12.0
125.09604	9.9
131.08566	35.3
133.10133	48.1
135.08034	9.7
135.11693	45.8
137.09583	10.3
137.13246	4.9
138.78119	3.2
139.07541	3.6
139.11159	3.8
145.10139	49.4
147.11716	20.0
149.02377	7.6
149.09537	7.4
149.13272	23.4
151.07607	6.9
151.11177	8.3
157.10104	3.9
159.10654	4.2
159.11707	45.3
159.25615	3.8
161.13277	29.8
163.11139	18.2
163.14821	8.3
165.06946	3.0
169.21719	3.6
172.12361	3.4
173.13260	15.3
175.14848	50.6
177.12772	8.2
177.16437	16.6
179.08513	6.4
181.10063	6.0
181.12236	10.1
189.16403	5.9
191.17949	20.1
193.04950	7.3
195.13765	3.4
201.16385	71.2
202.18678	3.6
207.08051	12.8
209.09702	4.4
209.13171	4.0
219.13962	6.4
219.17461	67.6
222.10435	39.8
237.07576	15.3
237.12958	21.3
237.14772	13.4
237.16801	4.5
237.18500	100.0
254.26930	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	237.185
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
52.59518	3.8
55.05515	38.1
55.39191	3.1
57.03437	5.6
57.07067	7.2
57.45687	3.4
59.04984	3.9
60.39603	3.3
64.22555	3.0
67.05502	43.0
69.03409	10.6
69.07072	43.5
69.40276	27.3
70.95874	4.9
71.04976	9.9
71.08615	3.7
77.40852	3.0
79.05490	24.9
81.03430	4.3
81.07057	92.5
83.04984	24.9
83.08624	22.4
85.02897	4.3
85.06537	10.3
91.05501	23.1
93.07053	57.0
93.51497	3.5
95.04971	6.8
95.08613	100.0
97.06550	17.4
97.10160	9.8
99.04485	3.5
99.08102	6.9
105.07037	36.5
107.04917	3.0
107.07876	6.2
107.08593	92.6
109.06506	16.7
109.09474	5.2
109.10162	62.1
111.04457	3.3
111.08077	17.1
111.98483	9.8
113.96367	5.0
117.06989	8.0
119.08588	35.1
121.06511	8.3
121.10148	58.6
123.08031	10.1
123.11700	20.2
123.12469	3.6
125.05943	3.9
125.09618	9.6
127.11072	3.8
131.08549	10.0
133.10126	19.0
135.08072	9.4
135.11687	37.0
136.08873	4.9
137.09669	4.7
137.13280	22.5
139.07539	3.9
139.11198	6.9
145.10106	25.6
147.11682	24.7
149.02330	12.2
149.09605	8.3
149.13295	18.7
151.11212	7.7
157.10069	3.2
159.11664	24.3
161.13248	19.7
163.07445	3.9
163.11198	22.1
163.14833	14.1
165.07018	5.2
165.12712	6.2
173.13240	9.6
175.14853	9.0
177.12700	9.4
177.16473	6.5
181.10196	5.1
181.12227	5.1
191.14197	5.5
191.17928	19.8
193.04953	7.1
195.13760	4.3
196.00449	4.0
201.16435	22.3
209.09587	5.9
219.13683	3.7
219.17447	28.2
237.07524	11.5
237.09456	5.3
237.12674	7.8
237.14413	17.2
237.16714	5.0
237.18509	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03955	3.3
55.01870	3.7
55.05293	3.4
55.05521	29.1
56.68834	2.8
57.03438	4.7
57.07072	13.0
59.04994	3.2
61.02906	3.4
61.65722	3.2
62.93214	3.3
67.05514	41.7
67.23269	2.9
68.17052	3.1
69.07076	40.1
69.34641	7.8
69.35064	19.3
70.20345	3.5
71.04997	10.0
79.05502	43.2
81.03414	3.5
81.07067	81.1
83.04958	6.7
83.08620	13.0
85.06544	6.9
91.05487	38.8
93.07056	73.8
95.04984	12.4
95.08616	100.0
96.09542	3.0
97.06531	10.1
97.10175	8.7
99.12816	3.1
105.07050	63.2
107.08611	74.2
109.06516	13.9
109.10162	60.3
111.08089	11.2
111.11773	3.4
117.07021	15.8
119.08591	47.4
121.06538	8.8
121.09325	6.1
121.10156	63.9
121.20899	3.3
123.08063	15.2
123.11707	17.7
125.09644	7.7
131.08592	29.1
133.10153	42.9
135.08072	8.1
135.11707	41.5
137.09636	10.7
137.13290	6.8
139.07541	3.7
145.10141	53.4
147.11699	27.7
149.09619	11.2
149.13284	27.2
151.11215	6.6
157.10130	5.1
159.11700	41.0
161.13275	25.0
163.11188	18.3
163.14890	6.9
173.13295	17.7
175.14842	54.5
177.12779	3.1
177.16402	24.9
181.12239	6.3
189.16393	9.4
191.14287	4.2
191.17937	12.0
195.11765	5.0
201.16388	73.2
219.17471	72.2
219.49875	3.0
237.16762	4.2
237.18524	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03942	3.6
53.20518	3.5
55.05507	12.4
59.04992	6.7
67.05504	17.6
69.03436	21.4
69.07066	11.8
69.42128	2.9
69.47058	22.2
71.05008	39.3
76.31147	3.2
79.05497	24.2
81.07070	100.0
83.08609	6.7
85.06560	7.5
91.05513	14.8
93.07071	23.8
95.05006	5.2
95.08617	18.5
97.06535	7.0
98.21501	4.8
98.97585	9.1
99.08112	46.3
100.20066	3.3
104.70532	3.1
105.07046	32.7
107.08605	25.1
108.46421	2.9
109.06525	20.2
109.10168	26.2
117.07028	6.4
119.08583	15.0
121.10146	18.6
123.08094	7.7
123.11722	8.0
125.09658	6.5
127.07573	28.0
127.11211	27.8
131.08598	4.6
133.10139	41.4
135.11691	9.7
139.11246	6.3
143.10649	6.3
145.10132	16.4
147.11731	15.3
149.13245	7.0
151.07561	3.9
151.11200	52.2
155.10730	9.9
158.99652	4.1
159.11763	10.1
161.13304	9.0
163.14818	4.0
165.12831	5.2
165.56516	3.3
169.12289	6.0
173.13203	4.2
201.16422	9.7
214.75363	3.3
219.17458	12.5
237.14851	5.7
237.18564	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	237.185
Annotation	Godotol A
Peak:m/z	Relative Intensity
55.01890	3.0
55.05522	21.5
57.03440	3.6
57.07078	7.8
59.05004	8.8
59.19587	3.4
67.05505	26.9
69.03427	9.2
69.07079	18.6
70.39856	6.3
71.05004	30.4
73.72512	2.9
79.05508	22.9
81.07065	100.0
83.04984	7.1
83.08622	7.9
85.06552	6.7
91.05483	23.9
93.06481	6.5
93.07055	98.5
95.04985	8.8
95.08617	48.8
97.06540	9.1
98.97642	3.5
99.08107	8.1
103.05581	3.0
105.07038	39.3
107.04970	4.0
107.08611	48.0
109.06528	18.9
109.10156	28.5
111.08115	8.9
112.40195	2.7
113.06023	10.3
113.09662	5.5
115.07596	3.8
117.07029	6.1
119.08595	32.0
121.06512	9.3
121.10144	24.0
123.08083	6.9
123.11739	49.0
125.06046	2.9
125.09644	9.7
127.07528	4.1
127.11187	19.2
131.04907	3.9
131.08594	15.9
133.10150	40.9
135.08073	7.9
135.11708	22.1
137.06055	5.6
137.09654	5.5
139.11198	4.1
140.35252	3.1
143.10698	3.9
145.10149	18.2
147.08061	3.5
147.11705	16.9
149.09656	6.9
149.13284	10.5
151.07576	4.7
151.11186	47.6
151.12370	3.9
155.10713	3.2
159.11739	20.8
161.09709	3.3
161.13310	11.8
163.07584	5.4
163.11282	6.5
173.09688	3.4
173.13280	10.2
175.07690	3.0
175.14833	5.2
177.09044	3.3
177.12767	7.1
179.14342	3.5
191.07036	5.3
191.14333	4.7
191.17998	7.9
192.25398	3.3
201.12628	3.1
201.16422	15.3
219.06526	3.2
219.10150	9.3
219.13840	6.7
219.17433	44.1
237.11177	4.5
237.14896	17.1
237.18521	38.1
248.90802	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	237.1852
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03931	2.4
55.01873	3.5
55.05518	12.9
57.03420	2.9
57.07080	4.6
59.04992	5.9
67.05510	24.7
68.15210	1.7
68.27724	1.6
69.03429	6.6
69.07086	8.5
70.43578	3.2
70.43935	4.4
71.05006	22.6
71.32087	1.6
79.05513	17.5
81.03412	2.8
81.07066	97.5
83.04971	5.0
83.08630	4.2
85.06547	7.3
91.04975	3.2
91.05488	28.6
93.07055	100.0
95.04990	8.9
95.08614	42.3
97.02945	2.1
97.06525	4.8
97.10175	2.6
98.97604	4.2
99.08105	8.9
102.00281	1.9
103.05483	1.7
105.07048	25.1
107.04931	4.5
107.08607	39.9
109.06522	9.0
109.10173	22.9
111.08086	2.8
113.06022	9.4
117.07027	7.2
119.08592	20.5
121.06509	6.7
121.10143	18.0
123.08064	7.5
123.11720	56.5
125.09661	6.6
127.07571	3.2
127.11183	6.8
129.07021	2.2
131.04930	3.8
131.08597	13.5
133.06499	2.0
133.10158	36.8
135.04454	2.6
135.08035	9.3
135.11682	14.4
137.06010	2.6
137.09622	3.7
145.10175	10.8
147.04391	4.5
147.08084	4.1
147.11745	13.3
149.09642	4.3
149.13277	8.0
151.07608	2.9
151.11205	50.3
153.12781	2.2
155.08635	2.3
155.10681	2.5
158.07243	1.9
159.08086	3.5
159.11717	12.5
161.05971	2.1
161.13280	8.3
163.11197	5.8
165.05507	5.1
165.12779	3.2
173.09656	3.3
173.13271	6.5
175.07526	2.7
175.14861	4.1
177.05396	2.4
177.09152	3.5
177.12752	8.4
179.14403	2.1
183.11679	2.0
189.09174	2.7
191.07063	5.5
191.10677	4.8
191.14279	3.5
191.17960	4.3
201.09155	4.2
201.12857	2.5
201.16408	10.3
217.65736	1.8
219.10197	12.8
219.13855	3.4
219.17465	34.5
235.00862	2.0
237.11209	12.0
237.14891	14.5
237.18513	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1123
Annotation	Pyrenochaetic acid C
Peak:m/z	Relative Intensity
53.03936	1.0
55.01868	1.3
55.05506	3.6
56.96554	0.9
57.03425	1.2
57.07083	1.0
59.05008	4.3
60.00144	0.7
63.96997	0.9
65.03963	0.8
67.05510	5.7
69.03416	3.7
69.07059	3.9
69.50687	5.9
71.05006	4.8
77.08392	0.8
79.05502	7.3
81.03405	1.3
81.07066	9.3
83.04982	2.3
83.08626	0.8
84.17409	0.8
85.02926	1.2
85.06570	4.5
87.04472	1.5
91.05488	23.6
93.07051	10.2
95.04977	4.8
95.08630	6.1
97.06527	3.0
98.97581	1.3
99.04412	1.7
102.96871	1.1
103.05487	2.8
105.07051	11.5
107.04964	9.7
107.08601	8.6
109.06540	4.7
109.10168	4.5
111.04424	1.3
111.08126	1.7
115.05473	2.3
116.06255	1.1
117.07022	4.2
119.04951	24.6
119.08595	4.2
120.05267	0.8
120.08133	0.9
121.06490	4.1
121.10138	4.6
122.29782	0.9
123.04452	3.9
123.08067	3.3
123.11684	1.6
125.09626	1.8
127.11221	1.2
128.06229	1.4
129.07010	3.3
130.07796	2.6
131.04938	51.2
131.08580	7.7
133.06483	3.5
133.10130	5.0
134.03627	2.9
134.09686	1.3
135.04489	1.3
135.08055	3.6
135.11685	3.2
137.05969	6.1
137.09624	1.1
139.07559	1.5
143.08553	1.6
144.05740	1.4
145.06491	6.9
145.10120	11.7
147.04419	84.3
147.08046	2.0
147.11717	1.8
148.05142	2.0
149.05974	3.3
149.09593	2.3
149.13251	1.1
151.07574	6.7
151.11198	3.5
153.06952	1.3
155.08568	15.8
157.10143	1.2
158.07301	8.9
159.04430	38.3
159.08073	2.6
159.11700	3.4
161.06010	2.0
161.09637	21.5
161.13295	1.8
163.07526	2.6
163.11198	2.4
165.05493	23.1
171.80032	0.8
173.09637	35.6
173.13298	2.7
175.07545	2.4
175.14919	1.0
177.05508	2.8
177.09105	3.7
177.12772	2.6
179.10675	2.3
183.08078	1.3
183.11624	0.8
186.06804	1.3
191.07042	3.0
191.10712	10.9
191.14326	3.3
194.07239	1.2
201.09126	39.2
201.12733	1.7
201.16373	1.3
219.10199	10.2
219.13766	4.5
219.17502	2.4
237.11235	100.0
237.14632	8.6
237.16728	2.4
237.18692	1.9
238.11705	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
57.03442	5.8
62.19650	0.8
67.05487	1.1
68.07383	0.6
70.95063	1.1
70.95386	1.1
71.04980	0.9
74.68400	0.7
74.78325	0.7
75.04499	1.4
77.03949	0.8
77.49011	0.9
79.05498	1.8
83.17258	0.7
85.07153	0.8
91.05483	1.5
93.07037	0.9
95.04958	0.9
95.08632	1.0
97.06544	0.9
102.04689	5.8
103.05470	53.9
104.05811	0.7
105.07026	4.3
105.25596	0.7
106.33658	0.7
107.04887	1.1
107.08627	1.1
115.05466	1.7
117.07049	1.1
119.27467	0.8
121.06527	0.7
121.10155	0.9
122.37071	0.7
130.04155	11.2
131.04932	100.0
132.05232	1.0
133.06499	4.8
135.08072	1.3
137.09567	0.7
145.06499	1.3
147.04402	2.1
148.05197	67.4
157.06490	0.8
159.08029	0.8
160.05185	1.9
161.05986	11.3
162.06741	6.1
163.07555	38.3
173.09758	0.8
175.07567	1.5
191.92049	0.8
201.09116	2.1
237.11212	1.5
237.14870	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	5-(4-Hydroxy-5-methyl-1-methylene-5-hexenyl)-2-methyl-2-cyclohexen-1-one
Peak:m/z	Relative Intensity
55.01858	2.9
55.05514	11.7
57.07076	26.0
59.04998	3.3
62.89607	3.1
66.24010	2.9
67.05518	18.4
69.03429	4.4
69.07063	12.0
70.17374	6.2
71.04999	71.2
75.35504	2.7
79.05498	18.1
81.07059	29.6
83.04981	5.0
83.08623	5.7
85.06570	3.4
91.05487	20.8
93.07044	24.7
95.04974	7.4
95.08614	16.4
97.06519	8.3
98.02384	2.8
98.29762	2.8
100.78553	2.7
105.07035	40.5
107.08607	23.9
109.06525	14.0
109.10168	25.2
111.04491	4.1
111.08102	8.5
117.07015	6.6
119.08577	29.7
121.06512	33.2
121.10166	11.1
123.08045	5.6
123.11713	5.8
125.09646	3.6
127.10305	5.8
127.11200	84.1
128.06154	4.8
129.07045	6.4
131.08580	11.4
133.06497	6.1
133.10126	28.9
135.08066	29.3
135.11702	5.9
137.09613	4.7
142.07764	5.9
143.08580	8.9
145.10178	4.5
146.07254	7.8
147.08034	8.0
147.11693	13.7
149.09598	8.7
157.10136	8.8
159.08095	3.6
159.11703	14.0
161.09636	100.0
161.13255	13.8
163.03928	9.2
163.07628	3.2
171.11697	10.7
173.13258	3.3
175.07594	5.8
175.11209	20.2
175.14809	9.9
177.12756	4.9
179.10710	17.4
182.62614	2.8
189.12737	9.3
189.16364	7.5
191.07062	5.1
199.11072	3.6
199.14845	4.5
217.08588	3.9
217.12234	18.0
217.15860	25.1
235.09570	7.3
235.13399	16.4
235.16942	77.8
235.20607	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	235.1694
Annotation	Sootepdienone
Peak:m/z	Relative Intensity
53.03937	6.5
55.01860	5.3
55.05505	11.3
57.03422	2.3
57.07082	16.9
60.47244	1.8
65.03946	5.5
67.05511	27.2
69.03429	7.2
69.07072	16.2
69.39052	16.2
71.04994	15.2
79.05497	42.4
81.03416	2.5
81.06590	3.8
81.07062	66.2
83.04987	11.5
83.08619	4.4
85.06541	5.9
88.07627	1.7
91.05487	35.6
93.07049	61.9
95.04974	29.9
95.08602	25.0
97.06541	17.3
98.21532	3.1
99.04456	6.1
99.08086	2.4
103.05466	4.6
105.07034	75.7
107.04951	8.0
107.08598	45.9
109.06522	43.2
109.10170	40.6
111.04443	4.3
111.08093	4.4
113.05995	2.8
113.57753	1.9
115.05479	3.4
117.07018	12.4
119.04928	1.9
119.08588	60.0
121.06516	58.3
121.07384	3.1
121.10137	15.3
122.07320	2.7
123.04430	4.7
123.08080	12.9
123.11726	13.5
125.05994	4.9
125.09653	2.4
127.07561	10.5
128.06238	6.8
129.07004	13.0
131.08556	33.1
133.06505	11.6
133.10141	33.2
135.04382	5.2
135.08066	21.0
135.11731	11.3
137.05995	8.0
137.09656	4.3
137.13242	2.4
139.07520	5.8
142.07787	14.2
143.08597	24.9
144.09346	5.4
145.10117	14.9
147.08026	13.7
147.11690	43.6
149.05995	2.5
149.09616	9.7
149.13274	10.5
151.11188	4.2
156.09326	8.5
157.10138	36.3
159.08109	2.3
159.11700	44.3
161.05959	3.5
161.09645	18.2
161.13257	28.2
163.11145	3.0
165.09132	4.3
165.12770	8.4
171.11699	24.2
173.09665	3.8
173.13286	10.1
175.07576	4.1
175.11206	39.2
175.14812	12.7
177.12750	24.6
179.10652	9.2
181.10165	4.5
187.18829	4.4
189.08968	2.3
189.12761	29.0
189.16385	15.8
191.14304	4.4
193.12221	6.1
193.15900	2.7
199.11174	18.5
199.14822	17.5
205.15904	7.8
217.08810	3.5
217.12273	50.0
217.15810	38.3
235.09575	5.1
235.13307	42.0
235.16954	100.0
235.20601	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	235.1693
Annotation	5-(4-Hydroxy-5-methyl-1-methylene-5-hexenyl)-2-methyl-2-cyclohexen-1-one
Peak:m/z	Relative Intensity
53.03931	5.2
54.60726	1.5
54.63556	1.7
55.01868	4.4
55.05513	8.6
57.03443	1.6
57.07064	7.1
59.04987	2.0
62.90984	1.8
65.03945	3.5
67.05508	15.5
68.61021	2.3
69.03440	11.0
69.07066	10.3
70.04535	7.2
71.04997	35.2
77.25110	1.6
79.05500	28.1
81.03416	3.3
81.07059	46.4
83.04965	6.5
83.08601	2.2
85.02879	2.0
85.06532	4.9
91.05481	34.2
93.06480	3.2
93.07048	47.8
95.04971	15.4
95.08615	15.3
97.06529	21.7
99.04443	2.5
103.05484	2.8
105.07033	51.4
107.04950	9.0
107.08598	27.2
109.06518	31.0
109.10158	11.7
111.04427	2.9
111.08087	7.9
115.05457	3.7
117.07006	9.4
119.04949	4.0
119.08590	30.7
121.06509	100.0
121.10126	11.1
123.04449	7.4
123.08066	6.7
123.11711	2.9
125.05984	4.3
125.09629	6.1
127.07539	7.4
127.11193	25.1
128.06219	4.1
129.07027	8.8
131.08582	16.1
133.02861	4.2
133.06497	6.6
133.10136	18.3
135.04451	3.9
135.08076	22.7
135.11691	2.1
137.05966	6.0
137.09639	2.4
139.07568	4.1
142.07758	6.1
143.08586	11.6
145.06502	5.0
145.10126	16.4
146.07286	2.0
147.08043	11.7
147.11696	23.6
149.09657	8.9
151.11186	47.8
156.09361	6.5
157.06464	2.4
157.10144	20.5
159.08061	2.4
159.11681	17.9
161.06001	3.0
161.09641	30.1
161.13242	11.1
163.11189	2.0
165.06976	2.7
165.12689	2.4
166.07806	2.1
171.11674	15.3
173.06026	2.8
173.13255	5.1
175.07579	20.8
175.11194	28.5
175.14801	2.9
177.12729	8.1
179.10681	5.5
181.10201	3.5
189.12721	22.9
189.16417	5.3
193.08635	2.6
199.11186	21.7
199.14838	6.7
207.08153	1.7
217.08728	3.4
217.12245	33.0
217.15793	21.4
235.07545	3.8
235.09659	11.1
235.13292	24.6
235.16971	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	5-(4-Hydroxy-5-methyl-1-methylene-5-hexenyl)-2-methyl-2-cyclohexen-1-one
Peak:m/z	Relative Intensity
55.01885	2.6
55.05501	11.7
57.03432	4.0
57.07071	16.5
67.05512	17.3
69.03429	15.7
69.07059	11.4
70.01646	2.7
70.54535	5.7
70.54929	4.5
71.04990	43.4
79.05511	16.9
81.07054	31.2
83.08617	4.0
85.02928	2.8
85.06530	4.1
91.05489	15.8
93.07043	34.0
95.04954	4.3
95.08629	16.4
97.02917	2.3
97.06525	8.3
97.10141	4.0
98.97586	5.9
103.05448	4.4
105.07033	57.7
107.04926	7.1
107.08601	41.4
109.06521	9.0
109.10143	17.1
111.08062	3.0
117.07019	7.6
118.08643	7.4
119.04962	2.6
119.08597	24.1
121.06499	20.7
121.10146	12.9
123.04418	2.7
123.08060	9.0
123.11737	3.2
125.09620	9.3
127.11200	37.2
128.06224	6.1
129.07001	9.0
131.08583	10.6
133.06493	3.8
133.10141	28.0
135.08049	19.4
135.11687	3.4
136.06190	46.8
137.04930	4.7
137.05750	9.8
137.06517	24.2
137.09618	3.5
139.07584	2.3
142.07774	4.7
143.08539	6.2
144.09338	2.9
144.24544	3.0
145.10098	12.5
146.07312	5.0
147.04384	3.0
147.08043	9.2
147.11714	13.3
149.09584	8.3
151.07510	9.6
151.11183	100.0
156.09363	3.8
157.10123	14.2
158.99582	3.4
159.11693	35.7
161.09627	50.0
161.13263	20.7
163.07515	3.7
171.11670	9.9
173.13269	6.4
175.07516	7.5
175.11168	9.6
175.14799	5.6
179.10753	12.6
189.12785	9.2
189.16418	14.9
191.06902	2.8
193.08487	3.0
199.14813	11.4
207.13933	3.3
214.08578	3.5
217.08641	5.7
217.12277	9.8
217.15877	34.7
235.09685	9.4
235.13664	59.8
235.16922	82.7
241.53574	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	235.1694
Annotation	(3Z)-Laurediol
Peak:m/z	Relative Intensity
51.02396	1.0
53.03952	7.1
55.01886	0.9
55.05516	2.9
56.05228	0.7
57.07074	3.7
57.07316	0.6
59.05007	0.6
65.03934	1.0
67.05511	21.2
69.07080	4.5
71.04983	1.5
71.30220	1.1
77.03928	2.8
78.95876	0.6
79.05498	33.0
81.07066	9.2
83.04975	1.7
83.08622	1.4
84.90232	0.7
85.06524	0.8
91.04902	1.1
91.05487	37.9
93.07050	100.0
94.07403	1.0
95.04977	6.9
95.08615	8.7
97.06541	1.8
105.04493	3.6
105.07027	6.8
107.08598	17.6
109.06516	1.3
109.10172	3.3
111.08005	0.7
115.05384	0.6
117.07040	2.9
119.08593	7.0
121.06527	2.0
121.10152	26.0
123.08112	0.8
129.07043	2.0
131.08601	2.5
133.10143	7.8
135.08034	2.5
135.11734	5.4
137.06006	0.7
137.09573	0.6
143.08560	1.3
145.10126	1.4
147.08049	0.8
147.11671	1.6
151.11125	0.9
157.10136	2.9
159.11725	1.0
161.09694	1.2
161.13187	1.0
171.11659	1.6
173.13351	1.1
175.11218	1.5
175.14828	2.5
179.10719	2.6
189.12730	1.8
189.16443	2.2
199.14833	4.7
217.15921	3.6
235.09573	1.2
235.13382	1.2
235.16942	22.3
235.20529	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	Confertifoline
Peak:m/z	Relative Intensity
53.03925	4.1
55.01865	1.7
55.05510	15.5
57.07080	10.4
67.05514	13.3
69.03417	5.6
69.07068	17.8
70.43095	3.8
71.04984	7.2
79.05499	26.7
81.07067	32.3
83.04978	1.8
83.08619	11.6
85.06525	3.9
91.05479	28.1
93.06490	3.0
93.07052	51.5
95.04962	2.5
95.08614	58.0
97.06512	3.7
97.10135	2.1
105.07043	59.7
107.07887	2.0
107.08601	32.8
109.06513	10.7
109.10149	13.2
117.07005	1.9
119.08589	66.0
121.06525	17.2
121.10149	41.7
123.08076	5.9
123.11668	3.1
125.51151	1.9
127.11279	1.9
129.07025	4.4
130.20345	1.7
131.08598	9.2
133.06479	4.6
133.10144	31.7
135.08055	4.7
135.11705	3.9
137.09587	3.8
139.07521	13.9
142.07799	1.9
143.08554	5.7
145.10072	4.4
147.08063	8.6
147.11690	7.1
149.09557	4.5
151.07552	2.5
153.09114	5.5
157.10127	8.0
159.11676	4.7
161.09604	11.0
161.13222	2.4
162.13873	1.5
165.09129	18.0
167.10709	2.7
171.11668	2.2
173.13268	14.9
175.11226	2.5
175.13304	3.8
175.14838	76.2
176.15092	2.0
179.07234	1.7
179.10670	21.7
184.62228	1.9
189.09116	1.8
189.12686	3.3
189.16411	8.5
193.12312	2.2
199.14825	15.0
202.59512	2.2
217.15857	22.5
235.13457	12.6
235.16930	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	3.4
59.07388	2.5
61.25644	0.3
70.00753	1.2
81.69562	0.2
96.92818	0.4
107.35217	0.3
110.63201	0.2
118.08669	100.0
119.08984	0.8
132.10222	0.9
136.94035	0.4
147.03210	0.3
158.91054	0.3
193.03877	0.3
196.54369	0.2
235.06738	0.7
235.16635	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
53.03930	5.1
55.01862	3.6
55.05514	18.1
57.03426	4.6
57.07080	11.9
58.41636	2.4
59.04993	2.7
61.70291	2.4
67.05507	42.3
67.85080	2.2
69.03411	8.8
69.06679	3.7
69.07068	68.8
69.23043	2.4
69.51698	16.6
71.04972	5.1
79.05495	51.2
81.07057	84.7
83.04980	27.3
83.08603	4.0
85.06538	4.4
91.05489	23.2
93.07047	35.9
95.04970	13.8
95.08607	31.1
97.06532	100.0
97.10140	2.6
104.53273	2.2
105.07030	81.7
107.08587	42.9
109.06513	18.2
109.10155	49.6
111.08076	5.9
117.07032	8.3
119.08589	52.3
121.06509	14.6
121.10123	21.4
123.08058	16.8
123.11745	2.7
125.05975	6.1
125.09639	3.5
128.06175	3.2
129.07008	7.0
131.08589	20.8
133.10139	35.9
135.08054	30.3
135.11676	6.5
137.09555	6.0
142.07753	9.9
143.08571	9.3
145.10130	23.9
147.08011	3.6
147.11705	26.4
149.09613	5.9
149.13275	5.4
151.07700	2.7
151.11157	7.9
157.10136	22.5
159.11717	23.2
161.09570	18.0
161.13263	19.4
162.10474	2.9
163.11185	7.1
171.11691	6.4
171.16455	2.5
173.13286	12.2
175.07518	2.8
175.11200	19.7
175.14815	7.2
177.12752	8.4
179.10693	9.5
187.14749	6.0
189.12724	8.9
189.16373	8.9
191.14311	3.8
199.14824	9.7
205.15817	3.9
217.12253	10.5
217.15846	25.3
228.71846	2.7
235.13261	7.5
235.16936	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01860	6.2
55.05521	13.2
56.96564	1.8
57.03431	1.7
57.06795	1.6
57.07077	23.3
58.96134	1.4
59.05001	2.2
61.79256	1.2
62.76758	1.4
65.03938	3.0
67.05507	21.3
69.03416	6.4
69.06729	1.5
69.07069	16.8
69.36217	4.4
69.36629	7.4
71.04991	10.7
79.05495	44.7
81.07059	74.4
83.04977	19.5
83.08642	2.9
85.02888	2.4
85.06534	4.8
91.05479	36.6
93.06482	2.9
93.07048	51.6
95.04976	19.6
95.08622	21.1
97.02850	1.9
97.06536	30.2
99.04448	6.4
101.06067	1.4
103.05457	2.9
105.04526	2.4
105.07037	62.6
107.04968	9.2
107.08598	36.5
109.06518	37.9
109.10139	12.9
111.04434	1.7
111.08101	15.9
113.06001	4.4
115.05459	5.6
117.06999	9.4
119.04940	3.5
119.08588	44.8
121.06511	76.4
121.10154	12.6
123.04409	6.8
123.08065	16.8
123.11703	4.2
125.06020	7.4
125.06788	1.5
125.09657	3.1
127.07558	14.6
127.11176	3.3
128.06229	9.1
129.07040	13.6
131.08583	20.8
133.06523	10.8
133.10141	31.4
135.04407	6.5
135.08038	16.4
135.11673	5.2
137.05965	11.3
137.09665	7.2
137.13205	1.7
139.03876	2.0
139.07521	2.7
141.07005	2.5
142.07791	14.4
143.08554	21.5
145.06436	4.6
145.10138	14.3
147.08058	12.0
147.10577	1.2
147.11691	29.6
147.12807	2.8
148.35710	1.6
149.02330	2.0
149.05974	2.9
149.09616	8.4
149.13255	2.4
151.07549	5.3
151.11192	3.8
153.05385	1.5
153.09142	1.4
155.08513	4.1
156.09314	9.0
157.10135	39.6
159.08049	3.0
159.11693	18.9
160.08894	2.2
161.05994	2.9
161.09633	17.1
161.13272	17.7
162.10461	1.7
163.07503	4.3
163.11148	3.7
165.06917	2.6
165.09117	3.0
165.12741	3.6
166.07751	2.2
169.10155	1.9
171.08031	3.4
171.11681	27.2
173.09639	4.6
173.13307	9.0
174.06686	1.8
175.07562	6.5
175.11191	37.5
175.14809	8.1
177.09106	2.4
177.12685	8.6
179.10692	19.5
181.10132	5.8
184.08791	3.2
189.09134	4.1
189.12756	34.0
189.16391	10.6
191.07088	2.7
191.14261	2.7
193.12234	2.7
199.11182	33.2
199.14809	11.9
207.10112	2.0
207.13676	2.1
217.08682	4.1
217.12263	65.5
217.15782	23.3
217.19469	1.9
235.05943	2.7
235.09575	5.9
235.13283	47.6
235.16939	100.0
235.20717	4.1
236.13504	2.5
236.17252	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.133
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
50.00934	1.2
50.61497	1.4
51.02403	1.5
53.03947	6.3
55.01871	8.0
55.05508	12.9
57.03437	1.9
57.07082	21.9
59.04986	2.4
60.93712	1.4
65.03938	3.3
67.05507	29.1
68.99808	1.5
69.03435	7.7
69.07069	12.4
69.62436	7.0
69.62846	2.7
71.04998	15.0
77.03957	1.9
79.05500	59.7
81.03412	3.8
81.07063	86.3
83.04981	15.1
83.08652	3.2
83.42484	1.4
85.06551	5.0
88.07632	2.6
91.05486	38.5
93.07053	60.1
93.07648	3.2
95.04980	26.5
95.08611	22.3
97.06539	28.7
99.04450	6.4
101.05991	2.4
103.05469	2.5
105.04467	2.0
105.07040	74.2
107.04982	13.5
107.07888	2.0
107.08604	36.8
109.06527	54.0
109.10159	19.7
109.10841	1.9
111.04499	3.2
111.08098	4.0
113.06042	2.9
115.05440	3.5
117.07024	11.4
118.08678	4.8
119.04951	3.8
119.08598	48.0
121.06517	100.0
121.10151	12.0
122.06799	1.6
123.04433	7.9
123.08066	13.2
123.11711	8.3
125.06000	6.3
125.09639	2.4
127.07578	19.1
128.06247	10.7
129.07036	14.8
131.08577	28.3
133.06551	11.0
133.10155	32.9
135.04449	6.4
135.08080	25.9
135.11708	6.2
137.05974	16.9
137.09612	3.0
139.07562	7.5
141.05481	1.6
141.07007	4.4
142.07805	17.0
143.08574	26.6
144.09323	2.3
145.06493	6.0
145.10149	20.2
147.08054	18.4
147.11702	42.4
149.05969	2.7
149.09633	5.7
149.13277	5.3
151.07533	2.0
153.05438	1.8
155.08638	3.5
156.09338	10.9
157.06526	2.4
157.10133	42.9
159.08080	3.9
159.11699	25.2
160.08868	2.5
161.05978	3.0
161.09615	14.3
161.13266	22.9
163.07545	3.4
163.11195	3.1
165.05598	1.6
165.07053	2.6
165.09145	2.6
165.12766	12.3
166.07793	3.4
171.08104	2.1
171.11703	33.8
173.09633	7.3
173.13382	7.3
174.10518	1.9
175.07605	4.2
175.11203	62.8
175.14777	9.2
177.09142	2.0
177.12782	11.3
179.10719	14.2
181.10129	5.5
184.08778	2.2
184.12419	1.7
187.18918	5.5
189.09135	6.0
189.12762	46.2
189.16406	6.1
190.06372	2.0
191.07117	1.8
191.10728	3.1
191.14384	2.9
193.12277	6.0
193.15952	1.7
199.11214	38.3
199.14813	11.6
205.15891	3.9
207.13870	1.7
217.08746	4.4
217.12274	78.3
217.15742	23.3
235.09616	5.6
235.13327	68.6
235.16974	89.6
235.20595	14.0
236.13744	1.4
253.37239	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.133
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
51.17207	1.4
53.03942	3.7
55.01885	8.0
55.05519	11.1
57.07075	17.5
57.35501	1.4
59.04995	1.7
59.37371	1.7
65.03958	3.8
67.05510	46.8
69.03430	8.4
69.07066	16.0
70.42447	4.2
71.05002	11.7
71.31635	1.6
77.03941	1.7
79.05498	51.3
81.03416	1.5
81.07059	85.0
83.04984	14.2
83.08595	1.9
85.02917	1.6
85.06547	6.4
91.05487	40.1
93.07049	57.1
95.04977	20.0
95.08618	20.5
97.06545	23.4
98.49218	1.4
99.04471	4.4
101.06035	1.8
103.05444	2.9
105.04496	3.0
105.07035	57.1
107.04974	13.2
107.08607	27.2
109.06525	47.1
109.10165	77.2
111.04464	4.7
111.08063	4.7
113.06036	3.2
115.05488	4.9
117.07037	9.7
118.08674	7.0
119.04919	2.8
119.08584	38.0
121.06513	100.0
121.10141	12.0
123.04431	6.8
123.08057	10.2
123.11684	4.5
125.05998	5.5
127.07554	17.5
128.06248	7.1
129.07031	13.1
130.07825	2.7
131.08586	16.8
133.06505	11.0
133.10146	25.4
135.04433	7.5
135.08066	21.1
135.11694	9.1
137.05986	15.6
137.09636	3.7
139.07547	5.8
141.07027	3.9
142.07777	14.0
143.08566	21.3
144.05707	1.5
145.06509	5.0
145.10120	15.9
147.08035	13.4
147.11691	33.9
147.30135	1.4
149.05945	3.8
149.09604	4.6
149.13223	1.8
151.03998	1.8
151.07576	3.2
151.11153	2.2
155.08578	5.5
156.09390	8.1
157.06584	2.4
157.10144	37.9
159.08105	1.8
159.11740	6.0
160.08804	2.1
161.05963	3.7
161.09625	10.8
161.13277	10.6
163.07521	3.5
163.11194	2.1
165.06967	2.2
165.09126	3.8
165.12790	7.3
166.07816	4.5
166.96437	1.7
169.10103	2.1
171.08054	2.9
171.11693	27.3
173.05997	2.0
173.09645	3.5
173.13258	4.6
175.07576	5.5
175.11205	45.9
175.14854	5.4
177.12785	3.7
179.08418	2.0
179.10698	12.5
181.10184	5.9
184.08870	3.3
189.09102	2.6
189.12752	37.1
189.16409	6.5
193.05164	1.9
193.12267	5.5
199.11211	37.7
199.14915	3.4
207.10159	1.5
217.12250	74.8
217.15900	8.8
217.19556	2.8
235.05841	2.0
235.07846	2.1
235.09529	2.8
235.13315	66.1
235.16971	61.2
235.20679	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	234.9172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75957	1.6
52.04254	1.6
52.52560	1.8
58.06596	4.0
70.66415	4.3
94.93018	20.1
96.92819	3.6
108.11821	1.8
117.44749	1.6
118.08662	72.2
119.01952	2.1
131.73965	1.7
136.94029	100.0
139.21732	1.8
147.03255	2.8
206.92017	1.8
218.80681	1.8
235.16924	5.9
242.53416	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.9173
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43713	2.2
69.92547	8.8
84.67531	2.2
88.09581	2.0
88.67640	2.3
94.93018	24.7
96.92851	2.0
99.75803	2.0
100.68575	2.1
105.95994	2.0
118.08662	11.3
118.40334	3.0
134.34328	2.1
136.94032	100.0
136.95085	5.0
138.62155	2.2
167.08253	2.4
179.10696	2.3
194.82533	2.3
211.18207	2.0
235.16833	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	235.1329
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
51.02374	1.0
51.21058	0.7
53.03948	5.8
55.01871	3.8
55.05517	4.7
55.12129	0.6
57.03431	1.0
57.07079	5.2
59.04982	1.2
65.03932	1.7
67.05510	10.2
69.03430	4.5
69.07080	3.4
69.47411	4.7
71.04993	3.3
73.06511	0.7
77.03931	1.8
79.05499	28.8
81.03408	1.6
81.07060	39.5
83.04984	6.2
83.08616	0.9
84.08131	0.6
85.06554	1.9
85.47871	0.6
89.69119	0.7
91.05485	21.7
91.51910	0.7
93.07050	45.1
95.04983	8.9
95.08615	9.8
97.06535	10.1
98.20751	0.9
98.97596	0.9
99.04453	4.4
99.08114	0.8
101.06036	0.9
103.05479	1.7
105.04539	2.1
105.07040	31.9
107.04977	9.3
107.08601	11.4
109.06526	28.4
109.10151	2.9
111.04504	1.2
111.08088	1.6
115.05470	2.8
117.07044	4.6
119.04914	1.9
119.06073	0.8
119.07700	1.0
119.08583	18.7
121.06512	100.0
121.10133	3.6
122.06824	1.1
123.04431	2.9
123.08074	5.2
125.06000	2.3
127.07564	10.0
128.06216	3.2
129.07002	6.8
131.08611	8.7
133.06520	7.4
133.10136	9.6
135.04436	4.7
135.08063	8.8
135.11705	2.3
136.08900	0.7
137.05980	5.4
137.09625	1.1
139.07545	5.9
141.06998	1.5
142.07759	5.5
143.08572	10.4
145.06511	2.6
145.10139	7.0
147.04491	0.8
147.08043	6.4
147.11697	16.6
148.21721	0.6
149.09613	2.0
149.13272	1.6
153.09117	0.6
155.08562	1.6
156.09341	5.5
157.06482	1.9
157.10144	16.5
159.08000	1.1
159.11743	2.9
160.08855	1.1
161.06026	1.9
161.09650	3.9
161.13264	7.6
163.11230	1.3
165.07051	1.9
165.12738	1.7
166.07834	3.4
171.08124	2.1
171.11697	14.9
173.06050	0.9
173.09654	2.3
173.13329	1.1
174.10301	1.0
175.07588	2.3
175.11189	25.9
175.14825	2.3
177.12767	2.1
179.07066	0.8
179.10686	3.0
181.10127	5.1
184.08878	2.4
189.09123	2.2
189.12746	23.0
189.16415	2.3
191.14388	1.1
193.12248	1.0
199.11189	26.1
199.14841	2.4
217.08664	3.6
217.12253	35.2
217.15863	3.6
218.12468	1.0
235.09645	1.6
235.10983	1.4
235.13335	27.2
235.16960	16.4
235.18903	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	233.1537
Annotation	Oculatol
Peak:m/z	Relative Intensity
53.03941	1.7
55.01871	2.3
55.05511	3.0
57.03426	1.2
57.07071	2.1
61.25894	0.6
65.03925	1.7
67.05508	6.5
68.99757	0.8
69.03429	6.8
69.07060	3.2
69.37877	5.2
79.05492	6.7
79.71645	0.7
81.07069	7.0
83.04971	2.4
83.08588	1.0
85.02892	1.0
85.06554	1.7
91.05492	15.6
92.87083	0.7
93.07052	9.6
93.07578	1.2
95.04987	6.0
95.08601	5.3
97.02888	1.5
97.06518	0.9
98.97603	0.7
99.04459	0.7
100.92027	0.7
103.05473	1.5
105.07033	13.4
107.04951	3.2
107.08589	8.8
109.06530	5.1
109.10178	3.7
111.04495	0.7
111.08126	1.0
115.05434	1.4
115.85580	0.7
116.06236	1.3
117.07006	7.0
119.04914	2.9
119.08591	11.4
121.06516	19.9
121.10126	5.8
123.04428	1.7
123.08105	3.8
125.06010	0.9
128.06241	1.4
129.07011	2.9
130.07790	1.5
131.08580	15.6
133.06499	2.7
133.10153	5.3
135.04393	0.8
135.08070	4.3
135.11707	1.8
137.05989	7.7
137.09607	1.0
139.07538	0.9
141.07021	0.9
142.07849	1.1
143.08554	3.1
144.05705	1.3
144.09367	1.8
145.06520	3.9
145.09055	1.4
145.10135	18.7
147.04436	1.0
147.08037	2.7
147.11667	2.5
149.05995	3.4
149.09627	10.4
149.13329	0.8
151.07570	9.7
153.09213	0.8
155.08553	2.8
156.09383	1.3
157.06561	1.2
157.10144	5.2
158.07292	1.5
158.10896	1.6
159.08055	11.4
159.10451	1.2
159.11702	14.3
160.08794	0.9
161.06015	1.5
161.09602	1.7
163.07570	3.5
163.11189	3.9
163.14821	0.9
165.05492	2.1
167.08580	2.1
169.10094	3.7
170.07147	0.7
171.11679	3.3
172.12505	2.1
173.05959	2.1
173.09634	9.1
173.13290	6.6
175.07520	5.1
175.11157	3.6
177.05463	3.0
177.09122	24.8
177.10678	1.2
177.12709	0.8
182.10956	4.9
185.09679	1.5
186.10400	0.7
187.07611	2.0
187.11237	4.5
187.14804	9.9
189.12790	3.4
189.70903	0.7
191.03404	2.5
191.07100	1.2
191.10696	6.7
191.14357	3.3
195.06560	24.9
197.09618	0.8
197.13306	11.6
200.08325	0.9
200.11974	1.5
203.07158	1.2
205.08626	2.3
205.12225	1.7
205.15887	1.6
215.07048	1.0
215.11096	3.4
215.14330	26.6
216.14691	0.8
218.05695	0.9
232.53577	0.7
233.08191	8.1
233.11829	27.0
233.15372	100.0
234.15617	2.2
240.03101	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	Oculatol
Peak:m/z	Relative Intensity
53.03941	2.9
55.01859	2.4
55.05512	6.6
57.07069	4.2
59.05003	2.7
63.76527	1.3
67.05508	10.5
69.03432	20.1
69.07066	4.8
70.29669	2.5
70.30080	3.8
71.01337	1.8
71.04986	6.0
79.05073	2.4
79.05497	32.6
81.07053	13.5
83.04976	4.8
83.08592	4.6
85.02928	1.7
85.06537	5.7
89.78280	1.6
91.05481	29.3
93.07048	21.7
95.04968	28.3
95.08617	10.1
97.06527	4.0
102.41168	1.5
103.05457	3.2
105.04546	1.9
105.06392	2.3
105.07032	27.3
107.04957	38.7
107.08591	21.6
109.02877	1.4
109.06532	7.2
109.10130	8.8
111.08090	4.9
113.05990	3.6
114.39415	1.3
115.05444	3.7
117.07034	10.3
119.04873	1.6
119.08585	85.2
121.06502	8.2
121.10148	15.2
123.08072	4.9
123.11693	4.4
125.09626	2.7
128.06158	2.2
129.06973	6.4
130.07768	4.6
131.04967	1.8
131.08577	25.9
133.06520	7.3
133.10139	15.5
135.08055	7.1
135.11659	2.8
137.05956	2.2
137.09596	10.7
138.15060	1.3
141.06969	2.8
142.07764	4.4
143.08621	7.6
144.05748	2.5
144.09354	3.2
145.06482	10.2
145.09062	2.5
145.10139	39.8
147.08064	37.2
147.11694	16.1
149.09628	18.3
149.13263	3.8
151.07542	3.3
153.05493	2.8
153.06982	2.2
155.08540	10.4
156.09349	5.0
157.06447	3.0
157.10114	14.9
158.07259	4.4
158.10921	2.6
159.04379	4.2
159.08046	12.0
159.11699	12.9
160.08780	2.9
161.09647	4.4
161.13268	4.3
163.07651	1.6
163.11212	7.7
163.14813	2.9
167.08525	4.0
169.10138	4.3
171.11697	4.4
172.08829	2.3
172.12502	2.5
173.05991	8.8
173.09604	14.4
173.13290	17.2
174.06764	2.1
175.07571	2.4
175.11191	17.6
177.05449	2.6
177.09125	8.0
178.06245	2.0
182.10870	7.3
183.08046	4.0
187.07559	4.0
187.11234	8.2
187.14821	16.8
189.12732	7.5
191.03421	5.5
191.06993	6.8
191.10721	3.3
191.14313	41.3
192.07820	2.9
195.06551	5.9
197.13237	10.6
200.08209	1.6
200.11815	1.9
201.09128	6.9
205.08554	1.6
205.15895	4.5
215.10660	13.2
215.14285	19.7
233.08118	3.3
233.11868	22.2
233.15366	100.0
233.23056	5.8
234.15919	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03945	2.7
55.01628	0.8
55.01853	3.4
55.05519	3.8
57.03418	1.0
57.07069	1.1
65.03934	1.4
66.04771	0.8
67.01862	1.2
67.05508	14.5
69.03436	6.8
69.07073	4.8
69.55998	0.8
70.54308	0.7
71.04984	1.7
71.09241	0.7
71.50501	1.2
79.05501	11.4
81.03427	2.4
81.07068	11.9
83.04986	3.0
83.08622	1.9
85.02905	2.1
85.06540	1.1
91.05487	17.6
93.07053	14.2
95.01321	1.1
95.04964	8.1
95.08610	18.7
97.02898	2.4
97.06551	5.5
99.04462	1.0
103.05473	2.7
105.07043	23.8
107.04951	8.9
107.07884	1.0
107.08607	13.4
108.05759	1.1
109.06527	7.6
109.10168	10.2
111.04465	9.2
111.08109	1.7
113.02332	0.9
115.05453	4.2
116.06271	1.3
117.07024	14.3
119.04949	2.1
119.07800	1.2
119.08585	12.7
121.06507	10.5
121.10165	7.3
122.07277	0.9
123.04457	6.3
123.08082	26.4
123.11690	5.4
125.05996	1.1
128.06221	6.7
129.07025	10.7
130.07814	3.3
131.04935	2.2
131.08585	18.4
133.06505	5.7
133.10139	10.7
135.04439	5.2
135.08066	10.2
135.11697	9.7
137.05986	8.8
137.09677	2.3
141.07004	7.4
142.07762	2.4
143.08588	9.2
144.09332	4.2
145.06494	8.7
145.10132	22.5
146.07286	0.7
147.04408	1.5
147.08075	11.0
147.11684	3.4
148.08823	1.4
149.05989	3.8
149.09634	7.1
149.13258	1.7
151.07553	100.0
152.07828	1.1
153.06990	1.8
154.07785	7.3
155.08528	4.7
156.09328	1.9
157.06503	3.0
157.10135	4.6
158.07275	4.5
158.10927	0.9
159.04477	0.9
159.08089	9.0
159.11703	21.0
161.06021	1.4
161.09634	13.3
161.13272	1.5
163.03848	2.2
163.07568	3.5
163.11191	2.2
165.05479	0.9
165.09138	2.3
167.08549	1.5
169.10152	17.2
171.08076	2.4
171.11694	2.6
172.08893	2.9
173.05983	2.5
173.08121	0.8
173.09630	18.5
173.13278	3.5
175.07556	3.2
175.11163	7.1
177.09122	20.6
177.12614	3.5
179.08624	1.4
182.07278	0.8
186.10440	1.2
187.07567	2.1
187.11194	34.1
187.14807	5.7
189.09125	2.2
189.12804	2.6
191.07031	1.6
191.10670	5.0
191.14331	8.1
197.09639	4.8
197.13297	1.3
203.08734	1.0
205.08681	1.0
205.12228	6.8
205.15852	2.1
215.10706	28.6
215.14217	10.7
233.07974	2.0
233.11742	46.5
233.15385	98.4
234.15697	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	233.1537
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
53.03949	3.2
55.01853	3.3
55.05513	7.8
56.96565	2.3
57.07051	2.8
65.03914	2.1
67.05507	15.8
67.32695	1.4
69.03413	6.9
69.07069	11.7
69.96897	7.9
75.14899	1.4
77.07423	1.6
79.05498	33.8
81.06584	2.8
81.07058	40.2
83.04958	2.0
83.08598	4.2
87.62801	1.7
91.03636	1.5
91.05479	31.9
93.07049	32.8
95.04965	4.8
95.08614	40.4
97.06522	2.6
97.10157	1.5
103.05479	2.4
105.04539	3.0
105.07037	52.0
107.04968	19.5
107.08601	27.0
109.06517	6.9
109.10187	9.7
111.08085	3.5
115.05446	3.6
116.06220	2.0
117.07021	16.2
119.04901	4.6
119.08594	32.1
121.06525	14.2
121.10146	15.3
123.08063	4.9
128.06253	2.9
129.06987	4.3
130.07782	3.3
131.04956	2.0
131.08582	45.2
133.06531	8.1
133.10136	18.9
135.08072	14.9
135.11691	2.8
137.05988	9.7
139.07576	3.3
141.06985	4.2
143.08559	5.4
144.09299	2.9
145.06459	5.4
145.09074	3.0
145.10139	44.2
147.08038	5.8
147.11710	15.5
149.05981	3.9
149.09663	10.5
151.07530	15.9
155.08540	5.1
156.09352	3.3
157.10127	7.6
158.07272	1.9
158.10858	3.0
159.08083	11.2
159.10468	2.7
159.11703	36.7
161.05992	1.9
161.09583	2.5
161.13268	18.1
163.07570	20.7
163.11218	2.8
165.09077	4.1
167.08591	2.4
169.10117	5.5
171.11673	3.1
173.09689	8.1
173.13268	7.8
175.11189	4.9
177.09119	35.4
182.10939	4.5
187.11356	7.7
187.14838	91.5
189.12709	2.5
189.16447	1.7
191.10745	9.2
191.14316	23.3
197.13327	10.5
205.12212	3.7
205.15921	6.4
215.07043	1.7
215.10864	2.8
215.14319	34.1
233.08104	3.9
233.11977	10.6
233.15375	100.0
233.19104	2.6
234.15758	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	233.1539
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03940	2.6
55.05494	3.9
57.07069	2.0
65.37794	0.9
66.67173	1.0
67.05488	3.0
69.03433	6.2
69.07054	0.9
70.17374	2.1
70.17788	2.9
73.94968	0.9
77.03928	1.4
79.05495	48.5
81.07055	5.4
83.04969	1.6
83.08611	4.0
85.06530	3.4
86.81271	1.2
91.05479	7.4
93.07050	6.8
95.04950	4.9
95.08595	3.3
97.06503	2.4
105.04527	1.4
105.07030	10.8
107.04959	54.8
107.08591	12.0
109.06499	2.4
109.10138	1.8
111.08073	4.3
117.07009	3.2
119.08574	12.0
121.06509	4.4
121.10131	6.0
123.08006	2.0
125.09636	2.9
129.06998	2.6
130.07816	1.8
131.08583	11.8
133.10155	8.0
135.08044	3.6
137.09627	6.0
142.07762	3.2
143.08549	2.7
144.09302	1.1
145.06448	1.1
145.10127	13.3
147.08060	14.3
147.11673	13.9
149.06000	1.0
149.09607	8.1
149.13257	3.3
151.07491	2.0
153.09093	1.2
157.10144	6.0
158.10905	2.8
159.07971	1.5
159.11681	2.9
160.08862	1.9
161.09581	1.8
163.11171	5.4
163.14763	1.0
169.10202	1.3
171.11703	1.8
173.09634	1.6
173.13272	10.3
175.11205	19.1
177.09163	5.6
182.10805	1.1
187.14832	3.4
189.12775	3.7
191.14316	63.6
197.13290	1.1
205.12318	0.9
215.14282	6.7
220.41393	1.2
233.11641	3.8
233.15369	100.0
234.15686	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03932	1.7
55.01847	2.3
55.05500	6.7
56.66632	1.5
57.07065	6.1
57.07325	1.5
58.44249	1.3
59.05003	3.3
67.05506	11.4
67.69570	1.4
69.03436	19.9
69.07059	5.5
69.70855	9.4
71.04984	3.9
79.05495	42.4
81.07060	9.6
83.04974	5.4
83.08588	4.7
85.06533	5.4
91.05487	24.9
93.07046	17.0
95.04981	26.6
95.08601	10.2
97.06520	3.3
103.05496	3.4
105.07033	24.2
107.04963	37.7
107.08601	25.6
109.06516	7.7
109.10138	7.2
110.38323	1.7
111.08097	3.0
113.05997	3.4
115.05470	5.4
116.06274	1.9
117.07027	12.4
119.08583	97.4
120.08891	2.2
121.06523	9.0
121.10142	15.7
123.08059	4.4
123.11726	3.8
125.09618	2.3
128.06232	3.4
129.07005	6.6
130.07758	2.9
131.08571	26.7
133.06485	6.6
133.10133	16.4
135.08009	7.8
135.11659	4.3
137.05978	4.0
137.09657	10.8
141.07008	4.6
142.07755	4.9
143.08549	7.3
144.05725	2.0
145.06468	8.9
145.10132	34.3
147.08055	41.3
147.11702	13.9
149.09645	17.5
149.13251	1.9
151.07550	3.1
151.11156	1.9
153.05518	3.0
153.07039	2.2
155.08537	7.0
156.09360	4.0
157.06517	1.6
157.10124	16.0
158.07283	4.5
158.10905	5.4
159.04466	2.5
159.08031	8.0
159.11719	12.2
159.94653	1.7
160.05110	3.0
160.08893	1.8
161.09634	4.2
161.13223	3.3
163.07423	1.8
163.11185	7.4
167.08589	3.5
169.10117	8.0
171.11777	3.6
172.08812	2.1
173.05968	6.0
173.09630	11.8
173.13245	15.4
174.06664	2.8
175.11205	15.4
177.09138	10.2
178.76646	1.5
182.10962	5.2
183.08078	1.7
185.09718	2.3
187.07596	2.9
187.11214	10.1
187.14836	13.4
189.12778	6.0
191.03391	4.0
191.07059	4.1
191.10649	3.5
191.14313	42.6
197.13280	6.6
201.09160	5.6
205.15915	3.9
215.10747	11.0
215.14270	19.2
233.11867	19.4
233.15378	100.0
233.23033	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	233.1537
Annotation	Nootkatin
Peak:m/z	Relative Intensity
55.05502	1.5
57.07064	1.1
64.09934	0.7
67.05515	5.0
67.52591	0.8
69.03429	2.3
69.07060	1.9
70.67657	1.9
70.67990	0.9
71.08635	2.5
79.05486	1.4
81.07053	3.3
83.01338	1.3
83.08619	1.5
85.10152	1.3
85.85919	0.8
86.89745	0.9
91.05476	2.3
93.07029	1.2
95.08604	4.8
97.02901	1.9
99.71674	0.9
104.34895	0.9
104.54250	0.9
105.07031	3.5
107.08621	1.9
109.06538	4.5
109.10157	6.1
119.08572	0.8
121.06511	23.3
121.10165	1.6
123.08087	3.8
131.08586	4.2
133.06487	2.5
135.08087	3.0
137.05991	28.4
144.05675	1.0
145.10107	2.4
149.09627	20.5
151.07556	44.3
158.07329	1.9
159.08133	4.8
159.09242	1.0
161.05922	1.4
162.06786	3.8
163.07562	10.2
163.11142	1.6
173.09625	9.4
174.00230	0.8
175.07567	1.2
176.08348	2.4
177.09122	100.0
178.09460	2.1
186.10335	0.9
187.11151	0.9
187.16510	0.9
191.10681	21.7
215.14377	4.4
233.15382	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	233.1538
Annotation	Nootkatin
Peak:m/z	Relative Intensity
51.43382	0.5
53.03935	0.6
55.05512	1.1
57.07073	2.1
66.54131	0.5
67.05513	5.0
69.03428	1.9
69.07064	1.9
69.46413	3.8
69.85904	0.6
71.08636	2.9
79.05508	1.9
81.07063	3.3
83.01340	2.5
83.08619	1.2
85.27695	0.6
91.05477	3.0
93.07068	1.1
95.08602	4.0
97.02897	3.2
105.07043	2.8
107.04955	1.4
107.08595	1.8
109.06535	4.1
109.10170	5.7
111.04449	0.8
117.07053	1.1
121.06518	21.6
121.10134	1.1
122.82925	0.6
123.04496	0.6
123.08096	3.8
123.11719	0.7
130.07753	0.7
131.08578	3.6
133.06511	1.0
133.10078	0.7
135.08073	3.8
135.11725	1.4
137.05989	22.6
141.06960	0.8
144.05701	1.0
145.06522	0.8
145.10121	3.7
147.08046	1.3
149.05994	1.2
149.09644	16.9
151.07556	32.5
152.07933	0.6
155.08586	0.9
157.10204	0.6
158.07274	1.9
159.08073	4.3
159.11748	0.8
161.05951	1.6
161.09656	1.2
162.06752	4.1
163.07561	8.8
163.11157	1.2
165.09131	1.0
173.09644	10.9
176.08371	1.7
177.09122	100.0
178.09445	2.1
186.10402	0.7
187.11195	1.6
187.14748	0.7
191.10683	21.5
197.69069	0.6
215.14282	4.7
233.15382	32.3
242.64601	0.6
254.77422	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1497
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
52.67617	0.5
56.05041	16.9
56.96565	6.7
57.03444	3.1
58.06602	4.2
67.05505	0.9
68.05056	0.7
69.03437	1.0
69.07078	0.8
69.45287	0.8
69.45695	2.6
70.06589	1.1
72.08157	0.8
73.02924	0.6
74.06084	100.0
75.04459	0.5
75.06476	0.5
77.82925	0.4
83.04994	0.8
84.04504	3.8
84.08141	0.5
84.96053	0.9
85.02902	0.7
86.09708	25.1
90.37848	0.5
91.05473	1.1
93.07066	0.5
95.08614	0.6
97.02932	0.7
98.97610	2.9
100.99164	0.7
101.00903	1.7
101.02353	0.8
101.07158	1.9
105.07088	0.4
110.97589	1.1
112.99168	0.5
115.03911	1.0
116.98627	1.2
117.07034	0.6
118.06203	0.5
119.01947	1.7
121.90804	0.5
128.98631	1.0
132.10211	16.2
132.11188	0.9
132.95847	0.6
133.03488	0.8
136.24866	0.4
139.66237	0.5
142.12303	1.0
143.00087	0.6
143.11848	0.5
144.98071	0.6
145.03482	1.9
145.06520	0.5
146.99623	1.2
150.96906	0.8
158.99718	1.2
159.11668	0.7
161.03064	0.9
162.05449	0.8
162.96834	0.5
162.99188	0.9
163.04642	0.7
165.00754	0.6
169.13397	1.7
172.97632	0.7
173.03101	0.9
175.04538	0.9
177.00694	0.5
187.14435	9.5
190.98700	1.6
191.02390	0.5
191.04076	1.7
208.99776	2.1
215.13870	4.1
233.08217	1.4
233.12604	0.8
233.15012	8.6
243.98096	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
50.35314	1.3
53.03950	3.0
55.01857	4.6
55.05511	8.1
56.96580	1.3
57.03434	3.3
57.07063	4.6
58.42896	1.3
63.11710	1.4
65.03934	2.5
67.05508	18.1
69.03429	19.3
69.07079	9.4
70.63939	1.5
70.64275	4.1
71.04990	9.9
71.08609	1.5
79.05491	18.5
81.03399	4.4
81.07067	16.5
83.04969	3.8
83.08618	2.0
85.02891	1.5
85.06541	4.5
88.07645	1.4
91.05483	40.3
93.07050	21.4
95.04978	15.2
95.08616	12.4
97.06522	6.0
97.10181	1.3
99.04465	17.4
103.05465	6.0
105.07033	59.7
107.04958	10.5
107.08591	12.2
109.02860	1.3
109.06512	6.2
109.10149	9.4
111.04444	2.0
111.08092	1.9
113.06004	2.5
115.03914	1.6
115.05449	8.9
116.06229	3.8
117.07030	32.6
119.04958	11.7
119.08588	32.4
121.06510	27.1
121.10108	4.7
123.04370	2.1
123.08102	3.6
125.06001	1.9
127.07494	1.7
127.11184	2.9
128.06221	10.4
129.07007	17.9
130.07780	10.5
131.04933	9.2
131.08577	45.5
133.02861	1.7
133.06442	6.5
133.10146	15.8
135.04407	4.2
135.08041	9.9
135.11682	4.6
137.05995	9.5
137.09625	2.9
141.07043	7.3
141.37187	1.3
142.07764	6.2
143.08582	14.0
144.05722	4.0
144.09375	11.3
145.02867	1.9
145.06493	25.0
145.10127	100.0
146.10439	1.6
147.04454	2.5
147.08061	9.5
147.11664	9.9
148.08890	1.4
149.05991	5.6
149.09616	7.7
149.13301	2.1
151.03917	2.8
151.07536	8.3
153.06995	3.0
154.07808	8.0
155.05954	2.0
155.08571	6.3
156.09309	3.7
157.06488	3.6
157.10150	8.9
158.07236	10.1
159.04430	3.7
159.08066	18.0
159.11697	63.1
161.05998	2.1
161.09641	5.6
161.13268	4.3
162.06735	1.6
163.07532	7.6
163.11186	13.5
169.10155	20.9
171.08060	3.5
171.11768	6.7
172.05226	2.8
172.08850	7.0
173.05997	6.2
173.09627	88.0
173.13197	8.2
174.06776	3.4
175.07552	5.8
175.11165	5.5
177.05499	3.8
177.09106	23.6
177.12775	3.9
179.03433	2.7
179.08580	2.4
182.07208	1.8
185.09572	1.7
187.07571	5.6
187.11197	83.7
187.14799	14.9
188.11600	1.8
189.09119	6.0
189.12759	4.0
189.16351	1.9
190.06381	1.4
191.03400	33.0
191.07018	2.1
191.10677	12.8
191.14304	4.1
197.09642	13.2
197.13283	4.6
201.05565	2.3
203.14391	1.6
205.08641	2.8
205.12213	12.6
205.15898	1.6
215.07065	5.6
215.10681	62.6
215.14044	11.8
215.17998	3.8
233.08185	23.4
233.11734	53.7
233.15372	51.5
233.18788	7.3
233.22171	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	233.0059
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26357	45.2
70.26756	46.0
79.42925	22.3
94.93015	100.0
96.92820	92.3
101.00870	38.8
112.95873	22.2
119.01917	30.6
122.56728	22.7
132.97794	23.8
133.03439	36.3
145.03447	49.3
157.03438	27.5
173.02885	33.4
175.04581	29.0
191.03981	74.0
224.61064	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	231.1706
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
50.17134	0.2
51.86706	0.2
52.52257	0.2
53.03949	0.7
55.05516	11.9
56.05035	0.4
57.05817	0.9
64.85476	0.2
69.03435	2.2
69.07076	0.5
70.06592	0.4
70.37128	0.7
70.37486	0.3
71.04994	0.5
72.08161	100.0
73.08496	0.6
79.05505	0.4
81.03429	0.7
81.07087	1.2
83.04978	0.2
83.08626	0.3
84.08156	0.8
85.02934	0.7
85.08437	0.3
86.09718	5.9
91.05483	1.3
95.08606	0.2
97.02929	0.3
98.97604	0.4
98.98431	0.2
99.04480	0.5
103.05467	0.2
105.07061	0.9
107.04985	0.3
107.08619	0.7
108.50490	0.2
109.02908	0.3
109.06527	0.5
117.07046	0.6
119.08621	0.8
121.02874	0.3
121.06530	1.0
123.08081	0.3
128.06265	0.7
129.07019	0.4
129.10269	0.3
131.08586	0.5
132.10219	3.7
133.06532	0.3
133.10168	0.3
135.04442	0.3
135.08115	0.6
137.05991	1.5
142.07799	0.7
143.08580	1.6
145.06502	0.3
145.10176	0.6
147.08086	0.4
157.06552	0.3
157.10133	1.3
159.08049	0.4
159.11731	0.4
161.06029	1.0
161.09712	1.1
171.08170	0.6
171.11703	0.4
173.09665	0.8
174.06873	0.8
175.07565	4.6
175.11185	0.3
176.08316	0.4
185.09680	0.6
185.13278	1.5
185.16576	0.9
188.08429	0.7
189.09116	3.9
189.12787	0.3
201.09244	0.3
202.09979	0.7
203.07137	0.2
203.14368	0.4
213.12688	1.4
213.16437	0.3
216.11430	0.4
231.03070	0.3
231.06642	0.8
231.10323	0.6
231.13905	8.6
231.17198	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	231.1383
Annotation	Kauniolide
Peak:m/z	Relative Intensity
53.03942	3.3
55.05511	9.0
58.53339	2.9
67.05503	8.4
69.07080	5.0
70.34768	8.6
79.05493	15.2
81.07070	20.6
81.66660	2.7
91.05488	30.8
93.07059	19.8
95.04964	2.5
95.08612	14.4
103.05455	3.4
105.04459	2.8
105.07030	33.7
107.08627	12.6
111.08044	3.0
115.05467	2.8
115.42602	2.5
117.07042	21.4
119.08575	24.2
121.06504	4.6
121.10112	3.3
128.06235	16.6
129.07025	26.7
131.08582	36.8
133.06453	4.2
133.10146	8.0
135.07935	2.8
137.06003	8.2
141.06979	3.3
142.07773	19.6
143.08575	63.2
144.09340	3.7
145.10132	28.2
146.10979	4.6
147.08046	8.7
149.05983	4.5
151.07567	4.5
155.08542	8.1
156.09334	9.3
157.06511	4.6
157.10138	40.4
159.11705	27.0
161.05890	3.0
161.09645	5.3
165.07007	3.9
170.10905	11.8
171.08037	7.7
171.11757	6.5
175.07602	16.3
185.09663	4.5
185.13271	100.0
186.13820	2.6
187.14868	8.9
189.09128	11.9
189.11259	2.6
195.11711	8.0
203.10669	3.8
203.14290	5.6
213.12735	20.7
231.10101	5.7
231.11775	5.5
231.13828	98.2
232.14056	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	231.1382
Annotation	Sugikurojinol B
Peak:m/z	Relative Intensity
52.42010	0.7
55.05527	3.1
57.07057	1.0
62.15525	0.6
62.87750	0.7
69.03432	6.6
69.07066	5.2
71.09545	1.5
72.08134	0.9
79.05498	2.0
81.03420	2.2
81.07056	1.2
83.08607	1.3
85.02894	2.4
91.05492	3.2
93.07049	0.8
95.08591	1.7
97.02888	1.5
98.49474	0.6
105.07040	5.3
107.04961	1.0
107.08595	3.5
109.02885	0.8
109.39745	0.7
115.05457	1.0
116.18790	0.6
117.07017	1.6
119.04987	1.1
119.08601	3.2
121.06511	1.5
123.04430	0.9
126.08047	0.8
127.03967	1.2
128.06226	5.9
129.06998	2.7
131.04886	0.9
131.08565	1.0
133.06461	1.1
133.10156	3.0
137.06003	7.1
140.76300	0.6
143.08575	12.2
145.06499	2.8
145.10150	3.2
146.07185	1.1
147.08043	3.9
151.07616	1.3
155.06055	0.6
157.06474	1.7
157.10153	1.5
158.07275	0.9
159.08109	2.5
160.05223	1.7
160.08836	1.0
161.06015	6.7
161.09648	9.7
163.07574	0.8
171.08061	6.5
173.05934	1.5
173.09621	0.8
174.05267	1.0
174.06786	22.7
175.07567	34.8
176.08344	16.5
177.09074	1.4
185.13242	1.2
187.07605	2.1
187.11203	1.1
188.08337	20.0
189.09122	100.0
190.09554	1.3
201.09134	1.9
202.09891	6.9
203.10655	3.6
203.14362	1.7
213.12761	1.7
216.11555	3.1
216.13310	0.8
231.13824	71.5
232.14156	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1379
Annotation	Stevisamolide
Peak:m/z	Relative Intensity
51.02381	0.7
52.50608	0.8
53.03952	1.5
55.01881	3.6
55.05510	6.0
55.28271	0.7
57.03418	0.8
67.05487	2.7
69.03098	0.7
69.03433	12.3
69.07085	4.7
69.41064	1.4
69.41472	3.2
71.04985	1.4
77.03922	0.9
77.27621	0.6
79.05061	1.1
79.05492	13.0
81.03391	2.0
81.07062	14.4
83.04990	1.7
85.02895	1.9
91.05482	12.5
93.07046	7.7
95.04960	2.1
95.08604	6.3
97.06527	1.2
98.20689	1.5
102.96522	0.8
105.07036	27.4
107.04971	4.4
107.08601	15.4
109.02879	1.0
109.06520	4.1
109.10209	0.6
115.05452	1.9
117.07023	4.3
119.04909	1.1
119.08591	24.1
121.06509	5.8
121.10136	6.6
123.08049	4.6
125.05998	1.0
128.06229	7.1
129.07011	10.1
130.07785	1.2
131.08577	7.8
133.06517	3.9
133.10139	17.8
134.10420	0.7
135.08054	18.0
137.05988	2.4
141.07047	3.4
142.07787	23.2
143.08563	32.1
144.09268	1.1
145.06488	2.1
145.10133	11.1
146.07230	2.1
146.10806	0.6
147.08054	10.2
147.11699	14.0
149.09596	2.4
151.07587	1.3
155.08543	4.4
156.09360	8.2
157.10132	70.1
157.65077	0.7
158.10913	16.9
159.08105	3.3
159.11690	6.9
160.08813	1.3
161.05971	2.0
161.09625	19.8
161.13287	3.9
163.07544	1.3
165.06996	1.0
169.10124	1.8
170.10930	8.6
171.08018	3.8
171.11703	4.2
172.08768	0.8
173.09579	5.5
173.13202	1.3
174.06720	2.0
174.10406	1.6
175.07568	7.5
175.11197	17.2
175.14819	15.1
177.09145	0.7
177.12729	0.9
180.09329	1.9
183.08054	1.0
185.13271	58.3
186.13837	1.3
187.11267	1.2
187.14786	2.5
188.08333	1.1
189.09105	10.6
189.12758	1.4
195.11668	3.5
198.10358	3.7
201.09171	0.8
202.09854	0.8
203.14319	34.3
213.12755	14.6
229.12398	0.8
231.13811	100.0
232.14169	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	231.1381
Annotation	Stevisamolide
Peak:m/z	Relative Intensity
51.57325	1.0
52.83406	1.0
53.03938	2.2
55.01859	1.6
55.05511	6.0
57.03416	1.7
57.07066	1.4
65.03927	1.5
67.05516	5.2
69.03426	4.0
69.07079	7.9
70.06332	5.4
77.03936	1.5
79.05496	11.0
81.07059	18.8
82.07442	1.0
83.04960	1.6
91.05489	20.0
93.07044	14.8
95.04972	2.4
95.08600	11.5
98.20708	1.2
103.05438	2.9
105.04573	1.3
105.07039	28.2
107.04987	1.5
107.08621	9.3
109.06517	3.2
109.10125	1.7
111.04464	1.2
115.05465	3.9
116.06292	1.8
117.07014	13.4
119.04944	2.4
119.08586	23.3
121.06489	5.7
121.10143	2.8
123.04430	1.8
124.80862	1.4
128.06235	16.3
129.07014	22.9
130.07771	4.8
131.08565	27.1
133.06479	2.7
133.10138	8.1
135.08075	2.8
137.05983	11.4
141.06996	4.3
142.07785	16.0
143.08566	54.2
144.09311	3.4
145.06456	3.7
145.10144	28.2
146.10934	1.7
147.08044	7.6
147.11728	2.5
149.05945	2.5
151.07542	3.6
154.07722	1.2
155.08565	9.1
156.09354	8.1
157.06522	8.2
157.10133	36.0
159.08051	4.1
159.11713	26.8
161.05997	5.8
161.09633	8.4
163.07538	3.6
165.07010	3.9
169.10081	1.8
170.10892	11.8
171.08089	10.0
171.11693	3.5
172.08768	1.2
173.09608	2.1
174.06688	2.4
175.07538	27.3
175.11208	1.9
175.14821	1.5
177.09106	1.6
180.09390	4.4
183.08023	2.3
183.11687	2.4
185.09656	5.0
185.13266	89.4
186.13861	1.6
187.14778	6.2
189.09132	18.8
195.11760	11.4
198.10422	3.5
202.09917	2.9
203.10612	3.6
203.14359	7.6
213.12746	23.0
216.11449	1.9
231.10522	6.1
231.13817	100.0
231.25195	1.4
232.14215	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1382
Annotation	Sugikurojinol B
Peak:m/z	Relative Intensity
53.03938	1.0
55.05501	3.2
57.07072	3.0
69.03442	4.9
69.07076	8.7
70.35095	3.2
70.35451	1.6
79.05487	3.9
81.03425	1.3
81.07047	3.5
91.05481	4.8
93.07030	1.6
95.08603	1.1
97.02906	0.8
103.24149	0.9
103.51257	1.0
105.07050	5.3
107.08579	4.9
109.06516	1.6
117.06992	2.6
119.08574	4.2
121.06490	1.8
128.06224	6.4
129.07004	5.1
130.37799	1.1
132.05621	0.9
133.06468	1.5
133.10104	2.3
137.05988	19.6
143.08565	13.5
145.06511	3.7
145.10138	2.7
145.59277	1.1
146.07219	1.8
147.08080	7.4
151.07579	2.2
157.06531	3.1
157.10097	2.7
159.08028	3.5
160.05202	7.4
161.05991	11.4
161.09633	10.0
163.07567	2.0
171.08047	7.1
173.09625	2.4
174.06770	25.0
175.07561	72.3
176.08351	10.0
177.09119	3.1
185.13257	1.8
187.07567	4.1
187.10948	1.0
188.08308	18.1
189.09126	84.3
201.09109	4.5
202.09926	17.2
203.10651	4.2
203.14304	1.8
215.10692	2.4
216.11484	7.2
229.12184	1.2
231.13817	100.0
232.14253	2.4
244.54660	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1381
Annotation	Kauniolide
Peak:m/z	Relative Intensity
53.03939	2.6
55.05504	4.7
55.95065	1.3
65.03939	2.3
67.05502	10.9
69.03428	5.6
69.07068	6.9
69.83769	6.3
74.84464	1.4
76.53103	1.1
77.03926	1.5
79.05507	11.8
81.07059	15.7
83.04933	1.4
91.05481	16.0
93.07047	22.5
95.04977	3.5
95.08613	24.7
105.07040	29.3
107.04968	2.5
107.08612	14.6
109.06512	5.4
109.10170	11.2
115.05468	3.0
117.07002	8.3
119.04918	1.4
119.08583	17.8
121.06477	9.0
121.10142	22.2
122.10884	2.3
123.04439	3.3
123.08066	4.4
128.06241	6.3
129.06998	9.6
130.07727	1.6
131.08586	16.2
133.06467	3.8
133.10109	12.3
135.04439	2.2
135.08057	5.4
137.05971	6.3
142.07840	6.2
143.08568	22.2
144.09369	2.2
145.06454	1.8
145.10107	20.3
146.10918	4.9
147.04468	1.7
147.08102	9.5
147.11649	3.4
149.05984	5.2
151.07568	2.8
155.08537	3.3
156.09334	5.4
157.06540	3.0
157.10132	16.5
158.07301	1.6
159.08057	2.9
159.11720	10.7
161.05972	6.7
161.09636	17.1
161.13232	5.1
163.07544	3.9
165.07036	2.1
170.10875	6.0
171.08067	7.0
171.11665	5.8
172.08781	2.9
173.09596	4.8
174.06789	3.3
175.07561	16.6
175.11189	2.6
175.14833	3.7
177.09157	1.3
180.09351	1.5
183.08026	1.5
183.11742	1.5
185.09714	2.8
185.13264	32.9
187.11189	4.7
189.09113	14.5
189.12746	5.6
195.11630	6.0
198.10454	3.5
202.09955	2.5
203.10657	2.6
203.14308	11.5
213.12759	17.5
216.11423	1.8
216.53207	1.2
227.83638	1.2
231.13812	100.0
231.25114	7.5
232.14195	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1382
Annotation	Sugikurojinol B
Peak:m/z	Relative Intensity
51.44294	0.7
52.23456	0.7
52.48536	0.6
53.03941	1.1
53.18581	0.7
54.05965	0.7
54.52769	0.7
55.05511	2.1
57.07059	2.6
69.03439	6.1
69.07078	6.4
70.37388	2.5
72.08154	1.0
75.94048	0.8
76.34113	0.7
76.34552	0.7
79.05476	2.6
81.03412	2.3
81.07050	2.7
85.02900	1.1
91.05474	4.6
93.07033	1.3
95.08603	1.4
97.02922	1.0
99.04454	1.0
105.07024	4.3
107.08591	2.8
109.06506	1.1
119.04941	1.0
119.08616	4.7
121.06473	1.9
123.04447	1.0
127.03910	0.9
128.06232	4.8
129.07028	3.8
131.08525	1.3
133.10106	2.9
136.06319	0.8
137.05992	15.8
143.08572	11.0
145.06488	3.3
145.10133	2.8
146.07275	1.0
146.63258	0.7
147.08054	6.0
151.07544	1.6
157.06493	2.6
157.10164	2.2
159.08095	3.7
160.05247	5.5
160.08838	1.4
161.05992	10.9
161.09663	7.2
171.08051	5.8
173.06004	1.9
173.09584	1.8
174.06778	18.2
175.07564	65.1
176.08321	9.7
177.09119	1.8
185.09576	0.9
185.13220	1.4
186.46494	0.8
187.07564	3.6
188.08345	16.5
189.09120	72.2
190.09509	2.1
198.79889	0.8
201.09146	4.2
202.09886	15.2
203.10675	3.8
203.14426	0.9
213.12523	0.9
215.10661	1.0
216.11456	5.8
231.13815	100.0
232.14171	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1381
Annotation	2,7-dihydroxycadalene
Peak:m/z	Relative Intensity
53.03934	0.9
55.05505	1.7
57.03442	2.1
67.05496	0.7
68.99781	0.5
69.03098	0.6
69.03439	8.6
69.07070	2.1
70.38933	1.5
71.04996	1.4
79.05484	1.0
81.03422	2.2
81.07037	1.0
85.02914	2.8
85.65394	0.5
87.00829	0.7
91.05478	1.2
93.07025	0.5
95.08596	1.2
97.02899	1.5
99.04445	1.5
105.07051	2.9
107.04969	0.6
107.08607	2.7
109.02880	1.1
109.06509	0.8
109.71199	0.4
117.07050	0.7
119.04967	0.4
119.08572	1.8
121.06509	2.3
127.03948	2.3
128.06206	1.8
129.06999	1.6
131.08556	1.6
133.06477	1.0
133.10149	2.0
135.08026	1.0
137.05003	0.7
137.05986	7.2
141.06973	0.5
142.07758	0.7
143.08574	4.2
145.04984	0.4
145.06458	0.9
145.10135	1.8
147.08066	2.6
149.09612	1.1
151.07526	1.2
155.08588	0.5
155.66902	0.4
156.09317	0.5
157.10132	1.8
158.07327	0.9
159.08089	5.0
159.11650	0.4
160.05206	0.8
161.05994	10.0
161.09627	8.4
163.07574	2.1
171.08095	2.0
172.08849	1.0
173.09662	2.5
174.06796	4.7
174.10382	1.7
175.07559	22.1
175.11166	1.0
176.08330	4.6
177.09128	4.7
185.09674	0.5
185.13271	1.3
187.07584	1.3
188.08340	3.0
189.09119	20.2
189.12756	0.6
190.09778	0.8
195.11832	0.5
198.10368	0.6
201.09065	1.3
202.09904	2.0
203.10634	0.8
203.14320	3.1
213.12762	1.6
215.10744	0.9
216.11464	3.1
229.12273	2.0
231.13818	100.0
232.14157	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	231.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	13.1
55.01873	5.5
55.05502	5.3
55.05733	1.2
56.55329	1.2
57.03426	5.2
57.07085	1.6
61.02921	1.3
67.05500	3.2
68.03237	1.2
68.99789	2.9
69.03436	100.0
69.07072	8.1
71.01372	1.5
71.04996	13.5
71.51671	1.4
78.51490	1.2
79.05502	8.1
81.03423	58.4
81.07082	8.0
83.01340	5.4
83.04975	1.9
83.08604	1.5
85.02913	40.6
87.00836	22.7
91.05484	13.3
93.07034	8.6
95.04981	2.2
95.08624	6.3
97.02898	22.5
97.06549	1.8
98.98458	2.1
99.03843	2.4
99.04459	30.6
103.05496	1.7
105.01809	2.8
105.07040	15.0
107.08604	8.6
109.02883	18.1
109.06503	2.3
115.05463	4.2
117.07043	5.6
119.08592	11.4
121.06509	3.6
121.10153	3.1
127.03925	31.9
128.06245	12.1
129.07014	17.0
130.07764	1.9
131.04895	1.4
131.08572	8.3
133.06490	3.1
133.10149	10.5
135.04436	1.3
135.08055	2.8
137.05992	9.7
141.06976	5.1
142.07793	26.6
143.08575	25.0
145.04990	2.9
145.06490	4.9
145.10121	10.1
147.04381	1.7
147.08052	5.8
147.11676	4.4
151.07565	2.7
153.06970	2.3
155.08580	3.7
156.09358	4.7
157.06462	3.4
157.10146	55.2
158.10905	3.9
159.04413	1.6
159.08023	3.5
159.11702	5.2
160.05290	1.7
161.06001	5.1
161.09641	10.9
161.13248	3.4
163.03894	1.3
167.08534	2.3
169.10136	1.5
170.07251	2.5
170.10910	4.3
171.02939	1.8
171.04410	3.3
171.08051	5.8
171.11713	4.0
173.09637	4.5
174.06784	3.8
175.07571	24.0
175.11215	5.1
175.14810	4.5
183.08029	1.9
185.08174	2.2
185.09622	11.9
185.13263	47.4
187.07568	1.9
187.11243	2.3
187.14917	1.7
188.08322	4.7
189.09126	18.9
189.12764	3.2
195.08022	2.1
195.11699	2.0
198.10461	1.7
199.07535	1.4
201.09033	1.6
202.09933	2.2
203.06996	1.7
203.10689	3.0
203.14360	12.5
213.03949	2.3
213.09117	6.1
213.12785	7.6
213.16396	2.4
215.49629	1.2
216.07802	2.5
216.11526	2.3
222.51659	1.4
231.02914	2.7
231.04840	9.3
231.10242	27.8
231.13808	68.1
231.17479	5.9
231.21225	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1017
Annotation	Naproxen
Peak:m/z	Relative Intensity
50.01607	0.8
53.02388	0.6
53.03943	4.4
55.01878	7.7
55.02124	1.2
55.05490	2.7
57.03414	2.3
65.03950	8.9
67.05480	3.3
68.99790	1.1
69.03432	32.2
69.07041	2.3
71.01330	0.7
71.04980	3.4
77.03907	1.5
78.77477	0.8
79.05135	0.7
79.05492	6.9
81.03423	19.0
81.07062	5.4
83.01324	1.7
83.04948	1.1
85.02455	0.9
85.02909	13.9
87.00838	6.6
91.05483	17.8
93.03414	5.5
93.07045	5.8
95.04974	5.0
95.08567	2.3
97.02901	12.4
98.20753	2.0
99.04459	6.5
99.25851	0.8
103.05432	1.8
105.01797	1.0
105.03340	1.4
105.07028	15.3
107.04953	5.1
107.08604	4.3
109.02893	6.1
109.06495	3.0
115.05457	12.0
116.06257	3.6
117.06255	1.2
117.07027	15.8
119.04920	2.7
119.08576	10.5
121.06496	7.1
121.10133	1.5
122.07445	0.7
123.04427	1.6
127.03922	9.0
128.06233	17.8
129.07008	32.5
130.07716	2.3
131.04932	5.1
131.08575	22.7
132.05730	1.2
133.06508	4.8
133.10127	4.0
135.04440	1.1
135.08046	2.4
137.05988	7.5
141.06987	18.4
142.07784	53.0
143.04895	1.4
143.08569	23.5
144.05728	5.1
144.09326	2.6
145.04846	0.8
145.06494	16.5
145.10115	6.8
146.07281	7.0
147.04428	1.7
147.08064	8.4
147.11676	2.7
149.05908	1.7
149.09648	0.8
151.03943	1.4
151.07549	1.1
152.06210	8.4
153.06992	3.0
154.07784	4.3
155.04935	0.9
155.06058	2.3
155.08548	4.7
156.09319	2.3
157.06523	9.3
157.10143	40.5
158.07254	2.0
159.08063	28.3
159.11659	6.2
160.08810	1.5
161.05977	6.6
161.09619	9.6
163.07549	1.1
165.07028	4.8
166.07770	2.1
167.07277	1.3
167.08574	17.2
167.94037	0.8
169.06445	5.2
169.07678	0.9
169.10126	2.8
170.07263	14.5
170.10895	1.4
171.04420	0.8
171.08047	14.2
171.11678	2.7
172.08827	1.5
173.05992	7.7
173.09621	3.5
174.06796	4.0
175.03896	2.6
175.07556	22.8
175.11107	4.6
175.14804	1.7
176.08289	2.6
177.05595	0.7
177.09084	1.6
183.08047	2.3
185.09625	100.0
185.13144	9.4
186.10159	2.2
187.07559	3.5
187.11160	5.7
188.08325	4.4
189.03989	0.8
189.05449	4.4
189.09120	24.7
195.08023	8.1
198.06773	2.9
201.09163	2.1
202.09914	3.2
203.07056	5.8
203.10674	13.4
203.14351	2.9
213.09111	44.1
213.12708	4.4
214.09508	1.3
216.07811	1.0
216.11443	1.6
228.92609	1.1
231.05157	2.1
231.10187	98.5
231.13725	39.3
231.17444	2.3
232.10513	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98386	1.4
53.03954	10.1
55.01854	2.8
55.05503	3.3
57.03427	5.3
67.05505	2.0
68.99793	2.4
69.03436	100.0
69.07061	5.2
71.05009	8.6
71.50869	1.4
71.51286	2.2
74.81279	1.3
79.05476	4.9
81.03423	49.1
81.07039	6.9
83.01328	3.7
85.02440	2.3
85.02913	32.7
87.00837	20.8
87.60232	1.6
91.05486	7.7
93.07047	6.4
95.04946	2.0
95.08598	6.5
97.02905	22.2
99.04465	25.1
103.05459	5.1
105.01873	3.0
105.07047	10.2
107.08587	7.2
109.02901	21.6
109.06498	3.2
109.10201	2.2
115.05442	7.0
117.07011	5.0
119.08587	9.2
121.06506	5.1
121.10144	3.2
127.03928	27.5
128.06184	9.6
129.07011	10.1
131.04941	8.0
131.08574	4.5
133.10139	5.9
135.08057	3.1
137.05980	11.5
141.07008	8.3
142.07765	9.1
143.04922	5.8
143.08592	12.2
144.05719	2.1
145.04979	2.3
145.06467	5.5
145.10117	6.6
147.04417	3.1
147.08034	6.9
147.11612	3.1
152.06226	3.4
154.07976	1.5
154.65558	1.6
155.08521	3.6
156.09306	4.1
157.06534	7.7
157.10147	17.5
158.07271	2.2
159.04448	10.8
159.08072	7.0
159.11688	2.9
160.05202	3.5
161.06021	12.8
161.09583	12.6
167.08546	5.1
169.06552	3.3
170.07298	5.9
171.04419	21.6
171.08047	7.2
171.11699	6.4
172.08839	2.9
173.06015	3.5
173.09628	5.7
174.06761	5.5
174.10440	3.0
175.07553	20.9
175.11229	3.3
175.14888	2.7
176.08295	3.6
177.09103	3.0
179.45418	1.8
185.05984	4.1
185.09650	9.4
185.13347	8.2
187.07526	17.2
187.11215	1.8
188.04662	2.0
188.08321	6.3
189.05486	2.7
189.09105	23.0
189.12758	3.2
191.14424	1.6
195.08054	11.4
197.06004	1.8
198.06737	5.0
198.10378	2.2
199.07509	3.9
200.08327	5.4
201.09216	1.8
202.09976	3.7
203.06908	3.9
203.10632	4.4
203.14342	6.3
213.09155	18.1
213.12691	6.2
213.16469	1.8
215.06984	5.3
216.07800	6.9
216.11440	2.5
226.31863	1.7
229.12280	2.1
231.04878	4.7
231.06494	5.3
231.10156	64.7
231.13800	99.1
231.17477	5.8
231.21069	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	231.05
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28680	1.1
52.14753	1.5
53.03947	11.9
55.01860	4.8
55.05498	4.2
56.96559	1.4
57.03416	4.6
57.07063	1.5
61.02932	1.5
64.03173	1.0
67.05486	5.1
68.99776	2.5
69.03433	100.0
69.07058	4.6
69.46516	3.4
69.46925	4.7
71.01344	1.2
71.04990	7.0
73.02918	1.3
79.05504	9.3
81.03424	54.5
81.07065	7.6
83.01340	3.5
83.04999	2.3
85.02911	41.8
87.00838	19.4
91.05479	14.8
93.07052	9.5
95.04976	3.0
95.08611	5.8
97.02895	35.8
98.21541	1.4
99.04459	20.9
103.05452	1.5
104.79897	1.2
105.01895	3.0
105.07033	20.1
107.04894	1.2
107.08598	9.6
109.02890	16.5
109.06510	2.4
109.10144	2.5
115.05472	2.1
117.07012	10.5
119.04995	1.4
119.08597	10.4
121.02842	1.2
121.06508	4.4
121.10146	3.9
122.65118	1.3
123.08070	1.6
127.03924	28.6
128.06244	9.7
129.07021	10.1
129.83244	1.2
130.07794	2.0
131.04897	1.6
131.08588	12.3
132.09383	1.4
133.06448	2.8
133.10109	7.7
135.08029	4.8
137.05969	9.1
141.06999	3.0
142.07777	10.2
143.08572	19.6
145.04938	3.7
145.06450	4.1
145.10117	15.1
146.10863	1.5
147.04430	1.5
147.08022	6.6
147.11684	3.6
149.09630	2.2
151.07582	2.0
152.06139	2.1
155.08545	3.5
156.09354	2.9
157.06499	3.0
157.10129	21.0
158.10919	2.7
159.08072	6.7
159.11664	4.3
160.05171	1.5
161.06001	9.7
161.09659	10.8
161.13275	1.8
163.07581	1.4
165.06927	1.3
167.08566	2.2
169.10106	2.1
170.07257	1.5
170.10919	3.3
171.08051	6.1
171.11684	5.6
173.05977	2.2
173.09596	4.3
173.13275	2.0
174.06767	4.9
175.07562	33.4
175.11108	6.2
175.14874	1.9
176.08345	2.7
177.09085	5.3
183.08095	1.9
185.09662	12.8
185.13271	23.3
187.07562	2.7
187.11200	2.6
187.14877	2.1
188.08279	5.3
189.09108	20.4
189.12738	2.3
190.09622	1.5
195.11717	3.2
198.10463	2.0
201.09056	3.0
202.09879	4.3
203.10674	5.3
203.14369	9.2
213.03923	2.6
213.09157	4.6
213.12756	8.2
213.16444	3.1
216.07803	9.1
216.11458	3.3
231.05042	7.4
231.10220	31.3
231.13794	93.4
231.17223	11.2
232.22644	1.5
240.27248	1.3
247.64252	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	15.5
55.01859	3.5
55.05499	2.9
57.03443	5.3
61.02919	1.5
67.05487	1.7
68.99791	2.9
69.03436	100.0
69.07048	2.5
69.19396	8.6
71.04997	12.9
79.05486	3.6
81.03423	42.9
81.07072	4.0
83.01328	1.4
85.02914	42.5
87.00835	18.4
87.04461	1.0
91.05494	6.0
93.07041	3.3
95.04953	1.3
95.08579	2.9
97.02899	17.0
99.04462	24.1
103.05465	2.0
105.01857	2.2
105.07027	13.0
107.04891	0.8
107.08609	6.5
109.02888	17.9
109.06500	2.2
109.10130	1.2
115.05455	3.5
116.04348	0.9
117.07043	3.0
119.04979	1.2
119.08595	6.5
121.06497	3.1
121.10155	1.3
123.04432	1.1
123.08060	2.2
127.03931	25.0
128.06232	5.5
129.07018	7.0
130.07802	1.2
131.04878	1.9
131.08549	5.5
133.06496	1.9
133.10155	5.8
135.08060	3.7
135.92816	0.8
137.05980	7.4
141.06993	3.0
142.07774	8.6
143.04933	2.8
143.08560	12.6
145.04973	2.9
145.06520	1.5
145.10112	6.8
146.07283	0.9
147.08064	3.1
147.11713	2.9
149.09619	0.9
151.07538	1.3
152.06198	1.2
153.07002	0.8
155.08580	2.5
156.09349	2.5
157.06483	2.2
157.08829	1.2
157.10139	21.2
158.07292	1.4
158.10881	2.9
159.04332	0.9
159.08099	4.0
159.11679	3.2
161.05997	7.1
161.09630	8.8
163.07558	1.1
165.07019	1.2
167.08585	1.9
170.07314	1.6
170.10896	3.4
171.03030	1.2
171.04433	8.6
171.08060	2.2
171.11685	3.0
172.08864	1.2
173.09653	4.2
173.13245	1.5
174.06790	3.7
175.07556	17.9
175.11169	3.3
175.14861	1.9
176.08348	2.9
177.09093	2.1
183.08098	1.9
185.09705	4.1
185.13269	18.5
187.07565	1.2
187.14859	1.2
188.08327	1.9
189.05438	3.2
189.09111	14.4
189.12720	2.3
195.08034	2.0
198.06825	1.0
198.10510	1.0
201.09042	1.1
202.07869	1.7
202.09918	2.4
203.08701	1.6
203.10692	2.7
203.14313	5.9
213.04039	4.2
213.09099	6.4
213.12758	5.2
213.16263	1.4
215.10741	1.3
216.11501	2.2
231.04803	5.5
231.10345	9.9
231.13817	72.9
231.17528	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	230.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12909	0.4
54.51037	0.5
56.96571	31.8
57.02244	0.4
58.06624	0.6
69.81549	1.0
69.81945	1.1
70.06594	1.8
70.98113	0.6
71.06950	0.8
71.95275	2.6
72.96054	1.9
74.08446	0.5
82.99863	0.7
83.97609	0.7
84.08158	1.6
84.96038	1.2
86.09711	4.2
98.97593	100.0
99.97940	0.6
100.02464	0.6
101.00874	3.7
102.00980	1.6
110.97617	0.9
116.00246	2.5
116.98631	41.7
119.01924	3.5
120.01999	2.4
121.01673	0.8
124.00735	0.7
126.02291	0.8
128.98648	0.8
129.10284	0.9
130.05002	0.9
131.00194	0.5
133.03409	1.0
134.01331	0.9
134.03656	0.5
134.99660	10.0
137.02905	0.5
140.00166	0.6
140.03854	2.6
142.03563	0.6
142.05374	2.6
142.08632	0.5
143.09026	0.8
144.03432	0.5
144.05084	0.6
146.99620	1.1
158.04910	2.9
160.06403	3.1
161.02965	1.0
170.03239	0.5
170.04974	2.2
171.03352	3.5
171.04706	0.6
181.03448	0.6
184.04610	0.9
188.00911	0.9
188.04295	0.7
188.05975	2.2
189.00769	1.4
189.02664	0.5
189.04355	10.5
198.02481	0.6
202.05566	0.6
202.07582	1.0
206.07034	9.1
207.01817	1.0
207.05501	3.2
212.04059	0.8
212.05963	0.8
224.08064	7.3
230.05145	1.7
230.07042	11.8
230.10971	0.7
230.15819	5.2
231.05406	1.6
248.06169	0.7
248.08119	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	231.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	14.3
55.01872	2.9
55.05504	3.7
57.03438	4.2
67.05488	3.1
68.99780	2.3
69.03436	100.0
69.07070	27.2
71.05000	10.0
71.12272	2.9
79.05493	7.3
81.03428	45.1
81.07077	9.1
83.01339	3.0
83.04967	4.2
85.02438	2.7
85.02912	40.3
87.00837	20.5
91.05491	13.9
93.07045	6.4
93.94079	1.4
95.04977	2.9
95.08611	4.2
97.02901	20.2
99.04462	26.6
103.05460	2.1
104.95990	1.5
105.07040	15.7
107.08620	10.4
109.02893	15.6
109.06526	4.9
109.10155	1.8
109.70797	1.5
111.00832	1.6
115.05456	2.7
117.07020	7.6
119.08601	10.0
121.02892	2.4
121.06503	4.7
121.10110	3.4
123.04409	5.5
123.08070	2.8
127.03929	23.7
128.06203	9.0
129.06978	6.1
131.04953	2.0
131.08549	5.3
133.06508	3.1
133.10112	7.8
135.08020	2.5
137.05997	20.1
141.07008	2.6
142.07803	11.5
143.08568	16.4
145.04980	3.0
145.06441	4.0
145.10118	10.0
147.04439	1.7
147.08066	7.7
149.09666	2.3
151.07549	3.1
155.08501	3.7
156.09309	2.0
157.06476	3.7
157.10167	14.3
158.07318	2.0
159.08002	4.9
159.11697	2.8
160.05225	3.4
160.08919	1.5
161.06023	8.2
161.09613	10.9
163.07524	2.6
167.08537	3.6
169.10030	1.9
170.07207	3.0
170.10941	2.6
171.08093	7.3
171.11763	9.3
172.08846	2.1
173.09683	3.4
173.13301	2.7
174.06746	4.7
175.07567	27.5
175.11142	6.5
175.14778	3.4
177.09158	2.9
185.09665	12.3
185.13231	13.2
187.07593	4.4
187.11197	2.0
188.08365	5.1
189.09120	24.3
195.11736	2.0
198.10406	2.7
202.10005	2.6
203.10689	4.3
203.14352	5.7
213.09087	5.8
213.12802	9.4
213.16330	2.7
216.07794	7.2
216.11314	2.8
224.15421	1.6
231.02913	1.7
231.04970	6.2
231.08084	2.5
231.10236	43.0
231.13783	68.2
231.17526	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	229.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58956	0.8
55.05516	6.7
56.82118	0.7
56.96569	5.8
57.03419	2.0
57.07052	2.1
64.41933	0.7
65.03930	0.8
67.05193	1.3
67.05511	21.2
69.07064	4.3
70.95860	1.3
71.09957	1.3
79.05499	12.5
81.07059	32.4
82.07376	0.7
83.08602	2.5
91.05486	15.2
93.07046	23.6
93.07634	1.4
95.04967	1.7
95.08612	27.0
97.10175	1.6
101.54067	0.8
103.05444	1.1
105.07034	27.2
107.08591	17.6
109.06506	1.0
109.10161	12.2
111.11703	1.0
115.05484	1.3
117.07025	4.3
119.05046	0.9
119.08585	18.9
121.06475	1.1
121.10148	13.1
123.04456	1.3
123.11738	1.5
128.06215	1.5
129.06993	3.4
131.08588	16.2
133.09122	1.3
133.10139	26.4
135.11699	21.1
137.05962	2.4
141.07034	2.3
142.07771	1.5
143.08539	3.4
144.09354	1.4
145.06499	1.1
145.10126	19.6
147.11696	19.1
149.13269	6.5
153.07010	1.4
155.08583	4.3
157.10132	2.6
158.11005	0.7
159.08058	4.4
159.11707	19.6
161.05988	1.5
161.13313	4.4
163.14841	1.3
166.06482	1.4
167.08534	0.9
168.09341	3.4
169.06750	0.9
169.10112	1.4
171.08047	1.7
171.11658	0.9
172.08812	2.8
173.09636	5.6
173.11897	1.2
173.13258	24.1
174.06757	1.6
175.07443	1.0
183.08304	2.5
183.11693	6.4
185.05980	1.0
185.13272	1.8
186.10370	1.3
187.02675	0.8
187.07468	3.9
187.11217	2.3
187.14824	10.3
196.09145	2.9
199.07472	3.7
200.07953	3.0
201.09137	2.2
201.12775	7.2
201.16389	5.7
209.08302	3.8
211.11200	3.0
214.09862	4.3
215.10519	1.1
218.08830	2.4
229.08571	2.1
229.12254	33.5
229.15891	3.2
229.19521	100.0
230.19914	2.3
230.24808	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
55.05502	10.8
67.05511	40.7
69.33257	55.7
69.46254	5.5
70.06595	11.0
73.02505	5.7
75.89907	7.0
79.05486	14.1
81.07063	35.2
83.04993	7.6
91.05470	27.3
93.07058	11.8
95.04961	6.8
95.08600	7.5
97.06624	7.0
98.21455	14.0
105.07057	30.1
107.08562	10.2
109.10168	14.3
115.05489	8.4
119.08578	25.5
121.10146	13.2
123.11646	7.9
128.06216	9.3
129.07033	12.7
131.08595	22.4
133.10158	10.0
141.06990	12.2
142.07765	8.5
143.08585	19.9
145.10138	10.8
147.11699	68.0
153.07051	9.3
155.08556	23.0
157.10139	18.8
159.08105	20.5
159.11656	10.2
164.88728	6.8
165.12788	23.7
168.09358	23.6
172.08815	7.7
173.09601	15.1
175.11235	19.9
181.06516	7.4
183.08081	8.3
183.11719	38.7
187.07573	17.3
193.10349	7.5
193.12250	15.0
196.08961	9.5
199.07535	10.5
200.13197	6.8
201.08940	7.1
201.12762	32.4
211.11256	13.8
214.10043	8.4
229.08650	16.3
229.12262	100.0
229.14394	39.3
229.19501	7.2
229.23572	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1549
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01859	0.8
55.05506	0.7
55.52394	0.4
56.96563	7.0
57.03426	0.9
58.06355	0.5
58.06604	6.5
59.07374	1.4
60.07882	0.6
60.08168	7.4
68.05009	0.9
70.06595	42.4
70.99850	1.4
71.49025	0.6
71.95255	0.5
72.08165	0.9
73.02909	1.3
77.00903	0.6
77.61952	0.5
82.06554	1.0
82.99833	3.7
84.04541	0.6
84.08140	2.6
85.01411	0.8
85.02889	1.4
86.09705	0.8
96.08118	2.0
97.02900	0.7
98.06049	0.5
98.97585	11.6
100.02533	0.7
101.00888	27.8
101.17034	0.4
102.00948	0.7
103.00602	1.0
103.02374	0.7
107.87128	0.5
110.97611	1.2
113.00883	3.4
114.05544	3.9
114.09149	2.1
115.02415	1.4
116.07114	1.4
116.98628	6.3
117.04061	0.5
118.01078	0.5
119.01927	52.2
120.02019	2.0
121.01607	1.2
124.07606	3.6
126.09103	0.7
126.98761	2.0
127.02463	0.8
127.03873	0.5
128.98653	0.7
131.01910	8.4
133.03487	5.1
134.99632	1.7
137.02969	8.9
142.03497	1.1
142.08641	34.5
143.01898	1.3
144.99860	3.0
145.03455	2.2
146.03017	0.9
147.01360	0.9
147.03239	1.2
147.04971	0.8
147.81088	0.5
149.02957	1.6
151.04535	0.8
153.00574	0.5
157.03487	2.5
158.99655	0.6
159.01402	1.4
159.03244	1.0
161.02951	2.5
162.83426	0.5
166.75436	0.5
168.99841	1.8
169.01550	0.7
169.03542	1.3
170.08113	1.3
172.99318	0.7
173.02951	1.3
174.99271	0.6
175.02769	0.8
175.04570	1.2
177.00995	0.9
177.02428	5.7
179.03979	0.6
181.03453	0.6
183.04990	1.0
183.14984	0.7
184.04552	1.4
185.02907	0.7
185.06586	1.1
186.99451	0.4
187.00888	11.3
187.02711	2.7
187.04555	2.4
188.04184	1.0
188.05853	0.7
189.02541	0.7
189.04353	1.5
191.04027	0.6
197.01064	0.6
199.04536	0.6
201.02449	6.6
201.04247	1.0
201.06136	1.1
203.03993	1.3
205.01964	5.3
205.03708	1.0
205.05611	1.1
205.98708	0.7
206.07040	1.3
215.00331	2.3
219.01711	0.4
219.03514	9.5
224.08054	1.4
229.01897	1.9
229.05630	3.1
229.15482	100.0
230.05087	1.8
230.07025	0.8
230.15833	2.2
233.01501	1.4
247.02931	3.6
248.05983	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.05516	8.8
57.03444	19.3
57.07084	2.3
59.05013	5.6
65.03944	2.2
67.05511	100.0
68.05846	0.6
69.03433	1.0
69.07072	2.7
69.31790	1.5
69.32214	4.0
71.05009	4.0
79.05491	2.9
81.07063	14.2
83.08628	7.1
85.06538	3.2
91.05484	7.6
92.17491	0.6
93.07050	4.3
95.05062	0.7
95.08609	6.7
95.23952	0.6
98.06123	0.6
98.98477	5.9
103.05409	0.7
105.07051	1.6
107.08580	1.3
109.10167	86.8
110.10481	1.4
111.08104	3.5
115.05485	0.6
117.07021	0.8
117.14016	0.5
118.19061	0.6
119.08592	6.9
120.36748	0.5
121.06505	0.7
121.28941	0.6
126.29989	0.7
129.07031	1.4
131.08557	1.5
137.09618	4.7
142.07712	0.6
143.08574	1.6
145.06534	0.8
145.10181	1.8
153.07001	0.8
155.01035	4.5
155.06091	0.5
155.08557	1.8
155.10684	6.4
157.10098	1.1
159.08046	1.1
159.11708	0.9
168.09351	1.6
171.11705	0.6
173.09583	1.0
173.11765	18.6
173.13167	0.8
181.10239	0.8
183.11716	5.1
186.10504	0.7
187.07596	1.8
187.11153	1.0
193.45491	0.7
196.08821	0.8
201.09209	0.8
201.12700	1.6
211.11191	2.1
213.09270	0.6
214.09937	1.7
229.08644	1.3
229.12228	9.6
229.14355	21.1
229.16515	1.1
229.19472	0.9
229.23573	1.3
235.45515	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.8
57.03440	16.8
57.07079	1.6
59.05000	5.6
65.03946	1.5
67.05508	100.0
69.07077	2.3
69.25298	4.3
71.04991	2.9
79.05496	1.9
81.07058	13.0
83.08624	6.3
85.06548	2.7
91.05483	6.1
91.67005	0.5
93.07047	3.6
95.04958	0.5
95.08610	5.0
105.07055	1.5
107.08584	2.1
109.10163	78.9
110.10497	1.5
111.08086	3.6
119.08587	6.6
131.08582	1.2
137.09616	4.1
145.10170	0.9
150.82288	0.5
153.06978	0.6
155.08582	0.7
155.10678	6.3
157.10121	1.4
159.11717	0.7
168.09344	1.4
173.11755	19.1
183.11636	1.5
187.07544	0.6
187.11192	0.7
193.82120	0.6
201.12790	0.7
211.11212	0.9
214.09837	1.2
229.12219	5.0
229.14282	22.2
229.19347	1.0
229.23412	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	8.6
56.05845	1.1
57.03439	16.1
57.07080	1.0
59.05009	4.4
65.03947	1.0
67.05508	100.0
68.05841	2.5
69.03436	1.2
69.07073	3.1
70.06608	0.8
70.07393	1.0
70.89970	1.3
71.04997	3.3
79.05492	2.5
81.07057	15.6
82.07392	1.7
83.08624	8.1
84.08952	1.1
85.06563	3.6
89.20469	0.6
89.75535	0.6
91.05481	5.8
93.07056	4.8
94.07375	0.9
95.04959	0.8
95.08598	9.0
96.08951	3.2
97.10167	0.8
98.10525	0.8
105.07032	2.4
107.08575	2.6
108.08951	0.7
109.10163	76.5
110.10535	3.0
111.08106	3.9
119.08594	5.8
126.14627	0.7
128.06287	0.7
128.84247	0.6
131.08646	1.3
133.10085	0.8
137.09642	4.2
141.06947	0.6
142.07703	0.7
143.08571	0.7
145.06499	0.7
145.10075	1.2
153.07056	0.8
155.08484	1.0
155.10641	4.7
159.11714	1.3
168.09377	0.8
173.09557	0.8
173.10187	1.0
173.11749	18.6
173.13199	0.6
176.15144	2.1
183.11688	1.8
187.07471	1.0
194.16205	1.3
201.12671	0.8
211.11212	0.8
214.09857	0.7
216.28485	0.7
228.40857	0.6
229.04927	0.8
229.08479	0.8
229.12193	4.2
229.14311	22.5
229.19373	2.3
229.23651	3.3
248.12402	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05519	9.6
57.03445	16.0
57.07084	1.3
59.05008	6.1
62.80718	0.7
62.85443	0.7
65.03941	1.6
67.05513	100.0
69.03438	0.8
69.07071	2.2
69.47247	2.0
69.47678	3.4
71.05000	2.8
74.20541	0.7
79.05518	2.8
81.07068	12.5
83.08630	6.5
85.06561	3.5
91.05495	6.5
93.07058	3.2
95.08613	6.2
98.21493	1.5
99.24953	0.8
105.07072	1.4
107.08616	1.7
109.06604	0.8
109.10168	87.0
110.10566	1.3
111.08119	3.4
119.08612	6.5
137.09612	4.1
155.10689	8.2
159.08037	1.1
173.11748	19.4
173.13142	1.5
183.11780	1.4
229.12288	3.2
229.14296	23.8
229.23619	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	8.9
57.03444	19.1
57.07088	1.8
59.05014	4.9
65.03947	1.6
67.05511	100.0
68.31194	0.6
69.03455	0.9
69.07082	2.6
71.05006	4.1
79.05506	1.4
81.03399	0.8
81.07067	16.5
83.05005	0.8
83.08626	7.3
85.06558	2.5
91.05492	7.2
93.07043	4.0
95.04987	1.2
95.08630	5.0
96.07107	0.6
105.07050	1.6
107.08604	2.5
109.10167	83.3
110.10513	1.6
110.21315	0.7
110.62216	0.7
111.08082	4.0
117.07070	1.1
118.52690	0.8
119.08595	7.2
131.08553	1.6
137.09630	3.5
137.16110	0.7
141.07034	1.2
143.08571	1.1
145.10138	1.0
155.10660	6.2
159.11752	1.6
168.09358	1.2
173.09618	1.0
173.10162	1.2
173.11754	19.7
174.12135	0.8
183.11742	1.5
187.07559	1.1
199.07721	0.9
211.11259	1.1
214.09790	1.2
227.48814	0.7
229.12282	5.1
229.14290	21.8
229.19514	1.1
229.23602	2.1
229.34868	0.8
242.47443	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.0
55.05515	10.3
57.03439	18.7
57.07080	2.3
59.05005	6.1
63.67028	0.5
64.14861	0.5
65.03952	1.8
67.05508	100.0
68.05833	1.2
69.03433	0.8
69.07053	3.0
71.04993	3.3
71.50941	0.6
71.51377	0.9
79.05491	2.6
81.07065	13.9
82.07426	0.7
83.08624	7.1
85.02868	0.5
85.06545	3.0
91.05484	6.8
91.62712	0.6
93.07034	4.4
95.08617	6.3
98.98485	5.7
99.08073	1.0
105.07005	1.4
107.08605	2.8
109.10162	83.0
110.10479	1.3
111.08098	3.4
111.28164	0.5
119.08596	6.6
128.06184	0.6
129.07013	1.3
130.07704	0.6
131.08556	2.3
137.05972	1.3
137.09612	5.1
141.07065	0.8
143.08568	2.0
145.06512	0.6
145.10144	2.0
153.06987	1.1
155.01054	5.8
155.08626	3.6
155.10684	5.6
157.10167	2.1
159.08047	2.5
159.11699	2.2
167.08646	0.7
168.09297	2.7
169.10156	0.9
171.08136	0.9
172.08797	1.0
173.09631	1.8
173.11763	21.9
173.13316	1.3
174.06752	1.1
181.06464	1.1
183.11720	6.5
186.10251	0.7
187.07545	2.0
187.11221	1.3
191.57761	0.7
196.08841	1.0
199.07550	1.6
201.09186	1.4
201.12701	2.1
211.11244	2.9
211.14752	0.8
214.09886	2.1
229.08525	1.2
229.12187	15.1
229.14330	22.8
229.19504	2.1
229.23421	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1225
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
55.05502	2.7
57.03424	3.5
57.07064	3.7
58.06602	2.3
58.07389	1.0
60.08169	12.9
67.05505	7.3
71.08629	1.5
71.46088	1.9
72.25135	1.0
77.80862	0.9
79.05488	1.4
81.07042	1.6
91.05481	4.8
93.07029	2.2
95.08563	1.3
105.07037	10.0
107.08556	1.1
109.10155	4.0
115.05470	1.8
117.07027	3.2
119.08584	2.3
120.01381	0.9
123.04384	2.1
128.06235	7.8
129.07027	5.0
130.07802	1.2
131.08571	4.4
137.05969	2.6
137.93564	1.0
141.06985	5.6
142.07791	14.0
143.08572	19.3
144.09283	1.3
145.06487	2.8
145.10133	3.3
150.47377	1.1
153.06940	9.9
154.07793	2.5
155.08569	30.3
157.10146	19.3
159.08066	4.0
159.11685	2.1
161.06020	1.6
165.07068	1.5
166.07835	2.0
167.08574	2.9
168.09358	36.6
169.06543	1.6
169.10121	9.8
171.08029	1.8
172.08818	2.2
172.12975	0.9
173.05972	1.4
173.09615	4.7
173.13222	2.2
174.06697	2.2
178.07770	2.7
181.06496	1.5
181.10152	8.9
183.11711	100.0
184.12115	1.4
185.13287	3.3
186.10457	1.8
187.07576	4.2
187.11171	2.4
193.10152	10.2
196.08815	4.6
199.07602	2.5
200.08337	1.1
201.09074	2.1
201.12735	7.0
211.11182	34.5
211.14638	1.2
213.09038	0.9
214.09874	4.3
228.26881	21.5
229.08693	1.9
229.12259	53.0
229.15935	3.8
229.19530	1.1
229.27220	39.2
230.24823	3.0
245.05727	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1225
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
51.32625	1.0
52.69439	0.9
53.03946	1.6
55.01892	1.2
55.05512	6.6
57.03427	3.0
58.47260	1.2
67.05511	10.5
69.03418	1.9
69.07060	1.5
70.30566	2.7
73.82851	1.0
79.05502	6.9
81.07052	4.4
83.08597	1.8
91.05483	14.0
93.07047	9.0
95.04958	2.3
95.08609	1.7
103.05472	2.4
103.07475	1.0
105.07040	18.5
107.08588	3.6
109.10171	8.5
115.05452	4.4
117.07041	7.8
119.08580	7.8
120.09360	0.9
121.06516	2.6
123.04419	2.5
127.05414	1.0
128.06236	30.0
129.07021	21.1
130.07768	2.8
131.08571	13.2
133.06523	1.3
133.10123	1.2
135.04376	1.0
137.05980	3.4
141.07007	16.6
142.07797	21.8
143.08575	66.4
144.05652	1.1
144.09366	5.0
145.06471	5.3
145.10159	5.6
149.05992	3.5
152.06248	2.2
153.07004	20.3
154.07799	6.5
155.06032	2.2
155.08572	39.7
156.09325	4.7
157.06462	1.7
157.10144	25.5
158.07211	1.5
158.10822	1.9
159.08076	8.6
159.11699	16.6
161.06003	2.0
165.06982	1.8
166.07761	2.3
167.08577	9.2
168.09366	47.2
169.06439	1.6
169.10133	13.1
170.10915	4.8
171.08057	14.1
172.08835	3.7
173.06026	2.6
173.09674	4.7
173.11838	1.2
173.13290	4.1
175.07607	3.1
178.07742	1.9
181.06535	3.8
181.10175	4.9
183.04007	1.1
183.11714	100.0
184.12364	4.3
185.09583	1.3
185.13286	19.4
186.10434	2.6
187.07559	10.5
187.11171	13.8
193.10173	8.2
196.08902	6.0
199.07559	3.8
201.09161	5.3
201.12762	15.1
211.11206	35.4
213.09186	1.5
214.09869	5.4
228.26904	1.3
229.08595	3.7
229.12254	97.0
229.15945	4.1
229.27196	3.4
230.12564	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	229.1226
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
53.03948	1.2
55.01860	1.5
55.05502	1.8
67.05503	2.9
69.03410	2.3
70.42490	2.4
77.91389	0.8
79.05497	4.0
81.07057	1.8
91.05476	6.2
93.07043	4.0
95.04963	1.7
101.55544	0.8
103.05501	1.0
105.04530	0.9
105.07050	11.7
105.50541	0.8
109.06509	1.3
115.05445	2.8
117.06982	1.3
119.08601	5.1
121.06545	1.8
128.06235	11.2
129.07013	10.6
131.08565	6.9
133.06505	2.0
141.07005	7.0
142.07791	15.4
143.08577	32.4
144.09370	5.1
145.06471	3.2
145.10123	4.5
149.06064	1.2
153.07008	13.6
154.07722	0.9
155.05983	1.1
155.08565	30.5
156.09305	1.4
157.10152	35.5
159.08078	4.2
159.11682	3.0
165.07010	1.8
166.07797	1.6
167.08553	5.4
168.09364	49.1
169.06502	1.3
169.10153	5.5
170.10864	1.0
171.98843	0.8
173.05983	2.8
173.09668	2.2
173.13255	3.7
178.07797	3.6
181.06459	3.7
181.10112	5.2
183.11713	100.0
184.12141	1.9
185.13315	2.2
186.10408	1.6
187.07591	2.2
187.11232	2.0
193.10150	12.5
196.08891	4.8
201.12741	10.6
211.11205	34.0
214.09879	1.2
229.12262	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	229.1225
Annotation	1-Oxo-9-deoxycacalol
Peak:m/z	Relative Intensity
51.16894	0.6
53.03928	1.7
55.01886	5.1
55.05518	5.8
55.55931	0.7
56.96513	0.8
57.03439	4.0
59.04970	0.8
65.03915	2.5
67.05509	14.2
69.03432	19.7
69.03803	0.8
69.07043	1.6
70.06571	0.9
71.43825	0.7
71.49958	1.1
78.86145	0.7
79.05500	12.7
81.07059	12.7
83.04958	1.6
83.08552	1.1
84.34968	0.7
86.06110	0.7
87.03638	0.8
91.05486	30.3
93.07041	7.5
95.04942	2.5
95.08636	4.3
97.12781	0.8
103.05447	1.8
105.03366	3.2
105.07031	13.2
107.04947	1.7
107.08600	4.7
109.06510	2.1
109.10165	10.1
115.05453	4.8
116.06241	1.0
117.07018	10.6
119.04915	2.2
119.05965	0.8
119.08596	9.0
121.06528	6.4
121.10131	2.7
122.07298	0.9
123.04399	2.3
123.07994	1.1
123.11730	1.0
128.06183	4.8
129.07008	9.2
130.07758	2.2
131.04933	1.1
131.08578	20.4
133.02856	1.2
133.06462	1.0
133.10141	4.8
135.08063	21.9
137.05974	13.2
141.06998	8.3
142.07802	8.3
143.08585	10.5
144.05690	1.7
144.09354	3.5
145.06493	15.5
145.10132	22.2
146.07266	2.6
147.07994	1.4
147.11711	5.8
149.06023	1.0
151.03917	9.9
151.07483	0.8
152.06221	1.6
153.06995	9.4
154.07788	4.0
155.04959	1.1
155.08572	18.0
157.06534	5.4
157.10143	8.2
158.06096	1.3
158.07291	12.9
158.10989	3.7
159.08067	27.8
159.11708	10.8
160.08836	25.4
161.06049	5.5
161.09619	4.9
161.13242	2.2
165.06996	5.8
166.07727	1.3
167.08591	6.7
168.09355	12.2
169.06465	1.0
169.10147	5.3
170.07227	2.4
171.08057	16.3
171.11699	1.7
172.08836	30.5
173.06096	1.7
173.09639	60.6
173.13249	18.8
174.06793	3.8
174.10100	1.1
175.07573	2.4
175.11169	4.6
178.07787	4.1
181.06491	14.5
181.10153	3.1
183.08090	3.9
183.11716	20.9
184.08835	1.1
185.06027	1.9
185.09639	11.2
185.13277	1.2
186.10420	38.2
186.13977	1.2
187.07552	10.0
187.11205	16.8
187.14839	3.1
188.08318	3.1
193.10164	8.9
195.08022	4.4
196.08846	25.2
197.09502	1.5
199.07542	6.3
199.11205	2.0
200.08345	1.0
201.09106	6.7
201.12758	100.0
202.13083	2.5
211.07568	52.4
211.11131	27.0
211.14511	1.0
212.07942	1.6
213.09198	1.1
214.09909	11.6
229.05083	1.4
229.08937	8.1
229.12259	80.0
229.15727	6.1
229.19521	26.0
230.12590	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1225
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
50.49818	0.3
53.03942	0.9
55.01864	0.5
55.05516	1.8
67.05500	1.7
69.03435	0.4
69.07069	0.5
69.29261	3.5
73.02918	0.4
79.05492	2.2
81.07062	3.1
83.05018	0.4
91.05488	4.1
93.07041	2.3
95.04962	0.9
95.08598	1.3
98.20701	0.8
103.05455	0.8
105.07034	6.3
107.04988	0.4
107.08608	0.8
109.06509	0.7
109.10170	0.9
115.05467	1.6
117.07059	2.6
119.04947	0.5
119.08597	1.8
121.06506	0.9
121.10162	0.4
123.04432	0.4
128.06215	7.5
129.07011	9.3
130.07762	0.9
131.08586	6.4
133.06555	0.5
133.10146	0.5
135.04459	0.7
135.08098	0.4
141.06989	7.4
142.07780	9.0
142.08827	0.7
143.08565	16.2
144.09340	1.9
145.06491	1.2
145.10136	4.7
147.08026	0.6
149.05952	0.9
152.06299	0.5
153.05762	0.8
153.06992	11.9
154.07799	2.0
155.05998	0.8
155.08565	25.3
156.09247	0.9
157.06506	0.6
157.10146	7.5
158.10925	0.6
159.04482	0.5
159.08083	2.3
159.11710	2.1
161.05974	0.6
165.06979	1.1
166.07761	1.1
167.08560	3.6
168.09358	43.1
169.06485	1.2
169.10110	3.8
170.10959	0.4
171.11650	0.5
173.05988	1.5
173.09633	1.5
173.13290	4.2
178.07820	1.3
181.06409	0.8
181.10152	2.2
183.08395	2.0
183.11703	100.0
184.12099	1.9
185.09625	1.2
185.13211	2.2
187.07521	3.9
187.11217	1.2
193.10146	2.4
196.08887	1.0
201.09149	2.2
201.12741	10.6
211.11183	10.5
214.09908	0.4
221.00375	0.4
229.08963	1.9
229.12244	30.0
229.15916	1.8
230.12630	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1225
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
52.25572	0.9
55.01869	1.1
55.05511	7.6
56.96560	1.0
57.03423	2.7
57.07056	1.5
57.35475	1.0
59.04995	1.0
65.03940	1.1
67.05508	14.0
68.05829	1.1
69.03419	3.1
69.07063	4.0
70.06511	4.1
70.07449	0.9
71.04987	1.5
76.16109	0.9
79.05489	6.6
81.03423	1.1
81.07059	11.7
83.04991	2.2
83.08610	1.7
84.08958	1.2
86.09126	0.9
91.05482	11.7
93.07044	7.7
95.04946	2.3
95.08606	6.0
96.08932	3.6
99.08112	0.9
103.05464	2.5
105.07035	13.9
107.04946	1.5
107.08619	4.7
109.06525	1.2
109.10160	11.0
110.10497	1.9
113.58791	0.9
115.05454	6.0
116.06252	1.8
117.07002	6.8
119.04911	1.9
119.08586	6.8
121.06509	3.2
121.10143	1.1
123.04405	2.4
128.06230	13.7
129.07002	15.8
130.07800	2.0
131.04909	1.8
131.08575	15.9
133.06480	2.4
133.10130	2.0
135.04402	1.7
137.05954	2.0
141.06996	27.2
142.07791	12.4
143.08569	27.6
144.09283	2.8
145.06502	11.0
145.10136	8.7
147.08070	1.8
149.05995	1.3
153.06993	12.0
154.07758	3.9
155.06104	1.2
155.08563	35.3
156.09326	2.5
157.06473	1.9
157.10146	16.8
158.07204	1.8
158.11017	1.0
159.04398	3.4
159.08051	14.3
159.11635	4.7
161.05951	2.7
165.07065	1.8
166.07809	1.1
167.08571	3.8
168.09351	33.5
169.06483	2.3
169.10126	6.1
170.10945	1.4
171.08084	1.6
171.11739	5.2
172.08839	4.3
173.06012	10.6
173.09659	8.7
173.11876	1.8
173.13199	5.7
174.06680	1.0
175.07549	2.4
176.15105	1.6
178.07811	1.6
181.06569	2.3
181.10100	3.4
183.08127	3.1
183.11700	100.0
184.12224	2.0
185.09637	2.2
185.13258	7.3
186.10399	2.7
187.07533	14.0
187.11154	5.3
188.08350	1.6
193.10103	4.3
194.16193	1.3
195.08072	1.0
196.08861	3.1
199.07549	3.5
199.11255	1.3
200.08191	1.2
201.09094	3.7
201.12743	22.5
201.16570	1.3
211.11174	17.1
211.14624	1.7
213.08932	1.6
214.09866	3.9
229.08566	3.2
229.12244	92.6
229.15594	7.7
229.19614	3.0
230.12607	1.4
246.37259	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0861
Annotation	3,7-Dihydroxy-1,9-dimethyldibenzofuran
Peak:m/z	Relative Intensity
53.03941	1.4
55.01671	0.8
55.01878	7.6
55.05505	4.7
56.96563	1.6
57.03430	2.2
57.07075	1.1
58.98386	0.9
65.03941	2.0
67.05507	13.5
69.03429	9.0
69.07057	2.6
69.48783	2.3
69.49190	5.1
70.06575	1.4
71.04978	0.9
79.05495	8.3
81.07060	13.1
83.04961	2.3
83.08627	0.9
91.05484	48.4
93.07053	9.0
95.04964	1.3
95.08598	3.5
103.05456	2.3
105.03389	7.2
105.07042	12.3
107.08575	5.1
109.06493	2.5
109.10169	8.0
115.05452	3.9
116.06179	1.1
117.07023	6.5
119.04931	7.0
119.08586	6.8
121.06492	4.2
121.10114	1.7
123.04419	2.8
123.08044	1.1
123.21060	1.1
128.06223	5.4
129.07022	9.4
130.07814	1.8
131.04921	1.3
131.08583	13.9
133.02846	3.1
133.06480	1.3
133.10110	2.6
135.04500	1.2
135.08052	6.5
135.11705	0.9
137.05980	16.6
141.07010	7.4
142.07785	6.0
143.08559	10.3
144.05693	1.4
144.09364	2.0
145.06517	6.2
145.10123	13.1
146.07234	1.6
147.11740	1.8
149.06036	1.4
151.03897	15.5
152.06367	1.0
153.06998	11.6
154.07753	3.7
155.08563	17.1
156.09302	1.3
157.06509	2.9
157.10135	7.4
158.07289	5.3
158.10919	1.5
159.06836	1.7
159.08064	17.3
159.11684	7.3
160.08838	9.0
161.06006	7.7
161.09573	3.0
165.07013	7.7
167.08551	3.2
168.09348	9.9
169.10146	4.7
171.08069	7.9
171.11681	3.2
172.08852	12.1
173.05989	3.7
173.09622	20.4
173.11801	1.8
173.13203	9.1
174.06773	4.3
175.07532	2.6
175.11151	1.8
178.07747	2.2
181.06491	8.8
181.10115	1.7
183.08098	3.7
183.11702	22.8
184.08844	1.2
185.06056	1.1
185.09607	4.3
185.13289	2.0
186.10405	14.3
187.07565	18.9
187.11163	8.0
187.14847	2.6
188.08290	3.6
193.10107	5.6
195.08044	1.7
196.08850	13.3
197.09480	1.4
199.07513	6.8
199.11246	1.2
200.08195	1.8
201.09081	7.1
201.12749	38.6
211.07550	100.0
211.10861	13.9
211.14795	1.9
212.07932	1.6
213.09109	2.5
214.09888	11.0
215.10583	1.6
224.05807	0.9
229.04955	2.2
229.08762	12.3
229.12244	71.3
229.13951	2.6
229.15790	6.6
229.19481	12.8
229.23523	1.2
230.12616	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	229.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.0
56.96560	2.7
57.03445	1.3
58.25771	0.7
61.02902	1.4
65.31146	0.7
69.03423	2.1
70.06576	3.4
70.84566	1.4
70.99856	2.2
73.01411	2.5
73.02918	1.4
73.06561	0.9
75.04489	1.2
82.99849	10.6
84.08151	1.0
85.01419	3.8
85.02897	2.5
86.09695	1.2
91.02474	1.9
93.29628	1.0
93.71855	0.7
97.02876	1.8
98.97581	2.0
99.04476	0.9
100.00114	1.8
101.00894	65.9
102.00954	0.9
103.02445	4.2
113.00860	1.2
115.02433	2.9
116.98689	1.0
117.04028	3.8
118.01124	1.3
119.01933	90.7
120.02026	2.7
121.03445	1.3
127.03915	1.5
131.01929	4.5
133.03485	8.9
137.02969	11.7
142.03503	1.2
142.08624	0.9
143.01901	3.3
145.03397	0.8
147.55919	1.2
148.05647	1.5
149.02943	3.2
151.04530	1.3
155.01927	1.4
156.03305	1.4
157.03583	3.6
159.01389	13.5
161.02982	8.7
162.03107	1.5
162.05533	1.5
162.31158	0.8
173.03004	0.9
174.00049	1.0
174.41844	0.8
175.04633	1.6
177.02472	50.7
178.02664	2.1
182.54735	0.9
185.06628	0.9
186.04434	0.9
187.00920	1.6
187.02742	1.5
187.04611	3.1
191.04019	3.2
191.55414	1.2
192.01164	1.8
195.03523	2.9
200.03970	1.0
201.02472	51.2
202.02676	1.7
205.01952	1.1
205.05652	1.7
215.00317	1.2
219.03531	100.0
220.03654	2.5
229.01987	19.8
229.05589	1.9
229.15511	6.3
230.01984	1.0
242.05292	1.3
247.03009	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1385
Annotation	3-methyl-N-2-naphthylbutanamide
Peak:m/z	Relative Intensity
55.01859	0.7
55.05503	0.6
56.02187	0.3
56.05824	0.3
56.96545	0.4
65.22211	0.2
65.24644	0.2
67.05501	0.6
69.03412	0.4
69.07088	0.5
71.04986	0.4
71.50629	0.3
79.05486	0.4
80.05824	0.3
81.07049	0.7
82.22114	0.2
85.06539	0.3
91.05478	0.8
91.70766	0.3
93.07036	0.6
95.04982	0.3
95.08596	0.7
96.08945	0.3
97.06564	0.3
98.97598	0.8
99.04441	0.4
100.11256	0.3
105.07049	1.2
105.85059	0.2
106.07383	0.5
107.08598	0.5
108.08929	0.5
109.06543	0.4
109.10149	0.4
119.08594	0.3
121.06526	0.3
122.10484	0.3
128.06236	0.3
129.07001	0.5
131.08582	0.8
141.06966	0.5
142.07777	0.6
143.08527	0.6
145.06517	0.5
145.10159	0.5
151.07492	0.4
152.07840	0.3
153.06943	0.6
155.08531	1.0
157.10098	0.6
158.99696	0.4
159.08087	0.7
159.11685	0.3
164.11520	0.6
168.09286	1.1
168.10847	0.3
169.08574	0.6
170.08998	1.8
170.52609	0.2
173.06004	0.4
173.13185	0.3
182.10506	0.4
182.12662	0.3
183.11711	2.1
186.09138	0.7
187.07547	0.6
193.10069	0.3
197.08424	0.7
198.09125	3.2
201.09038	0.3
201.12715	0.7
211.11281	0.4
212.10710	14.6
213.11493	16.4
215.07553	0.3
226.12302	0.4
228.13850	100.0
228.23048	1.4
229.08693	0.5
229.12234	2.8
229.14255	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55510	1.6
53.03940	3.9
53.38997	1.4
55.01869	5.8
55.05515	20.6
56.05035	1.8
56.96566	29.1
57.03448	9.2
58.06603	2.3
58.99857	2.2
60.08187	1.9
61.02932	9.7
67.05495	1.5
68.05021	3.0
69.03434	23.3
69.07066	1.6
70.06600	16.4
70.25058	6.1
70.98124	4.1
70.99845	1.9
71.04989	4.8
71.95243	1.9
72.08151	5.4
73.02921	20.1
73.06550	17.5
74.06077	1.8
74.09731	2.0
77.00933	1.6
81.03412	10.7
82.01466	3.0
82.06588	2.6
82.99866	4.0
83.01299	1.5
83.05013	2.9
83.06097	3.3
84.04522	2.9
84.08130	10.8
85.02905	35.9
86.03700	2.4
86.06032	1.4
86.09718	2.3
87.04478	3.5
88.99172	2.7
89.00884	2.7
91.02484	1.4
91.03962	2.7
91.05496	2.5
97.01414	1.9
97.02899	22.8
98.97589	23.2
99.02965	2.0
99.04469	5.6
100.02483	10.8
100.07616	1.8
101.00887	35.3
102.00972	6.3
102.02248	1.8
103.00634	3.4
103.02441	3.1
104.53556	1.9
105.59991	1.7
109.02895	6.9
109.99127	1.5
110.97562	4.4
111.02928	3.7
111.04468	1.4
111.05570	1.5
112.15775	1.8
113.00866	7.4
114.02393	2.1
115.00666	2.0
115.02426	6.8
116.98617	11.1
117.03981	4.1
118.01155	1.8
118.03522	4.2
119.01924	68.3
120.01984	9.8
120.04221	1.7
120.08114	2.4
121.01680	5.8
121.03512	1.5
123.02938	4.3
124.07603	2.2
127.02443	3.8
127.03915	10.5
128.98595	4.7
129.03951	3.3
129.10255	4.0
131.00270	1.9
131.01915	18.8
131.05540	7.3
132.02095	3.0
132.03413	6.3
133.01688	3.3
133.03441	9.5
133.52922	1.7
134.99709	2.5
135.03154	1.6
137.02968	13.2
137.05952	2.3
138.03369	3.2
138.05200	9.6
139.02475	3.0
140.07085	1.6
141.03951	5.7
141.10271	1.8
142.03575	3.1
142.08609	3.6
143.00230	2.1
143.01907	26.3
143.03641	1.9
143.05531	2.0
144.02005	3.3
144.03441	2.8
144.05066	1.6
144.99837	3.9
145.01726	3.4
145.03384	9.0
145.05049	3.1
146.03583	6.9
146.99664	5.3
147.01401	3.2
147.03128	4.5
147.04082	2.1
147.05801	36.9
147.55896	6.1
149.01201	2.3
149.02930	4.0
149.06631	5.9
151.04562	2.7
153.03978	8.8
155.01901	7.8
155.04588	2.0
156.03328	92.2
156.04955	4.7
156.06229	2.9
157.03494	13.5
158.01262	1.9
158.03647	6.1
158.99709	4.0
159.01321	3.5
159.03244	5.6
161.02948	29.0
161.06641	5.3
162.03181	4.7
162.04480	6.6
162.05478	3.4
163.02682	3.9
165.00691	2.8
165.03984	2.4
167.01955	2.9
167.05600	1.9
168.01869	6.5
168.03357	22.8
168.04813	2.9
168.06352	6.2
168.56487	2.4
168.99918	1.8
169.03458	3.2
169.07222	1.9
169.09758	2.2
172.99318	3.6
173.02927	8.5
173.06604	16.6
174.03072	6.8
174.04411	69.4
174.05989	3.8
175.02756	2.8
175.04485	5.1
176.07724	4.3
177.00932	2.8
177.02443	14.4
177.04199	4.2
180.06570	2.4
181.03543	2.2
182.03250	2.2
182.09325	2.0
183.05000	10.1
184.04564	4.5
184.08304	2.4
185.02943	10.8
185.06618	5.3
186.03064	14.9
186.04457	100.0
186.06190	7.3
187.00909	6.5
187.02756	7.4
187.04607	7.6
187.08186	3.0
188.04654	4.9
191.03966	3.3
191.07616	4.0
191.55302	3.7
192.05408	6.0
195.03511	1.9
196.00938	5.2
197.06616	1.8
200.04362	3.1
201.02458	8.9
201.06026	2.3
203.04070	10.1
203.07683	5.8
204.02115	2.7
204.05534	60.3
204.07265	2.6
205.00264	3.6
205.01997	3.9
205.03743	7.1
205.05641	4.2
210.02496	8.4
210.06131	3.4
214.01982	1.7
215.04105	1.7
215.07719	3.7
216.04243	4.5
219.03513	20.5
221.05077	12.0
222.05206	2.7
223.01218	2.6
223.04805	5.0
228.03618	3.5
228.05681	10.3
228.07281	5.2
228.12102	2.0
228.17117	5.4
228.23219	6.8
228.57533	1.7
229.01949	2.5
229.05484	3.7
229.15489	14.0
233.08690	2.1
239.06122	6.9
245.05104	3.5
246.06413	8.4
247.02948	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	227.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.0
55.05298	0.7
55.05516	7.3
57.07059	2.1
57.10509	0.7
64.24805	0.7
67.05515	5.1
68.34090	0.6
68.78764	0.6
69.03405	1.2
69.06725	0.7
69.07056	3.9
70.43785	0.8
70.44139	2.3
70.85614	0.7
79.05499	5.2
81.07069	9.0
83.04960	0.9
83.08623	2.9
86.53754	0.9
88.84864	0.8
91.05486	10.7
93.07043	6.0
94.17970	0.7
95.04955	1.3
95.08609	7.6
97.06604	0.7
97.10142	2.1
100.11265	15.0
105.07034	16.4
107.08599	3.6
109.10136	4.1
115.05446	1.8
117.07033	10.3
119.08602	7.8
121.06535	0.8
121.10175	2.2
123.11723	1.5
125.09629	1.1
128.06264	6.0
129.07028	16.4
131.08583	22.0
132.72510	0.7
133.06519	8.3
133.07495	1.3
133.10139	8.3
135.11734	1.9
141.07030	3.7
142.07803	9.2
143.08582	29.3
145.10144	19.0
147.11716	3.0
153.06972	1.8
153.97023	0.7
155.08601	3.9
156.09351	6.6
156.22984	0.8
157.06540	1.0
157.10147	33.2
159.11731	6.9
163.11140	0.8
165.07019	7.4
166.07791	10.0
167.07103	1.1
167.08507	0.7
168.09169	1.0
169.10162	3.6
170.10902	2.5
171.08101	1.3
171.11705	34.7
172.12384	1.2
179.08525	1.3
180.09448	1.1
181.10143	17.0
182.08427	0.8
183.11713	3.2
184.08830	1.8
184.12460	2.6
185.09636	3.4
185.13278	19.5
189.11221	0.9
197.13333	1.3
198.13995	1.2
199.11237	4.5
199.14810	3.9
209.09619	3.0
209.16512	2.2
212.08368	3.0
212.15378	1.8
227.07155	1.4
227.10800	14.6
227.14316	5.7
227.17960	100.0
228.18282	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
53.68647	0.5
55.05514	14.2
56.33011	0.4
67.05511	5.9
69.03412	0.9
69.07072	5.1
69.34572	4.1
76.81168	0.5
79.05499	5.2
81.07063	4.0
83.04966	0.5
83.08623	18.3
86.72639	0.4
91.05482	6.8
93.07046	4.0
95.08057	0.7
95.08613	7.3
97.06525	0.5
97.10180	8.5
100.11266	5.7
102.36970	0.4
105.07039	20.6
107.08607	3.3
109.10168	4.4
115.05425	1.1
116.06261	0.6
117.07027	5.3
119.08594	17.5
121.10117	2.2
124.99479	0.5
125.09631	4.0
128.06206	2.4
129.07014	6.2
130.07802	4.4
131.08578	21.7
133.10129	3.5
135.08107	0.6
136.07570	0.5
141.06996	1.9
142.06667	0.6
142.07784	9.0
143.08568	13.5
144.09398	2.8
145.10132	100.0
146.10461	2.1
147.11688	0.6
149.13226	0.5
153.07080	0.8
155.08559	1.6
156.09370	6.3
157.10141	30.3
158.10542	0.9
159.11705	27.0
160.12099	0.8
165.07018	1.5
166.07820	2.3
167.08554	0.5
169.10106	1.0
171.11696	23.9
172.12111	0.6
173.13277	0.8
179.08563	1.1
181.10127	3.8
181.11549	0.6
183.11690	1.0
185.09573	1.1
185.13263	7.8
189.11259	2.2
194.10883	0.7
199.11203	1.4
199.14841	1.3
209.13455	0.9
209.16438	0.9
212.08202	0.5
212.83331	0.5
219.18234	0.5
227.07111	1.1
227.10637	4.1
227.12799	6.4
227.14368	1.9
227.17953	27.0
228.23271	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72625	0.4
53.03941	1.3
55.05519	4.4
57.29054	0.5
63.89766	0.5
65.03914	0.6
66.16013	0.6
67.05186	0.7
67.05514	10.9
69.07066	1.5
69.69597	2.9
77.03960	0.6
79.05069	0.7
79.05499	8.6
81.07067	14.4
91.05488	17.3
93.07050	13.3
95.05021	0.6
95.08611	12.2
97.10162	1.4
105.07043	17.7
107.08603	7.0
109.10161	3.7
114.61993	0.5
115.05438	1.0
116.06250	0.7
117.07028	8.1
119.08593	13.4
121.10150	5.0
128.06219	2.0
129.07011	7.8
130.07796	1.2
131.08583	28.2
133.10146	21.0
135.11703	5.8
141.06955	0.8
142.07808	2.0
143.08568	13.0
144.09328	0.8
145.10135	20.4
147.11703	9.4
156.09312	0.9
157.08958	1.1
157.10143	10.8
157.11339	1.0
159.11720	7.1
161.13255	1.7
166.07753	0.9
169.10114	1.0
171.11708	20.5
172.12473	1.3
173.13261	1.0
181.10098	0.8
183.11743	1.0
185.13277	12.3
199.11162	0.9
199.14848	5.8
227.10625	1.3
227.17966	100.0
228.18262	2.7
249.47937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05269	0.7
55.05515	9.9
64.53162	0.4
67.05500	2.9
69.07067	3.7
70.14783	1.3
71.08627	0.3
71.82393	0.4
79.05499	2.1
80.16735	0.3
80.79745	0.4
81.07048	2.1
83.08622	14.1
91.05479	3.3
93.07041	1.6
95.03899	0.4
95.04929	0.5
95.08608	5.6
96.89171	0.4
97.10179	3.4
100.11254	2.7
103.05495	0.8
105.07036	18.3
107.08614	1.3
109.10149	4.4
115.05442	0.9
116.06251	0.7
117.07038	3.1
119.08590	17.5
121.10145	0.9
125.09606	0.6
128.06233	2.5
129.06992	4.0
130.07800	5.3
131.08577	20.8
133.10162	2.5
141.06985	1.2
142.07785	6.1
143.08577	10.9
144.09393	2.2
145.10129	100.0
146.10471	2.0
155.08583	1.2
156.09351	5.7
157.10139	28.3
158.10545	0.6
159.11699	25.4
160.12047	0.5
165.06981	0.7
166.07848	0.9
168.09325	0.4
170.10818	0.6
171.11693	24.2
181.10118	1.5
183.11777	0.5
185.13281	5.2
194.10921	0.5
199.11172	0.8
199.14848	1.1
209.16528	0.6
227.10773	1.8
227.14342	0.8
227.17943	19.6
228.18338	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01872	1.2
55.05512	12.8
57.07074	1.7
60.08164	2.0
63.15549	0.8
65.03951	1.1
67.05512	12.9
69.03441	1.2
69.07086	4.7
71.50078	0.9
79.05498	11.9
81.07059	16.0
83.08160	1.2
83.08628	13.5
84.61718	1.1
91.05484	17.9
93.07050	11.6
95.08614	13.0
97.06531	1.1
97.10172	4.3
100.11275	11.3
105.07043	27.6
107.08592	8.2
109.10180	7.6
112.98129	1.0
115.05453	2.3
116.06279	1.5
117.07018	12.6
119.08596	20.6
121.10178	5.7
125.09631	2.6
128.06229	7.5
129.07030	11.7
130.07791	4.3
131.08577	41.1
133.10135	14.6
135.11700	4.3
141.06946	6.3
142.07796	9.6
143.08568	23.5
144.09375	1.2
145.10132	88.6
146.10503	1.4
147.11697	7.4
153.07021	2.5
153.09058	1.3
155.08575	4.7
156.09341	10.2
157.06522	2.0
157.10136	33.8
158.07281	1.5
158.10516	1.1
159.11707	23.3
161.13266	2.3
165.07018	9.2
166.07791	16.4
167.08592	2.6
168.09306	1.2
169.06490	2.3
169.10188	1.5
170.10892	1.6
171.08064	2.9
171.11693	35.5
173.13219	1.1
181.10135	26.6
183.11725	2.7
184.08858	3.2
185.09637	4.5
185.13283	15.0
197.06065	1.3
199.11229	9.2
199.13013	1.2
199.14815	6.4
209.09613	5.0
212.08249	5.3
227.07245	1.9
227.10718	27.8
227.12677	2.5
227.14342	4.7
227.17957	100.0
228.11047	1.1
228.18317	3.1
228.26888	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	227.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58064	0.4
51.15542	0.5
53.03945	0.9
53.23549	0.5
53.48753	0.6
55.01863	0.9
55.05513	5.5
55.98733	0.5
56.96548	0.5
57.07056	1.0
59.05015	0.6
65.03941	0.7
67.05182	1.1
67.05512	12.9
69.03437	1.2
69.07077	3.2
69.36952	2.1
69.37375	2.3
69.85667	0.5
71.70212	0.5
79.05502	10.8
81.07061	15.3
83.08624	1.9
91.05488	18.1
93.07052	13.3
95.04963	0.6
95.08617	15.9
97.06525	0.8
97.10174	2.1
98.21468	0.9
100.11263	7.2
103.05496	0.6
105.07039	22.0
107.05016	0.8
107.08604	8.6
109.10160	4.7
115.05473	2.0
117.07023	9.1
119.08590	14.0
120.19265	0.6
121.10157	4.8
123.11750	0.7
125.09659	1.5
128.06232	3.2
129.07014	11.0
130.07744	1.5
131.08578	22.9
132.08945	0.6
133.10143	18.5
135.11699	3.4
141.07004	2.5
141.34259	0.5
142.07787	4.5
143.07504	1.1
143.08571	14.5
144.09262	0.9
145.10136	23.8
147.11703	8.3
149.13274	0.6
153.06979	1.2
155.08589	3.7
156.09332	2.7
157.06540	1.4
157.10135	14.6
159.11716	7.7
161.13269	1.8
165.06992	3.6
166.07814	4.7
167.07040	0.7
167.08517	1.1
169.06496	1.1
169.08740	0.7
169.10136	1.5
170.10901	0.9
171.08067	1.7
171.11696	24.6
172.12355	0.8
173.13290	1.4
179.08566	0.8
181.10138	8.5
183.08032	0.7
183.11694	2.2
184.08870	1.8
184.12462	1.0
185.09619	2.1
185.13274	13.5
185.15865	0.7
186.14107	0.8
198.14035	0.9
199.11197	6.7
199.14815	7.6
209.09659	2.7
209.16582	0.7
211.07430	0.6
212.08316	2.1
212.15700	0.9
225.75612	0.6
227.06993	1.5
227.10712	13.7
227.14281	3.2
227.17958	100.0
228.18332	1.9
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
53.03948	1.7
55.01873	12.9
55.05513	11.6
57.03442	4.2
57.07078	4.3
59.04995	6.6
65.03942	1.5
67.05517	16.0
69.03436	7.6
69.07074	19.2
70.06609	1.6
71.04996	22.9
71.50389	2.2
73.06583	1.5
75.04472	1.3
79.05492	14.1
81.03427	2.2
81.07063	26.9
83.04964	8.3
83.08635	4.4
84.08129	1.4
85.06547	12.4
86.09724	2.8
91.05484	11.5
93.07052	33.0
95.04975	100.0
95.08606	20.8
97.06538	38.7
97.10184	3.9
98.97600	3.8
99.04466	27.9
99.08112	13.9
100.11265	11.1
101.67686	1.3
105.07047	16.8
107.04955	2.5
107.08601	36.6
108.08943	1.6
109.06528	17.4
109.10147	13.5
111.04450	1.5
111.08096	7.6
113.05973	2.4
113.09662	2.8
114.09188	1.7
115.07587	5.0
116.98643	1.7
117.07064	3.7
119.08597	10.6
121.06524	5.6
121.10158	24.6
123.08056	9.4
123.11729	12.5
125.06020	2.2
125.09638	7.0
127.07600	7.5
128.06190	3.1
129.07002	2.3
131.08577	9.4
133.10135	35.5
135.08073	5.9
135.11732	9.3
137.09625	1.8
139.11169	9.8
140.04663	1.5
141.06972	2.8
142.07805	4.4
143.08563	5.2
143.11803	4.1
145.10141	6.1
147.11716	6.1
149.09633	4.7
149.13297	10.8
151.07561	5.0
151.11214	7.6
153.09103	21.3
155.07117	1.9
155.08511	1.6
156.09338	2.5
157.10176	4.6
163.11191	7.6
163.14848	4.9
165.07033	2.9
165.12784	2.4
166.07819	3.9
167.07100	6.1
167.10736	3.3
169.08624	34.9
169.12302	2.1
171.08098	2.1
171.10201	10.7
171.11737	4.2
173.09720	2.5
173.13298	14.3
177.09109	2.2
181.04991	2.8
181.10150	6.6
181.12250	2.6
183.11691	1.6
183.13840	2.2
184.08731	2.0
185.09549	7.9
191.10695	3.6
191.14325	12.4
199.11255	4.8
199.14874	2.2
209.11752	3.8
209.15245	15.6
212.08321	3.8
212.11934	2.0
227.07048	4.2
227.10744	11.4
227.14320	8.6
227.16191	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	227.1644
Annotation	Annuionone G
Peak:m/z	Relative Intensity
50.55591	1.4
53.03941	1.6
55.01873	11.4
55.05513	9.1
57.03450	6.5
57.07087	8.0
59.05008	7.1
65.03928	1.8
67.05209	1.2
67.05506	11.7
69.03410	5.5
69.07075	16.8
70.49100	1.2
70.49440	3.9
71.04996	41.1
73.06536	3.8
79.05493	11.2
81.03390	2.1
81.07056	23.1
83.04981	7.9
83.08629	7.1
85.06546	19.9
91.05476	10.8
93.07053	30.6
95.04975	100.0
95.08062	2.3
95.08613	25.0
97.06542	23.5
97.10169	6.6
98.97545	1.9
99.03850	2.3
99.04460	38.8
99.08100	37.0
100.11250	5.6
103.05495	1.5
105.07032	18.7
107.04906	1.7
107.08599	38.6
109.06522	20.9
109.10160	12.2
111.08089	8.6
113.06013	2.2
113.09629	3.8
115.07590	6.7
117.07001	2.3
119.08598	10.6
121.06500	3.8
121.09348	2.3
121.10157	34.3
123.08099	9.0
123.11691	11.4
125.09640	18.5
127.07558	16.9
131.08582	6.2
131.77547	1.3
133.10139	35.4
135.07132	1.2
135.08041	8.4
135.11694	9.3
137.06017	1.4
137.09625	7.4
139.07520	1.9
139.11186	16.2
142.32448	1.4
143.01910	2.0
143.08533	2.6
143.10669	10.2
145.10123	5.4
147.11702	8.0
149.09642	2.9
149.13263	10.4
151.07523	3.0
151.11206	8.2
153.09119	24.5
157.10118	1.7
158.10936	2.9
161.02988	1.5
163.07516	1.5
163.11163	4.6
163.14825	5.3
165.06963	1.6
165.12816	3.3
167.07095	14.7
167.08456	2.1
167.10641	3.6
169.08592	18.2
169.12260	2.9
171.10188	17.7
171.11636	3.2
173.13297	17.5
177.05426	3.7
180.01836	1.5
181.10112	2.9
183.13782	5.7
191.10619	1.7
191.14301	13.1
199.11105	1.6
209.07945	1.7
209.11702	1.9
209.15352	15.4
212.08372	3.7
227.06947	2.9
227.10614	5.4
227.16405	59.4
228.16846	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03936	0.8
55.01880	1.0
55.05506	2.1
67.05504	2.5
69.03430	1.4
69.07077	4.0
69.82053	1.0
69.82447	1.7
71.04997	0.7
79.05496	4.6
81.02725	0.7
81.07061	4.1
83.05013	1.0
83.08601	1.1
85.06547	1.4
87.35098	0.6
91.05487	2.8
93.07047	6.9
93.90872	0.6
95.04984	1.0
95.08600	4.5
97.06538	100.0
98.06860	1.3
99.08122	1.0
100.11272	0.7
105.07061	3.1
107.08601	13.3
109.06530	7.3
109.10150	4.7
111.08073	3.5
119.08594	2.4
121.02753	0.6
121.06552	1.5
121.10148	5.5
123.08083	2.4
123.11765	0.8
125.09625	1.2
131.08601	2.3
133.10155	4.8
135.08130	1.5
135.11674	1.3
137.09637	1.7
139.11205	1.4
145.10110	0.9
147.11670	1.7
149.09602	2.7
149.13277	6.0
151.11153	3.9
163.14842	1.7
167.07092	1.7
167.10663	1.2
169.12285	3.5
170.33063	0.7
173.13246	3.9
177.05528	0.7
191.14352	3.6
209.15346	1.8
227.10602	0.9
227.16432	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1644
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03938	2.4
53.90622	1.7
55.01879	9.3
55.05516	12.0
57.03443	7.3
57.07056	5.7
59.05009	7.5
67.05509	12.0
69.03411	6.7
69.07077	17.3
70.62984	3.5
70.63344	2.4
71.05003	44.8
73.06543	4.7
79.05497	11.3
81.03409	1.5
81.07069	23.4
83.04536	1.5
83.04970	7.9
83.08630	9.5
85.02864	1.5
85.06561	19.0
91.05499	13.4
93.06497	1.6
93.07055	29.7
95.04980	100.0
95.08062	2.0
95.08614	23.8
97.05943	1.6
97.06542	30.0
97.10154	7.0
99.03876	3.2
99.04463	57.0
99.07515	2.7
99.08106	38.3
100.11260	13.1
101.05949	2.0
103.05427	2.3
105.07042	19.4
107.04923	2.5
107.08601	46.4
109.05936	2.0
109.06536	21.1
109.10166	12.7
111.04423	1.8
111.08100	9.6
111.11685	3.2
113.05990	4.0
113.09629	4.7
114.09114	1.7
115.07598	7.8
119.08604	11.2
121.06480	4.3
121.09340	2.2
121.10155	34.0
123.04479	1.5
123.08091	13.5
123.11712	11.9
125.09637	17.8
127.07572	15.4
129.06975	1.8
131.08577	8.5
133.10150	35.6
135.08073	8.6
135.11705	11.2
137.09599	6.6
139.07497	2.0
139.11200	16.5
141.11453	2.9
142.07718	2.1
143.01903	1.8
143.08511	3.1
143.10692	12.8
145.10086	6.0
147.11703	8.7
149.05986	2.7
149.09563	5.7
149.13258	13.3
151.07567	3.1
151.11156	9.1
153.07025	2.0
153.09116	29.9
153.12556	1.5
158.10846	2.0
161.02924	2.1
163.07530	2.5
163.11154	5.9
163.14798	5.8
165.12741	2.9
166.07729	3.2
167.07082	23.8
167.10764	2.6
168.51300	1.3
169.07295	2.1
169.08626	29.6
169.10081	2.3
169.12222	2.9
171.10199	24.1
171.11610	1.8
173.13255	16.2
177.05402	4.8
181.10040	3.3
183.13788	4.7
191.10571	3.4
191.14308	15.4
209.08043	3.3
209.11617	3.3
209.15343	18.6
212.08322	2.6
213.17746	2.0
227.07053	3.1
227.10721	8.9
227.12778	2.7
227.16377	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
50.08476	1.8
53.03948	2.3
55.01881	3.6
55.05514	14.6
56.72593	2.0
57.07058	5.3
65.61828	1.7
67.05521	18.2
69.03426	12.4
69.07073	11.7
69.77817	10.1
71.04984	6.7
79.05502	18.0
81.07061	38.9
83.04983	8.5
83.08615	5.2
85.06549	9.7
91.05487	19.3
93.07047	53.8
95.04954	5.3
95.08613	31.8
97.06531	16.1
98.21517	2.6
99.04459	1.9
99.08103	6.4
105.07046	29.3
107.04922	2.8
107.08602	100.0
109.06532	18.0
109.10158	25.3
111.08073	7.4
117.07005	2.6
119.06111	1.8
119.08585	19.9
121.06502	13.6
121.10154	48.5
123.08070	19.3
123.11711	4.3
125.09627	3.6
129.06995	1.8
131.08589	21.4
133.10136	41.4
135.08072	15.0
135.11705	5.5
137.09647	13.5
139.11174	8.1
145.10146	7.5
147.11694	11.9
149.09612	18.4
149.13264	36.7
151.11177	23.1
151.58847	1.8
153.09119	3.8
155.07045	2.8
158.10873	3.3
161.13278	4.2
163.11188	2.7
163.14793	18.0
167.10683	7.3
167.80820	2.1
173.13252	25.5
179.14241	2.2
181.05077	3.1
191.14293	25.1
209.11801	1.9
209.15359	13.1
223.53261	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60113	0.7
55.05511	1.7
56.41004	0.6
67.05497	1.6
67.48283	0.7
68.81461	0.6
69.07059	2.0
69.23569	5.1
79.05501	1.9
81.07069	1.8
82.90569	0.6
85.06545	0.7
93.07056	2.9
95.04961	0.8
95.08628	2.3
97.06539	100.0
98.06878	1.0
105.07082	1.5
107.08607	6.3
109.06514	7.6
109.10175	2.7
111.08104	4.4
119.08582	1.5
121.06562	0.7
121.10166	3.6
123.08049	0.7
131.08621	0.7
133.10146	4.9
135.08060	1.0
137.09665	0.9
145.10159	0.7
146.81754	0.7
147.11705	1.0
149.09663	1.1
149.13316	2.7
151.11201	2.7
163.14806	0.9
167.10692	1.6
169.12221	3.4
173.13300	2.5
191.14334	2.2
209.15364	1.3
218.29489	0.7
227.10822	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78363	0.6
55.01869	2.9
55.05516	4.3
57.03446	0.9
67.01862	0.8
67.05511	5.7
69.03419	3.2
69.07073	5.3
69.46207	4.8
71.04996	13.8
76.64800	0.7
79.05496	8.4
80.13860	0.7
80.36654	0.7
81.03400	0.9
81.07052	8.0
83.04984	1.1
83.08598	1.4
84.55765	0.7
85.06545	6.2
91.05480	4.2
91.46371	0.8
93.07050	9.0
95.04992	3.7
95.08616	7.8
97.06535	100.0
97.10175	1.0
98.06869	1.0
98.20734	0.9
99.04460	33.8
99.08125	1.6
100.11265	2.6
103.05505	1.1
105.07038	6.8
107.04954	1.0
107.07885	1.0
107.08601	18.5
107.09311	1.1
109.06517	10.4
109.10168	5.7
111.04498	0.7
111.08080	5.4
113.09647	1.2
119.08591	3.7
121.06509	2.8
121.10160	9.1
123.08070	6.1
123.11708	4.0
125.09639	3.4
128.06245	1.1
129.07010	0.8
131.08592	3.0
133.10146	10.7
135.08066	2.3
135.11691	1.3
137.09590	1.2
139.11208	2.6
141.05475	1.2
143.08676	0.8
145.10158	2.6
147.11699	2.3
149.09633	2.7
149.13295	5.9
151.11168	5.7
153.09135	1.8
163.11237	1.8
163.14827	2.9
165.12776	0.7
167.07062	4.8
167.10692	2.5
169.04877	1.1
169.08598	3.5
169.12216	3.7
173.13287	6.3
177.05531	1.7
179.14557	1.1
181.04787	0.7
181.10161	1.8
183.13832	2.8
191.10730	1.1
191.14333	6.2
209.08073	2.5
209.15324	4.6
227.10732	2.7
227.14354	1.6
227.16498	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.128
Annotation	Chloriolide
Peak:m/z	Relative Intensity
51.68329	1.5
53.03946	3.4
55.01879	16.5
55.05516	6.7
57.03437	1.7
57.07080	1.9
59.39487	1.2
59.70784	1.2
60.10215	1.2
63.98021	1.2
67.05502	12.1
69.03432	5.6
69.07079	9.6
71.05005	2.6
72.19995	1.3
79.05503	20.4
81.03439	3.4
81.07071	16.2
83.05003	2.5
83.08626	5.5
85.06578	3.2
85.40336	1.4
88.76132	1.3
91.05491	12.0
93.07056	24.7
93.89079	1.2
95.01338	3.4
95.04975	8.4
95.08612	26.4
96.29121	1.4
97.02930	3.9
97.06536	4.9
99.04454	2.9
100.11255	4.4
103.05489	2.3
105.07049	21.2
107.04969	7.1
107.08608	22.7
109.06519	4.3
113.09673	2.0
115.05479	5.9
117.07024	9.3
119.04896	2.6
119.08587	6.6
121.06531	6.4
121.10155	7.2
123.08092	2.8
124.26109	1.3
125.06001	3.0
125.09650	1.7
128.06236	17.4
129.07018	18.2
130.07784	2.0
131.08577	5.5
133.06523	2.7
133.10143	2.2
135.11707	24.3
141.07001	15.6
142.07802	20.4
143.08582	28.3
145.06537	2.2
145.10149	23.2
151.07587	2.6
152.06244	3.7
153.07002	13.7
154.07776	3.0
155.08563	30.9
155.09735	2.6
156.09383	15.9
157.06529	15.2
157.10123	19.4
158.07242	3.5
159.04443	1.8
159.08057	2.6
163.11194	37.1
165.07019	31.0
165.08316	2.8
166.07790	51.8
166.09146	2.6
167.08546	5.7
168.09375	8.6
169.06502	6.3
169.08632	24.4
169.10080	4.2
170.07297	2.6
171.08083	15.8
171.11711	21.1
179.08588	3.5
181.10139	100.0
181.12192	7.6
182.10564	1.6
183.08055	7.7
183.11697	12.7
184.08865	13.4
185.06020	5.9
185.09627	15.3
194.07251	3.6
197.09709	2.3
199.07545	4.1
199.11189	49.4
200.11696	1.6
209.09653	26.7
209.11600	2.7
212.08379	5.8
227.10690	88.4
227.12834	33.0
227.14368	2.5
227.17982	4.4
228.10999	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.128
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01875	35.6
55.05500	4.4
57.07071	2.5
57.13607	1.4
67.05511	12.9
69.03428	3.7
69.07082	17.5
70.79707	3.4
70.80045	2.0
71.04991	3.6
79.05508	10.0
81.07066	10.8
83.04935	1.9
83.08624	2.7
85.02938	1.3
85.06551	13.1
91.05469	5.5
93.07050	14.3
95.04968	3.6
95.08614	21.6
97.06539	18.7
99.04461	6.4
100.11260	4.7
105.07052	15.6
106.24809	1.5
107.04951	1.8
107.08605	31.0
109.06516	8.7
111.08085	5.0
113.05987	4.0
119.08588	2.2
121.06490	5.5
121.10151	10.1
123.08075	15.0
130.07782	1.7
130.96744	1.4
133.06479	2.2
135.11684	7.3
139.11230	2.4
141.07042	1.9
143.08612	1.4
145.10138	10.9
147.11674	1.9
149.09615	4.9
151.07547	13.8
157.10086	2.1
163.11195	19.1
165.07014	1.7
166.07841	1.8
167.07080	1.8
167.10719	4.2
169.08615	100.0
173.09674	2.1
181.10127	4.2
181.12225	10.1
191.10706	5.5
204.32661	1.7
209.11732	4.6
227.10626	4.4
227.12698	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	227.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01876	32.9
55.05516	29.5
57.03432	1.4
57.07077	4.6
65.03945	0.8
65.93351	0.6
67.05512	9.9
69.03417	2.8
69.07072	17.3
70.06584	0.8
70.82854	1.6
71.05003	4.3
73.02908	0.8
79.05505	8.6
80.48887	0.7
81.07066	9.6
82.06588	10.9
83.04985	6.8
83.08630	13.8
84.08150	1.4
84.90974	0.7
85.06552	14.6
86.40269	0.8
91.05489	4.1
91.58125	3.3
93.07051	13.8
95.04961	3.0
95.08614	26.1
97.06537	18.7
98.09718	0.8
98.97546	0.9
99.04456	4.3
100.07608	2.8
100.09462	7.3
100.11264	80.0
101.11566	0.8
105.07034	11.9
107.04956	1.6
107.08607	26.3
109.06525	7.9
109.10129	1.2
110.06056	7.9
111.04450	7.0
111.08083	1.5
112.07583	0.9
113.06008	4.7
114.09176	1.7
117.07066	1.0
117.13869	3.5
119.08598	3.1
121.06518	5.2
121.10155	9.4
123.08083	10.5
126.09174	1.8
128.07088	2.0
130.07799	1.0
131.08601	1.1
133.06506	0.8
134.10672	0.8
135.08055	1.2
135.11681	4.0
139.08722	0.8
139.11192	1.5
140.07016	0.9
140.10699	1.1
141.11493	8.8
143.08574	0.8
143.11806	1.1
145.10138	6.2
147.11646	0.8
149.09634	3.0
151.07558	13.7
154.12254	4.3
155.11263	2.8
157.08693	1.0
163.07619	0.7
163.11186	19.0
163.64389	3.2
167.07057	1.1
167.10710	5.8
169.08615	100.0
170.09023	1.1
172.15727	2.0
173.09586	2.1
175.80016	0.7
181.12248	6.3
182.15425	13.5
185.11714	1.5
191.10695	4.9
199.18068	6.2
204.66502	0.7
209.11729	3.7
209.16553	7.9
210.14931	6.2
213.17847	10.3
213.67969	1.2
215.67360	0.7
225.15967	1.2
227.10765	1.4
227.12808	4.1
227.17581	12.2
227.19586	0.9
244.20247	1.6
247.33635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.6
59.87996	0.3
60.31511	0.4
60.47797	0.4
67.05485	1.7
68.39776	0.4
69.03404	0.6
69.07049	1.4
70.02524	0.3
71.51585	0.6
79.05476	1.5
81.07041	1.6
83.08603	1.3
85.06517	0.5
85.71966	0.4
91.05471	2.0
93.07037	1.1
95.08567	1.2
97.10163	1.2
100.11260	4.5
105.07051	2.0
107.08582	1.0
109.10212	0.6
115.05478	0.7
117.07040	0.9
119.08561	0.6
121.10167	0.4
125.09590	0.9
126.53114	0.4
128.06204	1.6
129.07016	2.0
131.08562	2.3
131.53944	0.4
133.10109	0.9
135.11736	0.6
138.37585	0.4
141.06975	3.4
142.07751	1.7
143.08565	3.9
145.10088	2.5
147.11649	0.7
152.06218	1.2
153.06985	5.2
155.08537	1.6
156.09296	2.1
157.10124	4.6
159.11667	1.1
165.07013	32.1
166.07794	54.6
167.08485	1.8
168.09317	0.8
169.06442	0.6
169.41759	0.4
171.08044	0.9
171.11687	3.5
179.08589	2.1
180.09402	0.5
181.10126	100.0
182.10475	2.0
183.08063	1.5
184.08832	1.1
185.09624	1.3
185.13229	0.9
189.11168	0.9
197.05943	0.5
199.07558	0.5
199.11255	2.9
199.14888	1.1
209.09657	1.8
209.16507	0.9
212.08319	2.0
227.10701	26.5
227.12653	1.4
227.14194	1.8
227.17885	7.8
228.10812	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1279
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
55.01878	33.9
55.05501	2.7
57.03417	1.5
57.07063	3.5
58.55629	1.2
62.93385	1.2
63.73400	1.2
67.05508	9.1
69.03423	3.2
69.06725	1.8
69.07074	20.3
70.16676	4.9
71.04997	5.8
79.05492	10.2
80.87858	1.3
81.07069	6.9
83.04978	2.7
85.06544	14.0
91.05484	5.9
93.07048	12.1
95.04956	4.4
95.08614	22.4
97.06542	15.3
99.04477	7.3
100.11236	2.1
101.06051	1.1
105.07037	14.2
107.04996	2.7
107.08607	35.3
109.06519	11.7
111.08098	2.2
113.05998	5.1
119.08583	2.0
121.06522	6.6
121.10126	8.6
123.08094	14.4
125.05999	1.5
135.08025	2.1
135.11647	4.6
139.11171	2.4
145.10168	6.3
147.11574	1.8
149.09624	2.0
151.07553	13.3
163.11171	19.2
167.10677	5.3
169.08617	100.0
170.09036	1.2
180.01689	1.0
181.12259	6.0
182.65407	1.2
185.11749	1.8
191.10651	6.4
209.11699	2.6
227.10724	2.3
227.12614	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	227.1067
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
50.95176	0.6
55.01879	0.9
55.05501	0.8
64.41205	0.7
69.03436	2.3
70.70112	1.9
72.69180	0.7
79.05491	2.0
91.05489	2.3
95.01372	0.8
95.04957	1.4
105.07030	3.4
115.05499	3.6
117.07001	1.2
128.06239	9.2
129.07016	7.1
130.07805	0.9
131.08560	1.4
141.06995	13.5
142.07805	12.9
143.08583	14.8
145.06519	1.3
145.10147	2.7
152.06227	1.7
153.06999	11.5
154.07727	1.7
155.08562	16.2
156.09375	12.0
157.06526	4.8
157.10139	11.3
158.07275	1.5
165.07018	38.8
166.07800	53.0
167.08551	4.7
168.09381	7.2
169.06493	4.0
169.10127	2.8
170.07257	1.7
171.08032	4.6
171.11690	12.1
173.09669	1.3
178.07835	1.1
179.08574	2.2
181.10132	100.0
182.10590	2.3
183.08102	3.0
183.11681	8.0
184.08852	10.1
185.06026	3.0
185.09630	9.1
194.07227	0.9
197.25540	0.8
199.07541	1.7
199.09857	0.8
199.11200	32.9
209.09613	14.2
212.08363	2.4
227.10680	70.9
228.11078	1.2
245.11989	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1067
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
50.79029	1.2
51.66782	1.2
55.01862	5.1
55.02112	1.3
55.05513	3.0
65.03932	2.0
65.90169	1.2
67.05498	4.7
69.03426	4.7
69.07062	2.3
79.05499	4.6
81.07054	6.4
91.05486	9.6
93.07046	4.8
95.01328	2.6
95.04970	2.9
95.08611	4.6
97.06552	1.5
100.11272	3.9
103.05451	2.2
105.07039	12.7
107.04942	1.6
107.08603	4.5
109.10134	1.6
110.90855	1.1
112.59877	1.2
115.05454	5.1
117.07010	4.8
118.28342	1.2
119.04927	1.4
119.08582	6.3
121.02809	2.2
121.41618	1.1
123.08063	1.4
123.43939	1.2
128.06212	16.4
129.07028	18.6
130.07762	1.7
131.08586	7.3
133.06526	1.5
133.10136	4.1
135.11745	2.2
141.06992	17.4
142.07784	21.7
143.08569	33.4
145.06496	2.3
145.10120	10.1
147.11665	1.4
149.02339	1.7
152.06239	2.5
153.07002	18.5
154.07770	3.4
155.05968	2.2
155.08565	37.3
156.09366	16.9
157.06493	8.1
157.10146	19.0
158.07275	2.6
159.08073	1.7
159.11694	3.5
163.11174	1.2
165.07007	34.5
166.07791	61.0
167.03395	3.5
167.08562	8.9
168.09357	14.0
169.06523	5.9
169.08635	4.8
169.10124	4.9
170.07283	1.9
171.08083	15.9
171.11705	24.8
173.09679	1.6
179.08511	3.8
181.10136	100.0
182.10645	2.8
183.08069	5.2
183.11691	13.9
183.13091	1.9
184.08852	12.2
185.06082	3.0
185.09625	19.7
185.13226	2.2
194.07321	4.4
197.05962	2.2
197.09622	3.5
199.07550	4.5
199.11211	47.9
199.14763	2.9
209.07751	2.0
209.09633	27.7
212.08311	5.4
227.07036	5.6
227.10692	94.0
227.14026	6.7
227.17940	21.3
228.11049	2.3
246.92395	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1067
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
52.19848	1.0
53.03944	1.5
55.01872	3.0
55.05510	5.2
65.03931	2.3
67.05492	4.6
67.92112	1.1
69.03426	4.1
69.07064	2.2
69.31429	10.3
74.03306	1.2
79.05498	9.5
81.03411	5.1
81.07059	5.5
83.08627	6.0
86.01490	1.0
91.05486	22.1
91.06039	2.3
93.07040	7.4
95.04993	6.7
95.08582	2.7
97.02897	1.6
97.06532	3.9
99.04411	1.7
100.11251	4.6
103.05452	2.1
105.07039	29.2
107.04956	5.1
107.08598	10.1
109.06502	5.0
109.10169	2.8
111.04434	1.7
111.08083	9.1
115.05447	7.0
117.07024	4.9
119.04923	2.4
119.08582	2.3
121.06491	3.5
121.10129	1.4
123.08049	1.2
125.09651	3.4
128.06233	22.2
129.07011	49.0
130.07770	3.4
131.04901	2.7
131.08574	21.7
133.02820	2.2
133.06503	10.5
135.04401	2.5
135.08044	1.8
137.05994	1.5
141.07001	20.3
142.07808	11.0
143.04944	1.4
143.08566	29.6
145.06476	3.8
145.10126	6.3
151.07585	1.3
152.06204	2.2
153.06985	11.0
153.09041	6.0
154.07774	2.5
155.06035	3.5
155.08559	18.0
156.09377	14.9
157.06494	14.7
157.10118	9.7
158.07245	2.8
159.04387	1.8
159.08058	3.7
163.11194	1.2
165.07016	25.1
166.07796	31.1
167.07048	4.5
167.08545	4.7
168.09378	3.1
169.06473	3.7
169.08618	10.7
169.10153	4.7
170.07230	1.9
171.08015	8.1
171.11693	24.3
173.09654	3.2
177.05551	2.1
179.08546	2.5
181.06583	1.9
181.10129	49.6
182.10704	1.6
183.08066	5.1
183.11697	3.8
184.08830	7.9
185.06024	8.9
185.09624	4.1
185.13292	1.4
191.08638	1.0
191.10590	1.5
191.58609	1.1
194.07251	1.5
195.10182	4.3
197.09592	2.7
199.07585	2.8
199.11194	49.5
209.08008	1.7
209.09674	14.6
212.08362	3.5
227.07060	3.4
227.10687	100.0
227.14320	2.7
227.17938	6.3
228.10999	1.8
228.13884	2.2
241.68100	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1067
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
51.26041	0.9
51.65290	1.0
53.03933	1.6
55.01874	6.8
55.05501	3.9
63.39315	1.0
65.03932	1.6
67.05495	3.7
69.03417	3.9
69.07063	3.3
69.45924	2.3
69.46341	4.9
69.65179	1.0
77.03891	1.1
79.05492	9.6
81.07047	5.9
83.08621	2.3
91.05476	7.1
93.07035	7.6
95.01310	1.5
95.04995	4.7
95.08592	5.7
97.06535	1.2
97.08511	0.9
100.11264	1.1
103.05486	1.3
105.07037	12.4
107.04939	4.4
107.08604	4.8
109.06519	1.5
111.13544	1.0
115.05455	4.1
117.07029	3.1
119.04914	2.0
119.08583	1.3
121.06521	1.8
121.10142	2.2
128.06226	15.1
129.07019	16.9
130.07747	2.2
131.04927	1.6
131.08549	4.9
132.02437	0.9
133.06448	1.7
135.11722	4.6
141.06999	17.9
142.07782	19.0
143.08565	28.5
145.06474	3.2
145.10120	9.2
152.06171	2.1
153.06996	12.5
154.07794	2.0
155.06090	1.2
155.08557	29.1
156.09351	18.0
157.06502	13.7
157.10136	16.8
158.07281	2.7
159.04388	1.1
159.08055	2.6
159.11797	1.2
163.11163	6.8
165.07005	27.2
166.07787	49.1
167.08578	5.3
168.09326	9.7
169.06567	5.8
169.08612	5.7
169.10100	3.5
170.07260	3.3
171.08064	13.6
171.11685	18.4
173.06068	1.0
173.09633	2.9
179.08594	3.1
180.09242	1.1
181.10120	100.0
182.10518	2.6
183.08031	6.2
183.11690	13.0
184.08849	13.6
185.06047	4.7
185.09607	15.4
191.08348	1.1
194.07315	2.7
197.09641	2.0
199.07602	4.7
199.11189	50.0
209.09599	22.2
209.11598	1.1
212.08318	4.4
227.10686	87.4
227.12779	7.4
227.17847	6.6
228.10855	1.4
237.05684	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1067
Annotation	14-Nordehydrocalohastine
Peak:m/z	Relative Intensity
53.53318	1.2
56.44154	1.4
69.77802	6.2
69.78229	2.6
79.05495	1.6
86.21861	1.3
95.00736	1.6
98.20820	3.0
115.05471	3.4
128.06210	3.4
129.07007	7.3
141.06998	14.8
142.07797	9.8
143.08568	6.1
145.10075	1.7
152.06190	2.4
153.06960	8.0
155.08583	6.4
156.09364	5.5
157.06535	1.9
157.10146	19.6
165.05623	1.4
165.07004	37.6
166.07797	56.0
167.08586	6.6
168.09326	4.1
169.06490	3.2
170.07230	2.3
171.11688	5.0
179.08549	3.2
181.10138	100.0
182.10568	2.8
183.07999	2.1
183.11703	4.0
184.08817	3.6
185.09622	19.4
191.08563	1.5
194.07315	2.7
199.11200	19.1
205.38617	1.4
209.09634	25.8
212.08356	3.4
214.91026	1.3
227.10683	79.3
227.17871	2.0
228.10936	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0916
Annotation	Ficusol
Peak:m/z	Relative Intensity
51.98775	0.7
53.03944	1.9
55.01876	5.8
55.05515	2.4
56.24409	0.7
56.96558	0.9
57.03437	0.8
62.74945	0.9
65.03949	7.8
67.05515	5.9
67.41763	0.8
69.03429	2.2
69.07065	2.5
70.06591	1.5
70.73975	1.8
71.04995	1.1
71.06104	0.8
72.63884	0.7
73.02923	39.4
79.05486	3.2
81.03442	0.9
81.07066	2.0
82.04214	2.9
82.06577	1.3
83.04964	1.4
83.08604	1.0
84.04502	3.3
85.02924	4.1
85.06535	0.9
86.09707	1.6
91.05486	4.7
93.03422	3.8
93.07065	6.5
95.04974	7.3
95.08600	1.5
97.02895	1.6
97.06550	4.1
98.06062	0.9
98.97549	1.1
100.11274	5.2
103.05465	1.6
105.07046	1.9
107.04979	2.6
107.08650	1.4
108.02088	2.0
109.06515	1.4
109.10171	1.4
110.03660	3.5
111.04449	2.2
113.96473	0.7
119.08627	0.9
121.06547	5.0
121.10191	0.8
123.04442	9.8
123.08060	1.1
125.02380	2.8
125.05993	3.2
125.09624	1.2
131.62726	0.8
133.00064	0.8
135.08035	1.5
137.05978	1.5
137.09621	0.9
138.03142	2.2
139.07547	1.6
140.04691	50.8
142.02646	1.8
143.08585	0.8
145.10126	1.5
149.05978	2.3
149.07364	0.7
149.09621	2.3
153.05498	3.1
153.09146	0.9
155.07045	58.3
166.07719	1.2
167.07054	13.5
171.06552	3.4
173.08109	2.7
173.09584	1.0
177.05499	2.0
179.07056	2.6
181.04967	100.0
181.10056	1.8
181.13429	1.0
181.61954	0.9
191.10803	1.3
195.06606	2.8
199.07555	0.9
209.06114	1.2
209.08092	19.0
209.11378	1.1
209.16626	1.0
227.07027	1.9
227.08931	11.9
227.13950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01864	3.0
55.05517	5.3
56.96569	10.7
57.03424	3.1
58.99855	5.0
61.02916	4.1
65.03940	1.1
67.05499	2.3
68.98289	2.3
69.03433	9.5
69.07071	1.2
69.81308	4.8
70.06599	6.8
70.52135	1.0
70.99870	2.6
71.04996	2.0
73.02914	6.4
73.06552	2.5
77.00914	2.6
79.05492	1.3
81.03424	7.3
81.07005	1.3
82.01447	1.5
82.06570	1.6
82.99854	3.7
83.04996	1.3
84.04482	1.4
84.08144	9.9
85.02906	9.6
85.06558	1.3
86.99324	3.0
87.04523	1.1
89.00881	2.0
93.07050	1.3
95.05002	1.2
95.06030	1.4
97.01401	3.1
97.02885	13.2
97.06513	1.5
97.10137	1.3
98.20818	1.1
98.97583	11.9
99.04459	5.2
100.02493	2.7
100.07646	1.1
100.11263	2.9
101.00202	1.8
101.00880	29.6
102.00963	3.4
103.00628	1.7
103.02441	3.2
103.03945	1.2
105.00377	2.7
105.07069	1.3
107.08593	1.4
109.01521	1.2
109.02870	7.4
110.97558	1.6
111.02951	1.6
113.00860	5.7
115.02425	8.2
116.02533	1.1
116.07124	1.4
116.98624	4.0
117.04010	2.0
119.01923	68.8
120.02008	6.4
121.01666	5.2
122.02061	1.1
124.07600	1.6
127.02438	8.2
127.03905	13.9
128.02383	1.7
128.98550	1.4
129.00166	1.1
129.03970	3.8
131.01904	18.2
132.00877	1.8
132.01962	2.4
132.85635	1.1
133.01567	2.0
133.03468	10.3
134.99615	1.2
137.02956	14.3
139.02429	6.6
140.00227	1.7
141.03981	4.4
142.03487	1.4
143.01889	13.3
144.02007	1.7
144.99838	2.6
145.01659	2.7
145.03467	38.9
146.03680	1.8
147.01373	2.4
147.05801	4.0
147.55801	3.2
148.05637	1.5
149.02966	5.2
149.06955	1.2
150.03113	1.2
150.95619	2.3
151.04486	2.0
152.07051	1.4
153.04016	1.6
155.01875	9.4
155.04633	6.8
156.03305	2.1
157.03477	36.2
158.01314	1.6
158.03619	4.5
158.06834	1.1
158.99683	2.0
159.01396	2.4
159.05054	4.3
160.05107	1.2
161.02988	14.9
161.06548	2.8
162.03093	4.6
162.05571	1.4
163.04576	6.0
165.00746	1.4
167.01915	11.6
167.03223	1.8
167.07014	3.7
168.01718	2.1
169.03474	10.4
171.01419	2.6
171.05070	5.7
172.97667	1.2
173.01410	2.0
173.02962	34.8
173.06651	1.9
174.03120	2.9
174.04437	2.0
175.00894	3.1
175.04527	12.3
176.04649	1.9
177.00905	2.3
177.02440	11.3
178.00874	1.2
179.00703	2.3
181.03516	8.2
181.04964	2.0
181.13368	2.3
183.05054	4.0
185.02963	100.0
185.06528	3.0
186.02989	5.3
186.04436	4.7
186.06013	2.0
187.02853	1.4
187.04506	24.8
189.02455	2.5
189.06010	2.5
191.04097	5.4
195.03499	2.5
196.00899	2.5
197.02951	8.4
199.02757	1.1
199.04506	19.2
199.06212	2.4
201.06152	3.8
203.00623	2.2
203.02307	3.2
203.04013	47.1
203.07359	1.6
204.04089	4.1
204.05499	2.8
205.01990	1.9
205.05560	2.6
206.05145	1.2
208.04576	1.7
209.02859	6.4
215.04015	24.2
217.02007	2.1
217.05583	4.0
221.01703	2.3
221.05043	9.7
222.03024	2.1
222.05377	4.5
227.04024	38.5
227.05890	2.0
227.07614	1.8
227.10435	4.6
227.13860	8.6
227.17618	1.5
233.05067	10.2
234.05226	1.3
245.05045	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	225.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02482	0.6
53.03939	0.7
55.05507	2.6
65.03947	1.4
67.05507	16.1
69.07066	1.1
70.34354	2.1
79.05498	10.4
81.07058	10.0
83.08574	0.5
91.05483	19.4
93.07048	11.6
94.30099	0.5
95.04982	0.7
95.08611	9.8
96.19285	0.6
103.05464	0.8
105.07030	16.3
107.08607	4.7
109.10171	1.0
115.05469	2.6
116.06205	0.7
117.07021	11.6
119.08582	7.9
121.10139	2.0
123.08097	0.6
128.06219	5.7
129.07013	15.2
130.07780	2.0
131.08572	22.1
133.10144	6.5
137.09550	0.6
141.06992	10.4
142.07791	3.7
143.08569	22.9
145.10129	14.4
153.06969	2.2
154.07782	5.7
155.06032	0.7
155.08566	18.5
156.09326	0.9
157.08963	1.0
157.10149	12.3
158.10916	2.0
159.11716	4.9
167.08565	2.5
168.09375	3.6
169.10133	27.6
170.10889	1.9
171.11700	4.0
181.10143	2.9
182.07370	0.9
182.10907	2.0
183.11705	19.7
184.12471	2.8
195.11714	1.9
196.12494	1.7
197.09538	1.7
197.13274	11.4
210.14044	1.8
210.98062	0.7
223.14908	1.0
225.09193	3.0
225.16388	100.0
226.16737	1.3
229.79602	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.972
Annotation	Unknow
Peak:m/z	Relative Intensity
71.09907	6.1
85.18137	4.5
91.57513	3.8
93.23927	4.3
94.93027	24.3
100.09744	5.0
141.69398	4.1
150.94470	9.0
150.95602	100.0
158.30803	3.9
180.96745	5.5
208.96097	21.7
226.97217	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	225.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39079	1.1
53.03944	1.8
55.05509	5.8
56.95439	1.3
56.96562	1.4
57.07081	6.9
57.21423	1.7
67.05508	14.9
69.07073	5.1
71.04991	4.4
71.50184	2.2
75.19346	1.2
79.05492	10.0
81.07063	23.3
83.04961	2.2
83.08624	2.5
89.60909	1.4
91.05478	20.1
93.07049	14.4
95.04948	3.0
95.08614	18.0
97.06536	3.3
99.04469	5.1
101.95038	3.0
103.05422	1.7
105.03384	4.6
105.04613	1.4
105.07046	30.1
107.08614	8.5
109.06520	5.6
109.10166	5.9
110.06011	1.4
111.08092	2.3
115.05485	2.7
117.06985	6.4
118.04159	2.6
119.08565	8.6
121.02896	2.1
121.10145	4.8
123.08064	3.7
123.11707	2.0
127.07606	1.4
128.06229	8.5
129.07022	20.2
131.08582	25.3
133.10118	8.2
137.05949	1.9
137.45447	1.4
139.07529	1.9
141.06996	20.2
142.07765	4.0
143.08574	36.6
144.08989	1.3
145.10153	13.8
147.11697	2.6
152.06166	1.5
153.07002	8.4
154.07771	17.2
155.08585	36.7
156.09358	1.8
157.10118	14.4
159.11714	2.9
164.02051	2.2
165.05803	1.5
165.06979	8.6
165.12810	2.9
166.07823	3.9
167.07266	1.6
167.08603	5.4
168.09412	7.0
169.06509	2.1
169.10132	53.4
170.10796	1.7
171.08064	2.2
171.11690	3.9
173.02666	2.9
177.09116	2.4
178.07779	5.9
179.08578	9.6
179.09920	1.4
181.02463	3.2
181.06485	3.3
181.10126	7.8
182.07292	9.1
182.10936	2.7
183.08040	2.1
183.10092	1.7
183.11722	30.4
183.13501	1.8
184.12425	1.4
184.53435	2.8
187.02396	3.0
189.01213	1.5
189.12698	2.0
195.01332	1.8
195.08209	2.1
195.10095	2.1
195.11705	3.4
196.12437	4.5
197.09645	16.5
197.11250	1.8
197.11598	1.6
197.13269	17.0
198.53188	5.4
201.54591	1.6
204.01816	4.7
206.04399	8.9
206.54547	2.3
207.08188	1.8
207.13792	3.1
207.53766	8.1
210.06732	2.2
210.12347	2.3
210.14073	3.5
211.53026	3.6
215.04816	7.6
219.04572	1.9
225.05629	2.8
225.07149	2.8
225.09163	36.8
225.12785	2.8
225.14793	55.2
225.16423	100.0
225.19791	3.0
226.16846	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1488
Annotation	(+)-7-Isomethyljasmonate
Peak:m/z	Relative Intensity
51.74208	1.6
53.03935	5.2
53.46885	1.4
55.01874	6.1
55.05517	37.3
57.03429	4.9
57.07087	2.9
57.83702	1.5
59.05015	1.8
63.75463	1.5
67.05512	28.5
69.03431	7.9
69.07072	12.9
71.04991	7.9
71.24687	3.5
79.05502	29.8
81.03424	100.0
81.07063	33.6
83.04994	33.0
83.08624	47.7
85.06533	4.1
89.08656	1.3
91.05485	34.2
91.45313	1.5
93.07050	23.7
94.78236	1.6
95.04974	38.6
95.08619	15.5
97.02897	2.4
97.06544	10.6
97.10159	4.7
97.57055	1.5
99.04475	7.2
99.08108	2.6
101.95042	4.6
103.05447	2.0
105.03387	3.2
105.04521	1.6
105.07033	27.8
107.04968	6.5
107.08618	14.2
109.06524	12.6
109.10175	5.8
111.04452	5.3
111.08103	17.5
113.15251	1.5
115.05477	5.7
117.07024	5.1
119.04918	1.8
119.08601	22.2
121.06505	4.4
121.10133	10.7
123.08086	7.8
123.11736	4.4
125.05997	4.1
125.09639	4.8
128.06219	6.9
129.07027	18.2
131.08585	15.6
133.06497	5.2
133.10172	9.8
135.08049	3.1
137.06015	2.0
137.09650	3.3
139.07561	15.8
141.07016	19.2
142.07799	3.4
143.07002	1.6
143.08591	9.0
145.10136	4.3
147.08063	3.6
147.11699	18.8
149.09621	7.2
151.07582	2.4
152.06201	2.4
153.07004	13.7
154.07785	30.5
155.08595	13.4
157.10146	16.0
160.98708	2.3
161.13284	2.0
165.07028	8.9
165.12764	7.7
166.07797	7.1
167.08589	6.1
168.09433	2.3
169.06470	2.4
169.10129	31.8
171.08046	4.1
175.11198	18.9
178.07806	8.8
179.08586	17.3
179.10640	2.9
179.14317	2.4
181.06531	6.9
181.10092	4.1
182.07323	15.1
182.10786	1.6
183.08066	2.8
183.11705	7.8
189.12703	2.4
192.89926	1.8
193.12262	46.7
195.11670	2.2
197.06139	1.6
197.09647	39.5
197.13208	3.4
207.08095	2.7
207.11847	1.9
207.13786	3.6
210.06868	3.8
210.10399	1.9
225.05554	4.6
225.09132	53.3
225.12717	8.2
225.14793	7.0
225.16660	18.1
226.09396	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	225.1487
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
52.03778	1.8
55.05504	7.4
57.07070	3.6
59.05008	2.8
67.05503	12.0
67.87783	2.0
69.03426	7.1
69.07067	4.6
69.40208	9.7
69.40623	4.0
69.78191	1.5
71.01379	2.4
71.04997	14.1
79.05518	9.1
81.03426	3.2
81.07059	29.8
83.04983	7.6
83.08621	4.2
85.02912	100.0
85.06534	3.2
91.05476	8.4
93.07053	13.0
95.04973	6.1
95.08606	22.1
97.02885	2.3
97.06548	5.4
99.04469	18.1
105.03342	3.7
105.07018	13.6
107.04946	2.4
107.08612	17.0
109.06525	10.7
109.10144	14.7
111.04462	3.8
111.08132	2.3
113.09666	1.7
117.07005	2.0
119.08580	13.6
121.06518	4.0
121.10145	18.0
123.08081	18.3
123.11713	81.1
124.03972	3.6
125.06033	9.7
125.09605	4.8
131.08566	3.3
133.10165	5.4
135.08051	3.1
135.11687	2.9
137.05995	2.3
137.09653	9.6
137.13278	2.9
139.07625	2.7
139.11195	4.9
141.05452	2.0
141.06889	1.7
143.08575	2.5
145.10178	4.2
147.08052	3.8
147.11732	11.1
149.09641	22.5
151.03932	1.7
151.07571	7.1
151.11160	4.5
155.08629	2.2
156.09547	2.0
161.09676	3.4
161.13284	7.2
163.11197	4.8
165.09084	3.2
165.12750	2.4
166.08780	2.2
167.07088	2.0
167.08502	1.8
167.10735	8.0
169.10124	3.7
169.15556	1.8
174.10451	1.9
178.07910	2.5
179.07033	1.8
179.08528	2.4
179.10713	3.0
179.14288	3.0
180.04216	1.9
181.12529	2.3
183.13835	7.2
189.12769	15.4
197.09624	2.8
207.10223	4.5
207.13817	29.2
225.09290	8.7
225.14771	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	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03928	1.7
55.05507	5.2
57.07075	3.5
59.04996	2.3
67.05499	3.8
67.60803	1.3
68.33332	1.3
69.07064	2.9
69.27943	10.0
69.28349	2.3
71.01347	2.0
71.04605	2.2
71.04997	39.0
75.73620	1.2
77.85014	1.5
79.05482	4.2
81.03417	2.4
81.07067	9.4
83.04968	5.2
83.08624	7.4
85.02895	3.5
85.06530	2.2
91.05463	3.9
93.07042	3.0
95.08605	9.0
97.06533	11.0
98.20783	2.4
99.04462	100.0
105.07037	5.2
107.08598	32.5
109.06532	23.9
109.10152	2.1
109.65461	1.5
111.08115	2.3
113.09645	4.1
119.08567	5.5
120.72822	1.3
121.10143	12.7
123.08068	18.5
123.11724	18.5
125.09680	9.1
127.07604	1.9
135.08038	2.0
137.09668	1.7
137.13254	2.8
139.11200	3.2
141.09082	1.4
141.12675	1.5
142.42931	1.2
147.11716	7.7
149.09631	10.9
151.07599	1.7
161.13319	3.2
165.12788	9.2
167.10687	26.1
167.12090	1.5
179.14293	3.7
183.13818	39.5
188.16809	1.7
189.12752	3.7
197.09633	2.3
207.13779	6.4
225.09074	1.9
225.14818	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	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.91320	2.1
55.01918	2.2
55.05502	3.4
57.03429	2.5
67.05502	7.1
69.03420	7.9
69.07079	4.4
70.61829	5.3
70.62143	3.2
71.04995	9.1
79.05513	13.9
81.07056	15.7
85.06534	7.9
91.05489	17.5
93.07052	38.6
95.04952	3.1
95.08601	9.6
97.06546	5.4
99.08101	4.5
105.07047	43.7
107.04916	3.4
107.08602	100.0
109.06519	16.4
109.10169	13.5
112.78603	2.2
113.94398	2.4
117.07019	3.6
119.08597	34.8
121.06518	20.5
121.10158	43.3
123.08066	4.9
123.11756	2.6
125.09632	3.8
131.08580	17.5
133.10118	6.9
137.09627	59.4
143.08575	4.1
145.10104	7.4
145.20183	2.4
147.08054	13.7
147.11687	39.6
149.09636	56.8
149.13315	15.1
156.09383	4.8
159.11670	12.1
161.09581	3.4
161.13269	35.8
164.16628	2.4
165.12752	8.3
167.10686	86.9
169.63857	2.5
171.11671	11.8
177.12766	43.5
189.12750	39.8
207.13828	36.4
225.14868	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	225.1487
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03946	3.5
53.62092	1.3
55.05507	9.7
57.03453	1.9
58.79993	1.5
59.05001	11.5
67.05512	11.5
67.11485	1.3
69.03434	16.5
69.07082	11.5
69.33060	4.5
69.33485	7.1
71.04993	6.5
77.03934	1.8
77.84929	1.3
79.05493	14.3
81.07067	28.0
82.41050	1.3
83.04994	10.5
83.08624	5.2
85.02884	2.2
87.04478	14.0
91.05489	13.5
93.07049	43.5
95.04988	8.2
95.08616	16.5
97.06563	7.2
98.20798	2.6
99.04450	2.8
101.06051	2.0
105.03447	1.6
105.07040	40.2
107.04975	2.4
107.08603	39.7
109.06522	15.4
109.10170	7.7
111.08106	6.3
117.07065	4.2
119.04935	2.4
119.08593	25.4
121.06510	4.0
121.10147	7.9
123.08080	11.2
123.11697	4.6
127.07644	2.0
128.71855	1.3
129.06979	1.6
131.08582	4.5
133.06508	5.6
133.10132	16.3
135.08040	2.1
137.06018	5.5
137.09598	5.6
139.11206	4.8
143.08577	5.0
145.10143	4.0
146.07253	1.6
147.08078	7.9
147.11703	14.1
149.09633	4.5
151.07584	3.0
151.11197	100.0
152.11581	1.8
156.09367	5.9
159.11722	5.4
161.09666	12.5
161.13251	18.5
163.11197	3.5
165.05446	2.1
165.09105	2.5
165.12831	3.1
171.11734	7.4
174.05603	1.4
174.10406	2.3
177.12775	6.1
179.10674	3.8
179.14328	3.3
189.09146	1.8
189.12775	17.6
207.10210	3.2
207.13814	95.6
208.14186	1.7
225.09154	2.5
225.14900	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	225.091
Annotation	1-Methoxy-2-hydroxyanthracene
Peak:m/z	Relative Intensity
51.82420	0.3
55.01865	1.7
55.44555	0.4
61.51111	0.4
65.03945	0.6
67.01858	0.5
69.03413	0.6
72.02296	0.4
77.03951	0.5
79.05486	1.5
81.03420	0.5
82.58948	0.4
83.01342	0.6
90.96719	0.4
91.05484	4.1
93.07027	0.5
93.17451	0.4
103.05422	0.5
105.03375	0.6
105.07021	1.7
115.05437	4.2
119.04974	1.0
127.05423	0.4
128.06218	9.8
129.07005	10.9
131.04932	1.7
132.05702	0.8
133.06485	0.6
139.05435	0.7
139.07495	0.6
140.06245	0.7
141.06990	30.9
142.07661	0.6
143.08559	8.3
145.06563	0.5
152.06195	6.4
153.07001	23.8
154.07774	50.2
155.04912	1.5
155.08577	10.7
156.05659	1.3
157.06485	1.8
157.10149	0.6
159.04405	1.0
165.07013	16.5
166.07797	12.0
167.08577	9.3
168.05733	5.3
168.09256	1.6
169.06502	8.4
169.10130	53.7
170.10512	1.0
171.08037	6.6
177.07091	0.6
178.07785	10.1
179.08554	28.7
180.09271	1.9
181.06477	10.1
181.10127	6.6
182.07283	30.5
183.04404	0.6
183.08046	4.4
184.05367	0.4
195.07961	1.2
196.05196	1.1
196.08801	1.3
197.06001	3.9
197.09625	74.3
198.09964	1.7
207.08017	4.9
210.06741	5.6
215.10785	0.5
225.09108	100.0
226.09479	2.1
243.10051	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.69224	1.7
51.84158	1.5
51.87422	1.6
55.05521	3.8
59.98074	1.8
67.05500	7.2
69.03432	9.2
69.07078	3.9
70.79432	2.5
70.79787	3.9
71.04993	8.0
79.05503	14.6
80.72374	1.8
81.07064	19.2
83.04983	2.7
85.06558	7.7
91.05491	23.2
93.07049	44.0
95.04961	4.9
95.08612	11.2
97.06532	7.7
99.04468	4.2
99.08101	2.8
103.05437	2.5
105.07038	45.5
107.04978	2.8
107.08604	100.0
109.06514	20.2
109.07888	1.6
109.10168	12.2
111.08086	2.3
116.06262	3.3
117.69495	2.0
119.06057	2.2
119.08600	38.4
119.09383	3.7
121.06504	27.1
121.10159	43.0
122.07286	2.8
123.08070	8.6
123.11736	2.0
127.07533	1.9
129.07024	3.0
131.08586	21.1
133.06497	2.8
133.10127	7.9
135.08052	5.8
135.11668	4.2
137.09630	57.8
139.07526	2.1
143.08543	3.5
145.10141	8.8
147.08080	10.8
147.11699	41.2
149.09634	54.3
149.13245	19.6
149.14238	2.1
151.07509	2.1
156.09360	3.7
159.11720	12.9
161.09622	3.7
161.13274	30.3
163.11244	1.9
165.12749	9.5
167.10692	74.1
169.08565	2.2
171.11746	14.3
177.12766	39.1
177.14275	2.6
181.12300	2.1
189.12752	44.9
189.46587	1.8
195.13905	2.3
207.13811	29.3
223.47925	1.9
225.14894	8.8
231.32317	1.9
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	Unknow
Peak:m/z	Relative Intensity
53.03948	7.0
55.05521	2.4
60.27575	1.6
65.03936	1.7
66.04729	14.7
69.26573	1.8
71.11543	3.3
71.11853	2.7
79.05508	22.6
79.61616	1.7
81.07066	10.2
83.04979	2.4
83.08643	2.2
91.05476	5.1
94.04200	33.5
95.04968	6.3
95.08612	2.6
105.03409	6.4
105.04506	2.4
107.04953	2.1
109.06528	60.6
126.75151	1.6
127.53149	1.8
133.02885	1.9
137.05988	100.0
142.46944	1.7
149.26190	2.3
155.08418	2.2
165.05522	25.5
169.04982	4.0
182.05690	3.3
187.42467	1.9
193.04987	8.7
197.08090	11.3
205.67616	1.7
225.07346	9.9
225.09407	3.2
225.12868	2.0
225.14645	3.4
225.16382	5.8
225.19614	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	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	1.4
61.09430	0.9
69.85366	4.6
82.99856	5.6
98.97713	1.2
99.04459	1.2
101.00887	41.7
102.00957	1.8
116.98861	1.8
117.24471	0.9
119.01925	65.6
120.02041	2.1
128.91496	1.1
134.99873	2.8
137.02966	8.9
140.98860	7.6
141.01077	1.1
142.03520	8.8
142.44052	1.0
143.52925	1.0
158.99902	19.3
159.99991	1.4
160.04605	2.0
161.02939	5.5
175.03032	2.5
177.00960	100.0
178.01062	7.9
179.03986	5.7
182.99780	2.9
183.01392	1.6
193.04057	1.3
195.02069	1.5
201.00945	11.4
201.02531	3.2
202.02556	2.5
202.05661	1.5
217.04076	11.3
218.04210	1.1
219.02007	99.9
219.94569	3.0
220.02039	10.6
220.94336	0.9
221.01849	1.0
225.01031	4.0
234.00711	2.2
237.95619	1.3
243.01982	23.8
244.02257	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56334	3.1
53.03958	4.1
54.24693	3.0
54.95212	2.9
55.01875	6.7
55.05505	13.5
56.05035	10.6
56.29182	3.1
56.96569	58.2
57.03439	11.5
57.07084	7.1
58.99859	4.9
60.08173	5.5
61.02932	6.9
65.03963	3.7
67.05515	14.9
68.98298	3.1
69.03434	19.6
69.07076	8.1
69.45683	3.0
70.06596	37.9
70.79508	8.3
70.98120	2.9
71.04991	8.6
71.95268	3.0
72.08154	7.9
73.02911	14.4
73.06554	6.4
74.06089	4.8
79.05500	8.1
81.03429	6.5
81.07069	11.6
81.37182	2.9
82.06595	4.1
82.99832	3.7
83.04971	4.7
84.01234	3.7
84.04497	13.1
84.08155	68.8
84.96042	25.0
85.02911	19.3
85.06538	5.7
86.09705	15.8
86.54297	3.3
88.03999	10.1
91.05472	7.1
93.07068	7.7
94.93020	3.4
95.04979	8.2
97.02886	19.1
97.06531	4.0
97.49095	3.4
98.06062	3.9
98.97591	55.0
99.04461	11.5
100.02470	5.8
101.00893	41.1
102.00962	3.9
102.02261	6.1
102.92641	4.2
103.00659	5.6
103.02431	5.5
105.00385	4.2
105.03416	10.4
105.04537	3.8
105.07053	4.0
107.04977	4.5
107.08580	5.2
109.02895	4.3
109.06545	6.6
110.06060	3.2
110.97595	6.6
111.04577	2.8
111.05586	3.1
112.07621	8.7
113.00868	5.0
115.02438	7.5
115.03907	4.6
116.98640	24.7
118.03509	5.7
118.96719	2.8
119.01930	100.0
119.04922	3.6
120.02042	14.1
121.01690	13.6
121.10199	3.2
123.08113	3.6
124.03957	5.6
127.02410	3.3
127.03969	5.4
128.98604	3.7
129.10254	27.4
130.08649	14.5
131.01892	27.3
132.01968	6.4
133.01698	4.2
133.03481	8.8
134.03426	3.5
134.99678	8.2
135.04387	3.7
136.06184	29.8
137.02962	17.0
137.05730	5.3
137.06551	12.8
138.03128	3.5
139.02502	4.3
140.98645	9.9
141.06912	3.5
142.03522	26.8
143.01926	14.7
143.03639	7.2
144.01952	4.9
144.05161	7.5
144.10089	3.4
144.46078	3.3
145.03474	17.2
146.99615	5.0
147.05801	12.2
147.11328	7.2
151.07596	3.6
153.00800	3.5
153.05760	8.9
154.03477	4.7
154.06639	3.5
155.00160	5.7
155.01913	13.0
155.03587	4.0
157.03546	17.3
158.06647	3.2
158.99734	15.3
159.05087	7.6
160.04608	12.1
161.01193	7.6
161.02995	36.7
161.04597	7.4
161.06699	3.4
162.03055	5.1
166.05852	4.8
169.03516	4.0
169.10054	3.9
171.01442	4.7
171.05028	4.4
173.01262	5.5
173.02988	11.7
173.06631	4.1
175.04561	5.4
176.07776	6.1
177.00919	39.8
177.07837	3.2
178.01082	4.5
179.02419	6.0
179.04048	19.5
179.05461	3.7
181.03458	3.7
182.99707	19.0
183.01286	6.0
183.08376	3.3
184.02989	4.8
184.04614	13.0
185.03008	11.3
185.04678	5.9
187.04526	4.2
193.07260	3.4
194.02798	3.4
195.01723	4.3
197.03142	9.7
199.08231	3.8
201.00752	30.2
201.02484	26.4
201.05980	4.7
202.02409	5.9
202.03871	16.3
202.05707	16.5
202.51842	5.0
203.02328	8.1
203.04042	13.8
203.05684	4.3
211.52296	9.2
219.01881	29.7
219.03560	3.8
220.02069	8.1
220.04959	5.3
220.99721	5.0
221.05072	19.7
225.02348	6.7
225.04124	5.3
225.05846	10.2
225.09167	11.0
225.11823	32.3
226.05928	5.4
227.04140	4.8
243.02087	13.3
243.06749	6.7
244.06645	5.3
245.05231	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34781	6.1
55.01859	7.7
56.96574	42.5
57.25964	5.5
58.30158	5.7
58.99875	7.8
69.51160	21.8
69.51582	22.3
81.03386	6.2
82.01450	6.0
83.63412	5.7
84.08121	7.2
94.93024	6.1
95.05334	6.7
97.07657	16.8
98.97581	65.2
100.02490	13.3
101.00901	36.0
108.53670	6.5
116.98622	37.9
118.03554	7.3
119.01921	94.2
124.99144	7.1
130.93968	6.0
131.01913	13.7
134.99745	14.1
137.02962	14.8
139.58122	6.1
142.03484	28.3
150.52678	5.5
156.05026	7.8
158.97270	20.4
158.99910	17.2
159.99608	7.4
160.04575	9.6
161.02919	14.7
176.98299	16.4
177.00974	100.0
178.01051	18.0
179.00761	8.6
179.04050	14.6
181.08185	10.1
182.99803	7.3
183.01421	9.4
184.04649	10.4
186.64722	6.3
186.99127	17.4
187.04765	6.8
190.00507	9.8
190.99574	7.7
193.55836	15.0
199.04674	6.0
199.09201	12.7
200.98402	33.5
201.00836	9.1
201.02493	9.6
201.51228	7.7
202.02577	9.8
203.00626	6.6
205.00192	11.9
209.99435	9.4
217.04105	9.5
219.01981	72.5
219.03702	7.6
220.02153	36.6
222.05716	6.7
224.98152	10.1
226.02032	10.2
243.01997	28.0
243.08459	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	223.2058
Annotation	(E,Z)-farnesol
Peak:m/z	Relative Intensity
53.03926	2.8
55.01868	3.3
55.05267	3.8
55.05515	43.8
57.01751	2.3
57.03437	3.6
57.07080	24.0
59.04970	2.8
65.03938	3.9
67.05509	29.9
69.03426	5.9
69.07071	100.0
70.07423	2.9
71.04998	19.0
71.08627	6.4
77.03970	2.4
79.05502	17.7
81.03403	3.8
81.07064	69.0
83.04983	4.6
83.08158	4.4
83.08622	66.3
85.02923	3.8
85.06549	38.8
85.10165	4.5
91.05478	12.4
93.07053	57.8
95.04961	8.3
95.08611	77.4
97.06532	7.9
97.10173	28.1
97.22692	2.4
99.08091	6.6
105.07018	11.9
107.08607	76.5
109.02827	3.1
109.06513	3.5
109.09482	4.9
109.10164	62.0
111.08095	26.4
111.11719	7.8
119.08587	5.7
121.06534	4.0
121.10152	61.1
123.11713	64.4
125.05970	2.7
125.09629	8.3
125.13273	5.7
131.08533	4.5
135.08147	3.7
135.11707	38.7
137.13284	25.8
139.07513	3.4
139.11195	3.5
139.14807	20.1
145.10194	3.9
149.02348	23.3
149.09540	3.6
149.13277	41.9
151.14825	4.1
153.12723	4.3
163.11212	6.3
163.14824	14.2
165.07018	5.3
165.16389	4.2
167.08519	5.9
167.14336	16.6
169.10164	2.9
172.00633	3.1
177.16385	8.9
179.08633	4.7
179.17966	11.6
181.08633	8.1
181.10092	5.9
187.11163	2.9
187.14761	3.3
193.10126	8.8
194.10794	2.6
195.07956	6.1
195.11714	8.2
205.12117	3.9
205.19542	31.3
208.12460	6.0
223.05774	13.5
223.07722	6.4
223.11163	10.9
223.13194	6.3
223.14853	16.9
223.16994	10.0
223.20580	86.8
224.20892	4.2
225.04301	9.7
227.02283	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	223.9727
Annotation	Unknow
Peak:m/z	Relative Intensity
71.49289	32.6
82.07539	21.1
94.93015	52.3
205.96220	21.8
223.97223	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03925	3.8
53.75213	1.4
55.05512	12.8
56.96551	3.2
57.03436	2.4
57.07079	1.8
59.04987	6.6
61.02922	1.5
62.19990	1.3
65.03933	1.7
67.05512	17.0
69.03421	6.7
69.07059	5.3
69.62498	8.1
71.04980	2.6
79.05492	6.0
79.50912	1.4
80.41373	1.5
81.03424	1.7
81.07050	8.4
83.04986	77.9
83.08614	3.0
85.02908	3.3
85.06504	1.8
91.05492	16.5
93.07053	52.3
95.04993	7.4
95.08613	34.6
97.02873	3.6
97.06538	8.1
98.97586	4.0
99.04465	2.0
101.06060	1.5
105.07045	10.7
107.04961	5.1
107.08600	15.7
109.02856	1.5
109.06520	4.3
109.10157	9.2
111.04457	1.9
111.08091	74.8
117.06985	3.7
119.01846	1.6
119.08598	19.0
121.05669	2.4
121.06513	36.1
121.10149	12.3
123.08051	9.3
125.06001	4.4
125.09655	2.6
127.07537	2.3
128.02309	4.2
129.05463	2.0
129.07045	2.3
131.08553	6.0
133.10155	4.4
135.08043	11.0
135.11699	20.6
137.05989	2.7
137.09647	11.9
139.07549	28.1
145.10120	5.5
147.08066	15.0
149.02371	4.3
149.05959	3.3
149.09636	1.7
149.13235	2.1
153.12743	1.3
158.24806	1.6
159.08066	3.0
159.11710	23.1
161.09660	2.1
161.13310	5.1
162.10352	1.5
163.07518	3.2
163.11205	13.3
165.09132	36.7
167.06985	2.5
172.08847	7.8
176.38803	1.5
177.00827	1.7
177.09064	2.0
177.12741	16.4
181.12267	23.0
187.11211	23.1
190.02693	2.1
195.13750	9.6
205.08557	2.4
205.12256	41.5
205.14166	2.0
207.02965	2.1
223.05717	8.2
223.07774	3.6
223.13313	100.0
224.13570	2.9
241.07449	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	223.1694
Annotation	Chromolaevanedione
Peak:m/z	Relative Intensity
51.02360	0.9
53.03936	2.8
55.01865	4.6
55.05510	17.7
56.96549	1.4
57.03423	2.8
57.07060	3.3
59.04983	1.2
65.03918	2.6
67.05508	42.2
67.69625	0.6
69.03422	2.5
69.07069	30.6
69.73232	1.7
69.73646	2.6
71.04659	1.1
71.04995	12.1
77.03927	1.3
79.05495	25.9
81.03416	13.4
81.07059	40.9
83.04984	61.9
83.08624	9.6
85.02911	5.2
85.06544	4.1
91.05479	19.7
93.07046	26.3
94.04179	4.4
95.04977	23.3
95.08609	23.9
97.02859	1.2
97.06538	13.0
97.10161	0.9
99.04461	7.9
99.08081	2.4
103.05416	1.1
105.04521	1.2
105.07031	18.1
107.04951	9.0
107.08598	26.3
109.02848	1.5
109.06517	8.5
109.10160	60.3
111.00726	0.9
111.04458	3.7
111.08072	3.6
113.09629	1.0
115.05450	1.5
117.07018	11.5
119.08582	13.4
121.06510	10.3
121.10137	19.6
123.04411	1.5
123.08062	6.1
123.11711	12.6
125.05966	2.8
125.09586	1.9
127.07596	0.9
127.11147	1.5
127.89699	0.8
129.06976	1.8
130.07744	1.0
131.08586	12.5
133.06425	1.0
133.10112	6.2
135.04379	2.0
135.08069	4.2
135.11667	9.1
137.05956	2.2
137.09566	2.1
137.13289	1.1
139.07549	1.0
141.06950	2.8
143.08525	1.8
145.06454	2.0
145.10126	12.5
147.08038	0.9
147.11711	10.8
149.02344	5.1
149.09619	14.1
149.13234	4.4
152.06209	5.8
153.05472	2.3
153.06819	0.9
153.09093	1.2
159.11696	10.4
161.09615	0.9
161.13260	21.9
162.03151	1.1
163.03893	0.9
163.07489	1.6
163.11186	9.0
163.14833	12.2
165.06975	4.1
165.09085	1.2
165.12756	4.6
166.07741	2.5
167.08568	7.1
167.10686	1.7
169.10161	1.5
177.09093	1.2
177.12796	5.4
177.16388	4.2
178.07730	1.0
179.08521	1.5
180.09401	1.2
181.10149	2.0
181.12189	1.0
187.11098	2.3
187.14799	5.9
190.02634	0.9
191.10687	2.0
193.10060	2.4
195.08052	10.1
195.11671	2.0
205.10410	1.2
205.12289	11.4
205.15891	9.6
205.19630	0.8
208.08885	1.3
208.12366	1.0
223.05937	2.5
223.07799	8.2
223.11375	4.2
223.13260	100.0
223.16553	14.8
223.20531	2.8
224.13594	2.9
225.04236	3.4
234.38931	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1331
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
51.40343	2.5
52.26938	2.9
53.03936	7.1
55.01868	5.0
55.05519	34.2
57.03445	4.3
57.07059	3.2
57.99870	3.2
59.05010	3.1
60.59332	3.1
63.18316	2.5
65.63139	2.5
67.05509	21.7
68.65932	2.8
69.03434	18.8
69.07053	8.9
69.82782	13.3
71.04987	18.8
79.05502	23.5
79.75382	2.5
81.03428	3.4
81.07065	20.4
83.04504	3.9
83.04987	72.7
85.02889	12.7
91.05476	26.3
93.07051	54.4
95.04953	13.0
95.08076	3.2
95.08617	42.8
97.06531	36.5
98.97554	3.7
99.04446	6.1
99.08093	4.5
103.05492	4.0
105.07041	31.3
107.04996	4.1
107.08595	56.0
109.02845	3.2
109.06506	18.1
109.10181	15.7
111.04427	5.7
111.08062	10.2
115.05434	3.3
117.07043	14.7
119.08585	56.1
121.06516	32.1
121.10138	39.6
123.08076	58.9
125.06007	14.0
125.09615	4.6
129.03912	2.7
129.05470	6.4
129.06943	3.9
130.07791	4.6
131.08542	10.9
133.10132	12.1
135.07127	4.3
135.08067	59.0
135.11707	44.4
137.05981	6.9
137.09639	26.7
139.07550	3.3
143.07016	9.4
144.09361	10.0
145.06407	2.9
145.10159	22.1
147.08020	12.3
147.11700	5.1
149.02316	9.3
149.06033	5.7
149.09593	10.0
149.13275	29.2
153.09183	4.6
159.11705	57.4
161.09584	6.3
163.07585	6.9
163.11194	43.7
165.09122	24.6
167.07028	4.5
175.11198	9.4
177.09198	3.7
177.12764	61.1
179.10667	4.5
181.08611	8.3
181.12228	9.0
187.11154	7.3
193.12180	5.1
195.13916	4.6
205.08618	4.5
205.12193	27.8
223.11487	3.6
223.13293	100.0
225.04280	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	223.133
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03954	5.4
55.05516	26.4
57.07066	4.9
67.05506	15.1
68.99801	3.5
69.03436	22.4
69.07076	13.9
70.68993	4.6
71.04978	6.4
79.05494	15.4
81.07052	20.1
83.04989	7.8
85.02895	2.6
91.05486	22.8
93.06487	3.2
93.07052	60.1
95.04968	7.4
95.08607	35.7
97.06555	4.6
97.10223	2.1
105.07040	22.3
107.08601	90.6
109.06528	13.8
109.10162	11.7
111.04454	5.1
111.08096	14.3
112.05224	1.9
113.06014	4.0
117.07012	4.9
119.08591	33.2
121.06516	27.3
121.10167	35.0
123.08078	67.4
123.08970	3.6
125.06000	5.6
125.09595	3.2
131.08588	7.5
133.10112	12.0
135.04482	2.7
135.08063	28.8
135.11705	98.2
137.05988	3.0
137.09624	34.3
139.07530	5.1
144.09335	6.7
145.10106	7.7
147.08073	4.1
149.02411	2.7
149.05971	5.9
149.09593	4.0
149.13263	65.5
151.07504	2.4
153.09109	5.2
153.12766	3.1
159.11697	36.6
161.09573	2.6
161.13264	2.7
163.07530	3.7
163.11183	16.0
165.09125	3.8
167.03558	1.9
167.07082	3.5
169.08568	2.3
177.12764	100.0
178.06355	1.8
181.08652	4.9
181.12227	3.8
195.13811	7.2
205.12268	31.4
223.06029	6.5
223.11180	4.1
223.13300	57.8
225.04254	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	223.133
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
55.05518	27.4
56.28773	2.0
57.03423	2.6
57.07084	3.9
58.05033	2.2
67.05506	16.0
68.99789	3.1
69.03438	24.3
69.07063	9.7
69.55032	4.8
69.55441	7.9
71.04985	7.3
79.05502	12.6
81.07053	15.8
83.04978	6.0
86.85471	2.0
90.07074	2.0
90.36325	2.0
91.05473	21.1
91.84153	1.9
92.10184	2.0
93.06489	3.6
93.07055	60.6
95.04977	4.1
95.08625	37.0
95.68624	2.0
97.06503	4.7
99.08143	2.5
105.07034	16.5
107.04952	7.0
107.07884	4.9
107.08603	93.3
109.06508	10.8
109.10152	14.2
111.04438	4.7
111.08073	10.9
113.06011	5.4
117.07030	6.0
117.11703	2.5
119.08588	35.6
121.06516	32.5
121.10156	36.6
122.07265	3.4
123.08079	62.8
125.05981	2.3
125.09668	2.6
131.08583	6.7
133.10162	13.0
135.08057	27.9
135.11699	100.0
137.09618	32.6
139.07602	2.7
139.11194	2.8
141.05475	2.1
141.46794	2.1
144.09360	5.2
145.10126	3.3
147.08038	4.7
149.05920	2.5
149.13277	68.3
151.07603	2.8
153.09134	5.1
153.12740	3.1
159.11708	34.7
162.03116	6.1
163.03903	3.4
163.07533	5.2
163.11186	13.8
166.80095	2.2
177.12759	97.8
178.13118	2.0
181.12213	3.7
187.11133	3.0
190.02664	6.2
195.13892	9.8
199.78102	2.0
205.12238	23.7
207.02946	3.9
208.03683	4.7
215.30354	2.7
222.83002	2.0
223.06046	35.1
223.13303	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	223.0755
Annotation	Phenindione
Peak:m/z	Relative Intensity
55.01871	0.7
55.19192	0.4
61.18408	0.4
63.05292	0.5
70.06584	1.1
70.06979	1.1
79.05512	0.5
81.07072	1.1
82.96274	0.5
91.05488	1.0
93.07051	0.7
95.04966	0.6
95.08610	0.8
102.27476	0.6
105.07080	0.8
107.08604	1.1
109.06516	0.8
115.05481	1.3
119.08623	0.5
127.05406	0.4
128.06218	2.6
131.08618	0.7
135.08073	0.7
141.07005	3.8
149.02298	0.5
151.05424	1.3
152.06226	64.9
153.06882	1.9
154.84308	0.5
155.04956	0.5
155.08580	1.8
165.07013	33.5
166.07797	12.8
167.08574	58.1
168.08923	1.0
169.06519	7.0
176.06216	1.5
177.05574	0.9
177.07021	2.0
178.07790	6.3
179.06093	1.3
179.08562	3.2
180.05707	1.3
181.06517	0.9
186.81525	0.5
193.06512	1.3
193.10097	0.5
194.07278	3.0
195.08069	98.1
196.08452	2.4
197.09624	0.6
208.05150	1.2
217.19093	0.7
223.07555	100.0
223.14896	1.2
224.07928	2.1
225.04170	0.5
241.08618	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	223.0603
Annotation	K 251-1
Peak:m/z	Relative Intensity
51.86181	0.3
53.03946	0.4
53.29252	0.3
55.01876	0.4
55.05499	1.0
56.49853	0.3
56.96561	0.3
57.15426	0.3
65.03951	0.5
67.05511	0.6
69.03419	0.7
69.07066	0.6
71.04996	0.3
71.06609	0.7
71.06946	0.3
78.04321	0.4
78.04718	3.3
78.76590	0.3
79.05499	2.1
81.03403	0.3
81.07041	1.4
85.02961	0.4
89.03912	0.4
91.05488	1.4
93.07054	1.4
93.63611	0.3
95.04980	1.1
95.08611	1.2
97.02858	0.6
97.06484	0.4
98.97588	0.7
105.03415	1.4
105.04527	0.4
105.07026	1.0
106.04179	2.4
107.04963	17.2
107.08611	1.7
109.06516	1.1
109.10145	0.5
110.83856	0.3
111.08131	0.3
117.03419	0.5
118.04138	0.5
119.04948	0.6
119.08577	1.1
121.06513	0.7
121.10147	1.3
122.20156	0.3
123.04411	0.6
123.08060	1.2
125.09581	0.3
131.08540	0.6
132.14676	0.3
132.53665	0.3
133.02867	0.8
133.10161	0.4
134.03656	5.4
135.04430	5.5
135.08012	0.7
135.11699	1.1
145.02927	0.4
145.03949	1.1
145.10144	0.9
147.11700	0.5
149.02333	1.2
149.05978	0.4
149.09660	0.7
149.13264	0.4
152.04712	0.6
159.11696	0.9
161.02380	0.6
161.09619	0.4
162.03137	22.0
163.03929	10.2
163.07585	0.5
163.11226	1.2
165.01773	0.5
167.07014	1.1
167.08424	0.3
167.23454	0.4
171.06764	0.4
177.09087	0.4
177.12721	1.4
178.02586	0.7
179.03423	6.5
179.06969	0.6
180.04242	1.8
181.12321	0.4
190.02626	24.8
191.03352	0.8
193.01375	2.0
194.02139	2.9
195.06525	1.3
195.08125	0.4
205.08791	0.4
205.12329	0.7
207.02908	10.3
208.03688	16.9
223.06026	100.0
223.13130	2.1
224.06406	1.9
225.04222	0.6
238.00768	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.62120	1.4
55.05515	11.5
57.07069	6.3
59.04995	1.5
59.34762	1.6
59.38841	1.4
65.59369	1.4
67.05513	15.6
69.07072	17.7
69.99727	3.4
70.00099	6.7
71.04997	6.2
72.84247	1.3
79.05511	11.5
79.62852	1.6
81.07070	39.8
83.05006	2.5
83.08636	8.9
88.12457	1.6
89.14959	1.4
91.05486	16.0
92.98218	1.6
93.07046	23.0
95.04958	2.3
95.08614	65.9
97.06514	4.0
97.10181	3.0
104.10798	2.0
105.07040	44.1
107.08604	49.6
109.06514	2.9
109.10163	45.3
111.08128	4.1
117.06958	2.1
119.08595	100.0
120.08928	2.3
120.70648	1.7
121.06543	2.1
121.10155	26.1
123.08105	3.1
123.11739	14.6
125.09692	1.6
129.94342	1.7
131.08531	2.2
133.10138	37.0
134.10463	2.0
135.10808	1.5
135.11671	8.7
137.09615	3.4
137.13293	3.5
142.07896	1.6
145.10112	3.2
147.08073	2.9
147.11696	53.4
149.13263	7.1
151.11215	1.8
159.11673	2.7
161.09647	1.7
161.13277	24.3
163.14821	16.9
165.09094	4.9
165.12775	3.0
175.07468	1.8
175.14839	29.3
177.09161	2.9
177.16364	2.0
200.35670	1.9
203.10593	2.0
203.17975	97.0
206.10869	4.0
206.16286	2.0
221.13237	4.7
221.15396	6.4
221.19035	36.7
229.20914	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0763
Annotation	6-Hydroxyindolelactate
Peak:m/z	Relative Intensity
69.83481	1.4
69.83897	0.8
72.93755	0.4
74.35284	0.4
76.15878	0.4
85.02933	0.4
91.05478	2.6
93.07019	0.6
93.19819	0.4
98.21408	0.7
98.97598	1.0
103.05450	2.8
105.07021	0.5
106.06590	1.1
107.08620	0.4
115.05467	13.4
117.05775	0.9
118.06540	4.2
120.08111	3.5
123.08026	0.4
128.02396	0.5
128.04846	0.5
130.06538	100.0
131.04941	3.2
131.06902	1.7
132.04463	1.2
132.08104	4.1
133.06508	13.1
143.06078	3.4
144.05699	0.5
144.08105	0.6
148.07588	12.1
149.13364	0.4
158.06026	74.5
159.06396	1.3
160.11212	1.5
174.09189	1.1
176.07082	5.3
176.08633	0.6
177.10249	1.3
177.12709	0.6
186.05527	6.0
192.10191	1.9
198.96968	0.5
204.04724	0.9
204.06567	12.2
204.10150	0.6
222.07715	3.6
222.11246	5.5
223.10860	0.5
225.04247	0.6
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
53.03916	2.5
55.05515	27.9
56.96564	14.1
57.07069	5.4
67.05511	14.8
67.58737	2.3
69.07073	16.4
69.53052	5.7
69.53461	11.3
71.04990	17.8
74.50342	2.5
79.05482	20.4
81.07059	100.0
83.04973	10.7
83.08607	8.1
85.06523	3.1
91.05478	16.3
93.07045	33.7
95.04960	3.7
95.08615	42.3
97.10112	4.5
105.07039	30.8
107.04964	2.9
107.08598	47.3
109.06504	4.7
109.10157	39.2
110.03519	2.3
111.08098	2.7
111.11703	2.2
113.09615	3.0
117.07001	4.6
119.07824	3.5
119.08592	46.4
121.06499	2.5
121.10152	18.3
123.08086	3.7
123.11695	21.9
125.09604	3.5
126.26971	2.3
127.11157	2.8
129.07022	2.8
131.08543	3.1
133.10133	25.1
135.08008	2.9
135.11687	44.3
137.09581	2.9
137.13272	5.7
145.10181	3.3
147.08084	2.5
147.11705	25.5
149.13239	9.8
151.11220	3.3
157.01668	4.9
159.36560	2.3
161.13251	14.8
163.14790	9.3
165.12778	4.8
175.02769	7.6
175.11330	2.7
175.14838	7.0
193.92680	2.9
203.17982	41.9
221.07887	6.0
221.09798	3.1
221.11586	3.2
221.13420	2.9
221.15460	5.1
221.19016	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05516	18.1
56.96559	5.7
57.07077	10.5
58.08567	1.5
67.05505	25.0
69.07072	30.1
71.04983	6.8
71.10001	3.6
79.05490	18.9
81.07059	61.9
83.04952	4.7
83.08626	12.6
85.06538	5.6
85.10180	4.2
91.05476	16.6
93.07047	30.9
95.04958	4.3
95.08611	74.8
97.06545	4.3
97.10158	7.2
98.97586	9.7
104.10730	1.7
105.06330	2.5
105.07035	48.5
107.07871	3.7
107.08595	57.0
109.06497	6.4
109.10161	50.8
109.11284	2.0
111.08052	5.6
111.11707	2.3
116.98656	2.1
117.07040	2.4
119.08581	51.5
121.06509	4.0
121.10141	31.0
123.08038	4.2
123.11727	13.4
125.09618	11.3
127.27129	1.7
131.00211	1.9
131.08540	3.2
133.10138	31.4
135.08095	2.0
135.11707	16.2
137.05919	2.3
137.09644	5.6
137.13283	4.7
139.11177	4.2
145.10132	2.9
147.08003	2.9
147.11707	42.1
149.13222	6.9
151.11201	7.9
158.99667	3.8
161.06073	2.6
161.09653	3.6
161.13266	27.6
163.11227	2.1
163.14851	14.3
165.12813	9.4
173.01254	3.7
175.02864	3.9
175.07530	1.7
175.11176	2.8
175.14842	19.4
177.16360	10.6
181.98885	1.7
185.13300	2.9
197.36185	1.9
203.17963	100.0
206.10866	2.4
206.16185	3.9
216.91370	1.7
219.01866	2.7
221.11580	2.7
221.13387	4.2
221.15672	9.9
221.19014	72.4
244.99522	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.91116	3.0
55.05519	14.8
57.07054	3.3
57.53829	2.8
67.05492	10.8
69.07074	15.4
70.21892	12.5
71.04993	21.7
79.05495	20.6
81.07057	66.1
81.84652	2.9
83.08622	7.5
84.92384	2.8
91.05462	14.7
93.07054	41.5
95.08615	34.6
97.06525	3.0
99.08123	3.2
101.81101	2.8
105.07044	29.5
107.08600	73.0
109.10168	27.9
111.08064	4.0
119.08595	39.5
121.10165	15.0
123.08069	4.3
123.11764	16.3
125.09598	4.4
127.11208	7.2
133.10176	22.0
135.11699	100.0
137.09630	4.4
145.10135	3.5
147.11713	27.8
149.13290	12.9
151.11179	5.4
161.13283	11.7
163.14821	14.2
164.28409	2.7
171.47479	3.1
175.14905	5.2
203.17972	45.9
221.19012	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05502	15.7
56.96559	5.0
57.07074	7.0
67.05502	28.4
69.03407	5.6
69.07063	26.3
70.76411	3.9
71.04993	9.3
74.19322	2.7
79.05495	18.1
81.07061	55.8
83.04978	7.5
83.08623	13.0
85.06554	4.3
85.10193	4.1
91.05483	20.9
93.07047	35.3
95.04943	4.5
95.08614	74.7
97.06538	8.5
97.10175	8.8
99.08154	2.7
104.10750	5.3
105.07036	65.0
107.08607	58.7
109.06516	8.5
109.10166	51.8
111.08130	5.9
115.05450	4.8
117.07048	5.2
119.08588	44.0
121.06488	4.0
121.10164	37.5
123.08048	10.5
123.11698	17.0
125.09629	13.8
129.06966	3.2
133.06514	6.2
133.07565	2.6
133.10135	40.0
135.08072	10.1
135.11711	10.1
137.05893	2.9
137.09702	6.6
137.13295	5.9
139.11160	3.0
145.10141	8.0
147.08076	6.1
147.11693	49.5
149.13268	5.7
151.11159	7.4
157.10173	3.3
159.39250	2.7
161.05986	4.1
161.09648	6.1
161.13269	32.7
163.14818	13.6
165.12758	8.2
175.02780	6.1
175.07608	6.1
175.11253	4.4
175.14857	15.6
177.16425	8.7
189.30904	3.0
203.06963	3.0
203.14317	4.7
203.17966	100.0
206.16264	5.7
221.08054	6.9
221.11633	5.9
221.15543	14.8
221.19016	76.5
242.78450	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	221.1903
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03935	1.7
55.05516	10.3
57.07077	2.5
60.73935	1.3
67.05502	6.2
69.07075	11.7
69.72186	7.6
71.05003	22.8
78.58286	1.2
79.05501	16.6
81.07069	64.4
82.25440	1.3
83.08624	4.7
85.06554	1.4
90.61147	1.4
91.05493	11.2
93.06489	2.2
93.07058	39.0
95.08617	22.6
97.06545	2.9
99.08118	4.1
101.74983	1.3
103.81557	1.4
105.07049	27.0
106.07320	1.9
107.08607	53.6
109.06519	2.6
109.10176	17.3
109.73174	1.3
111.08086	1.9
113.09666	2.0
119.08595	42.1
121.10130	10.4
123.08053	2.0
123.11736	12.0
127.11184	4.5
133.10139	18.2
135.11711	100.0
135.57602	1.3
137.09618	3.8
137.13219	1.7
145.10129	2.0
147.11710	22.4
149.13287	9.2
151.11229	2.2
159.11638	2.1
161.13301	9.5
163.14793	2.1
174.20943	1.3
175.14873	3.1
199.72810	1.4
203.18001	29.9
210.45358	1.5
217.47850	1.4
221.15610	2.6
221.19048	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.38099	1.1
52.36161	1.1
53.03948	1.8
55.05517	10.6
56.14038	1.2
57.07076	3.7
59.05001	1.1
65.03931	2.4
67.05508	7.9
67.45701	1.1
69.03429	1.3
69.07071	12.0
70.27034	2.9
70.27436	2.1
71.05003	15.7
73.06575	1.1
74.31326	1.1
79.05501	14.0
81.07060	46.1
83.04996	2.0
83.08624	4.4
85.06529	1.5
91.05495	9.4
91.51944	1.2
93.07050	32.9
95.04990	1.7
95.08616	28.5
97.06525	1.7
99.08099	5.4
99.61127	1.4
105.07040	21.3
107.08601	61.8
107.52458	1.1
109.06533	2.8
109.10170	17.8
111.08054	2.7
113.09631	1.6
119.08589	34.7
121.10146	10.6
123.08077	2.6
123.11715	18.8
125.09647	1.7
127.11196	4.0
131.08553	1.7
133.10147	25.8
135.11702	100.0
136.12050	1.3
137.09607	4.7
137.13277	2.5
145.10141	2.7
147.11700	16.5
149.13266	4.5
151.11185	3.9
161.09769	1.3
161.13284	13.2
163.14836	3.8
165.05479	1.4
165.12752	3.3
175.14862	2.7
177.16296	1.2
203.17976	32.6
221.15637	2.3
221.19025	37.4
221.21103	2.6
235.66020	1.2
237.53749	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20931	0.5
58.06597	0.8
60.08165	5.1
70.46501	1.0
70.46897	1.1
82.69276	0.5
86.21360	0.6
98.20843	0.6
103.09791	0.6
104.10747	100.0
191.05595	0.5
212.72504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03952	2.3
55.01852	1.6
55.05514	14.3
57.03428	4.1
57.07064	4.7
65.03954	1.8
67.05510	25.5
68.73045	1.4
69.03441	2.8
69.07078	18.5
71.04974	3.5
71.05659	2.0
71.05999	2.0
73.06563	3.5
79.05506	16.7
81.07063	66.7
81.50798	1.5
83.04985	3.3
83.08613	6.0
85.02902	1.8
85.06538	5.2
91.05473	14.6
92.15460	1.5
93.07048	29.0
95.08613	76.5
97.06536	47.6
97.10179	5.7
105.07038	41.7
107.08596	52.2
109.06526	4.2
109.10165	42.7
111.08092	26.6
111.11720	5.2
117.07082	1.8
119.08593	44.4
120.13306	1.6
121.09355	1.9
121.10148	19.5
123.08049	3.6
123.11720	21.1
125.09631	7.5
129.07068	1.7
133.10130	27.1
134.64503	1.6
135.11723	24.7
137.05962	9.7
137.09592	3.1
137.13231	3.7
145.10086	1.9
147.11691	42.5
149.13280	10.3
151.07503	2.0
151.11197	7.4
151.14836	2.5
157.33176	1.6
161.09554	2.4
161.13277	26.1
163.14859	21.0
165.12767	3.4
175.14827	25.7
176.15205	1.6
177.16411	3.4
179.10670	8.9
203.17961	100.0
204.18425	2.1
206.16116	1.7
221.04407	2.8
221.08134	1.8
221.09749	2.3
221.11711	30.7
221.15407	4.5
221.19016	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03932	2.0
55.01866	1.2
55.05515	16.5
57.03417	1.0
57.07081	6.0
59.04992	1.0
65.03941	1.3
67.05130	0.8
67.05510	16.7
69.03413	2.4
69.07072	19.4
71.04997	18.7
71.08630	0.9
71.51186	1.2
73.06553	1.0
77.03955	0.7
79.05498	21.7
79.34261	0.6
81.07062	78.3
82.07388	0.8
83.04998	4.3
83.08626	6.4
85.06552	4.4
91.05482	16.7
93.07048	50.8
95.04958	2.9
95.08611	38.5
97.06535	4.7
97.10183	3.4
99.08112	7.5
103.05413	1.3
105.07037	38.5
106.07349	0.8
107.04929	1.5
107.08601	70.3
109.06531	4.8
109.10165	28.7
109.10944	1.0
111.08072	4.2
111.11710	1.8
113.09633	1.6
115.05492	0.9
117.07025	2.9
119.08587	53.2
121.06535	1.9
121.10146	20.5
123.04420	1.1
123.08086	4.8
123.11713	18.5
125.09665	3.2
127.11181	4.8
129.07019	1.6
131.08591	2.1
133.06448	1.4
133.09129	1.7
133.10139	31.8
135.08049	2.4
135.11699	100.0
136.12035	1.4
137.05992	1.1
137.09639	4.9
137.13258	4.4
139.11194	1.3
142.07716	1.0
143.08618	1.7
145.06483	1.1
145.10133	4.9
147.08031	2.9
147.11694	30.7
149.06000	1.0
149.09663	0.8
149.13266	10.1
151.11165	4.7
151.14883	0.7
157.10144	0.9
159.11707	3.1
160.05162	0.8
160.12489	1.1
161.05984	1.5
161.09738	3.2
161.13271	19.1
163.11172	0.8
163.14816	6.2
165.06934	1.0
165.09161	4.1
165.12755	3.4
170.10892	0.8
173.13312	0.9
175.07552	2.2
175.11230	1.6
175.14853	7.5
177.09122	9.1
177.16373	2.9
179.14363	1.2
185.13292	1.1
189.05431	0.8
193.15811	1.0
203.07027	1.1
203.10896	0.9
203.14320	2.6
203.17975	39.5
204.18294	0.9
206.16240	1.2
221.04424	1.5
221.08026	2.0
221.11589	2.4
221.15689	9.5
221.19022	55.7
221.21924	2.7
233.41151	0.7
239.20531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.18782	1.2
55.05518	11.6
57.07072	4.5
57.42904	1.7
59.04999	1.4
60.95504	1.3
67.05512	10.5
68.90195	1.4
69.07072	10.1
71.05000	20.1
71.30214	2.3
79.05505	17.1
81.07060	54.2
83.05029	1.7
83.08627	8.4
85.06542	1.7
90.44974	1.6
91.05482	13.7
93.07053	33.5
93.07638	2.1
95.04960	2.8
95.08063	2.6
95.08616	30.6
97.06538	3.2
97.10160	1.6
99.08122	4.8
103.05506	1.9
105.07035	28.6
106.89271	1.4
107.04961	2.4
107.08601	63.8
109.06528	4.2
109.10171	24.5
111.08131	3.4
113.09682	2.1
117.07026	4.8
119.04945	1.6
119.08601	41.4
121.06509	3.2
121.10162	11.6
123.08078	4.7
123.11723	21.3
125.09632	1.7
127.11224	3.4
129.45767	1.4
131.08572	2.8
132.43651	1.7
133.10135	26.9
135.11700	100.0
137.09653	4.0
137.13243	3.9
143.08597	1.8
145.10164	5.6
147.08115	2.0
147.11705	25.9
149.02321	1.8
149.06035	2.3
149.13297	6.1
151.11240	3.8
157.10129	1.7
161.06023	1.6
161.09650	3.7
161.13280	15.0
163.14859	4.8
165.12775	4.0
175.07507	2.2
175.11223	4.9
175.14883	6.4
177.09143	6.7
177.14714	3.4
177.16344	2.1
193.15929	1.6
203.10681	2.3
203.14354	2.3
203.17969	32.9
214.17949	1.5
221.07970	2.2
221.11703	3.0
221.15442	5.1
221.17302	6.2
221.19070	47.9
238.63216	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1538
Annotation	Oblongolide
Peak:m/z	Relative Intensity
55.05521	3.1
57.07078	0.8
59.05013	0.7
60.24574	0.4
63.76704	0.5
67.05509	4.1
68.50736	0.4
69.03444	0.8
69.07071	5.7
69.81371	1.9
79.05503	3.2
79.24206	0.4
81.07063	12.3
82.06546	0.4
83.08626	1.0
85.02928	0.7
91.05484	8.2
91.06017	0.6
93.07051	7.8
95.04971	0.7
95.08616	13.7
97.06542	0.7
104.10768	4.1
105.07041	20.7
107.08605	6.9
107.13398	0.5
109.06528	1.3
109.10170	2.8
111.08077	0.7
114.92260	0.4
115.07567	0.7
117.07028	1.2
118.07410	0.4
119.08591	68.7
120.47551	0.5
121.06564	0.7
121.10154	3.3
123.08091	1.1
123.11749	0.5
129.07034	0.5
131.08566	2.3
133.10144	26.6
135.08136	0.5
135.11716	1.9
137.09616	1.3
145.10141	3.4
146.10812	0.4
147.08060	1.9
147.11705	16.3
151.07549	0.5
151.11194	0.6
151.14833	0.5
157.10164	3.1
159.11725	1.1
160.12473	0.7
161.09636	1.0
161.13277	1.2
162.05421	0.4
163.11177	0.5
165.09186	2.8
173.13307	0.5
175.14839	100.0
176.15184	1.5
177.16362	0.8
185.13235	3.2
193.15895	2.1
203.14322	6.2
203.18028	0.8
206.10974	2.7
206.16142	1.0
221.13251	2.7
221.15343	16.2
221.18849	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1174
Annotation	Flossonol
Peak:m/z	Relative Intensity
55.05504	0.7
65.31454	0.2
67.05497	0.7
67.92392	0.2
69.07066	0.7
69.48927	1.2
71.04977	0.3
75.97471	0.2
79.05482	0.9
81.07073	1.3
83.08627	0.4
85.06539	0.3
91.05482	2.3
93.07046	1.9
95.04990	0.3
95.08622	1.7
96.70829	0.2
97.06566	0.3
98.21454	0.4
103.05486	0.2
104.20365	0.2
105.07037	3.3
107.08594	1.7
109.06520	0.5
109.10161	0.8
111.08044	0.3
115.05470	1.7
116.06238	0.6
117.07033	4.9
119.04893	0.5
119.08596	3.6
121.06535	0.7
121.10141	1.0
128.06223	1.4
131.08572	0.3
132.05666	0.2
133.06523	0.9
133.10120	1.7
134.07315	1.3
135.08063	0.7
135.11740	0.4
139.93062	0.2
143.08525	1.0
144.05714	0.8
145.06517	1.1
145.10146	0.3
147.04442	0.2
147.08058	0.9
147.11674	1.2
149.09644	0.3
151.07521	0.2
159.11708	0.6
160.05220	0.4
161.06023	0.4
161.09674	0.3
161.13271	4.8
162.06773	6.0
165.09076	0.4
171.08086	0.6
175.07550	2.5
175.11192	0.5
175.14870	1.1
177.09119	100.0
178.09486	1.3
185.13257	0.2
203.10651	0.6
203.14336	1.3
203.18036	0.3
206.16159	0.3
221.11739	0.5
221.15358	1.9
221.17351	3.1
221.19153	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1538
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03949	6.4
55.01881	3.4
55.05517	17.0
56.96559	3.9
57.03429	1.7
57.07063	4.4
65.03948	3.7
67.05511	22.2
68.80988	1.5
69.03432	3.2
69.07074	19.5
70.39545	2.6
70.39922	3.4
71.04993	6.8
73.06546	1.9
77.03938	2.4
79.05019	1.8
79.05499	69.5
81.07063	70.5
83.04985	4.8
83.08625	11.4
85.06538	5.0
87.04497	3.0
91.05485	47.0
91.06023	3.1
93.07053	100.0
93.27299	1.6
95.04967	9.1
95.08614	47.1
97.06519	4.3
97.10194	2.9
98.20808	1.5
99.04457	4.8
99.08080	2.0
104.10764	8.4
105.04549	2.3
105.07040	69.7
107.04955	2.1
107.08603	92.6
109.06534	9.0
109.10167	22.9
110.81333	1.5
111.08085	4.7
115.05502	1.9
116.34355	1.5
117.07029	6.9
119.08591	73.8
121.06512	6.6
121.10152	30.5
123.08097	7.4
123.11707	9.5
125.06016	1.6
125.09703	2.5
127.07658	1.6
129.07005	5.3
131.08566	11.4
133.06483	3.7
133.10150	34.1
135.08089	5.6
135.11688	9.2
137.06033	3.0
137.09624	5.0
139.07539	2.4
143.08560	9.2
145.10144	4.5
146.86794	1.5
147.08070	6.1
147.11693	27.2
149.13243	2.9
151.07579	4.9
151.11194	2.7
154.98413	1.5
156.18954	1.4
157.01701	1.6
157.10110	4.9
159.11685	11.1
161.09669	9.2
161.13274	73.8
163.11211	2.4
163.14874	16.1
165.09134	7.1
165.12802	1.9
170.11101	1.8
175.11192	7.8
175.14836	29.9
177.16440	3.2
179.10707	2.2
185.13280	17.2
203.10767	4.2
203.14366	16.2
203.17986	23.8
206.10959	4.5
206.16272	4.6
221.04398	2.2
221.09874	2.1
221.11725	4.0
221.13414	3.9
221.15387	45.8
221.18970	17.9
222.18784	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1173
Annotation	Flossonol
Peak:m/z	Relative Intensity
55.05499	0.3
68.10441	0.4
69.03423	0.4
69.07055	0.4
70.42152	0.9
70.42550	0.6
75.87502	0.4
77.03928	0.3
79.05484	0.6
81.07057	1.1
85.06571	0.4
87.41318	0.3
91.05484	2.2
93.07043	1.3
98.20872	0.5
105.07034	1.1
107.04976	2.6
107.08585	0.6
109.10154	0.6
115.05447	1.5
116.06234	0.6
117.07023	4.6
118.06579	0.4
119.04929	1.1
119.06895	0.7
119.08580	1.2
121.06477	2.6
128.06233	1.5
129.06946	0.5
133.06499	0.8
133.10152	0.9
134.07265	0.9
135.08072	1.2
137.05977	0.4
143.08479	0.7
144.05696	0.6
145.06557	1.6
145.10088	0.5
147.04344	0.4
147.08035	1.1
147.11728	0.5
149.05989	11.2
154.06004	0.4
159.08047	1.0
161.06003	1.0
161.09666	1.7
161.13255	0.8
162.06769	5.9
171.07994	0.8
175.07570	2.8
175.11215	0.4
177.09117	100.0
177.14636	2.3
178.09441	1.4
203.10712	1.2
203.14027	0.3
211.40146	0.4
221.09656	0.7
221.11742	10.1
221.15312	0.9
221.17281	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	221.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50340	0.3
55.01869	0.5
55.05508	0.6
65.03943	0.4
67.05498	0.9
69.03417	1.1
69.07050	0.5
69.51953	2.2
79.05470	1.3
81.07046	1.2
83.04965	0.4
84.08109	0.4
91.05485	2.8
93.07053	1.6
95.08595	1.5
96.12704	0.4
97.06518	0.4
98.20793	0.6
98.97586	0.5
103.05450	0.5
105.07028	6.0
106.07388	0.4
107.04955	0.4
107.08601	1.9
109.06510	0.7
109.10090	0.5
115.05450	1.5
115.71289	0.3
116.06258	0.8
117.07016	5.7
119.04948	0.6
119.08621	2.6
121.06511	3.8
121.10145	0.9
128.06229	1.3
129.07071	0.6
131.08578	0.3
133.06497	1.9
133.10147	4.4
134.07242	1.3
135.08072	3.7
137.05971	0.9
137.09703	0.4
142.07773	0.9
143.08604	1.7
144.05734	0.4
145.06453	1.0
145.10048	0.6
147.04436	0.6
147.08052	1.0
147.11705	4.5
149.05984	4.1
149.09651	0.5
151.03888	0.4
151.07578	0.6
157.10088	2.6
159.11667	0.5
161.05963	1.6
161.09619	1.1
161.13252	0.9
162.06767	5.6
165.05505	0.4
165.09113	0.4
171.08025	0.6
175.07545	3.5
175.08911	0.4
175.09674	0.4
175.11176	6.5
175.14787	0.8
177.09111	100.0
178.09450	1.1
179.98732	0.3
181.20982	0.4
185.13246	0.3
193.08426	0.4
193.12296	0.9
203.06885	0.5
203.10657	1.9
203.18069	0.4
209.20288	0.3
211.45032	0.4
221.08026	1.5
221.09767	0.8
221.11688	4.5
221.15337	1.5
221.17319	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1174
Annotation	Flossonol
Peak:m/z	Relative Intensity
53.03940	0.4
55.05500	0.4
60.70588	0.2
65.03907	0.3
67.05490	0.5
69.03427	0.6
69.07058	0.3
69.40229	1.8
69.40635	0.5
71.04986	0.4
78.49723	0.3
79.05479	0.8
81.07050	0.6
83.01385	0.2
83.04962	0.3
83.73797	0.2
91.05491	2.5
92.24125	0.3
93.07063	1.3
95.04972	0.4
95.08624	1.2
98.20770	0.5
98.97592	0.4
103.05469	0.5
104.10758	0.5
105.07044	3.4
106.07353	0.3
107.08627	1.4
109.06519	0.7
109.10171	0.5
111.08110	0.2
115.05463	1.6
116.06216	0.7
117.07025	5.5
119.04933	0.3
119.08606	2.1
121.06493	2.3
121.10143	0.4
123.08031	0.5
128.06262	1.5
129.07042	0.5
131.08594	0.5
133.06500	1.5
133.10124	2.3
134.07277	1.2
134.31223	0.3
135.08072	2.4
137.05960	0.8
142.07771	0.6
143.08557	1.2
144.05716	0.6
145.06496	1.3
147.04390	0.3
147.08083	1.0
147.11723	1.9
149.05989	5.8
149.09622	0.6
151.07544	0.5
157.10130	1.2
159.08121	0.3
160.05278	0.7
161.05978	1.3
161.09656	1.2
161.13173	0.6
162.06775	5.7
165.05499	0.5
171.08076	0.7
175.07542	2.9
175.11200	3.1
175.14891	0.3
177.09117	100.0
178.09518	1.5
193.12306	0.3
193.15887	0.4
203.07007	0.4
203.10695	1.7
221.08118	1.3
221.11743	3.4
221.15298	1.2
221.17470	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
53.03968	0.7
55.01870	1.4
55.05505	4.4
56.96563	2.7
57.03442	1.0
57.07074	3.0
65.03918	0.8
67.05526	4.2
69.03430	2.4
69.07070	2.4
69.91209	1.6
69.91618	2.4
70.06573	1.4
71.04980	1.1
72.93800	0.8
72.98853	0.7
77.03912	0.7
79.05495	2.5
81.07069	6.5
83.04958	1.1
83.08611	1.7
84.08125	0.7
85.02919	1.5
91.05418	3.8
93.07045	3.2
94.06564	3.1
95.08638	3.7
95.29250	0.8
97.02882	1.1
98.27525	0.7
98.97590	7.9
103.05465	1.6
104.10757	12.2
105.07051	5.8
107.04929	1.9
107.08608	3.6
109.06513	2.4
109.10143	3.1
111.08110	4.4
115.05457	3.4
116.98639	2.8
117.07038	2.4
118.06541	1.1
119.04972	0.7
119.08599	5.6
120.08109	2.4
121.06489	5.8
121.10143	1.9
123.04452	0.7
123.08073	2.3
128.06241	2.5
128.98619	1.1
129.07033	4.4
130.06537	65.0
131.04945	2.5
131.08577	0.7
132.04466	37.8
132.08047	1.6
133.06512	3.0
133.10146	4.5
134.06110	1.0
134.99648	1.1
135.08081	2.2
135.11705	1.4
137.05995	2.3
137.09627	2.9
145.06474	1.0
147.04433	1.5
147.08046	2.4
147.09183	1.2
147.11725	1.5
148.07576	2.8
151.11176	1.1
153.09157	2.5
157.06462	3.7
157.07623	22.5
158.06030	77.2
158.99728	0.9
159.06355	1.0
160.05324	1.0
161.06015	6.3
161.09650	2.1
163.07510	0.9
165.09154	2.5
175.08707	100.0
175.14838	2.6
176.07060	2.8
176.09016	1.3
177.09178	1.5
179.10663	1.2
179.14217	0.9
185.06015	2.1
186.05534	2.5
189.05420	0.9
189.81522	0.8
193.15865	2.5
203.03444	1.0
203.06938	9.3
203.10654	1.2
203.14287	1.3
204.06561	4.9
206.16267	3.7
221.04512	1.7
221.09402	21.0
221.11736	2.3
221.13190	1.4
221.15031	4.2
221.18503	1.4
223.08012	0.7
225.04424	1.1
239.09575	1.2
243.05411	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	220.1698
Annotation	Fabianine
Peak:m/z	Relative Intensity
51.48102	0.3
53.92286	0.4
55.05499	0.3
66.37085	0.3
70.18083	1.1
81.07056	0.6
83.04959	0.3
91.05481	0.6
92.05824	0.3
93.07049	0.4
95.08611	0.4
105.07018	0.4
107.08572	0.5
111.08122	0.4
111.15679	0.3
117.07022	0.5
118.06554	10.9
119.07317	0.4
120.08120	0.4
120.08897	0.6
130.82123	0.3
131.08633	0.3
132.08084	3.3
133.08855	1.3
134.09642	0.8
136.12030	0.4
144.05664	0.3
146.09604	2.6
146.10590	0.4
147.10477	0.4
149.06030	0.4
162.06766	0.6
162.09143	5.4
176.10818	3.8
176.14360	29.1
177.07646	0.6
177.09119	9.6
177.11484	1.4
177.14700	0.5
190.09587	0.3
190.12265	3.9
191.12953	0.4
202.16689	0.9
205.15834	0.8
216.46231	0.3
220.16971	100.0
221.11755	0.6
221.17339	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	220.1183
Annotation	Pantothenic Acid
Peak:m/z	Relative Intensity
55.01860	3.5
55.05505	4.8
56.05035	2.2
56.96569	8.9
57.03434	3.6
57.07079	11.7
59.04998	7.0
60.04507	2.6
61.02900	1.3
64.46387	1.2
65.44577	1.3
67.05509	8.1
69.03426	4.4
69.07069	6.3
70.02943	7.4
70.06598	4.1
71.05004	1.5
71.50558	1.7
72.04526	13.7
72.08162	10.3
72.93807	1.6
73.02913	5.2
74.02435	5.3
79.05492	2.6
81.07057	5.9
83.04982	2.6
84.04502	3.5
84.08147	4.5
84.96044	1.8
85.02898	3.4
85.06557	10.8
86.06094	8.3
86.09719	3.8
87.04486	20.0
87.08067	2.2
88.03979	2.3
90.05560	100.0
91.05484	4.1
93.07042	2.0
93.55704	1.2
95.04980	8.8
95.08632	1.7
96.08125	2.3
97.02893	2.7
98.02416	15.9
98.06065	22.3
98.97586	12.1
99.04461	1.3
100.03990	2.9
102.05537	2.4
103.07574	8.0
105.07043	2.4
107.04974	1.7
107.08585	1.9
107.79454	1.1
110.97635	2.1
112.07600	1.3
113.06013	2.5
114.05532	1.5
116.03469	13.8
116.98646	5.9
119.08582	1.6
121.06542	1.5
122.10477	1.8
124.07608	16.9
128.10672	2.4
128.98654	2.2
132.04477	1.3
132.08899	1.3
134.10312	1.2
134.99596	1.8
136.06224	8.1
137.05981	8.8
140.10712	15.6
142.08638	7.8
145.06439	1.4
145.10178	3.2
146.06021	7.3
149.05991	1.3
151.11076	1.7
156.04427	2.4
156.10207	1.8
158.11780	82.9
158.99660	3.2
160.09685	4.0
161.05968	2.9
163.07550	1.9
163.60515	1.7
164.10753	1.7
166.08714	1.8
174.05528	5.5
174.09024	1.5
174.11256	3.4
175.07416	2.9
177.00746	1.9
177.12770	2.9
184.09717	19.3
192.06598	3.5
202.05052	1.6
202.10757	26.6
202.14413	6.5
203.07054	2.1
204.14703	8.1
205.15906	45.6
220.06171	1.8
220.09749	6.4
220.11830	33.4
220.15453	9.5
220.17891	35.6
221.04692	1.6
237.02756	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1182
Annotation	Pantothenic Acid
Peak:m/z	Relative Intensity
55.01878	1.4
55.05509	2.6
56.01390	0.6
56.05049	0.7
56.96572	3.6
57.03447	1.5
57.07076	9.2
59.04999	5.0
60.04529	0.7
67.05508	6.2
69.03436	1.3
69.07073	6.0
70.02958	7.4
70.06604	1.4
71.01823	1.0
71.02169	1.2
72.04520	17.8
72.08165	3.5
72.93793	1.0
73.02921	4.1
73.08465	0.7
73.41106	0.6
73.85678	0.7
74.02449	1.5
79.05503	1.5
81.03442	0.7
81.07053	2.2
83.04990	1.8
83.08638	0.6
84.04507	0.6
84.08164	1.4
85.02917	1.7
85.06549	11.0
86.06059	1.8
86.09700	1.6
87.04464	4.6
87.08099	1.7
90.05559	100.0
91.05454	1.4
93.07021	0.8
95.04977	7.3
96.08138	2.4
97.02863	0.7
98.02424	16.2
98.06061	6.8
98.81684	0.7
98.97591	3.6
100.03989	2.9
102.05551	0.8
103.05508	0.6
103.07582	7.0
105.07011	1.5
107.08492	0.6
109.02887	0.7
112.07625	0.9
113.06007	2.8
116.03459	14.2
116.98617	1.4
119.08603	1.3
120.08920	0.8
121.06521	2.0
124.06718	1.2
124.07600	21.2
128.04961	0.7
128.98576	0.8
131.07057	0.8
131.08630	0.9
131.33501	0.6
132.10225	0.7
136.06180	2.0
140.10718	5.1
142.08629	8.7
145.10132	2.0
146.05977	5.3
147.07942	0.7
149.09663	0.9
156.10222	1.0
158.11775	21.6
159.11703	0.7
160.09734	1.9
161.06029	3.7
161.09592	0.8
161.13139	0.7
162.05424	0.7
164.10605	0.8
166.08620	2.8
174.05513	1.9
174.09123	1.1
174.11244	1.6
175.07466	1.3
177.12782	3.2
184.08171	1.3
184.09703	19.7
190.09540	0.7
192.10249	1.0
202.08858	1.7
202.10756	29.5
202.14389	1.9
203.06996	1.6
204.14607	2.7
205.15887	25.2
220.06256	1.0
220.09840	2.6
220.11804	29.0
220.13770	1.7
220.15440	1.1
220.17879	15.1
221.04495	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
52.07814	0.9
53.03932	1.5
55.05518	5.9
62.33276	0.8
67.05508	16.5
69.03420	2.0
69.07067	6.8
69.63134	2.4
69.63541	4.0
71.05000	1.3
79.05495	7.9
81.07063	20.7
83.04995	1.6
83.08597	2.8
91.05507	5.7
91.43626	1.0
93.07045	15.4
95.08617	19.8
97.05927	1.7
97.06541	35.1
97.10163	1.5
105.07036	14.1
107.08602	15.6
109.06501	4.1
109.10160	32.1
111.08088	72.5
117.07034	2.7
119.08591	18.4
121.06496	2.4
121.10146	13.3
123.08072	25.0
123.11701	8.2
125.09631	2.4
131.08572	6.0
131.31357	1.0
133.10094	3.9
135.08084	9.9
135.11717	8.1
137.09628	15.2
138.10387	1.7
145.10129	13.5
147.11703	9.3
149.09647	5.9
150.10358	0.9
159.11699	10.5
161.09659	2.7
161.13303	8.2
162.10341	1.1
162.78603	1.0
163.11192	32.7
163.50626	1.0
173.13298	6.9
175.14803	2.7
176.11955	2.5
177.12738	3.6
177.16455	2.0
201.16377	14.8
203.14307	1.8
204.15080	1.8
219.17456	100.0
220.17732	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	219.1745
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
53.03932	1.0
53.41894	0.8
53.66257	0.8
55.05518	7.5
56.39154	0.9
57.07073	1.7
59.04995	1.8
67.05508	7.8
69.03399	1.1
69.07077	27.8
71.04989	3.1
71.06750	2.2
78.02926	0.9
79.03703	0.9
79.05499	5.1
81.07059	12.8
83.04961	2.6
83.08622	2.8
85.06535	2.8
87.94083	0.8
91.05479	7.7
93.07047	15.2
95.04985	2.4
95.08616	16.6
97.06516	2.2
97.10153	2.1
105.07037	16.7
107.08597	20.0
107.48927	0.9
109.06499	4.8
109.10165	20.6
111.08102	2.1
117.07023	4.7
119.08585	20.0
121.06503	2.4
121.10155	17.6
123.08089	3.4
123.11684	3.8
124.36311	1.0
125.09663	1.6
130.07709	1.1
131.08569	7.1
132.27074	0.9
133.10155	9.9
135.08025	3.4
135.10725	1.0
135.11707	12.2
137.09645	9.7
137.13287	2.4
143.93304	1.3
145.10126	17.4
147.11668	4.8
149.09641	8.6
149.13266	4.4
151.11174	2.2
159.11703	11.2
161.13263	11.3
163.11192	13.3
163.14845	1.5
166.63298	0.9
173.13287	3.5
175.14825	6.8
177.12724	3.3
177.16402	1.4
189.12704	1.6
191.14340	1.0
191.17943	8.3
201.16377	14.5
203.14302	2.6
208.93080	0.9
217.83118	0.9
219.17455	100.0
220.17769	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1746
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
51.17347	0.7
55.05507	3.5
57.07080	4.1
67.05519	6.3
69.03434	1.7
69.07072	5.6
69.29933	8.1
69.75679	1.0
71.04984	2.9
79.05492	3.7
81.07063	15.7
83.08636	2.0
91.05477	6.4
93.07056	15.4
95.04970	2.5
95.08617	15.3
97.06558	4.5
101.77683	0.9
105.07045	19.8
107.04966	1.1
107.08604	16.8
109.06553	5.3
109.10173	9.9
111.08083	3.0
115.05454	1.1
117.07040	3.1
119.08598	15.8
121.06512	5.4
121.10162	9.5
123.08060	2.6
123.11706	3.7
125.09633	1.4
129.07014	2.1
130.07785	1.8
131.08585	11.5
133.10153	10.8
135.08046	3.7
135.11720	7.5
137.09575	0.9
137.13289	1.2
144.09274	1.4
145.10143	33.6
146.10867	1.3
147.11696	9.6
149.09631	2.0
149.13254	3.5
157.10156	1.5
159.10469	1.6
159.11710	23.6
161.09618	0.9
161.13283	12.3
163.11201	7.1
163.14799	1.9
173.13263	7.2
174.06854	1.7
175.07585	1.4
175.14891	5.1
177.12738	2.1
177.16422	3.0
189.09134	1.7
191.17979	1.8
201.09169	1.8
201.16402	55.2
202.16760	1.9
219.10225	11.6
219.17465	100.0
219.21570	4.4
220.17743	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	219.1745
Annotation	(R)-(-)-Xanthorrhizol
Peak:m/z	Relative Intensity
53.03941	1.3
55.01871	1.1
55.05515	4.7
57.03418	0.8
57.07078	1.0
58.87873	0.5
63.63068	0.6
67.05509	12.8
69.03436	1.4
69.07092	3.1
69.32223	1.2
69.32629	3.5
79.05073	0.9
79.05499	13.6
81.03418	2.2
81.06595	1.0
81.07065	17.2
83.04965	0.7
83.08614	1.4
91.05486	15.2
93.07051	19.3
95.04968	1.7
95.08612	9.3
97.06527	2.8
99.39589	0.6
105.07040	5.7
107.04967	4.0
107.08602	10.4
109.06521	2.0
109.10167	5.1
111.08085	6.0
113.09595	0.7
117.07032	5.9
119.08598	6.1
121.06483	3.3
121.10159	6.5
123.08109	0.9
123.11711	14.6
125.09632	0.6
130.31204	0.5
131.08589	8.9
133.06520	0.6
133.10124	3.8
135.08092	3.0
135.11694	4.6
137.09613	1.3
145.10109	4.5
147.08063	0.8
149.09634	30.7
159.11697	3.6
161.09625	1.0
161.13264	6.8
163.11203	2.1
173.13266	1.6
175.14764	0.7
176.11995	0.6
177.12785	0.7
177.16315	0.6
187.71532	0.6
189.12811	5.2
198.13441	0.6
201.16409	2.2
203.14284	1.3
204.15128	4.8
219.17459	100.0
220.17766	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
51.21942	1.2
53.03951	1.4
55.05499	5.8
57.07064	3.9
65.59002	1.2
67.05511	12.7
69.03432	6.3
69.07059	5.9
69.67935	1.2
70.06596	3.4
70.13755	2.5
70.14149	3.2
71.04985	3.6
71.06934	2.6
75.96280	1.3
79.05489	11.9
81.07057	29.5
83.05000	1.5
83.08600	3.6
85.27381	1.4
88.07623	4.0
89.07964	3.2
91.05482	8.8
93.07050	24.0
95.04993	1.6
95.08610	30.1
97.06528	11.2
97.10163	1.8
105.07030	33.0
106.08643	3.0
107.08588	33.3
109.06509	4.2
109.10165	26.1
111.08086	6.3
117.07024	4.0
119.08592	23.6
121.06479	7.1
121.10148	14.0
123.08080	6.9
123.11702	5.4
125.09631	6.9
129.07016	3.5
130.07788	1.8
131.08559	14.6
133.10136	13.5
135.08049	4.0
135.11691	20.4
137.09570	1.5
144.09337	1.8
145.10127	37.5
147.11670	7.4
147.30423	1.3
149.09607	3.6
149.13200	3.7
159.08095	2.4
159.11699	27.5
161.13269	20.8
163.11198	7.2
163.14868	2.1
173.13266	11.7
174.06711	1.5
175.14845	6.5
177.12782	3.8
177.16364	2.9
187.07616	1.6
189.09065	3.8
191.17998	6.4
201.09232	1.8
201.16394	45.6
201.20441	5.4
219.10213	6.2
219.17455	100.0
219.21471	48.0
220.17784	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	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
55.05497	6.6
57.07064	5.5
67.05504	8.9
69.03419	6.2
69.07071	10.5
70.84042	2.0
70.84354	1.7
71.01653	1.5
71.04988	6.0
79.05495	7.7
81.07058	33.4
83.04964	2.2
83.08612	3.2
91.05479	11.9
93.07050	21.6
95.04971	1.8
95.08611	27.2
97.06523	5.7
97.10175	1.7
105.07033	34.9
107.08600	26.9
109.06519	5.3
109.10155	20.5
111.08062	6.2
117.07024	7.5
119.08583	27.3
121.06495	6.4
121.10137	17.4
123.08052	5.5
123.11694	4.4
125.09618	6.1
129.07001	2.7
131.08563	10.2
133.10141	22.6
135.08089	6.8
135.11710	14.8
141.06956	1.9
143.08525	2.0
145.10139	29.5
147.11703	11.3
149.09680	3.3
149.13292	2.5
157.10164	2.4
159.08051	2.9
159.11713	26.1
161.13277	22.4
163.11200	12.3
165.05421	1.6
173.13254	9.9
175.14873	9.9
177.16364	4.9
189.09079	2.7
191.17984	3.4
201.16399	52.5
203.14294	2.3
219.10382	2.6
219.17462	100.0
220.17093	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	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03939	2.0
54.67076	1.1
55.01871	1.6
55.05515	9.1
57.03445	1.2
57.07076	3.1
59.04990	1.5
63.30389	1.1
67.05510	12.6
69.03416	3.8
69.07078	10.7
70.68559	2.5
70.68906	1.5
71.05004	8.8
79.05499	11.7
80.70668	1.3
81.07062	28.2
83.04989	2.1
83.08621	3.7
85.06531	1.4
87.26808	1.1
89.78109	1.1
91.05490	20.4
93.07050	24.5
95.04989	2.1
95.08614	29.9
97.06528	9.1
97.10201	1.9
103.05465	2.6
105.07035	36.6
107.04939	1.3
107.08600	30.1
109.06520	6.6
109.10168	19.1
111.08086	4.3
115.05442	4.1
116.06201	1.1
117.07021	8.2
119.08592	35.9
121.06512	7.0
121.10149	20.2
123.08101	8.4
123.11691	3.6
125.09651	5.9
128.06242	2.0
129.07014	8.5
130.07767	3.2
131.08578	21.2
133.10146	27.2
135.08093	7.0
135.11682	17.3
137.06000	1.7
137.09659	3.8
140.76854	1.2
141.07022	4.9
143.08589	2.4
144.05701	1.9
144.09360	2.7
145.06458	3.1
145.10138	29.1
146.11006	1.1
147.11697	11.1
149.09613	4.5
149.13251	4.7
157.06543	3.2
158.07291	3.3
159.04396	1.3
159.08043	5.2
159.11702	33.4
160.05287	1.7
161.09702	2.4
161.13268	24.6
162.54446	1.2
163.11208	8.7
169.06502	2.1
173.09688	2.8
173.13289	11.0
174.06813	13.6
175.07516	3.8
175.14859	8.8
177.09157	3.7
177.12776	2.6
177.16371	3.6
186.06715	2.1
189.09128	16.9
191.14323	2.2
191.17984	5.1
201.09041	5.8
201.12608	1.1
201.16396	38.1
201.82124	1.1
203.14333	6.7
205.15898	1.4
219.06543	1.8
219.08167	1.4
219.10201	18.2
219.13841	5.2
219.17453	100.0
220.17508	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
55.05519	2.3
65.03934	0.6
67.05508	33.9
68.05842	0.5
69.03438	0.6
69.07063	2.6
70.95803	1.0
70.96152	0.6
77.62726	0.4
79.05495	2.0
81.07063	14.5
81.53300	0.4
87.26756	0.5
91.05486	1.8
93.07056	2.6
94.07856	0.5
95.04964	0.5
95.08605	2.8
97.06551	0.9
105.07010	1.7
107.08588	4.2
109.10161	100.0
110.10490	1.3
111.08117	0.7
113.56893	0.4
117.07021	0.6
119.08569	2.1
121.10160	2.0
123.08068	0.9
123.11711	0.8
126.87354	0.5
131.08575	1.6
132.70044	0.4
133.10135	1.6
135.08066	11.7
135.09015	0.9
135.11729	1.0
137.09634	0.8
145.10120	2.7
147.11722	1.0
149.13264	0.7
151.11220	1.2
159.11722	2.0
161.13280	1.7
163.11179	1.9
173.13286	1.0
201.16423	3.3
203.14362	1.5
219.17445	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	219.1744
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03939	2.4
54.30988	1.2
55.05504	8.6
59.02686	1.3
67.05506	9.5
69.03422	1.7
69.07058	5.6
70.75165	1.8
70.75504	3.3
71.04994	13.2
77.03917	1.4
78.77034	1.6
79.05499	11.7
79.70566	1.3
81.06594	2.0
81.07061	37.6
83.04983	4.0
83.08613	2.0
91.05486	23.3
93.07040	24.5
95.08627	11.3
97.06532	6.7
103.05466	2.3
105.07036	72.9
107.08594	18.3
109.06515	3.2
109.10165	9.6
109.54508	1.4
115.05432	1.9
117.07011	4.8
118.07687	1.5
119.08573	18.5
121.06500	4.1
121.10162	12.2
123.08051	3.9
123.11718	1.3
125.08766	2.2
125.09635	26.7
128.34839	1.2
129.07042	1.8
130.07703	2.0
131.08585	13.8
133.10138	100.0
135.08037	1.8
135.11646	2.8
139.11148	1.8
145.10133	15.3
147.11685	13.9
149.09558	2.7
149.13255	2.4
158.10941	1.8
159.08063	1.9
159.11696	17.6
161.13229	11.6
163.11214	1.9
173.13321	2.8
175.14824	4.7
177.16394	2.2
189.09102	1.5
201.16383	17.7
219.10034	2.2
219.17453	34.0
220.17033	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	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
55.05510	2.9
62.19520	0.5
65.02153	0.5
65.03939	0.9
67.05512	32.8
68.47723	0.5
69.07074	2.9
79.05485	2.1
81.07071	11.3
91.05489	1.1
93.07043	2.4
95.04963	0.6
95.08607	2.0
105.07064	3.8
107.08608	3.1
109.06497	1.0
109.10166	100.0
110.10506	0.9
111.08122	0.6
117.07037	1.1
119.08566	2.9
121.06493	0.9
121.10149	2.2
130.07869	0.7
131.08603	1.5
133.10161	2.3
135.08115	0.7
135.11661	0.9
145.10124	4.2
147.11665	0.8
149.09653	0.6
149.13268	0.9
151.11214	1.0
153.18846	0.6
159.11710	2.9
161.13260	3.8
163.07567	0.7
173.09666	0.8
173.13319	1.1
182.25049	0.5
201.09126	0.5
201.16431	4.0
203.14290	2.7
219.10172	1.3
219.13863	1.5
219.17453	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	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
51.78121	1.2
53.03943	1.3
55.05522	6.5
57.03472	1.2
57.07081	11.2
59.03583	1.0
60.30099	1.2
67.05511	16.0
68.81700	1.2
69.03425	6.6
69.07063	9.4
69.93355	4.5
69.93762	2.7
71.04996	3.0
79.05498	8.9
81.07063	27.1
83.04938	2.6
83.08597	3.3
84.92887	1.3
85.06506	1.2
91.05476	7.8
93.07051	24.1
95.04958	1.9
95.08616	26.1
97.06532	7.5
97.10168	1.5
105.06407	1.8
105.07043	23.9
107.08597	33.0
109.06509	4.3
109.10155	22.5
111.08073	5.4
117.07024	4.1
119.07723	1.6
119.08579	25.8
121.05711	1.5
121.06490	9.2
121.10141	19.0
122.47567	1.1
123.08070	7.5
123.11659	4.4
125.09614	4.5
129.06999	1.4
131.08565	13.1
133.10135	11.9
135.08057	9.2
135.11700	21.9
137.09573	1.4
144.09308	2.4
145.10127	28.8
147.11682	10.5
149.09581	4.0
149.13254	4.0
159.11703	27.7
161.13261	15.2
163.11197	15.0
173.13257	11.7
175.14786	12.6
177.12733	3.6
177.16394	3.9
191.17940	5.6
201.16393	49.5
202.16750	2.0
206.12059	1.4
217.19328	1.4
219.17448	100.0
220.17853	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	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03944	1.8
55.05502	7.9
57.03419	1.5
57.07080	7.6
65.03917	1.3
67.05513	10.9
69.03424	2.8
69.07075	11.5
70.31615	4.2
71.04990	2.3
71.08609	1.8
79.05512	7.7
81.07059	22.6
82.40476	1.0
83.04955	2.0
83.08607	5.1
85.06529	1.3
91.05470	9.1
93.07050	23.5
95.08611	23.2
97.06541	5.8
97.10160	1.5
105.07033	24.0
107.04951	2.0
107.08601	30.5
109.06522	10.9
109.10152	15.2
111.08064	5.2
117.07012	6.4
119.07807	2.0
119.08586	26.0
119.51899	1.1
121.06513	12.2
121.10149	23.0
123.08064	6.6
123.11720	5.9
125.09618	2.1
129.07074	2.0
130.07761	2.1
131.08589	11.4
132.91154	1.1
133.10139	12.7
135.08058	11.6
135.11707	14.4
137.09631	2.5
141.55817	0.9
143.08582	1.4
144.09338	1.9
145.09059	2.1
145.10136	31.0
147.11708	10.4
149.09593	5.7
149.13235	3.1
153.44313	1.2
159.11697	31.6
161.13275	16.1
163.11197	16.3
163.14850	1.8
173.09485	1.9
173.13327	8.1
175.14854	14.8
177.12759	4.5
177.16371	6.2
191.17999	5.3
201.16391	48.9
202.16609	1.5
203.14368	4.0
219.10132	2.5
219.17455	100.0
220.17769	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	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03935	3.0
55.05525	10.0
57.03418	2.0
57.07073	3.0
59.04996	1.3
67.05513	12.2
67.60014	1.4
69.03429	3.4
69.07077	13.1
70.75986	3.5
70.76319	1.7
71.05006	2.5
79.05486	11.4
81.07068	24.9
83.04985	2.1
83.08627	6.7
85.06529	1.5
91.05482	14.9
93.07054	31.2
95.04980	3.6
95.08618	26.3
97.06552	8.7
97.10158	3.7
99.08051	1.5
105.07048	30.8
107.08609	34.0
109.06543	9.8
109.10173	21.6
111.08076	5.6
113.06839	1.3
115.05412	2.0
117.07001	8.2
118.01178	1.5
119.08591	27.8
121.06508	6.3
121.10155	32.7
123.08064	4.8
123.11712	9.3
125.09659	3.0
130.07774	4.2
131.08575	17.6
133.10161	15.8
135.08076	4.4
135.11705	16.7
137.05904	1.5
143.08533	2.3
144.09415	1.8
145.06438	1.9
145.09058	2.8
145.10135	35.3
147.11693	13.4
149.09634	4.5
149.13254	4.1
151.11099	1.9
157.10132	2.3
158.10849	1.6
159.08112	3.3
159.11710	23.1
161.05969	7.0
161.13272	18.9
163.11223	11.3
163.14967	1.4
173.09583	3.5
173.13278	10.7
175.14799	8.8
177.09158	4.4
177.12784	4.6
177.16289	2.6
191.18001	8.0
201.09155	1.6
201.16394	49.9
202.16901	1.5
203.14304	5.1
219.10172	9.8
219.13922	3.8
219.17458	100.0
220.17845	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03946	1.9
55.05513	6.0
57.07074	2.9
59.31065	1.4
60.81322	1.2
65.03957	1.8
67.05508	34.8
69.03450	2.6
69.06789	1.0
69.07076	12.1
69.98342	5.6
71.04980	2.1
77.32212	1.2
79.05502	11.2
81.07065	29.9
83.08624	1.6
85.06529	2.0
91.05489	12.9
93.07051	21.8
95.04966	5.2
95.08611	26.0
97.06522	4.2
97.10174	1.3
105.07037	34.0
107.04983	2.5
107.08599	27.4
109.06529	6.1
109.10162	88.5
111.08109	6.3
115.05451	1.7
117.07036	9.0
119.08591	26.4
121.06498	2.9
121.10153	17.4
123.08092	3.9
123.11678	2.9
125.09628	3.2
129.07033	2.8
130.07768	2.7
131.08569	15.9
133.10130	17.1
135.08047	4.1
135.11702	10.4
137.09631	2.2
143.08557	3.0
144.09363	2.8
145.06419	1.7
145.10138	30.3
147.11691	7.6
149.09639	5.2
149.13231	4.6
151.11186	2.2
157.10147	3.2
158.10910	1.7
159.08052	1.5
159.11705	29.4
161.12006	1.7
161.13277	26.8
163.07544	1.8
163.11253	8.8
163.14812	2.4
164.08380	1.4
173.09641	3.3
173.13240	9.0
174.06828	1.8
175.14891	8.4
177.09143	4.1
177.12775	3.7
177.16364	1.5
189.09071	2.5
189.16379	2.3
191.17947	5.5
201.09129	3.1
201.16388	30.2
203.14336	4.1
219.06546	1.4
219.10297	6.5
219.13829	5.4
219.17451	100.0
220.17744	2.7
225.79797	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03932	1.3
55.01859	1.8
55.05514	8.2
57.03427	1.7
57.07085	7.1
65.03936	1.6
66.30560	1.2
67.05507	13.4
68.75086	1.1
69.03407	4.3
69.07065	11.8
69.29947	9.8
69.33040	1.1
71.04982	3.8
79.05125	0.9
79.05502	9.2
81.03407	1.4
81.07063	25.4
83.04990	5.2
83.08604	3.8
91.05483	17.6
93.06478	1.8
93.07046	25.8
95.04944	5.1
95.08064	2.0
95.08614	25.0
97.02927	1.0
97.06545	6.7
97.10168	1.4
98.97594	1.2
102.89515	1.0
103.05449	1.8
105.07034	29.9
107.04942	4.5
107.08599	27.8
109.06519	5.1
109.09479	1.6
109.10159	18.2
111.08087	6.6
115.05444	3.6
116.06248	1.6
117.07018	7.6
118.99966	1.1
119.07806	2.0
119.08585	26.8
121.06472	8.3
121.10151	21.5
123.08073	6.4
123.11697	5.0
125.09588	3.9
128.06223	4.2
129.07005	11.2
130.07799	2.6
131.04922	3.5
131.08578	24.2
133.06487	3.2
133.10133	14.6
135.08070	6.3
135.11678	15.7
137.09573	2.8
141.07018	10.3
143.08534	2.5
144.05714	1.7
144.09364	2.4
145.06502	3.0
145.09068	2.0
145.10138	30.3
146.07164	1.4
146.10909	1.5
147.08043	2.2
147.11682	8.0
147.78629	1.2
149.05978	4.4
149.09607	5.1
149.13199	4.3
150.10449	3.2
157.06483	6.3
157.10153	1.8
158.07274	5.0
159.04404	1.9
159.08064	12.8
159.11696	29.3
160.05234	1.2
161.05968	3.5
161.09601	3.3
161.13257	22.5
163.03917	1.4
163.11188	14.4
163.14842	1.8
169.06494	5.1
170.07314	1.3
173.06003	2.1
173.09662	2.3
173.13280	11.9
174.06754	17.6
175.07573	6.1
175.14847	9.7
177.09106	5.7
177.12711	2.6
177.16414	4.5
186.06718	4.8
187.07513	2.6
189.09135	22.5
191.17967	4.5
199.54771	1.5
201.09090	10.1
201.16394	36.8
203.14244	5.9
219.10205	37.6
219.13821	8.5
219.17441	100.0
220.10510	1.2
220.17018	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	219.1746
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
54.59864	0.3
55.05506	0.8
57.07081	5.6
58.06596	0.6
58.07418	2.7
62.06089	0.7
67.05515	2.1
69.03418	0.5
69.07072	1.9
69.24065	2.9
70.06599	10.5
71.04982	0.9
71.06296	0.5
71.06930	4.9
71.08636	3.1
72.08979	1.8
75.83583	0.3
79.05486	1.6
81.07063	4.3
83.04987	0.3
83.08641	0.4
85.06548	0.4
88.07640	13.4
89.07386	0.5
89.07965	6.3
90.87298	0.3
91.05486	2.7
93.07053	3.4
95.08616	4.0
97.06525	1.1
98.21502	0.6
102.09193	3.6
103.05463	0.6
103.09512	2.2
105.07035	5.1
106.08025	0.5
106.08682	6.8
107.08572	3.0
107.09086	1.5
109.06520	1.2
109.10175	3.1
111.08108	0.7
115.05453	1.1
116.06223	0.5
117.06981	1.4
119.08598	4.7
121.06524	1.3
121.10168	3.1
123.08051	1.3
123.11688	0.9
125.09614	0.7
128.06232	1.2
129.07033	4.3
130.07816	0.5
131.04947	1.0
131.08574	6.2
133.10149	3.5
135.08083	1.2
135.11737	1.7
137.06021	0.4
137.09599	0.5
141.07004	3.5
143.04877	0.3
143.08563	0.5
144.05693	0.4
144.09319	0.3
145.06482	1.1
145.10117	4.3
146.07245	0.8
147.11665	1.3
149.09612	0.7
149.13268	0.5
157.06506	1.7
157.10124	0.4
157.17863	0.6
158.07259	2.5
159.08052	2.7
159.11702	4.6
160.05228	0.6
161.09622	0.7
161.13263	3.1
163.07542	0.4
163.11249	1.5
168.88112	0.3
169.06496	1.2
170.07306	0.6
173.05984	0.5
173.09650	0.5
173.13246	1.4
174.06783	6.3
175.03789	0.3
175.07504	1.3
175.14877	1.5
175.18900	1.2
176.08324	0.3
177.09093	0.4
177.12813	0.5
177.16380	0.4
186.06813	1.4
187.07513	0.4
188.08385	0.5
189.09125	8.7
191.10661	0.9
191.14365	0.3
191.17955	0.5
201.09128	4.1
201.12733	0.4
201.16411	6.1
201.18144	0.5
201.18549	0.5
201.20461	8.7
203.14314	1.0
219.06720	0.7
219.10182	7.9
219.17543	14.6
219.21513	100.0
220.17058	0.5
220.21823	0.6
224.79094	0.3
227.95692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05506	1.7
56.80876	1.4
57.03426	1.9
67.05495	5.0
69.03421	2.1
69.07076	2.6
71.10095	3.0
79.05493	3.0
81.07061	7.3
91.05485	14.1
93.07043	4.1
95.08617	6.7
97.06531	2.4
103.05476	3.0
103.44789	1.2
105.07053	8.9
107.08617	6.0
108.04316	1.1
109.06561	1.3
109.10159	4.0
111.07996	2.1
115.05444	10.1
116.06229	3.9
117.07024	5.1
119.08587	5.4
121.06522	2.0
121.10129	4.6
123.08064	1.4
123.11685	1.4
128.06248	9.6
129.07013	44.8
130.07790	2.6
131.04939	8.2
131.08571	43.0
133.10130	4.6
135.08102	3.5
135.11714	3.9
137.05994	4.5
141.06996	37.1
143.08472	1.7
144.05721	8.0
145.06502	10.9
145.10133	9.2
146.07281	5.8
147.11697	2.9
148.05147	1.3
149.09526	1.4
157.06493	22.7
158.07280	21.2
159.04422	3.6
159.08075	31.2
159.11697	7.3
160.05188	4.2
161.05997	1.5
161.09602	3.6
161.13269	4.0
163.07542	4.3
163.11198	3.2
168.05765	1.7
169.06467	15.7
169.07649	1.9
170.07300	6.0
171.08134	1.4
173.05974	5.2
173.09578	2.9
173.13254	3.1
174.06781	80.1
175.07530	15.5
175.14809	1.8
177.09135	1.7
177.12733	1.9
185.05994	1.6
186.06769	20.1
187.07574	1.6
188.08353	4.8
189.09122	99.2
190.09523	1.4
191.07076	2.6
191.10689	7.8
201.09111	40.2
201.16359	7.3
203.14360	3.6
219.10179	100.0
219.13791	5.0
219.17439	24.7
220.10542	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	219.134
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
51.46422	0.5
55.05509	1.0
56.96568	2.9
57.02415	0.6
57.07073	0.7
60.04527	100.0
63.74941	0.6
69.02846	0.6
69.03423	0.8
69.07066	1.8
70.02950	1.0
70.06598	0.8
70.98090	0.9
70.99787	1.7
71.01363	0.9
72.04544	0.7
72.08156	2.6
73.02940	0.7
74.06081	1.8
75.64924	0.7
79.05476	0.9
81.07072	1.2
84.08150	2.0
86.09708	69.1
87.04475	1.5
87.05592	3.6
90.05558	0.8
91.05492	1.6
93.07040	1.5
98.06068	0.9
98.97581	12.2
101.00908	0.9
105.07043	1.0
110.97563	1.1
114.33452	0.8
116.98615	3.4
119.01893	1.4
119.08582	1.6
121.10183	1.5
126.09140	0.7
128.10703	3.7
128.98663	0.9
129.06982	0.7
131.08578	1.1
132.10207	46.5
133.10117	1.0
134.99652	1.5
136.01302	0.7
143.03548	0.6
145.10153	1.1
147.11688	0.7
155.18774	0.7
157.07568	0.7
158.11800	4.6
158.99651	1.9
159.02913	0.9
161.09604	0.7
161.13148	0.7
162.05452	0.8
169.05023	0.9
169.06480	0.8
173.09662	0.8
173.12865	27.8
174.06792	1.0
177.00728	1.7
177.05490	0.8
189.09059	2.3
201.09114	0.8
201.12326	3.7
203.14334	7.8
219.01704	1.0
219.06917	1.1
219.10263	2.1
219.11339	0.9
219.13359	8.2
219.17451	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
54.98227	1.2
55.05503	1.7
67.05493	4.0
69.07089	1.5
69.51382	8.9
71.04977	3.8
77.04589	1.4
79.05490	3.5
81.07059	5.3
85.06596	1.3
91.05500	15.5
93.07035	4.0
95.08606	5.0
103.05456	3.1
105.07030	11.8
107.08557	4.2
109.06484	2.2
109.10154	2.4
115.05447	15.1
116.06252	4.3
117.07019	5.6
119.08621	6.6
121.06474	1.9
121.10126	2.9
125.09617	2.4
128.06227	13.2
129.07016	46.4
130.07787	3.2
131.04935	8.7
131.08582	44.1
132.08902	1.3
133.10143	13.3
135.11688	1.4
137.05945	3.9
141.06996	39.2
143.04955	2.6
143.08569	2.8
144.05707	7.0
145.06482	7.4
145.10133	5.2
146.07277	5.6
147.08043	1.9
148.05228	1.8
149.13210	1.2
155.06053	1.7
157.06493	26.0
158.07277	23.2
159.04462	3.9
159.08064	34.1
159.11711	7.0
160.05200	6.4
161.09662	3.3
161.13249	2.7
163.07555	3.5
169.06499	16.3
169.07706	1.3
170.07297	6.5
171.08012	1.7
173.05989	4.8
173.09694	1.5
173.13319	2.8
174.06779	79.9
175.07571	19.6
185.05873	2.2
186.06770	17.5
187.07448	2.1
188.08289	2.7
189.09119	98.6
190.09450	1.9
191.07080	1.6
191.10741	7.6
201.09131	41.8
201.16402	2.8
203.14348	1.4
219.10181	100.0
219.13795	4.2
219.17433	18.4
220.10414	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.20972	1.1
57.03435	1.4
62.21663	1.2
65.42424	1.1
67.05500	2.8
69.32811	10.1
69.33154	2.3
71.05005	3.4
72.83298	0.9
79.05501	1.2
81.07074	3.4
84.81136	1.3
91.05492	13.7
93.07048	2.7
95.08611	2.7
98.21442	2.8
103.05468	3.2
105.07059	5.4
107.08597	2.3
109.10165	1.6
115.05454	11.5
116.06290	2.2
117.07025	3.6
119.08567	5.6
121.10207	1.4
123.08054	1.3
128.06223	10.2
129.07021	43.0
130.07787	1.9
131.04942	10.1
131.07599	2.2
131.08580	38.1
133.10153	9.0
137.05981	3.8
141.07007	36.6
142.07326	1.8
143.04913	1.3
143.08594	2.6
144.05719	6.7
145.06511	7.8
145.10123	2.0
146.07269	4.4
148.05211	2.0
155.06073	1.8
157.06496	23.5
158.07301	22.6
159.04427	2.6
159.08076	26.8
159.11708	2.8
160.05176	6.2
161.05971	1.9
161.09657	4.8
161.13206	1.5
163.07523	1.4
169.06467	16.2
169.07599	2.0
170.07268	7.9
171.08067	1.4
173.05988	4.4
173.09637	1.9
173.13258	2.1
174.06783	76.6
175.07507	12.0
175.71700	1.3
186.06775	20.6
187.07465	2.4
188.08359	4.4
189.09122	98.8
190.09453	2.4
191.10710	6.7
201.09120	43.0
201.16365	2.4
219.10185	100.0
219.17355	9.9
220.10468	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	219.1017
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.48995	1.0
61.72685	1.1
66.57169	1.0
67.05487	1.5
68.06695	1.0
69.82229	5.9
91.05484	10.4
103.05450	2.4
115.05464	10.3
116.06220	4.4
117.07007	3.8
123.83673	1.0
128.05392	1.5
128.06232	13.8
129.07011	43.2
130.04134	1.1
130.07759	2.7
131.04916	7.9
131.08577	38.9
133.10081	1.3
137.06001	3.9
141.06995	39.6
143.05043	1.8
143.08530	2.6
144.05717	5.8
145.06516	6.9
146.07274	4.3
148.05208	1.8
155.06027	2.4
157.06488	23.8
158.07281	25.0
159.04396	4.0
159.08069	27.0
160.05217	4.8
161.06000	1.5
161.09619	4.0
163.07579	2.6
168.05626	1.6
169.06471	16.4
169.07697	2.5
170.07294	6.2
171.08015	2.0
173.06032	5.9
173.09628	1.5
174.06778	82.7
175.07526	10.2
186.06752	20.7
187.07446	3.1
188.08356	3.4
189.09117	100.0
190.09380	1.3
191.06993	1.4
191.10724	9.5
201.09120	38.7
219.10167	91.2
219.17453	3.3
220.10492	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30605	45.7
55.92310	50.2
61.39301	51.1
70.92815	99.0
74.74059	51.7
78.91741	51.4
94.93044	70.3
102.09155	100.0
152.58609	52.6
219.02678	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18473	51.5
71.10154	100.0
151.43626	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	219.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79510	100.0
69.79918	62.2
114.95851	36.6
159.58913	28.7
223.15230	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	219.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77394	1.1
55.05499	3.6
56.96565	14.3
57.03422	1.6
58.99865	1.4
61.02915	1.9
69.03432	1.8
69.07048	1.4
69.36169	8.9
70.98112	3.6
70.99838	1.7
71.01342	2.7
72.08138	2.7
73.02915	3.6
73.06547	1.7
74.06074	4.8
74.09698	1.4
82.99825	7.4
83.00282	1.0
83.04971	1.1
84.04509	1.4
84.08138	8.0
85.01375	1.6
85.02887	3.0
86.09705	2.0
87.01171	1.5
89.00902	1.6
91.05468	1.1
93.07077	1.2
94.06565	1.4
97.02908	2.5
98.97588	75.1
100.02443	1.8
100.06403	1.0
101.00885	55.1
102.00979	1.7
103.00644	11.2
103.02433	2.4
105.02203	3.0
110.97572	3.5
112.99156	1.8
113.00861	16.2
113.01563	1.5
115.00694	1.8
115.02440	4.0
116.98634	23.7
118.08665	1.8
119.01924	92.3
120.02006	3.1
121.01678	16.1
121.02473	1.8
121.10131	1.6
127.02420	2.1
128.10715	2.1
128.98621	5.0
129.02211	1.6
129.03978	2.6
131.00276	1.9
131.01915	44.1
132.02060	1.6
133.01685	2.4
133.03488	9.9
134.99683	4.0
135.03171	1.7
137.01213	2.8
137.02934	11.5
138.76384	1.0
139.02681	1.7
140.98671	1.1
142.03568	1.7
143.01895	9.8
145.01744	1.3
145.03522	7.0
146.99677	3.7
147.03209	17.4
147.04922	1.8
147.05798	4.8
147.55902	1.6
149.01169	2.0
149.02939	7.5
149.06567	1.4
155.01935	4.7
157.03510	2.6
158.99681	9.6
159.01450	2.6
159.03223	4.0
159.05040	2.4
161.02985	10.2
162.03146	1.4
163.02634	1.4
165.00739	1.6
165.04291	3.8
171.05040	6.3
173.01389	2.6
173.02963	26.0
173.04498	1.5
173.13002	1.2
175.04617	2.2
177.00740	20.1
177.02469	5.7
177.04297	9.2
177.05894	1.8
181.03622	1.4
183.01447	3.9
185.06596	1.3
189.00685	1.2
189.06090	4.3
191.02290	6.5
191.04057	9.4
195.01793	6.6
195.03520	1.5
195.05219	6.1
196.04549	5.7
201.02454	100.0
202.02643	3.8
203.14359	6.7
209.03268	2.4
219.01874	5.7
219.03543	88.7
219.05139	5.1
219.06909	19.7
219.08937	2.2
219.17447	20.7
220.03790	3.4
224.03819	1.4
237.02843	4.0
237.06416	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	218.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.2
57.07080	7.6
58.06589	0.6
62.06088	0.6
68.05026	0.2
69.67145	0.3
69.67551	0.7
70.06599	13.9
71.08636	4.8
74.06099	0.3
79.52174	0.1
86.06036	0.2
88.07640	19.9
102.09190	5.6
105.07020	0.2
106.08676	10.4
108.45528	0.2
108.46207	0.1
109.62926	0.1
124.11552	0.2
156.17467	0.4
174.18558	1.4
184.43234	0.2
200.20114	8.4
218.21169	100.0
219.21513	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	11.1
70.91457	0.9
70.98124	11.3
71.95274	1.4
73.30685	0.5
84.08166	0.8
84.96048	0.5
86.09718	1.7
88.99190	2.2
98.97593	100.0
101.00896	1.3
110.97593	0.5
112.99170	0.9
113.85319	0.5
115.00719	1.2
116.98633	22.7
118.63533	0.4
119.01871	0.5
128.10738	0.5
128.98621	4.7
129.02235	1.1
131.00197	4.0
133.03412	0.7
134.99667	3.3
143.01889	0.6
146.99661	3.4
147.03253	0.7
149.01253	1.7
149.94078	0.5
158.99673	9.9
159.03363	0.7
165.00729	1.4
166.84552	0.5
175.11655	0.7
177.00734	28.9
177.04160	3.0
189.00725	1.8
195.01776	8.0
195.05446	1.6
207.01805	1.4
219.01817	2.5
219.05382	1.2
219.07210	1.3
237.06491	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1951
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
55.05514	19.5
56.99919	1.1
57.07074	1.7
65.03931	1.7
67.05506	27.1
69.06796	1.0
69.07069	12.4
73.34102	1.3
79.05489	18.8
81.06594	2.6
81.07058	42.6
83.04978	13.7
83.08627	6.2
87.04438	2.1
89.06031	2.4
91.05482	17.0
92.76904	1.2
93.06488	2.3
93.07047	36.5
95.04969	2.5
95.08611	50.4
97.10138	2.2
101.05998	5.0
105.06403	2.2
105.07039	27.1
107.08598	38.2
109.06512	1.2
109.10162	36.8
111.04435	18.0
113.06000	2.7
117.07027	1.6
119.07807	2.1
119.08588	24.8
121.10143	47.6
123.11713	15.4
127.07525	1.7
129.05472	3.8
129.07001	1.7
131.08548	3.3
133.10133	20.6
135.10701	2.2
135.11694	33.2
136.09987	1.4
137.13260	2.4
143.08572	1.5
145.10100	2.9
147.08092	1.6
147.11687	30.6
149.13240	6.8
155.07050	23.3
157.10155	2.4
159.11690	3.6
161.06007	1.5
161.09637	3.1
161.13260	39.9
171.11699	1.7
173.08090	11.8
173.13194	1.5
175.11227	1.7
175.14807	8.5
189.16409	3.2
199.11485	1.4
199.14876	2.2
217.10657	13.0
217.12379	3.6
217.15871	4.9
217.19511	100.0
218.19821	3.7
228.93857	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1588
Annotation	Mutisianthol
Peak:m/z	Relative Intensity
53.03947	0.7
54.51611	0.4
55.01886	1.1
55.05516	6.5
57.07079	2.7
59.05002	0.4
63.46220	0.3
67.05506	3.8
69.03439	1.6
69.07071	2.8
71.05008	0.5
71.08636	2.5
71.50888	0.4
71.51254	0.4
72.74709	0.3
77.03944	0.6
79.05497	3.3
81.07063	4.1
83.04987	9.1
83.08654	0.9
85.06560	1.0
87.04470	0.9
89.02403	1.1
89.06049	1.2
91.05479	7.3
91.06013	0.5
93.03428	0.3
93.07035	4.0
95.04980	1.6
95.08595	2.2
97.06564	0.6
99.04455	0.7
101.06021	3.5
103.05471	0.6
105.04494	0.5
105.07038	16.1
107.04955	1.4
107.08611	4.0
107.20174	0.4
107.58046	0.3
109.06527	1.2
109.10165	3.2
111.04445	13.2
113.06022	1.0
115.05461	2.4
116.06273	0.7
117.07027	4.1
119.04955	0.4
119.08582	6.6
121.06508	15.3
121.10149	0.6
127.07571	2.0
128.06209	6.2
129.05530	2.1
129.07002	6.7
130.07777	1.0
131.04964	0.4
131.08578	5.3
132.05768	0.6
133.06485	3.2
133.10139	8.9
135.04375	0.4
135.08061	17.5
137.06015	1.1
141.06949	2.1
142.07771	4.3
143.08574	8.6
144.09300	0.7
145.06500	2.5
145.10138	5.0
146.07280	7.4
147.08067	9.0
147.11703	3.0
149.06123	0.3
149.09639	0.8
153.07011	0.8
155.07051	14.8
155.08478	1.3
156.09361	3.3
157.06482	1.1
157.10146	6.6
158.10789	0.4
159.08049	3.5
159.11682	1.9
160.08838	3.5
161.05977	1.5
161.09622	100.0
162.10014	1.2
165.07008	0.6
166.07739	0.6
169.06445	0.4
169.10127	0.6
171.08035	2.9
171.11699	11.1
173.08096	8.4
173.09628	3.2
173.13205	0.6
174.02818	0.4
174.10397	0.8
175.07576	1.5
175.11195	23.2
176.11481	0.5
181.10112	1.2
184.08798	0.8
188.12048	0.4
189.09114	1.5
189.12737	2.1
189.16348	0.6
199.07628	0.9
199.09610	0.5
199.11206	4.3
199.14795	2.2
202.02672	0.5
216.11993	0.4
217.05017	1.2
217.08578	3.5
217.10645	4.6
217.12280	11.8
217.15871	42.6
218.16106	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1588
Annotation	(+)-Anhydro-beta-rotunol
Peak:m/z	Relative Intensity
51.02377	1.4
53.03926	2.9
55.01878	7.4
55.05275	1.8
55.05513	26.6
57.07051	2.7
59.04991	3.3
67.05505	15.1
69.03438	10.5
69.07051	7.4
69.29575	11.6
71.04977	6.0
77.03912	2.1
79.05074	2.1
79.05500	30.8
81.07059	55.8
83.04510	2.0
83.04984	38.6
83.08594	4.1
87.04465	4.3
89.02383	2.6
89.06017	5.1
91.04977	2.1
91.05487	24.5
93.07049	25.0
95.04959	6.5
95.08611	8.2
97.02867	1.9
97.06510	7.5
99.04451	2.9
101.06036	10.7
103.05443	3.5
105.04440	1.9
105.07036	58.0
107.04950	7.3
107.08602	13.2
109.06526	41.9
109.10142	5.6
111.03729	3.0
111.04447	43.3
111.08016	2.1
113.06011	6.1
113.85887	1.5
115.04225	1.5
115.05436	4.8
117.07034	8.8
117.07729	1.5
119.04966	8.6
119.07803	2.2
119.08590	27.0
121.06512	100.0
121.10112	3.5
123.04424	2.4
123.08009	6.5
127.07555	18.8
128.06236	15.8
129.05521	7.0
129.07005	16.4
130.07764	3.1
131.04895	1.7
131.08553	14.8
133.06537	9.4
133.10139	17.7
135.04396	6.2
135.08064	15.9
137.05954	5.2
141.07001	6.1
142.07794	18.2
143.08569	27.2
144.05620	1.9
144.09270	3.7
145.06398	5.1
145.09073	2.1
145.10135	28.3
146.07278	7.6
147.08043	14.9
147.11740	12.4
148.76984	1.5
149.09543	1.6
149.79602	1.5
153.06999	3.1
155.07059	53.9
155.08466	5.3
156.05675	4.5
156.09352	10.2
157.06465	5.3
157.10141	37.3
158.07312	2.5
159.08020	5.2
159.10487	1.8
159.11691	22.0
160.08885	1.8
161.05945	5.6
161.09630	69.7
161.13231	6.5
165.07013	1.9
166.07741	6.8
169.10191	1.9
171.07999	6.7
171.11694	26.6
172.05194	2.7
173.08069	27.8
173.09563	6.9
173.10895	1.8
173.13229	6.7
174.06789	2.6
174.10548	2.3
175.07617	12.1
175.09821	1.9
175.11218	30.6
175.14699	2.0
181.10092	6.6
184.05257	1.5
184.08813	6.3
185.05788	1.8
187.07529	3.7
188.08308	3.5
189.09097	6.5
189.12733	14.1
189.16364	5.1
199.07458	4.1
199.09547	3.5
199.11194	32.8
199.14796	18.2
217.04985	3.4
217.08543	12.5
217.10585	17.9
217.12227	52.8
217.15834	56.9
217.19102	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	217.1589
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
52.09951	1.5
53.03947	1.9
55.01873	3.4
55.05515	48.9
59.04994	6.0
64.55187	1.5
66.46211	1.5
67.05508	15.1
67.80812	1.5
69.03436	16.7
69.07070	9.4
69.53407	5.0
69.53812	5.5
70.06595	1.8
71.05000	3.8
72.08156	1.7
73.02906	2.4
79.05506	14.2
81.07060	22.8
83.04986	64.6
83.08617	5.7
84.08137	1.7
85.06549	7.2
86.06082	2.0
87.04476	5.5
88.11263	2.2
89.02370	4.6
89.06049	11.0
91.05484	40.5
93.07042	21.8
95.04983	3.7
95.08604	18.9
97.10191	1.6
99.04453	4.1
101.06028	20.0
103.05454	2.1
105.07038	62.5
107.04901	2.2
107.08598	18.6
109.06513	7.1
109.10190	8.5
111.04449	97.0
111.08060	3.2
113.06002	7.7
115.05440	6.5
116.06203	2.1
117.07015	14.4
119.04948	4.8
119.08600	34.4
121.06484	8.7
121.10139	6.3
123.08083	6.5
127.07560	9.1
128.06218	12.5
129.05504	16.7
129.07013	20.8
130.07826	3.1
131.08586	49.7
133.02859	4.1
133.06503	4.2
133.10135	30.0
135.08040	6.3
137.05969	5.9
137.09526	2.1
141.06929	4.2
142.07782	17.3
143.08568	43.9
144.05696	2.3
144.09351	8.1
145.06519	2.4
145.10146	22.5
146.07181	2.6
147.08067	10.0
147.11671	10.0
149.09741	1.8
155.07043	100.0
156.05682	7.2
156.09317	4.7
157.06564	2.9
157.10149	56.4
159.08119	3.6
159.11705	78.6
161.05997	4.9
161.09654	33.2
161.13272	3.8
169.10216	2.3
171.08046	3.8
171.11684	16.1
172.05252	2.5
173.08122	59.1
173.09538	2.3
173.13219	14.1
174.06796	2.9
175.07529	12.2
175.11259	12.1
175.14816	4.4
184.12509	3.7
187.07544	3.3
188.08366	3.0
189.09076	5.7
189.12718	5.8
189.16333	14.4
197.12993	2.0
199.07632	3.3
199.09669	5.6
199.11429	6.8
199.14838	49.3
202.02632	2.3
202.09865	2.4
217.05014	3.9
217.08591	16.8
217.10699	47.7
217.12379	14.7
217.15874	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	217.1589
Annotation	Mutisianthol
Peak:m/z	Relative Intensity
55.05511	2.4
57.07076	3.9
66.75227	0.4
67.05511	2.0
69.03436	0.5
69.07066	0.6
69.32572	3.6
70.72946	0.4
71.08639	5.4
79.05467	0.9
81.07034	0.9
82.73403	0.4
83.04987	2.9
83.08606	0.5
84.98317	0.4
89.06036	0.4
91.05479	1.7
93.07047	1.7
95.04958	0.5
101.06029	0.8
105.07034	11.2
107.04939	1.1
107.08586	1.5
109.06527	0.6
109.10158	2.0
111.04445	3.8
113.05997	0.5
115.05476	0.6
116.08111	0.4
117.07013	1.0
119.08576	2.9
120.51046	0.4
121.06518	9.6
121.10139	0.9
127.17775	0.4
128.06218	1.1
129.05469	0.5
129.07048	0.5
131.04987	0.4
131.08585	1.4
132.05687	0.5
133.06503	2.0
133.10136	9.2
135.08061	9.7
142.07794	1.1
143.08591	2.0
145.06519	1.6
145.10133	0.7
145.35243	0.4
146.07269	6.9
147.07108	0.5
147.08055	12.3
147.11720	1.4
155.07047	5.2
156.09293	0.5
157.10149	2.5
159.08095	1.6
159.11644	0.7
160.08879	3.8
161.09625	100.0
162.09975	1.4
171.09254	0.5
171.11676	0.7
173.08089	2.9
173.09644	1.3
173.13283	0.7
174.10381	0.9
175.11194	29.8
189.12706	0.5
199.14822	0.8
217.10695	1.9
217.12505	0.9
217.15889	31.4
218.16191	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1589
Annotation	Mutisianthol
Peak:m/z	Relative Intensity
53.03946	0.3
55.05512	1.7
57.07071	2.4
67.05501	1.0
69.03443	0.4
69.07069	0.6
69.61958	1.5
71.08639	2.7
79.05499	0.6
79.87532	0.2
81.07060	0.6
83.04979	1.8
83.08598	0.4
85.06517	0.2
88.37255	0.2
89.06035	0.3
91.05482	1.6
93.07034	0.9
95.08610	0.6
96.64882	0.2
98.21507	0.4
101.06004	0.3
103.02420	0.2
105.07037	8.6
107.04953	0.5
107.08586	1.5
109.06531	0.5
109.10186	0.7
111.04446	2.4
115.05465	0.4
117.07014	0.7
119.08598	2.7
121.05659	0.5
121.06505	6.2
121.07379	0.3
121.10123	0.3
127.07549	0.4
128.06223	1.0
129.07010	0.8
131.04898	0.4
131.08574	1.3
132.05745	0.4
133.06494	1.9
133.10135	6.7
135.08064	3.5
141.06955	0.3
142.07779	1.2
143.08566	1.6
145.06458	0.9
145.10135	1.0
146.07269	7.3
147.06946	0.5
147.08057	7.5
147.09239	0.4
147.11691	0.8
149.09639	0.5
155.07048	2.6
156.09341	0.4
157.08820	0.3
157.10048	1.2
159.08026	2.1
159.11690	0.7
160.08847	2.8
161.09622	100.0
162.09958	1.5
173.08098	1.7
173.09624	1.6
173.65601	0.3
174.10420	1.6
175.07607	0.7
175.11194	19.9
185.10791	0.4
188.11996	0.6
189.12817	0.7
199.09625	0.5
199.14812	0.6
217.08783	0.4
217.10698	1.1
217.12392	0.8
217.15883	33.2
218.16216	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1589
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
50.40670	1.1
53.03933	2.0
55.01851	1.7
55.05513	31.8
56.11963	1.3
57.07074	2.1
59.04989	3.1
67.05505	8.2
69.03441	8.4
69.07063	6.7
69.70010	1.0
70.06569	1.2
70.99600	3.3
71.04981	3.4
71.08621	3.1
73.60826	1.0
79.05495	5.6
81.07066	10.8
83.04494	2.2
83.04981	43.2
83.08617	5.3
85.06528	4.2
86.09689	3.8
87.04465	4.0
89.02375	4.4
89.06043	6.1
91.05476	15.4
93.07039	11.4
95.04961	2.5
95.08611	7.6
99.04437	2.2
101.06021	14.5
105.07034	54.5
107.08585	11.8
109.06503	3.6
109.10184	6.1
111.04447	57.5
111.08083	2.4
113.06002	6.2
115.05459	3.0
116.03462	2.2
117.07011	6.1
119.04949	11.1
119.08586	24.7
121.06516	22.5
121.10152	3.7
123.08064	2.2
125.09608	1.7
125.50959	1.1
127.07561	6.4
128.06223	6.0
129.05513	9.0
129.07040	7.0
130.07787	1.4
131.08588	10.5
133.06502	3.0
133.10144	18.0
135.08057	17.4
137.05963	3.1
142.07739	5.9
143.08577	17.3
144.09349	3.4
145.06462	1.5
145.10126	22.3
146.07262	8.3
147.04390	2.2
147.08064	12.0
147.11687	6.9
149.09586	1.7
155.07040	62.0
156.07320	1.4
156.09302	3.6
157.10130	25.4
159.08072	3.3
159.11705	25.7
160.08821	2.3
161.09624	100.0
161.13268	14.3
162.09904	1.3
165.05487	3.2
171.11705	7.7
172.09700	3.9
173.08116	40.4
173.09499	2.2
173.13264	3.6
175.07596	3.1
175.11183	22.8
175.14803	4.0
184.12447	1.5
187.07523	3.9
189.09119	1.4
189.12735	4.7
189.16425	5.5
199.07547	2.0
199.09613	3.5
199.11290	1.3
199.14842	22.1
217.04988	2.4
217.08585	6.1
217.10698	27.8
217.12367	4.7
217.15871	71.9
232.89003	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1589
Annotation	Mutisianthol
Peak:m/z	Relative Intensity
55.01871	0.5
55.05510	1.8
56.89977	0.4
57.07080	4.9
60.73050	0.4
67.05499	1.8
69.07059	0.7
69.76786	1.3
69.77200	0.9
71.08636	6.2
79.05485	0.6
81.07059	1.1
83.04983	1.3
91.05482	2.0
92.95747	0.4
93.07052	1.2
95.08594	0.7
98.20762	0.7
100.56499	0.4
101.06054	0.7
105.07035	10.0
107.04944	0.4
107.08598	1.3
109.10185	0.8
111.04441	1.3
117.07035	0.9
119.08591	2.2
121.06519	10.6
128.06226	1.4
129.07014	0.8
131.08585	0.9
132.05655	0.9
133.06537	2.1
133.10156	7.1
135.08069	10.4
141.07022	0.5
142.07765	0.9
143.08568	1.6
145.06497	1.2
146.07262	6.2
147.08063	12.3
147.11691	1.6
151.02408	0.4
155.07047	2.5
157.10159	2.1
159.08076	1.8
160.08820	3.1
161.09631	100.0
162.09993	1.1
169.03471	1.0
171.11694	0.8
173.08102	1.5
173.09650	1.6
174.10435	0.5
175.11208	29.4
185.10823	0.5
189.12801	0.7
199.14746	0.5
217.08755	0.5
217.10727	1.1
217.15897	29.3
218.16248	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.159
Annotation	(S)-2,2,3-Trimethyl-3-(4-methylphenyl)cyclopentanone
Peak:m/z	Relative Intensity
53.03941	3.3
53.84275	1.1
55.01863	4.1
55.05515	33.6
57.03426	1.8
57.07068	5.0
59.04993	2.8
63.27119	1.1
65.03937	2.5
67.05507	17.5
69.03423	4.6
69.07076	8.9
70.50660	1.5
70.51009	2.5
71.04984	3.8
77.08034	1.2
79.05498	16.0
79.75824	1.2
81.07059	19.5
83.04990	41.2
83.08620	5.0
85.06534	3.5
87.04468	4.9
89.02423	5.4
89.06052	7.1
91.05485	25.7
93.03421	1.3
93.07050	26.5
95.04978	21.0
95.08607	21.7
97.06532	4.3
98.20820	1.3
99.04475	3.6
101.06023	16.3
105.04532	1.2
105.07039	49.4
107.04957	3.1
107.07896	1.5
107.08604	21.7
109.06548	10.0
109.10169	10.5
111.04449	67.3
111.08084	2.8
113.06040	6.7
115.05485	9.8
117.07028	12.2
118.04158	2.2
119.04976	3.0
119.08590	29.6
121.06536	8.3
121.10150	36.5
123.08096	7.9
123.11779	2.2
127.07576	8.6
128.06226	13.2
129.05544	8.3
129.07014	13.0
130.07831	1.9
131.04936	3.0
131.08578	19.8
133.06508	3.5
133.10147	22.2
135.08133	5.9
135.11707	5.8
137.05997	2.3
141.07051	2.8
142.07796	9.9
143.08571	29.5
144.05551	1.3
144.09337	3.4
145.06490	3.9
145.10133	18.0
146.03548	1.8
146.07236	3.0
147.08066	13.7
147.11687	13.8
149.09618	3.3
152.06212	1.5
153.06985	3.1
155.07050	73.6
155.08429	3.3
156.09364	8.1
157.06514	3.9
157.10144	32.9
158.07277	1.5
158.10956	2.0
159.08102	2.6
159.11713	22.1
161.05998	6.0
161.09642	26.2
161.13260	7.0
169.06453	1.4
169.10095	1.7
170.10916	1.5
171.08037	10.2
171.11696	17.4
173.05986	4.1
173.08125	35.6
173.09477	1.8
173.13257	11.5
174.03142	19.2
174.06741	1.8
174.18544	5.7
175.07568	4.8
175.11243	11.2
175.14868	6.6
184.12544	2.7
187.14870	2.4
188.08443	1.4
189.05493	1.8
189.09160	8.6
189.12799	4.5
189.16362	11.5
199.07597	3.7
199.09680	3.7
199.11366	2.7
199.14835	36.4
199.16600	2.1
202.02623	85.3
203.02945	1.9
217.04993	100.0
217.08601	16.7
217.10712	28.2
217.12372	13.0
217.15889	90.4
217.19446	6.7
217.21303	1.4
218.05272	1.9
218.16219	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1225
Annotation	8-Norlactaranelactone
Peak:m/z	Relative Intensity
53.03926	4.0
55.01852	4.0
55.05516	40.9
57.03428	1.6
57.07057	1.5
59.04974	4.4
65.03936	3.5
67.05514	15.1
69.03439	7.6
69.07076	7.2
69.76557	6.7
73.02914	2.2
73.58076	1.2
79.05499	14.7
81.03391	1.7
81.07066	15.5
83.04985	60.1
83.08591	3.9
85.06519	3.2
87.04471	6.3
89.02360	4.8
89.06029	7.3
91.05002	2.4
91.05487	30.4
93.03377	2.8
93.06570	1.4
93.07048	15.5
95.04970	7.0
95.08601	9.9
97.06541	1.6
99.04414	3.7
101.06020	21.0
103.05449	2.1
105.07038	41.0
107.04942	3.6
107.08630	12.0
109.06477	5.0
109.10120	2.8
111.04453	73.6
111.08077	2.7
111.44614	1.4
113.06004	8.9
115.05447	7.1
116.06203	2.6
117.07021	24.7
119.04935	1.7
119.08586	41.3
121.06523	9.2
121.10162	6.4
123.04395	1.8
123.07989	1.6
127.07536	9.2
128.06226	24.8
129.05525	14.4
129.07005	39.5
130.07732	6.1
131.07605	2.4
131.08572	34.6
132.09290	2.1
133.06476	6.3
133.10144	16.1
135.08038	3.6
137.05923	4.3
141.06998	13.0
142.07787	16.7
143.08574	52.1
144.09273	3.8
145.06425	5.0
145.10130	72.2
146.07198	3.9
147.08064	11.3
147.11690	11.7
149.05936	2.3
155.07048	88.9
155.08432	6.7
156.07353	2.2
156.09360	43.5
157.06485	3.2
157.10130	20.2
158.07281	1.7
158.10869	3.2
159.08032	6.1
159.11697	16.1
160.08836	3.2
161.06021	9.8
161.09631	50.2
161.13197	4.7
166.07709	3.0
169.10107	2.3
171.07983	4.9
171.11696	100.0
172.12086	3.6
173.08125	47.4
173.09570	4.8
173.13295	11.6
174.10358	2.9
175.07573	16.7
175.11215	12.0
175.14748	5.2
181.10080	4.4
184.08716	4.0
188.08298	2.5
189.09120	8.8
189.12706	8.3
189.16284	5.7
199.07614	1.7
199.09558	5.4
199.11139	21.1
199.14825	12.0
202.02573	2.0
202.10051	1.7
217.04913	6.3
217.08511	9.6
217.10564	31.7
217.12210	69.6
217.15799	44.6
217.19319	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	217.1224
Annotation	4,9-dimethyldodeca-2,4,6,8,10-pentaenedial
Peak:m/z	Relative Intensity
53.03941	4.3
55.01880	5.6
55.05267	1.6
55.05514	20.2
56.39480	1.0
59.04985	2.1
65.03941	3.0
67.05509	10.1
69.03423	7.4
69.07060	4.1
71.05005	1.7
77.03923	1.5
79.05502	30.2
79.05969	1.4
81.03426	1.7
81.07061	61.7
83.04985	24.5
83.08609	2.3
85.06547	2.1
87.04477	2.6
89.02377	2.3
89.06026	4.7
91.05489	19.6
93.07049	19.7
95.04978	9.4
95.08601	4.4
97.02917	1.6
97.06540	6.0
99.04451	2.0
101.06023	8.2
103.05457	2.7
105.04514	1.4
105.07040	27.4
106.78918	0.9
107.04944	7.1
107.08606	9.4
109.06526	42.5
109.10149	2.2
111.04449	35.1
111.08065	1.2
113.06000	2.9
115.05473	3.1
117.07009	5.0
119.04925	2.6
119.08608	15.3
119.98398	1.2
121.06513	100.0
121.10119	2.3
123.08088	5.1
127.07556	21.2
128.06221	10.0
129.05478	4.1
129.07013	15.0
130.07797	1.4
131.08583	10.8
133.06487	4.9
133.10141	11.8
135.04439	7.9
135.08034	8.3
135.15997	1.0
137.06000	5.1
141.06973	4.2
142.07787	10.3
143.08595	19.1
144.09340	1.1
145.06531	2.4
145.10135	13.1
146.07245	2.9
147.08069	9.6
147.11694	12.3
153.06992	1.1
155.07057	36.7
155.08487	3.4
156.05676	3.9
156.08229	1.2
156.09372	9.0
157.06499	4.0
157.10152	28.2
158.07295	1.8
159.08107	4.7
159.11723	9.7
160.08818	1.9
161.06041	5.2
161.09645	16.4
161.13290	4.0
165.07016	2.6
166.07813	5.9
169.10130	1.3
171.08131	4.6
171.11694	25.5
172.05219	2.1
173.08105	22.1
173.09639	6.8
173.13275	2.3
174.06812	2.0
175.07565	10.3
175.11201	18.5
175.14771	1.3
181.10143	7.9
184.08943	4.7
187.07625	2.7
189.09196	5.5
189.12775	12.7
189.16342	1.8
199.07524	4.4
199.09821	1.6
199.11212	34.4
199.14827	8.0
202.06261	1.7
202.09851	1.3
217.05174	2.0
217.08617	9.0
217.10655	10.9
217.12271	60.0
217.15724	19.5
217.19305	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1225
Annotation	4,9-dimethyldodeca-2,4,6,8,10-pentaenedial
Peak:m/z	Relative Intensity
51.14711	1.3
53.03948	3.8
55.00374	1.3
55.01866	5.9
55.05268	2.0
55.05513	24.7
55.39299	1.5
56.46384	1.2
57.03423	1.7
65.03947	2.0
67.01865	2.8
67.05509	11.0
69.03430	10.2
69.07060	3.8
69.29082	12.3
69.29414	2.3
71.04990	2.2
73.02919	1.6
77.03957	1.7
79.05492	18.6
81.03417	1.4
81.07059	21.4
83.04985	32.9
83.08609	2.5
85.02884	1.7
85.06555	3.6
87.04477	2.8
89.02385	2.4
89.06035	5.1
91.05489	33.4
92.21079	1.2
93.07049	17.7
95.04971	6.6
95.08611	8.1
97.02990	1.3
97.06523	2.8
99.04448	2.9
101.06023	9.6
103.05441	4.1
104.00092	1.3
105.03375	1.6
105.07041	48.0
107.04947	4.6
107.08601	11.7
109.06524	9.3
109.10094	1.8
111.04450	47.1
113.06019	3.2
115.05452	11.5
116.06190	2.1
117.07032	19.9
119.04940	4.1
119.08588	27.9
121.06509	15.1
121.10119	3.1
123.04427	3.3
123.08080	2.9
127.07582	7.6
128.06232	28.5
129.05458	5.5
129.07018	41.5
130.07840	7.7
131.07590	2.9
131.08577	33.4
132.09329	1.9
133.06494	8.1
133.10126	16.0
135.04416	1.3
135.08080	7.0
135.11707	1.6
137.05994	4.3
141.06976	12.9
142.07793	18.0
143.08569	53.8
144.09346	4.0
145.06482	7.9
145.09059	2.4
145.10139	31.1
146.07253	3.4
147.08054	15.1
147.11713	11.6
149.06036	2.3
149.09560	1.3
152.06088	1.5
153.06984	3.5
154.07819	2.6
155.07065	48.8
155.08511	6.7
156.09348	24.0
157.06503	6.3
157.10133	36.8
158.07277	3.7
159.08066	9.3
159.11703	7.4
160.08838	4.3
161.05981	6.6
161.09633	24.5
161.13234	8.1
165.07001	3.7
166.07777	4.0
169.06477	1.8
169.10139	3.1
170.07364	1.5
171.08083	15.6
171.11696	62.9
172.12204	1.8
173.08098	27.5
173.09622	9.7
173.13275	5.8
174.06906	1.3
174.10429	2.1
175.02834	2.0
175.07574	12.3
175.11188	21.1
181.10085	8.0
184.08836	4.3
187.11182	3.4
188.08287	1.8
189.09195	6.2
189.12741	26.5
189.16386	2.5
199.07535	4.8
199.09673	1.9
199.11220	29.9
199.14755	6.4
206.36879	1.4
217.05051	3.4
217.08626	8.8
217.10684	14.3
217.12268	100.0
217.15633	20.5
217.19469	4.8
218.21124	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	217.0861
Annotation	O-Desmethylnaproxen
Peak:m/z	Relative Intensity
51.02373	1.2
53.03942	4.5
55.01868	4.5
55.05506	6.6
59.04992	1.1
61.61652	1.0
65.03937	3.8
67.01886	5.3
67.05520	5.2
67.61892	1.3
68.99824	1.1
69.03421	5.5
70.03788	1.1
71.05000	1.1
73.02912	1.0
79.05499	9.7
81.03427	3.2
81.07065	2.1
83.04983	9.5
87.04470	1.1
89.02387	1.0
89.06055	1.7
91.05490	22.8
93.03393	3.1
93.07065	5.6
95.04980	8.0
95.08601	2.2
101.06022	2.4
103.05488	5.9
104.06246	1.1
105.03384	2.1
105.07036	24.7
106.07415	1.3
107.04964	7.8
107.08626	2.1
109.02897	2.2
109.06489	1.6
109.10224	1.1
111.04461	11.8
113.06011	1.0
115.05471	17.5
116.06235	1.4
117.07029	17.6
119.04930	1.1
119.08597	12.8
121.06509	8.6
123.04440	3.6
127.07547	1.8
128.06235	67.7
129.05585	1.7
129.07031	31.6
130.07851	6.7
131.04926	5.8
131.08571	9.5
132.05705	3.5
133.06512	7.3
133.10153	8.8
135.04436	1.9
135.08083	3.3
137.05945	1.5
141.07002	7.5
142.07826	7.0
143.04967	1.7
143.08574	57.9
144.05789	1.6
144.09276	1.1
145.06508	21.2
145.09203	1.9
145.10156	15.5
146.07301	5.5
147.08061	17.7
149.06033	2.7
152.06230	6.2
153.06999	24.4
154.07759	1.3
155.06017	7.0
155.07068	15.2
155.08556	5.3
156.08318	1.1
156.09409	6.7
157.06509	18.2
157.10152	11.2
158.07309	5.1
159.08061	2.6
159.11702	2.3
160.08882	1.5
161.06027	6.4
161.09654	24.3
169.06497	2.1
169.10156	1.8
171.08067	80.1
171.11746	17.2
172.08743	3.4
173.08157	8.0
173.09698	6.5
173.13310	1.2
174.06795	4.6
175.07579	10.6
175.11209	3.2
181.06436	2.4
185.05969	1.7
185.09709	1.4
188.08447	1.4
189.05479	2.0
189.09131	28.8
189.12930	1.3
199.07552	24.2
199.11215	4.7
202.06134	1.7
203.76584	1.2
217.05048	9.6
217.08649	100.0
217.10513	4.7
217.12363	20.3
217.15945	4.8
218.09003	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1232
Annotation	Fuscoatramide
Peak:m/z	Relative Intensity
50.10094	0.6
55.01878	6.5
55.05513	4.6
56.05017	1.2
56.13826	0.6
60.04498	1.9
62.06096	3.5
64.27989	0.7
64.44872	0.5
67.05493	2.2
69.03418	0.8
69.07065	0.8
69.28980	1.5
69.29388	4.9
70.02952	4.2
70.06599	3.5
72.08160	3.8
73.02922	7.8
79.05471	3.0
81.07059	10.9
83.04974	4.4
83.08600	0.8
84.08107	1.4
85.02900	0.9
85.06560	0.7
86.06073	54.2
88.04012	0.7
91.05499	3.6
93.07021	2.8
95.04939	0.8
95.08583	2.1
96.08129	6.7
98.06059	1.2
98.09701	7.0
99.04438	1.5
100.07601	1.4
101.01736	0.9
101.02385	17.8
101.06004	1.3
103.05448	0.7
104.97702	0.6
105.07006	1.3
107.08577	1.4
108.08125	4.1
109.06524	16.6
109.10124	0.6
109.40942	0.6
110.06049	1.3
110.09703	1.3
111.04448	7.6
111.07376	1.0
111.08090	13.4
113.06057	0.7
114.09170	1.8
116.10738	40.0
117.07024	1.1
119.08590	0.9
120.49537	0.6
121.06527	0.8
121.08889	2.1
122.09649	1.3
124.07628	1.5
124.11241	1.9
126.09131	1.6
127.07575	0.9
128.06221	1.7
129.05446	1.1
129.06978	2.0
131.04819	0.8
131.08557	0.9
133.10126	1.1
134.09663	4.2
135.08031	0.7
135.10423	1.2
136.07579	0.7
137.05963	8.2
138.09137	1.5
142.07559	0.9
142.08633	6.7
142.12247	1.6
143.08546	1.5
145.04912	2.3
152.10715	4.9
155.05948	0.7
155.07043	7.8
157.10124	0.9
159.07997	0.7
162.09216	0.8
165.05463	1.0
165.07782	0.7
168.10228	1.0
170.06833	1.4
170.10367	0.8
170.11783	15.4
171.08009	1.3
171.11829	0.8
172.05130	0.8
173.08115	4.1
174.10078	0.9
180.10188	4.7
187.07486	1.3
198.11270	100.0
199.07484	1.5
199.11581	2.5
216.12334	59.0
217.08603	2.9
217.10715	2.8
217.12576	1.5
217.15897	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1233
Annotation	2-Amino-9,10-epoxy-8-oxodecanoic acid
Peak:m/z	Relative Intensity
54.66751	0.8
55.01874	5.3
55.05516	6.2
56.05033	1.5
58.49978	0.7
59.04970	1.2
65.45622	0.7
67.05498	0.9
69.03409	0.8
69.07055	3.1
69.78912	3.9
70.06571	1.7
71.04996	0.9
71.08239	1.1
71.08636	21.5
71.53080	0.7
72.04524	17.8
82.02946	16.9
83.04981	7.0
84.04502	3.1
85.02961	0.8
87.04446	0.9
88.11272	13.4
89.02379	0.7
89.06005	1.4
99.04409	0.8
100.03986	69.1
101.02380	3.3
101.06042	4.4
111.04448	14.5
112.07529	0.8
113.06004	1.3
114.05557	1.3
126.09167	1.6
126.24317	0.7
127.07532	1.1
128.03448	60.5
129.05466	1.8
130.05002	0.8
132.95808	1.1
138.05516	0.8
142.04994	1.4
142.12271	1.8
146.04474	7.3
150.96945	0.8
155.07040	15.2
157.10211	0.8
170.11780	51.1
171.11969	0.9
173.08131	7.8
184.08754	0.7
189.09169	0.9
198.11266	5.1
202.02762	0.7
216.12331	100.0
217.05005	1.3
217.08640	1.3
217.10690	5.6
217.12526	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	216.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
54.32435	0.6
55.01815	6.3
55.05456	6.6
55.05759	1.1
60.04477	1.1
62.06031	4.2
62.52165	0.6
67.05477	1.3
67.42595	0.6
69.03397	1.4
69.07003	1.0
70.02957	3.1
70.06591	2.9
71.07331	0.7
71.49639	0.8
72.08159	4.1
73.02921	10.2
79.05491	2.9
81.07064	9.5
82.06556	1.4
83.04983	7.1
83.08570	1.2
84.04472	0.6
84.08087	2.1
85.02869	0.7
85.06529	0.7
86.06073	57.3
86.06556	1.9
86.06828	1.9
88.03915	0.9
89.02344	0.7
91.05493	4.3
93.07043	2.8
94.06557	0.6
95.07290	0.7
95.08556	1.7
96.08140	6.0
97.06473	0.7
98.09713	5.5
99.04430	1.4
100.07584	1.3
101.02386	18.3
101.05961	2.4
105.06988	1.2
107.04823	0.7
107.08549	1.7
108.08118	3.8
109.06521	18.0
110.06044	1.2
110.09641	1.4
111.04449	9.3
111.07400	0.8
111.08083	12.2
113.05963	1.5
114.09140	1.7
115.05427	0.7
116.10743	37.9
117.06998	1.3
119.08550	1.0
120.08094	1.4
121.06458	1.4
121.08831	1.8
122.09599	1.0
124.07527	2.0
124.11184	2.4
126.09102	2.0
127.07510	1.4
128.06221	1.5
129.05453	1.5
129.06943	1.2
131.04881	1.0
131.08578	0.6
133.10159	0.8
134.09647	5.3
135.08044	0.7
135.10385	0.8
136.07538	1.1
137.05977	7.8
138.09119	1.4
142.07545	1.2
142.08595	6.0
142.12221	1.7
143.08484	1.3
145.04904	1.9
145.10149	0.7
147.07967	0.7
148.07576	0.6
152.10718	5.7
152.34247	0.7
153.80267	0.6
155.07040	14.7
157.10117	1.1
159.11679	1.1
160.08429	1.2
161.05997	0.6
161.09560	1.2
165.07872	1.1
168.10092	0.8
170.06888	1.3
170.10484	0.7
170.11781	15.2
171.08054	1.3
173.08105	7.1
174.06610	0.7
174.09979	0.9
175.07588	0.9
180.10219	4.1
185.05984	0.8
187.07455	1.0
188.07942	0.8
198.11269	100.0
199.07544	1.3
199.09602	1.4
199.11516	1.6
201.05026	2.1
202.02599	0.9
216.07480	2.0
216.12341	58.5
217.05054	1.4
217.08627	1.8
217.10703	4.8
217.12498	2.3
217.15889	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1233
Annotation	Fuscoatramide
Peak:m/z	Relative Intensity
53.03927	1.0
55.01881	5.3
55.05507	6.0
58.06614	1.0
60.04504	1.2
62.06096	4.4
63.49520	0.7
67.05476	1.7
69.07070	1.2
69.46575	3.6
69.46999	2.2
70.02908	2.7
70.06554	2.6
72.08122	2.9
73.02927	7.3
79.05465	2.6
81.03413	0.8
81.07065	10.0
83.04986	5.2
83.08567	1.4
84.04526	0.8
84.08141	1.3
85.06548	0.8
86.06073	48.2
87.04437	0.8
89.06001	1.0
91.05450	2.5
93.07022	2.7
95.08568	1.8
96.08141	7.8
97.06520	0.8
98.09719	5.7
98.20805	1.4
99.04448	1.4
101.02391	15.9
101.05975	2.6
105.07022	1.9
107.08580	1.9
108.08128	5.0
109.05820	0.9
109.06522	15.3
110.06038	0.7
111.04451	8.0
111.08093	11.4
113.05996	1.2
114.09176	1.0
116.10741	31.7
118.75425	0.8
120.08051	1.0
121.06480	1.5
121.08840	0.9
122.09613	1.3
124.07584	2.1
124.11183	2.2
126.09154	1.6
128.06213	0.9
129.05447	0.9
133.10112	1.0
134.09648	5.7
135.10393	1.0
137.05998	6.3
138.09117	1.8
142.07478	1.2
142.08615	6.2
142.12242	1.2
143.08568	0.9
145.04916	1.2
152.10690	4.6
155.05956	1.0
155.07051	10.2
157.10033	1.3
162.09082	0.9
170.06776	1.3
170.11777	15.1
171.11821	1.3
173.08069	4.5
173.13161	1.1
175.11177	1.5
180.10216	3.9
187.07507	2.0
188.07979	1.3
198.11266	100.0
199.07712	1.0
199.11497	1.2
201.05038	1.5
216.12337	57.4
217.04927	0.8
217.08800	1.2
217.10732	4.0
217.12537	1.6
217.15927	2.4
233.90897	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1433
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
53.03939	0.9
54.52536	0.6
55.01873	0.8
55.05503	1.9
57.03437	0.7
57.07075	1.2
67.05495	2.4
69.03413	1.8
69.07065	1.5
70.66335	2.1
71.04996	1.8
72.93784	0.8
74.09711	1.8
79.05479	3.0
81.07055	4.4
90.94771	0.9
91.05491	8.2
93.07045	4.9
95.04984	3.5
95.08588	2.1
98.98475	0.8
103.05470	1.0
105.07036	9.7
107.08577	3.0
109.06523	2.0
115.05477	2.7
116.06244	1.0
117.07047	4.6
119.05003	0.9
119.08601	8.7
121.06513	3.8
121.71220	0.8
128.06207	3.8
129.07018	8.6
130.07776	2.0
131.08578	19.5
132.95879	3.6
133.06488	0.7
133.10136	3.6
135.08031	2.8
136.08865	0.9
141.07016	6.6
142.07791	12.6
143.08574	13.6
144.05708	3.0
144.09335	2.8
145.06537	4.8
145.10141	21.5
146.02888	0.8
147.08075	0.7
149.96121	0.9
150.96919	3.9
153.06978	1.8
154.07811	3.7
155.05894	0.8
155.08578	8.7
156.09360	9.7
157.06516	1.7
157.10139	39.0
158.07301	5.2
158.10933	11.6
159.04460	0.9
159.08072	24.9
159.11699	6.8
160.08788	2.4
161.09641	0.8
167.08592	9.5
168.09360	1.3
169.07823	1.1
169.10141	14.1
171.08090	2.1
171.11719	9.5
172.08908	4.0
172.12485	9.1
173.02301	3.2
173.09642	27.3
173.13281	29.1
174.10185	1.0
181.10127	1.6
181.72824	0.7
182.10934	17.5
185.09621	5.8
186.10419	2.6
187.07602	1.5
187.11203	9.5
187.14818	8.5
191.97142	1.6
197.09651	2.0
197.13275	29.8
199.11206	1.2
200.11925	6.5
215.07170	3.5
215.11061	13.0
215.14323	100.0
215.17938	4.0
216.12535	0.9
216.14687	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	216.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
56.05035	1.3
56.96565	12.9
57.03433	0.8
58.06604	21.2
58.99846	0.9
59.07382	1.5
67.05508	0.8
69.03435	1.1
69.07059	0.9
70.06593	2.0
70.43630	0.9
70.43964	0.8
70.98127	1.1
71.04996	1.0
71.95280	1.2
72.08144	1.9
72.93801	0.7
72.96043	3.7
73.02901	0.7
74.09721	65.2
79.05502	0.7
82.99865	1.2
83.04964	1.5
84.04525	0.7
84.08139	2.1
84.96023	1.2
85.01396	1.2
85.06516	0.6
86.09703	9.0
87.10033	0.7
97.02898	0.7
97.06536	2.4
97.96816	1.5
98.06062	1.6
98.21191	0.9
98.97588	90.9
100.02506	0.5
100.07618	7.3
101.00893	8.3
102.00973	1.8
102.05533	3.3
103.00639	4.0
103.02469	1.9
110.97565	1.7
111.04440	2.1
112.99165	3.5
113.00899	0.9
115.02415	0.8
116.02455	0.5
116.98624	29.2
119.01935	14.7
119.02688	0.7
120.02034	2.7
121.01682	6.6
121.03519	0.7
126.09159	8.8
127.02337	0.8
128.98599	1.7
129.10257	0.7
131.00194	1.9
131.01912	2.4
132.01978	1.0
132.95752	0.7
133.01579	1.0
133.03474	3.2
134.03625	1.4
134.99651	5.4
137.02979	2.4
139.02739	1.3
140.00140	0.7
142.01759	5.2
143.01920	1.2
144.05034	0.8
145.01691	0.7
145.03473	10.6
146.99571	1.0
147.01373	1.4
155.07053	2.0
156.98128	0.6
157.03474	1.7
157.27116	0.7
160.02840	4.0
161.03003	2.0
162.03166	1.2
163.04533	2.5
171.01398	1.2
171.05057	0.7
172.09717	4.8
172.99998	1.9
173.02910	0.8
173.08109	0.8
174.04393	8.2
174.05946	0.7
174.99159	2.8
175.00899	1.6
175.02690	0.9
175.04448	1.6
178.03958	0.8
188.09494	5.4
189.02451	2.8
192.05504	3.4
193.00200	3.0
193.01842	1.2
198.11253	1.7
206.10599	1.9
216.05455	100.0
216.08952	3.6
216.12332	2.5
217.01935	1.4
217.05635	2.3
217.07510	0.8
234.06522	38.7
234.09953	5.4
237.94827	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1069
Annotation	1,1-Bis(4-hydroxyphenyl)ethane
Peak:m/z	Relative Intensity
53.03934	3.4
55.01876	2.8
55.05499	2.8
59.91674	1.2
67.05499	4.8
69.03419	3.3
70.02216	3.8
79.05492	10.5
81.03417	1.3
81.07055	4.5
91.05494	21.3
91.30717	1.2
93.07054	6.4
95.04971	7.5
95.08610	2.0
103.05473	3.7
105.07050	19.1
107.04953	3.9
107.08597	2.9
109.06522	1.7
115.05463	13.4
116.06249	3.9
117.07031	18.8
119.04961	2.4
119.08588	5.9
121.06514	4.7
123.04432	1.7
128.06235	24.7
129.07019	29.6
130.07828	7.7
131.04936	3.9
131.08580	18.5
132.05743	1.1
132.95851	1.4
133.06467	4.1
133.10114	1.9
135.04405	3.7
141.07007	31.4
142.07776	4.8
143.07494	2.5
143.08562	29.3
144.05725	2.4
144.09366	6.4
145.06511	12.8
145.10132	18.5
151.33025	1.2
152.06203	2.1
153.06982	12.7
154.07785	44.7
155.06027	2.0
155.08553	14.6
156.09383	7.1
157.06500	5.4
157.10168	5.7
158.07297	6.4
159.04416	3.2
159.08057	16.6
159.11699	14.7
166.26239	1.3
167.08595	6.9
169.06448	3.7
169.10141	83.5
170.10722	1.5
171.08060	8.2
171.11681	6.9
172.08842	10.0
173.06073	5.5
173.09642	20.6
173.13246	3.3
174.06647	2.1
178.07799	1.4
179.08685	6.5
179.35744	1.1
182.07295	6.0
185.09634	2.8
186.10330	1.7
187.07622	10.8
187.11198	39.0
187.14801	3.4
197.09634	24.6
197.13309	2.8
200.08334	3.0
215.07085	8.1
215.10695	100.0
215.13991	12.3
215.17990	4.9
216.11064	1.4
236.06943	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1068
Annotation	1,1-Bis(4-hydroxyphenyl)ethane
Peak:m/z	Relative Intensity
53.03936	2.5
53.04355	1.2
54.72858	1.2
55.01868	3.0
55.05505	2.0
61.76631	1.2
67.05508	3.0
69.03413	4.1
69.66261	7.9
78.00487	1.2
79.05499	7.9
81.03416	3.4
81.07056	2.3
91.05486	19.2
93.07044	3.9
95.04983	7.1
97.02904	1.1
98.20787	2.5
103.05462	4.9
105.07037	17.3
107.04958	5.1
115.05461	12.8
116.06255	2.5
117.07034	15.8
119.04949	2.4
119.08588	4.1
121.06494	4.3
123.02078	1.4
123.04416	1.3
125.17275	1.2
127.05414	1.8
128.06218	26.9
129.07019	28.1
130.07814	7.1
131.04947	2.4
131.08572	18.6
133.06500	2.8
133.10150	1.3
135.04431	2.8
141.06992	26.4
142.07761	5.1
143.08554	32.2
144.05763	2.4
144.09358	7.4
145.06477	14.3
145.10121	15.6
146.07309	2.4
147.08162	2.3
153.06999	12.6
154.07779	35.4
155.06039	2.8
155.08586	13.0
156.09343	5.3
157.06497	7.0
157.10143	2.2
158.07309	6.6
159.04440	1.8
159.08049	12.7
159.11688	11.1
164.68906	1.4
167.08560	3.6
169.06505	4.4
169.10133	65.2
170.10529	1.4
171.08107	9.9
171.11690	5.1
172.08849	10.5
173.05971	4.2
173.09624	19.4
174.06691	3.2
179.08620	9.2
181.06549	3.7
182.07281	5.6
185.09645	4.4
187.07542	8.8
187.11194	34.4
197.09622	26.3
200.08319	3.9
209.15663	1.2
215.07127	6.1
215.10684	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1067
Annotation	1,1-Bis(4-hydroxyphenyl)ethane
Peak:m/z	Relative Intensity
53.03940	2.2
53.16003	1.0
55.01866	3.2
55.05505	2.1
57.71720	0.8
65.03938	1.7
67.05494	4.4
67.31268	1.2
69.03414	2.5
69.95192	1.9
69.95582	2.3
71.04974	1.7
71.54195	1.0
75.44036	1.0
79.05505	6.1
81.03429	1.2
81.07061	2.4
91.05479	14.2
93.07032	4.5
95.04984	5.9
99.04453	6.6
103.05461	4.9
103.12746	1.3
105.07030	17.9
107.04933	4.6
109.06510	1.1
115.05473	11.8
116.33662	0.9
117.07015	14.9
119.04958	3.6
119.08573	4.4
121.06495	1.8
123.04401	3.1
128.06221	22.1
129.07010	27.7
130.07785	5.3
131.04927	4.4
131.08572	18.7
133.06493	3.5
135.04411	1.9
141.06989	28.7
142.07779	4.5
143.07520	1.6
143.08577	21.2
143.09679	1.1
144.05676	1.0
144.09352	5.7
145.06493	15.2
145.10144	13.2
146.07224	2.1
147.04433	6.4
147.08043	2.1
152.06203	1.9
153.06960	10.6
154.07773	36.4
155.06029	2.5
155.08551	14.3
156.09331	7.3
157.06534	6.9
157.10129	4.9
158.07272	8.1
159.04410	4.0
159.08035	11.7
159.11703	14.2
161.05943	1.1
161.09604	2.1
165.06960	1.2
167.08572	2.6
169.06471	4.6
169.10126	74.0
170.10536	2.7
171.08040	9.7
171.11647	3.5
172.08839	7.8
173.05984	8.7
173.09641	16.2
178.07726	1.2
179.08588	5.9
182.07295	4.1
185.05988	2.0
185.09630	1.2
187.07587	6.2
187.11194	26.5
197.09602	18.1
199.07590	1.2
200.08337	2.7
215.07114	3.5
215.10678	100.0
216.11096	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01865	3.9
55.05512	63.0
56.05012	1.8
56.05841	4.2
57.03439	2.6
57.07068	3.3
65.03947	1.9
67.05505	37.4
69.03426	4.1
69.07072	47.5
70.06589	4.3
70.83591	3.1
70.83920	2.8
71.04989	6.8
72.08106	1.7
73.06531	2.7
79.05500	19.0
80.29060	1.6
81.07058	87.3
83.04978	6.2
83.08148	3.3
83.08622	47.6
83.29990	1.7
84.08135	2.1
85.02916	2.3
85.06541	5.0
85.41301	1.7
87.04453	2.1
91.05487	19.5
92.08289	3.4
93.07048	22.4
95.08610	100.0
96.08978	1.6
97.06547	11.2
97.10191	15.0
99.08070	3.6
100.11272	19.0
101.06014	1.9
101.11582	5.1
105.07026	26.5
106.07376	1.7
107.08601	11.0
109.06519	4.6
109.10149	9.5
111.08064	5.3
112.07518	2.0
115.05465	2.3
115.07550	3.5
117.07022	3.5
117.13897	1.8
119.07801	2.9
119.08585	30.5
121.10160	8.7
122.06029	3.8
123.08079	10.4
126.09189	2.7
127.07593	3.6
128.06253	4.5
129.06995	7.4
131.08577	4.0
133.10130	20.3
135.11697	17.4
137.09618	5.6
137.13272	19.3
140.10759	1.9
141.06995	10.1
141.09164	1.9
141.11481	6.1
141.61658	13.0
142.07538	3.3
143.08640	12.8
144.05710	2.7
144.08899	14.0
145.06494	3.5
153.07021	4.1
154.07655	10.2
154.08813	3.4
154.12350	3.6
155.08603	3.5
155.12570	3.2
155.61430	2.3
156.09091	4.2
156.13004	1.7
157.06573	2.2
157.09998	5.7
158.10486	16.5
159.04436	3.0
159.08037	5.0
159.11691	3.2
161.02354	4.7
161.13269	43.0
166.07332	4.9
168.10164	4.2
169.06445	2.3
169.10118	22.9
171.08119	2.0
171.11505	4.0
172.08421	4.9
172.12029	3.4
173.02357	7.7
173.09364	3.6
179.14310	10.1
181.09612	4.3
182.15421	6.0
183.15746	5.7
184.00781	1.9
184.08383	6.7
185.13289	3.1
186.13582	18.0
187.07578	4.6
187.11226	4.5
196.12003	7.6
196.16933	14.5
197.05887	2.2
197.09639	5.2
199.10780	15.6
199.18063	6.1
200.18430	6.3
213.67967	11.3
214.11047	2.1
214.13048	52.3
214.18037	59.7
215.07089	12.3
215.10657	16.8
215.14262	4.0
222.38554	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1076
Annotation	Kainic acid
Peak:m/z	Relative Intensity
53.03946	2.5
55.05496	1.2
55.27254	0.7
56.96561	1.5
58.06640	0.8
59.63123	0.6
65.03938	1.1
67.05517	6.2
68.05045	1.8
69.03434	3.6
69.07072	5.1
69.55172	5.2
70.06590	1.4
70.95869	1.4
72.93781	4.8
79.05504	3.8
80.05012	2.2
81.03419	0.8
81.07062	4.3
82.06584	2.3
84.04487	1.0
84.07683	0.7
84.08144	2.8
85.02915	1.3
85.06513	0.8
90.94835	4.4
91.05474	6.4
93.05772	2.1
93.07047	5.8
94.06571	25.6
95.04972	6.4
96.04417	0.7
97.06519	1.9
98.06064	0.9
98.97576	2.0
102.05535	1.1
106.06564	1.3
107.04987	1.6
107.08611	0.9
108.04543	1.4
108.05294	2.7
108.08123	15.0
108.08860	1.0
109.06541	5.1
110.06049	14.9
111.06827	0.9
111.08058	1.4
112.03973	1.3
112.07612	4.5
113.96420	1.6
116.98602	1.0
118.06547	2.1
119.04984	1.7
121.06496	1.0
122.06036	75.3
123.04446	5.1
123.06829	1.6
124.07594	3.2
126.09135	1.3
127.07568	1.2
132.95840	15.1
134.06021	1.1
136.07585	41.6
137.05989	2.9
138.09109	1.6
139.07550	2.0
140.07071	100.0
141.00055	1.4
141.07404	1.1
148.56856	0.7
149.96112	2.7
150.09186	1.1
150.96899	18.5
154.05016	0.7
154.08638	31.4
158.10432	0.8
158.99628	0.8
164.06998	6.4
165.05496	3.1
166.10609	0.8
167.97179	2.2
168.07472	5.1
168.10130	3.3
169.08665	4.4
177.31871	0.9
182.08142	21.7
191.97194	5.5
192.99677	0.8
196.09677	15.7
197.08081	2.1
197.09853	0.7
209.98250	1.8
214.05141	1.5
214.10762	53.0
215.06999	1.0
215.10901	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.05513	3.2
57.07062	0.5
58.54427	0.3
67.05507	3.9
68.38277	0.4
69.07079	5.3
71.12122	0.6
79.05498	6.5
81.07061	9.8
83.08610	1.9
88.07592	0.5
91.05486	13.3
93.07047	10.3
95.04970	0.5
95.08614	8.3
98.09658	0.4
103.05465	0.8
105.07036	18.4
107.08610	5.7
109.10170	2.3
115.05475	2.2
116.06236	0.8
117.07036	8.5
119.08597	15.3
121.10144	4.1
128.06241	6.9
129.07022	18.2
130.07780	1.2
131.08577	21.4
133.06555	0.5
133.10135	8.7
141.07004	2.9
142.07802	11.6
143.08572	34.9
144.09270	0.6
145.10132	11.8
147.11693	2.2
155.08583	3.2
156.09352	4.8
157.10141	44.7
158.10666	1.7
159.11687	3.0
165.06950	0.8
167.08585	1.4
169.10127	3.6
170.10953	3.6
171.11700	28.3
172.12386	1.0
179.08557	0.5
183.11685	2.3
184.12492	1.7
185.09782	2.6
185.13283	9.7
195.11720	1.2
198.06822	0.5
198.14055	2.3
211.14822	0.5
213.09213	3.9
213.12856	2.7
213.16397	100.0
214.16801	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	213.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33189	0.6
55.01852	1.1
55.05520	4.7
56.15104	0.6
56.96567	11.7
57.07085	4.0
57.07303	0.7
65.03945	0.8
67.05498	2.9
69.03433	3.4
69.07069	8.4
70.06590	0.7
70.90760	1.4
71.04997	0.8
71.80530	0.6
74.21146	0.6
75.16057	0.6
79.05489	4.7
81.07064	3.9
83.04928	0.7
83.08625	3.4
85.02878	0.9
88.07613	2.1
91.05486	10.2
93.07037	6.3
95.04963	1.5
95.08604	2.9
103.05410	1.3
105.07037	36.9
107.04945	1.8
107.08595	6.4
109.06478	1.0
109.10146	0.9
115.05456	2.9
117.07007	3.1
119.08585	33.7
121.06502	1.9
121.10145	5.7
127.04006	0.8
128.06223	12.1
129.07018	14.8
130.07880	0.7
131.04944	0.7
131.08565	11.8
133.10144	5.1
135.11664	1.1
139.07565	1.0
141.06993	9.5
142.06648	1.4
142.07785	27.4
143.08569	51.6
144.09105	0.8
145.06505	1.6
145.10138	6.8
148.04660	0.7
152.06204	3.2
153.06990	3.4
154.07753	2.8
155.08554	8.3
156.09366	15.2
157.06494	2.8
157.10139	65.9
158.10773	1.5
159.08009	1.1
159.11728	2.4
161.05354	0.7
165.07025	6.7
166.07813	1.4
167.07065	2.6
167.08620	7.4
168.09198	1.1
169.06393	1.6
169.10110	6.9
170.07231	3.8
170.10907	10.9
171.08113	6.4
171.11694	42.0
172.08856	3.1
172.12178	0.9
172.16989	1.2
180.07982	1.6
180.09355	3.8
183.08075	5.1
183.11716	5.3
184.08755	0.9
184.12471	2.3
185.09654	17.3
185.13261	18.1
189.08546	2.5
193.08769	4.2
195.06445	1.1
195.08046	2.7
195.11725	7.4
198.06860	3.2
198.10416	7.5
198.14053	5.0
199.14832	0.9
202.09319	2.5
203.10696	6.6
204.59671	0.9
213.05504	2.6
213.09180	23.8
213.12915	26.4
213.16389	100.0
214.16774	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	214.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	7.5
57.03416	1.1
58.06572	1.1
69.03419	1.1
69.06734	1.0
69.07075	12.7
70.06583	2.1
70.98109	1.4
71.49049	1.3
72.08140	2.8
82.70175	1.0
82.99844	6.0
84.08150	4.2
85.02885	1.4
85.65087	0.8
86.09711	86.9
88.76919	0.9
97.02903	1.0
97.06537	10.0
98.97595	9.1
99.01936	1.1
100.02477	3.8
101.00887	55.0
102.00899	1.0
103.00617	0.8
109.26125	0.9
110.97604	1.4
112.02455	1.4
112.99154	1.0
113.00867	2.0
115.02419	1.7
116.98599	2.2
118.03534	9.9
119.01929	100.0
120.01986	1.8
126.09147	1.3
128.21628	0.7
128.98604	1.3
130.03540	1.4
131.01886	5.0
133.03464	5.0
135.93425	0.8
136.04535	1.5
137.02962	17.2
142.03427	1.1
143.01959	1.4
144.05086	1.7
144.08678	2.6
144.98073	1.1
145.03445	2.6
146.99640	1.3
148.03891	1.6
149.02908	1.1
151.04541	1.1
155.00243	0.9
155.01823	1.1
155.05513	1.8
161.02919	2.5
162.09764	1.2
168.08693	4.9
172.04579	3.4
172.97598	1.2
173.02940	3.0
173.06540	2.0
186.09775	55.9
187.09952	1.2
190.03893	1.3
190.98611	2.6
191.04053	4.1
191.07596	1.4
196.08191	2.9
197.06622	6.2
204.10818	15.4
214.03754	1.3
214.05779	2.0
214.09241	35.5
214.14276	1.1
215.07649	8.2
215.09457	1.3
232.10323	58.2
233.08670	2.7
233.10599	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.6
53.03943	1.4
55.01869	1.3
55.05518	3.0
56.96572	9.5
57.03422	0.9
57.07081	4.2
67.05507	1.6
69.03415	2.7
69.07065	7.4
69.70428	3.4
76.19701	0.6
79.05495	6.6
81.07072	3.3
83.04979	0.9
83.08614	2.5
88.07626	1.5
91.05482	7.9
93.07060	5.9
95.04974	1.4
95.08594	3.4
103.05470	1.9
105.07038	45.4
107.04978	1.5
107.08601	6.5
109.10146	0.7
115.05421	3.9
117.06995	3.6
119.08585	35.9
121.06491	1.5
121.10146	8.1
128.06230	13.4
129.07013	13.9
131.08568	10.3
133.10155	5.7
139.07553	0.8
141.06984	7.8
142.07790	24.6
143.08565	58.3
144.09325	1.1
145.06465	2.0
145.10132	6.7
148.04607	0.9
148.97366	0.8
152.06200	3.5
153.06946	1.6
154.07784	1.6
155.06064	1.1
155.08588	5.6
156.09355	13.8
157.06500	2.1
157.10136	58.6
158.10733	1.2
159.08069	1.6
159.11719	2.2
165.05771	0.6
165.07010	4.3
167.07111	1.8
167.08606	4.8
168.09254	0.9
169.06474	1.6
169.10141	6.2
170.07286	2.7
170.10916	8.7
171.08089	3.3
171.11697	41.6
172.08862	1.8
172.12241	1.3
180.07971	1.9
180.09366	3.0
183.08081	2.8
183.11723	6.5
184.12462	2.0
185.09633	11.9
185.13261	13.9
189.08522	0.7
193.08823	1.8
195.08092	2.7
195.10217	0.7
195.11699	5.0
198.06813	3.0
198.10437	4.4
198.13994	5.1
202.09290	3.1
203.10664	6.1
213.09187	17.3
213.13048	18.3
213.16386	100.0
214.09779	1.2
214.16606	1.2
215.04143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30219	0.4
53.03948	0.4
55.05515	6.8
57.75299	0.3
65.03927	0.4
67.05507	1.6
67.20078	0.3
69.07067	4.8
70.51995	0.6
70.52337	0.5
79.05502	1.4
81.07072	1.7
83.08626	12.9
83.09130	0.6
88.07635	0.5
91.05487	8.1
93.07059	1.1
94.89674	0.3
95.08613	4.1
97.10190	0.5
97.88525	0.4
101.83267	0.3
103.05499	0.8
105.07038	13.1
107.08612	0.9
109.10172	0.8
113.84170	0.3
115.05464	1.4
116.06248	2.4
117.07032	3.8
119.08588	3.6
121.10146	0.6
128.06218	4.0
129.07018	8.2
130.07788	1.1
131.08577	100.0
132.08925	1.1
133.10124	0.9
140.51289	0.3
141.06993	1.3
142.07784	11.9
143.08571	22.3
145.10135	29.4
155.06009	0.5
155.08546	1.3
156.09335	2.0
157.10138	53.7
158.10532	1.0
159.11768	0.5
167.07059	0.6
167.08679	0.6
169.10091	0.9
170.10880	0.7
171.07999	0.4
171.11696	11.6
172.12134	0.4
180.09431	0.4
183.08141	0.3
183.11668	0.8
184.12505	0.4
184.84866	0.3
185.09819	1.7
185.13252	2.1
195.06477	0.4
198.10382	0.7
198.14128	0.4
206.76245	0.3
213.09344	1.6
213.12772	2.2
213.16394	34.5
214.16765	0.5
214.21611	0.5
222.64091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33345	2.5
53.03953	4.5
55.01869	7.3
55.05524	19.7
56.96558	4.2
57.03431	7.5
57.71983	2.6
65.03949	3.0
67.05183	4.5
67.05512	59.8
69.03420	4.4
69.07072	22.2
70.05458	10.2
70.05875	5.8
71.04976	6.9
79.05506	34.8
81.07063	84.3
83.04986	13.0
83.08628	16.2
85.06530	2.7
91.05493	26.1
93.07059	51.2
95.04951	6.4
95.08618	24.8
97.06528	15.7
97.10125	3.5
99.08072	2.9
103.05447	3.8
105.04525	3.8
105.07037	10.3
107.05000	3.6
107.08614	29.2
109.06527	5.0
111.08070	6.0
115.05466	8.3
117.07048	15.8
119.08600	7.4
121.06570	4.2
121.10151	9.1
123.11737	3.3
128.06252	20.3
129.07039	28.5
131.08597	14.1
133.10158	15.3
135.11705	15.6
141.06973	19.9
142.07794	49.4
143.08562	19.4
145.06477	4.4
145.10138	3.1
148.64052	2.9
149.13281	25.5
152.06233	20.7
153.06967	6.3
154.07748	9.2
155.08644	6.1
156.09422	5.6
157.06480	7.1
157.10133	44.2
159.08072	4.4
159.11694	16.7
165.07033	14.2
166.07755	2.6
167.08563	28.7
168.09189	3.7
169.06595	4.4
169.10164	6.3
170.07297	13.0
170.10884	6.5
171.08075	12.0
171.11752	7.2
180.09323	4.1
183.08060	3.2
185.06009	3.7
185.09633	64.6
185.13289	10.9
195.08029	14.9
195.11732	7.6
195.13777	5.3
198.06766	10.0
198.10428	5.4
213.09131	100.0
213.12619	22.7
213.16415	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	213.1486
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
50.34907	1.4
53.03932	4.8
55.01879	17.8
55.05515	74.3
59.04985	1.7
63.98946	1.2
67.05186	2.4
67.05507	33.0
68.99776	3.2
69.03432	9.9
69.07072	18.5
70.63186	2.8
70.63555	2.4
71.04997	68.3
78.09422	1.3
79.05495	23.7
81.03427	10.0
81.07060	37.3
83.04958	6.1
83.08171	2.8
83.08624	47.9
85.06548	9.6
87.00812	2.3
87.04478	11.6
91.05490	8.2
93.07049	21.9
95.04939	4.4
95.08602	11.1
97.06539	100.0
97.10174	67.0
99.04439	2.9
105.07018	5.3
107.04937	4.6
107.08015	1.5
107.08611	19.8
109.02859	5.9
109.06517	3.1
109.10175	16.8
110.03635	5.2
110.75011	1.5
111.08067	3.8
113.05985	2.0
115.05456	2.3
117.07009	4.5
119.08553	3.2
121.06476	3.8
121.10093	4.8
123.04404	4.1
123.08104	1.5
125.08809	2.2
125.09641	38.4
127.03947	11.9
128.06216	5.5
129.07047	7.5
131.08528	5.2
133.10098	5.0
135.08029	8.2
135.11697	7.2
141.06955	4.7
142.07791	12.5
143.08530	4.0
145.06474	2.1
147.11697	2.0
149.13187	4.7
151.03827	2.6
152.06174	4.4
153.06941	2.4
153.09096	2.6
154.07735	2.2
155.08510	2.6
156.09259	2.2
157.06465	1.8
157.10121	12.8
159.11711	7.2
165.06978	2.7
167.06987	5.3
167.08595	5.0
170.07249	2.7
171.04446	1.6
171.07993	3.7
171.10284	1.5
171.11668	3.8
177.12750	9.5
180.09213	1.9
185.05991	1.8
185.09625	14.7
189.11226	9.1
193.83653	1.6
195.08032	2.8
195.13806	45.0
198.06718	1.7
213.03894	5.4
213.05777	1.7
213.09152	25.7
213.12750	6.9
213.14803	91.3
213.16333	5.0
214.15227	2.1
227.76193	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.6
53.03943	1.4
55.01869	1.3
55.05518	3.0
56.96572	9.5
57.03422	0.9
57.07081	4.2
67.05507	1.6
69.03415	2.7
69.07065	7.4
69.70428	3.4
76.19701	0.6
79.05495	6.6
81.07072	3.3
83.04979	0.9
83.08614	2.5
88.07626	1.5
91.05482	7.9
93.07060	5.9
95.04974	1.4
95.08594	3.4
103.05470	1.9
105.07038	45.4
107.04978	1.5
107.08601	6.5
109.10146	0.7
115.05421	3.9
117.06995	3.6
119.08585	35.9
121.06491	1.5
121.10146	8.1
128.06230	13.4
129.07013	13.9
131.08568	10.3
133.10155	5.7
139.07553	0.8
141.06984	7.8
142.07790	24.6
143.08565	58.3
144.09325	1.1
145.06465	2.0
145.10132	6.7
148.04607	0.9
148.97366	0.8
152.06200	3.5
153.06946	1.6
154.07784	1.6
155.06064	1.1
155.08588	5.6
156.09355	13.8
157.06500	2.1
157.10136	58.6
158.10733	1.2
159.08069	1.6
159.11719	2.2
165.05771	0.6
165.07010	4.3
167.07111	1.8
167.08606	4.8
168.09254	0.9
169.06474	1.6
169.10141	6.2
170.07286	2.7
170.10916	8.7
171.08089	3.3
171.11697	41.6
172.08862	1.8
172.12241	1.3
180.07971	1.9
180.09366	3.0
183.08081	2.8
183.11723	6.5
184.12462	2.0
185.09633	11.9
185.13261	13.9
189.08522	0.7
193.08823	1.8
195.08092	2.7
195.10217	0.7
195.11699	5.0
198.06813	3.0
198.10437	4.4
198.13994	5.1
202.09290	3.1
203.10664	6.1
213.09187	17.3
213.13048	18.3
213.16386	100.0
214.09779	1.2
214.16606	1.2
215.04143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.3
53.36031	2.6
55.01862	7.2
55.05514	23.9
56.96553	3.1
57.03425	9.7
57.07074	3.6
61.40892	2.7
65.03932	5.5
67.05195	4.3
67.05512	62.9
68.99772	2.8
69.03416	8.3
69.07076	22.0
71.04975	6.5
71.51226	4.3
79.05500	43.6
81.03410	7.6
81.06595	4.8
81.07057	84.0
83.04971	10.3
83.08630	16.5
85.02911	4.0
88.07641	2.7
91.05480	30.8
93.06487	4.2
93.07049	61.2
95.04973	5.2
95.08610	26.5
97.02881	5.6
97.06522	11.6
105.07047	19.6
107.04971	4.7
107.08595	30.3
109.02874	9.4
109.06501	3.7
109.10172	3.9
111.08049	6.8
112.68406	2.7
115.05430	8.6
117.07034	21.4
119.08575	12.9
121.06533	2.9
121.10156	11.5
123.04426	2.8
123.11693	3.4
127.03942	13.5
128.06219	16.0
128.71748	2.5
129.07028	29.6
131.08595	17.4
133.10129	18.2
135.08073	4.2
135.11728	13.1
141.06995	16.2
142.07787	49.0
143.08589	25.7
145.10114	18.1
149.13271	25.0
152.06203	15.7
153.06981	6.6
154.07800	7.8
155.08574	4.7
156.09378	5.6
157.06534	8.1
157.08894	2.0
157.10127	57.2
157.11337	4.5
159.08098	5.0
159.11710	19.4
165.06996	11.3
166.07767	3.3
167.07149	5.4
167.08542	28.1
169.06494	6.6
169.10118	8.4
170.07216	13.7
170.10938	3.8
171.08096	13.2
171.11702	25.5
177.12798	3.5
180.09444	4.0
183.11630	4.0
185.09630	50.2
185.13272	9.8
186.09998	3.6
195.08060	12.7
195.11737	2.9
195.13792	5.0
198.06749	10.1
198.10510	5.1
213.03767	4.3
213.05516	8.7
213.09135	100.0
213.12630	20.6
213.16391	59.0
214.09528	3.5
214.18025	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	213.1487
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03946	0.9
54.49105	0.5
55.01874	1.1
55.05275	1.0
55.05516	17.6
56.96560	0.7
57.03442	0.8
57.07080	10.2
59.35158	0.6
60.11640	0.6
67.05519	3.9
69.03427	1.5
69.07076	3.8
70.94873	1.3
70.95248	1.2
71.08640	0.7
77.03918	1.1
78.49812	0.7
79.05498	4.1
79.97758	0.6
81.07063	5.4
83.04982	8.3
83.08616	0.8
85.06555	5.9
88.07633	0.8
91.05485	5.6
93.07056	13.8
95.04961	1.9
95.08613	12.0
97.06534	5.4
103.05492	0.9
105.07041	6.7
107.04952	1.3
107.08606	20.9
109.06554	3.7
109.10175	3.2
111.04453	100.0
111.08076	4.9
112.04736	1.0
113.06034	2.1
115.05458	1.5
117.07032	1.8
119.08586	3.0
121.06541	4.3
121.10149	2.4
122.07294	1.4
123.08080	1.4
125.06003	28.9
127.07585	3.4
128.06241	3.8
129.07045	4.1
130.07817	1.5
130.96487	0.6
131.08560	2.3
135.08080	15.0
135.11703	23.4
137.13252	0.9
139.07553	4.2
141.07013	2.7
142.07802	7.9
143.08606	5.7
145.06523	1.1
145.10135	17.8
152.06252	2.4
153.07042	0.9
153.12743	6.0
154.07828	1.1
155.08548	1.6
156.09346	1.9
157.06516	0.8
157.10144	9.5
159.08008	0.8
163.11197	24.2
163.77957	0.7
165.07053	2.7
167.07205	1.5
167.08612	5.3
169.10185	1.5
170.07318	2.0
170.10953	1.0
171.08101	1.8
171.11714	3.5
180.09279	1.0
181.12247	40.1
182.12642	0.7
183.08061	1.2
185.09663	10.1
185.13326	1.9
195.08145	1.4
195.11890	1.1
195.13850	4.4
198.06830	1.8
198.10457	1.4
212.25183	0.6
213.09160	15.4
213.12866	7.9
213.14851	1.1
213.16405	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	213.1276
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
53.03958	1.7
55.01889	1.8
55.05502	5.6
56.96568	7.4
57.07075	4.0
60.94736	1.1
62.72328	1.1
67.05499	2.9
69.03420	5.7
69.07067	2.4
70.06643	1.3
70.82822	1.1
71.04980	3.7
71.08634	1.2
71.51216	2.4
77.03953	1.7
79.05499	5.3
81.07079	6.1
83.08605	2.7
83.44106	1.4
88.07616	4.4
91.05479	9.2
92.04065	1.2
93.07056	7.1
95.04986	1.8
95.08570	1.4
97.06529	1.3
103.05511	1.8
105.07040	17.4
107.04955	3.9
107.08595	4.0
109.10147	1.5
115.05408	6.6
117.07031	8.1
119.04903	2.2
119.08582	11.2
121.06505	2.7
121.10132	2.4
128.06223	25.3
129.07016	24.6
130.07788	1.4
131.08589	12.2
133.10196	1.5
135.08034	1.8
139.07466	2.0
141.07008	15.4
142.07797	34.3
143.08572	63.6
144.05728	1.7
144.09380	2.6
145.06506	3.8
145.10104	7.4
152.06206	7.8
153.06952	6.6
154.07738	6.6
155.06059	1.9
155.08557	27.6
156.09349	13.7
157.06570	8.3
157.10141	60.8
158.07216	1.5
159.08093	4.1
159.11682	4.5
165.07014	35.5
166.07796	2.3
167.07089	5.4
167.08615	16.6
168.09302	1.9
169.06490	2.7
169.10153	10.9
170.07341	4.4
170.10884	11.7
171.08060	24.7
171.11720	20.1
172.08789	4.1
179.08565	6.1
179.41830	1.2
180.07950	2.2
180.09348	30.5
180.10831	2.4
183.08081	9.6
183.11781	6.0
184.08835	3.2
185.06024	1.6
185.09662	26.1
185.13261	41.6
189.08624	5.6
195.06555	2.0
195.08061	2.6
195.11708	59.1
198.06757	4.3
198.10416	15.6
199.07431	1.5
202.09375	3.3
203.10680	1.6
211.09845	1.6
213.05620	3.3
213.09203	35.7
213.12769	100.0
213.16281	31.3
213.20493	1.6
214.25296	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	213.1276
Annotation	15-Cadalenal
Peak:m/z	Relative Intensity
51.45310	0.5
53.03938	1.3
55.01870	1.4
55.05514	5.0
56.96554	1.2
57.03429	0.8
67.05492	1.1
69.03423	3.6
69.07068	0.9
70.68343	1.6
71.04992	0.7
79.05483	3.7
81.07052	1.9
83.04985	1.5
91.05486	5.0
93.07041	5.3
95.04987	1.7
103.05479	1.2
105.07040	12.7
107.04980	0.9
107.08575	0.9
115.05428	3.6
117.07028	2.7
119.04918	0.9
119.08591	3.9
121.06489	1.5
128.05281	1.0
128.06229	20.2
129.07010	14.5
131.08565	6.6
141.06993	7.8
141.47905	0.6
142.07790	16.8
143.08568	46.0
144.09329	2.7
145.06558	1.4
145.10124	2.3
152.06250	1.7
153.06981	3.9
154.07727	3.9
155.06018	1.1
155.08563	15.5
156.09352	9.1
157.06508	8.3
157.10138	33.4
158.07249	1.3
159.08055	2.9
159.11694	6.0
165.07016	24.4
166.07785	1.6
167.07120	0.9
167.08582	9.0
168.09343	2.7
169.10133	9.2
170.03601	0.8
170.07246	1.5
170.10938	9.1
171.08057	37.0
171.11682	8.8
172.08757	2.7
179.08598	4.3
180.09352	21.9
183.08086	5.2
183.11696	5.5
184.08846	2.5
185.05983	0.9
185.09680	9.1
185.13263	41.4
193.10167	0.7
195.11703	46.1
197.09654	1.4
198.10420	8.9
213.05492	2.6
213.09212	7.1
213.12755	100.0
213.16315	3.6
214.13139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01874	1.5
65.41204	0.6
67.05502	0.9
68.75275	0.5
69.03438	1.6
70.06596	1.0
70.41520	0.5
71.04003	1.3
71.04982	0.7
73.33361	0.5
77.03922	0.8
78.04716	2.4
79.05495	8.3
81.03426	1.4
81.07039	0.7
85.02895	0.7
86.09704	0.7
91.05479	4.3
93.07053	1.2
95.04978	2.2
98.97598	2.0
103.05482	12.0
105.07034	9.1
105.41420	0.6
106.04176	2.7
107.04965	41.5
107.08601	1.6
109.02930	0.8
115.05458	2.6
117.06990	0.7
119.04936	0.8
120.05770	2.6
121.06520	0.9
122.03614	0.8
123.04429	7.2
124.05247	2.8
125.06055	0.6
125.09711	0.6
127.03916	0.7
131.04942	1.6
133.06502	0.6
134.03645	1.0
135.04478	1.1
135.08067	26.2
137.05997	1.6
139.03877	0.9
143.08646	0.6
145.07614	1.0
147.04443	1.3
149.05978	0.6
149.09616	1.1
151.03940	1.4
152.04712	3.1
154.06245	2.9
157.10146	0.9
163.03879	1.1
163.07568	22.0
165.05486	1.1
167.07054	100.0
168.07426	1.3
171.08122	0.7
177.00783	1.0
180.07872	3.0
180.09204	0.6
184.55107	0.5
195.06561	0.9
195.10187	14.8
195.11856	1.0
195.15689	0.7
198.10381	0.6
213.09213	1.3
213.11189	2.3
213.12793	1.8
213.14690	0.8
213.16765	0.7
220.67903	0.5
230.56985	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01873	0.7
70.49092	1.6
76.41879	0.5
77.03908	0.8
77.15454	0.5
78.04713	1.9
79.05499	8.7
81.07052	1.1
91.05479	3.7
93.06992	0.5
94.04186	0.5
95.04975	2.0
103.05470	8.8
105.04527	0.5
105.07042	5.5
106.04190	2.6
106.04798	0.5
107.04964	59.8
115.05450	3.0
117.07024	1.7
119.04949	0.5
120.05782	2.2
121.06469	1.3
122.03677	1.1
123.04441	7.2
124.05206	3.7
125.05988	0.8
127.03924	0.5
131.04932	2.1
133.02895	0.5
135.08067	14.9
137.05992	1.3
139.03920	0.6
145.07620	1.9
147.04407	1.4
149.05986	0.5
151.03917	1.4
152.04668	1.8
154.06265	2.3
155.93233	0.5
163.07552	24.1
166.39641	0.5
167.07051	100.0
168.07399	1.7
180.07828	3.3
195.08420	0.8
195.10181	13.7
213.11261	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	213.1123
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
52.29438	0.7
53.03937	1.1
70.32169	2.9
74.07359	0.8
75.51295	0.7
78.04700	2.5
79.05502	8.5
83.31244	0.7
91.05479	2.9
93.07054	1.0
95.04980	1.6
103.05474	5.6
105.07048	6.1
106.04180	1.7
107.04964	52.3
107.08624	0.8
107.21423	0.7
115.05457	2.1
117.07050	1.5
120.05756	1.9
123.04421	5.8
124.05214	2.5
131.04936	2.5
135.08070	14.8
137.05983	0.9
147.04427	1.4
151.03925	0.9
152.04659	2.1
154.06268	1.8
163.07562	23.8
167.07057	100.0
168.07449	0.9
180.07808	2.8
195.10182	13.5
199.09235	0.8
204.29303	1.0
213.11131	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.091
Annotation	Anthracene-cis-1,2-dihydrodiol
Peak:m/z	Relative Intensity
53.03949	0.6
53.95543	0.4
55.01875	2.9
64.33195	0.6
65.03932	1.1
67.01867	1.6
67.05498	0.8
69.03420	1.7
69.61031	2.6
69.61441	0.7
73.26453	0.5
79.05479	1.1
81.03412	0.7
83.01338	0.5
83.26411	0.5
89.46275	0.5
91.05482	5.3
91.20464	0.5
93.03443	0.5
93.07048	0.7
95.04984	0.5
103.05464	1.5
105.03394	0.8
105.07014	1.9
107.04951	1.1
115.05455	7.7
116.06245	0.9
117.06998	3.1
119.04932	0.8
119.08595	0.5
128.06229	15.2
129.07016	22.1
131.04909	1.9
131.08542	3.4
136.33501	0.5
141.06989	21.2
142.07787	49.0
143.04965	0.6
143.08578	10.2
144.05704	2.4
145.06496	5.2
145.09993	0.5
146.07414	0.5
152.06212	17.4
153.07021	6.6
153.32477	0.5
154.07785	10.7
155.04948	1.5
155.06015	1.3
155.08580	3.2
156.05695	0.8
157.06531	6.3
157.10136	27.7
159.08052	6.2
165.07011	8.8
166.07835	3.0
167.08569	38.6
168.09303	2.5
169.06468	7.0
169.07684	0.8
169.10120	4.8
170.07271	15.5
171.04414	0.8
171.08055	11.8
173.05946	0.8
180.37279	0.5
181.04915	1.0
181.06491	0.9
183.08037	1.9
184.05214	0.9
184.08859	1.2
185.06033	2.0
185.09624	54.7
186.09868	0.8
195.08049	14.7
195.09818	0.9
195.11635	0.5
197.06000	1.2
198.06778	9.3
198.34274	0.5
206.15231	0.4
213.09108	100.0
214.09457	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	213.0911
Annotation	Anthracene-cis-1,2-dihydrodiol
Peak:m/z	Relative Intensity
51.27754	0.7
53.03967	0.8
55.01872	4.9
55.53063	0.8
56.25139	0.7
61.11497	0.7
64.00787	0.7
65.03935	2.0
67.01852	2.1
67.05524	0.9
68.99801	0.8
69.03432	1.6
71.17699	1.7
79.05489	1.2
81.03402	1.0
91.05481	7.5
95.05037	0.8
95.86191	0.9
103.05457	1.6
105.03397	1.0
105.07038	2.9
107.04961	1.0
115.05455	9.0
116.06238	2.0
116.47581	0.7
117.07013	3.8
119.05010	1.1
128.05295	1.2
128.06232	18.7
129.07016	22.6
131.04950	1.9
131.08563	6.2
141.06982	19.0
142.07787	59.8
143.08572	12.3
144.05710	1.4
145.06505	5.4
145.10071	1.2
152.06213	19.2
153.06989	5.4
154.07794	10.4
155.04863	1.4
155.06053	1.6
155.08560	3.6
156.05711	1.2
157.06509	6.4
157.10139	26.7
159.08069	6.8
165.07005	8.9
166.07738	3.5
167.08575	34.8
168.09254	1.6
169.06468	5.8
169.10094	4.0
170.07288	16.2
171.04437	1.8
171.08049	14.5
183.08083	2.0
185.06036	3.0
185.09619	59.2
195.08061	12.8
197.06049	1.5
198.06798	10.7
213.09114	100.0
214.09425	1.7
231.10287	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.9
55.01877	8.4
55.05268	1.9
55.05519	24.9
55.30367	1.6
56.05029	2.5
56.96300	2.8
56.96570	49.6
56.96849	2.6
57.03434	15.0
57.07085	2.1
58.06597	4.1
58.99879	4.8
61.01144	2.1
61.02937	15.3
65.03944	2.1
67.05511	7.3
68.05044	1.8
69.03437	26.7
69.07076	4.1
70.06599	43.9
70.98120	3.5
70.99873	4.4
71.05001	20.4
71.49393	2.1
71.58555	1.6
71.94109	2.9
72.08149	4.5
73.02927	21.4
73.06562	13.2
74.09734	2.6
77.00920	5.2
79.05506	2.9
81.03439	11.3
82.01445	2.3
82.06594	2.8
82.59373	1.5
82.99860	4.0
83.04980	3.5
83.08628	2.1
84.04492	3.8
84.08153	18.5
84.96057	2.6
85.01426	1.9
85.02915	36.1
85.06564	2.5
85.08468	2.8
86.09705	6.0
86.99365	1.9
87.04473	5.4
88.02670	1.9
90.01607	2.1
90.70951	1.5
91.05499	5.4
93.01855	1.8
93.07059	3.4
94.06602	2.1
95.04973	8.8
96.02439	2.2
97.02904	23.2
98.06026	2.8
98.97597	30.6
99.04469	5.2
100.02397	5.4
100.99152	4.5
101.00885	35.7
102.00975	7.6
102.02374	2.3
103.00632	5.6
103.02470	3.2
103.03949	2.2
103.05441	2.1
105.00298	2.6
105.07066	2.5
107.04986	6.8
107.08616	1.9
109.02913	2.7
109.43755	1.9
110.01326	1.8
110.07182	3.0
110.97588	7.8
111.02970	2.6
111.04436	3.0
112.07625	24.0
113.00875	21.4
113.05995	4.0
113.07142	6.5
113.07955	8.6
114.02429	2.5
114.66252	2.0
115.02464	11.3
115.04059	4.0
116.98643	18.9
117.02023	2.0
117.03973	4.3
119.00162	3.1
119.01933	100.0
119.04985	3.7
120.02007	10.4
121.01631	8.6
123.02897	3.0
124.03747	2.2
124.07580	4.9
125.00937	3.0
125.02512	2.4
125.05992	3.3
125.07040	2.4
126.02444	2.1
126.03476	5.0
127.02419	8.9
127.03908	10.4
128.02272	3.5
128.98622	6.7
129.03966	4.7
130.96321	6.5
131.01921	68.6
131.05598	11.7
132.01968	3.6
132.03462	4.6
132.05208	5.5
133.01657	5.5
133.03487	28.0
133.05080	4.0
134.99704	10.1
135.03215	3.0
136.06219	3.3
137.02979	20.1
137.05977	9.0
138.03423	3.1
138.05286	6.2
139.02577	2.2
141.03999	3.3
141.05722	2.6
142.03540	4.6
143.00174	5.7
143.01907	37.2
143.03638	4.3
143.05591	2.8
144.02104	3.7
144.03262	3.5
144.05107	3.7
144.98117	4.4
145.01675	6.5
145.03479	36.2
145.04591	2.7
145.05147	3.0
146.03598	2.0
146.99673	7.8
147.01385	5.7
147.03137	3.5
147.04106	4.2
147.05823	50.1
147.55914	14.5
148.05762	2.4
148.97362	9.9
149.02960	16.8
149.06563	12.2
150.03099	3.4
151.04662	2.8
153.04047	3.0
153.05611	2.0
153.54446	4.3
154.03500	2.3
154.94173	2.4
155.01930	6.2
155.04669	18.1
156.05049	2.2
156.97514	2.0
157.03497	10.0
157.10193	1.9
158.06670	3.9
158.99683	5.1
159.01425	2.1
159.05074	4.4
159.06781	21.5
161.01244	6.5
161.02982	39.6
161.06596	5.0
162.01776	7.4
162.03120	6.6
162.04343	2.4
162.99200	2.9
163.02773	7.9
163.04558	11.5
163.08244	2.0
165.00757	3.7
167.02007	3.1
167.07053	8.0
167.08444	2.6
168.04546	2.8
168.06647	2.2
168.10291	3.4
169.03577	3.1
170.06660	3.9
170.99242	6.2
171.01315	19.4
171.02507	2.1
171.05055	13.9
171.06476	3.0
172.02893	2.7
172.04547	3.8
172.97664	3.2
173.01552	3.2
173.02991	22.1
173.04576	4.4
173.06606	10.4
174.04486	2.6
175.03065	2.2
175.04527	7.7
175.08223	2.3
176.07744	2.8
176.54814	2.1
177.00826	3.8
177.02312	3.5
177.07776	11.4
178.07457	1.9
179.07059	2.6
181.04961	4.7
181.13405	3.1
183.04974	2.7
185.02963	21.1
185.06586	7.2
185.09976	4.6
186.02856	2.5
187.02843	3.1
187.04520	5.4
187.08174	6.1
188.07689	3.9
189.00600	7.4
189.02473	7.5
189.04347	3.3
189.06131	13.6
189.07860	12.7
189.97713	3.4
190.02509	3.0
190.04033	2.7
190.05743	5.1
190.98637	5.5
191.02364	3.1
191.03951	12.3
191.07671	2.3
195.04999	3.4
195.06648	4.0
196.09645	4.5
201.06140	2.5
203.04042	20.5
203.05807	2.9
203.07671	5.1
204.07414	3.5
205.03864	2.3
205.05658	2.5
207.03458	2.9
208.99782	3.8
212.84138	2.5
213.00519	3.9
213.02412	31.1
213.05942	6.9
213.07867	35.5
213.09756	3.9
213.12323	8.4
213.16028	8.8
213.17963	2.8
214.07515	3.6
214.10803	3.5
215.07658	2.7
221.05049	4.9
231.01596	2.8
231.03535	15.1
231.08939	28.0
231.11069	1.9
232.06891	2.3
233.05086	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.71560	1.0
51.02389	1.2
53.03952	2.3
55.01870	1.9
55.05514	18.7
56.05841	1.2
57.03438	3.4
57.07083	5.6
59.05003	4.0
59.09369	1.1
65.03922	2.2
67.05510	32.9
69.03424	9.5
69.06725	1.8
69.07071	18.6
71.04993	5.1
71.08629	1.5
71.50055	1.4
77.92242	1.0
79.05499	10.0
81.03418	4.8
81.07061	34.9
83.04980	15.9
83.08623	15.0
85.02930	1.0
85.06562	6.7
91.05483	9.6
93.07051	18.1
95.04975	5.7
95.08613	43.7
97.06525	3.4
97.10174	4.0
99.08081	3.4
105.07034	12.4
107.04988	1.1
107.08601	28.5
109.06524	12.1
109.10163	100.0
111.08086	4.4
113.09637	1.4
117.07019	1.7
119.04961	1.2
119.08591	24.8
121.06487	1.7
121.10149	13.8
123.04437	4.6
123.08071	15.1
123.11724	13.1
125.09649	2.4
133.06464	1.9
133.10136	20.4
135.08098	1.3
135.11699	65.6
137.05940	1.6
137.09612	19.0
139.11142	3.5
147.11697	4.9
149.13280	5.9
151.07591	2.7
151.11224	10.4
151.14819	11.7
153.06985	1.2
153.12776	2.5
155.08559	2.6
163.14879	1.6
165.16385	2.7
167.07050	3.4
167.14275	1.5
169.10146	2.1
175.14835	21.2
179.07033	10.1
183.11644	1.2
183.15742	4.1
184.09659	1.7
190.61880	1.0
193.08597	1.8
193.12236	2.3
193.15863	17.7
211.07610	2.3
211.11247	1.6
211.15001	3.4
211.16943	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	213.0759
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03941	3.7
55.01873	1.7
61.02930	10.1
61.14587	0.9
65.03944	8.7
67.05487	3.4
69.84128	2.7
69.84528	2.0
70.06607	9.6
72.08149	3.4
77.03934	1.8
79.05072	1.6
79.05499	20.0
81.07071	1.3
85.06547	1.2
86.09693	1.2
89.03922	2.0
90.55154	0.7
91.05481	5.2
93.03410	11.9
93.07027	1.1
94.04192	1.0
95.04955	3.8
98.21069	2.6
98.97590	1.2
105.03410	1.5
105.07049	1.1
107.04966	32.2
107.08608	1.2
108.02099	3.7
109.02892	2.1
109.06545	1.3
110.03677	24.8
111.04456	8.6
112.46961	0.8
114.05417	1.0
115.05486	1.0
116.07134	1.0
117.03392	2.0
119.04932	2.5
121.06510	10.1
121.10056	0.9
122.03662	6.5
123.04431	1.2
124.05212	1.2
125.06006	65.7
130.96323	2.6
133.02861	13.6
134.03627	1.5
135.04431	28.8
135.08092	1.4
136.01683	0.8
137.05974	6.3
141.05460	1.6
148.97368	2.4
149.05991	24.5
150.03148	10.5
151.03925	100.0
151.05035	10.4
152.04233	1.5
153.05496	12.5
162.03125	1.8
163.03954	8.0
163.07587	1.0
165.05486	40.0
167.03285	1.4
167.07054	24.8
177.05475	21.4
189.97635	1.4
195.04828	1.1
195.06551	13.0
195.10188	2.8
213.05655	1.5
213.07585	5.3
213.09377	1.7
213.12398	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	213.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.9
55.01877	8.4
55.05268	1.9
55.05519	24.9
55.30367	1.6
56.05029	2.5
56.96300	2.8
56.96570	49.6
56.96849	2.6
57.03434	15.0
57.07085	2.1
58.06597	4.1
58.99879	4.8
61.01144	2.1
61.02937	15.3
65.03944	2.1
67.05511	7.3
68.05044	1.8
69.03437	26.7
69.07076	4.1
70.06599	43.9
70.98120	3.5
70.99873	4.4
71.05001	20.4
71.49393	2.1
71.58555	1.6
71.94109	2.9
72.08149	4.5
73.02927	21.4
73.06562	13.2
74.09734	2.6
77.00920	5.2
79.05506	2.9
81.03439	11.3
82.01445	2.3
82.06594	2.8
82.59373	1.5
82.99860	4.0
83.04980	3.5
83.08628	2.1
84.04492	3.8
84.08153	18.5
84.96057	2.6
85.01426	1.9
85.02915	36.1
85.06564	2.5
85.08468	2.8
86.09705	6.0
86.99365	1.9
87.04473	5.4
88.02670	1.9
90.01607	2.1
90.70951	1.5
91.05499	5.4
93.01855	1.8
93.07059	3.4
94.06602	2.1
95.04973	8.8
96.02439	2.2
97.02904	23.2
98.06026	2.8
98.97597	30.6
99.04469	5.2
100.02397	5.4
100.99152	4.5
101.00885	35.7
102.00975	7.6
102.02374	2.3
103.00632	5.6
103.02470	3.2
103.03949	2.2
103.05441	2.1
105.00298	2.6
105.07066	2.5
107.04986	6.8
107.08616	1.9
109.02913	2.7
109.43755	1.9
110.01326	1.8
110.07182	3.0
110.97588	7.8
111.02970	2.6
111.04436	3.0
112.07625	24.0
113.00875	21.4
113.05995	4.0
113.07142	6.5
113.07955	8.6
114.02429	2.5
114.66252	2.0
115.02464	11.3
115.04059	4.0
116.98643	18.9
117.02023	2.0
117.03973	4.3
119.00162	3.1
119.01933	100.0
119.04985	3.7
120.02007	10.4
121.01631	8.6
123.02897	3.0
124.03747	2.2
124.07580	4.9
125.00937	3.0
125.02512	2.4
125.05992	3.3
125.07040	2.4
126.02444	2.1
126.03476	5.0
127.02419	8.9
127.03908	10.4
128.02272	3.5
128.98622	6.7
129.03966	4.7
130.96321	6.5
131.01921	68.6
131.05598	11.7
132.01968	3.6
132.03462	4.6
132.05208	5.5
133.01657	5.5
133.03487	28.0
133.05080	4.0
134.99704	10.1
135.03215	3.0
136.06219	3.3
137.02979	20.1
137.05977	9.0
138.03423	3.1
138.05286	6.2
139.02577	2.2
141.03999	3.3
141.05722	2.6
142.03540	4.6
143.00174	5.7
143.01907	37.2
143.03638	4.3
143.05591	2.8
144.02104	3.7
144.03262	3.5
144.05107	3.7
144.98117	4.4
145.01675	6.5
145.03479	36.2
145.04591	2.7
145.05147	3.0
146.03598	2.0
146.99673	7.8
147.01385	5.7
147.03137	3.5
147.04106	4.2
147.05823	50.1
147.55914	14.5
148.05762	2.4
148.97362	9.9
149.02960	16.8
149.06563	12.2
150.03099	3.4
151.04662	2.8
153.04047	3.0
153.05611	2.0
153.54446	4.3
154.03500	2.3
154.94173	2.4
155.01930	6.2
155.04669	18.1
156.05049	2.2
156.97514	2.0
157.03497	10.0
157.10193	1.9
158.06670	3.9
158.99683	5.1
159.01425	2.1
159.05074	4.4
159.06781	21.5
161.01244	6.5
161.02982	39.6
161.06596	5.0
162.01776	7.4
162.03120	6.6
162.04343	2.4
162.99200	2.9
163.02773	7.9
163.04558	11.5
163.08244	2.0
165.00757	3.7
167.02007	3.1
167.07053	8.0
167.08444	2.6
168.04546	2.8
168.06647	2.2
168.10291	3.4
169.03577	3.1
170.06660	3.9
170.99242	6.2
171.01315	19.4
171.02507	2.1
171.05055	13.9
171.06476	3.0
172.02893	2.7
172.04547	3.8
172.97664	3.2
173.01552	3.2
173.02991	22.1
173.04576	4.4
173.06606	10.4
174.04486	2.6
175.03065	2.2
175.04527	7.7
175.08223	2.3
176.07744	2.8
176.54814	2.1
177.00826	3.8
177.02312	3.5
177.07776	11.4
178.07457	1.9
179.07059	2.6
181.04961	4.7
181.13405	3.1
183.04974	2.7
185.02963	21.1
185.06586	7.2
185.09976	4.6
186.02856	2.5
187.02843	3.1
187.04520	5.4
187.08174	6.1
188.07689	3.9
189.00600	7.4
189.02473	7.5
189.04347	3.3
189.06131	13.6
189.07860	12.7
189.97713	3.4
190.02509	3.0
190.04033	2.7
190.05743	5.1
190.98637	5.5
191.02364	3.1
191.03951	12.3
191.07671	2.3
195.04999	3.4
195.06648	4.0
196.09645	4.5
201.06140	2.5
203.04042	20.5
203.05807	2.9
203.07671	5.1
204.07414	3.5
205.03864	2.3
205.05658	2.5
207.03458	2.9
208.99782	3.8
212.84138	2.5
213.00519	3.9
213.02412	31.1
213.05942	6.9
213.07867	35.5
213.09756	3.9
213.12323	8.4
213.16028	8.8
213.17963	2.8
214.07515	3.6
214.10803	3.5
215.07658	2.7
221.05049	4.9
231.01596	2.8
231.03535	15.1
231.08939	28.0
231.11069	1.9
232.06891	2.3
233.05086	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	211.1695
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03952	4.1
55.01876	13.3
55.05515	25.9
55.24223	1.4
57.03437	6.3
57.07080	5.4
59.05002	5.5
60.11131	1.5
65.03938	3.0
67.05510	35.6
69.03432	7.3
69.07072	50.0
69.38197	1.5
71.05001	32.0
77.03896	1.5
79.05499	28.3
81.03429	14.7
81.07065	68.9
81.73921	1.5
83.04991	22.6
83.08632	10.4
85.06551	53.0
91.05491	31.9
93.07055	72.4
95.04977	28.4
95.08618	56.0
95.09237	1.8
97.02917	2.2
97.06541	31.4
99.04459	9.5
99.08096	17.7
102.57846	1.5
105.07037	58.5
107.04978	2.3
107.08609	70.2
109.06538	8.6
109.10168	79.0
110.41471	1.5
111.04456	1.6
111.08100	21.8
113.06008	10.3
113.09646	3.2
115.03924	1.9
115.05502	1.9
115.07557	2.4
117.07056	2.2
118.04160	2.1
119.04970	1.8
119.08595	43.4
121.06518	6.2
121.10129	16.9
123.04428	4.7
123.08083	5.9
123.11726	26.0
125.05946	2.2
125.09665	7.5
127.07569	1.7
127.11215	3.7
129.07004	2.3
131.08589	6.8
133.06509	6.1
133.10144	61.5
135.08051	8.1
135.11703	100.0
136.12015	2.3
137.05963	6.2
137.09610	9.7
139.07613	1.6
139.11172	2.0
141.05539	1.8
141.06964	2.4
142.07820	2.7
145.10181	2.7
147.08055	1.6
147.11710	35.1
147.12817	2.9
149.06027	3.4
149.09673	3.1
149.13268	18.8
151.03848	1.9
151.07579	2.7
151.11189	18.7
151.14815	5.7
152.11606	1.7
153.06995	2.1
153.12761	52.6
153.13969	3.2
155.08580	4.1
157.10141	6.3
165.07002	2.9
165.09152	1.8
165.12775	16.6
166.08685	1.9
167.07066	8.6
167.08411	2.3
167.14384	4.5
168.05739	4.2
169.10078	4.3
169.12215	17.5
175.11217	17.3
175.14844	41.7
179.07071	5.0
181.10187	2.9
184.09702	3.9
193.08632	4.9
193.10536	2.7
193.12254	18.5
193.15915	6.9
196.05435	1.6
196.08916	1.7
211.07654	10.0
211.11200	6.4
211.13319	11.8
211.14940	4.9
211.16858	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.01871	6.1
55.05514	23.9
57.03446	6.0
57.07062	3.2
58.54045	1.0
59.04994	4.2
65.03944	2.3
67.05510	28.7
68.99801	1.0
69.03432	11.2
69.07072	13.8
69.58002	4.9
69.58414	2.0
71.04992	5.9
79.05064	1.8
79.05495	24.2
81.03419	30.5
81.07053	35.5
82.61588	1.0
83.04981	22.4
83.08622	17.5
85.02898	1.5
85.06561	5.2
91.05484	26.2
93.06490	1.4
93.07047	25.1
93.34449	0.9
95.04974	20.7
95.08608	35.4
96.18488	1.1
97.02857	1.9
97.06531	9.6
97.10152	3.7
99.04446	2.4
99.05610	1.0
99.08096	18.5
103.05476	5.2
105.04553	1.1
105.07030	31.8
107.04966	5.1
107.08595	17.9
108.05724	1.4
109.06532	8.6
109.10159	33.9
110.03661	2.5
111.04452	1.2
111.08089	10.8
115.05415	1.2
117.07029	2.1
118.04153	3.7
119.04978	7.2
119.08585	29.4
121.06497	4.0
121.10138	10.0
123.04432	50.9
123.08068	9.9
123.11722	10.3
125.05962	1.7
125.09637	5.6
127.07507	1.3
129.07011	3.7
131.08559	4.7
133.06508	9.6
133.10144	17.0
135.08051	1.8
135.11694	19.0
136.05170	1.5
137.05986	4.2
137.09593	11.1
141.07062	1.2
141.09058	1.4
147.04407	3.9
147.08043	1.2
147.11691	11.6
149.05974	4.0
149.09634	1.9
149.13254	6.8
150.06746	6.3
151.03899	3.7
151.07561	26.8
151.11209	7.2
151.14842	6.6
153.12767	1.6
155.08582	1.7
157.10141	5.0
161.07146	2.4
165.09131	4.0
165.11201	0.9
165.12772	4.8
165.16412	1.6
167.07040	9.6
168.09320	1.4
169.10085	1.9
170.06085	1.0
175.11140	8.0
175.14809	15.0
179.07037	100.0
180.07419	2.4
181.08629	2.3
183.11777	1.5
185.28386	1.2
193.08682	9.9
193.10316	1.9
193.12218	13.8
193.15895	15.5
211.07602	2.9
211.09633	11.5
211.11292	1.7
211.13130	7.9
211.16884	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	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11657	1.0
53.03939	2.8
54.32137	0.9
55.01868	2.5
55.05514	13.2
57.03430	2.5
57.07082	6.4
59.04995	2.8
67.05508	21.6
68.27548	0.9
69.03429	6.5
69.07073	13.9
70.65946	2.0
70.66340	1.9
71.05010	4.7
73.06544	1.5
77.03914	1.0
79.05500	11.7
81.03416	5.2
81.07061	20.6
83.04978	9.2
83.08624	6.1
85.02937	1.0
85.06551	2.8
87.04460	1.6
91.05481	15.3
93.06487	1.4
93.07050	21.9
95.04970	12.7
95.08614	35.3
97.06525	4.9
97.10150	2.8
99.04456	3.5
99.08124	4.5
103.05475	4.3
105.07038	20.4
107.04948	2.4
107.08600	18.3
109.02932	1.4
109.06546	6.4
109.10159	54.4
110.03672	2.1
111.04458	1.4
111.08068	6.8
113.06008	1.8
115.05473	1.9
118.04162	2.6
119.04971	7.7
119.05753	1.4
119.08588	24.4
121.02886	1.1
121.06490	2.4
121.10155	8.7
123.04437	52.2
123.08064	8.3
123.11722	12.8
125.09641	11.9
127.07606	1.1
131.08586	1.2
133.06499	7.0
133.10133	27.0
135.04433	1.2
135.07997	1.3
135.11693	22.8
136.05217	1.6
137.05956	4.0
137.09618	15.3
137.13229	1.1
139.11263	1.1
146.03604	1.2
147.04416	5.3
147.11684	4.4
149.05971	5.0
149.13303	2.4
150.06781	2.8
151.03906	4.3
151.07542	31.8
151.11234	2.2
151.14836	4.2
153.12750	1.8
155.08614	1.6
155.10693	4.6
157.10104	2.0
161.05954	2.0
161.07179	1.9
165.09154	3.6
165.12740	1.2
165.16380	5.4
167.07072	8.8
168.09300	2.2
175.11256	1.8
175.14830	23.0
178.06302	1.2
179.07039	100.0
180.07483	2.2
181.08627	2.0
183.11674	1.8
184.09680	1.4
193.08652	6.0
193.10216	1.4
193.12248	2.5
193.15926	9.7
211.07623	2.5
211.09648	12.5
211.11288	1.9
211.13083	1.9
211.15038	1.2
211.16922	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	211.1694
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
55.01852	1.3
55.05267	1.3
55.05516	18.2
55.42270	1.0
57.03427	3.0
57.07073	3.7
59.04987	2.3
63.32099	0.8
67.05508	29.4
69.03438	10.2
69.07075	17.4
69.28865	7.8
71.04991	4.0
71.08623	2.1
75.56982	0.9
79.05489	8.2
81.03421	6.2
81.06590	1.9
81.07059	31.5
83.04988	18.1
83.08625	11.7
85.06569	5.1
87.08095	1.4
91.05497	8.4
93.07050	13.8
94.76545	0.9
95.04980	4.4
95.08610	41.5
97.06538	2.3
97.10174	3.0
99.08099	5.5
103.12609	0.9
105.07023	11.9
107.04950	1.2
107.08600	28.3
109.06527	13.0
109.10165	100.0
110.10506	1.9
111.08075	4.9
113.09639	2.6
117.06993	1.3
117.43541	0.9
119.08588	26.5
121.06509	1.0
121.10160	13.9
123.04422	2.5
123.08076	16.1
123.11725	10.8
125.09647	2.7
127.11205	1.2
127.12310	0.8
129.06990	1.1
131.08548	1.7
133.10143	21.4
135.11699	64.4
137.09624	16.4
138.10367	1.2
139.11180	2.6
147.11659	2.4
149.09723	1.0
149.13268	6.3
151.07535	1.4
151.11192	11.1
151.14812	11.5
153.12735	3.5
155.08554	1.5
165.12750	1.5
165.16377	2.7
167.07066	2.3
169.10162	2.2
175.11230	1.0
175.14830	18.5
179.07037	4.2
181.10136	1.6
183.11766	1.3
193.12277	1.5
193.15895	16.4
211.07605	1.8
211.11186	2.5
211.14796	3.3
211.16960	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	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39906	1.6
53.03940	3.1
55.01875	3.7
55.05275	2.1
55.05519	32.5
57.03453	7.7
57.07072	5.3
59.05015	3.0
59.94909	1.3
65.03922	2.1
66.62792	1.2
67.05512	43.2
69.03438	13.6
69.06738	1.4
69.07080	24.3
70.19936	1.3
71.05008	8.4
71.08627	2.2
71.10767	2.0
79.05499	19.8
81.03429	49.3
81.07065	45.8
83.04991	37.2
83.08629	23.9
85.02917	1.4
85.06551	18.3
91.05497	26.9
91.75728	1.4
93.07056	29.2
94.79294	1.2
95.04978	23.1
95.08615	48.2
97.02924	1.7
97.06535	5.6
97.10196	6.3
97.71975	1.2
99.08097	10.1
105.03432	1.2
105.07050	21.2
106.04163	1.4
107.04951	3.9
107.08604	37.7
109.06551	12.4
109.10167	100.0
110.10541	1.3
111.08095	9.7
113.06042	2.3
113.09649	1.7
115.68993	1.4
117.07018	2.2
119.08598	36.5
121.06496	1.5
121.10167	15.4
123.08098	13.9
123.11728	11.5
125.06021	1.5
125.09649	5.4
127.11177	1.7
129.07028	6.2
131.08586	4.7
133.06465	3.0
133.10149	26.8
135.11708	72.0
137.09633	20.1
139.11191	2.1
142.07811	2.8
147.08122	2.2
147.11711	13.2
149.09627	4.9
149.13258	7.9
151.11162	9.7
151.14807	10.8
153.12781	15.6
155.08594	3.8
157.10172	9.4
165.12808	4.8
165.16467	2.1
166.61240	1.3
167.07117	9.8
167.08517	2.1
167.14401	1.5
168.09277	1.7
169.10139	2.9
175.11261	8.6
175.14854	24.1
179.07043	2.8
181.10040	1.9
183.08171	1.5
183.11746	2.0
193.10457	2.3
193.12277	17.7
193.14012	2.1
193.14314	1.9
193.15924	14.0
211.07530	4.0
211.11229	4.8
211.13318	6.4
211.14957	3.2
211.16893	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	211.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.05519	2.9
67.05509	4.3
69.07066	2.8
71.05515	0.7
79.05495	3.3
81.03416	1.5
81.07059	6.6
83.04990	0.6
83.08626	0.7
84.52683	0.5
91.05482	6.5
93.07047	4.0
95.04984	1.0
95.08624	2.8
103.05488	0.6
105.07039	7.7
107.08601	1.2
109.10126	0.6
115.05460	0.9
117.06994	2.9
119.08584	4.8
128.06215	4.0
129.07013	12.8
131.08568	7.9
133.10126	1.0
137.09590	0.5
141.06992	12.2
142.07791	2.8
143.08566	12.2
143.09686	0.7
145.10152	2.0
147.11722	0.8
152.06157	1.0
153.06976	4.5
154.07780	10.3
155.08563	54.7
156.09369	3.0
157.10162	5.6
165.07079	0.7
166.07816	0.8
167.08559	9.0
167.09879	0.7
168.09363	5.6
169.10136	67.1
170.10890	2.8
181.10121	9.1
182.10905	7.1
183.11705	19.9
184.12013	0.7
195.11678	0.5
196.12489	10.0
209.13245	0.9
210.78966	0.6
211.14830	100.0
212.09303	0.6
212.15211	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03951	1.3
55.01871	3.5
55.05515	11.3
57.03423	2.7
57.07076	3.2
59.05013	1.2
65.03924	1.3
67.05505	17.3
68.99809	1.0
69.03430	6.1
69.06725	0.9
69.07069	10.8
69.46002	5.0
71.05006	4.9
71.08633	0.7
72.53815	0.6
76.76143	0.6
77.03925	1.0
78.04684	1.0
79.05501	11.2
80.70671	0.7
81.03412	4.7
81.07063	20.1
83.04981	7.0
83.08629	7.9
85.06548	5.3
91.05482	12.8
93.07050	15.3
95.04968	9.3
95.08611	28.7
97.06532	7.0
97.10168	1.9
99.04434	2.1
99.08102	15.1
103.05478	3.1
105.03452	1.2
105.07043	20.7
105.87329	0.6
106.07298	0.6
107.04938	2.7
107.08601	17.7
108.05702	1.1
109.02914	0.9
109.06519	6.5
109.10161	25.0
110.03665	2.7
111.04425	0.8
111.08110	5.3
113.09605	1.0
115.05463	1.3
118.04170	4.1
119.04944	7.6
119.08582	15.7
121.02885	1.0
121.06518	3.4
121.10136	6.6
123.04431	52.1
123.08057	8.6
123.11703	6.9
125.05988	1.0
125.09634	3.4
129.06999	1.5
131.08595	1.2
133.06491	7.7
133.10133	9.8
135.04463	1.5
135.08075	1.5
135.11702	14.9
136.05197	2.1
137.06006	3.1
137.09621	9.1
139.11238	1.2
141.09175	0.9
145.10170	0.8
146.03522	0.7
147.04414	5.5
147.11707	4.7
149.05966	3.4
149.13232	5.0
150.06795	4.5
150.07860	0.9
151.03937	4.3
151.07553	29.5
151.11160	3.0
151.14854	4.5
153.07024	0.6
153.12764	2.2
155.01622	2.2
157.10071	0.7
161.05983	1.9
161.07132	1.2
163.14868	1.4
165.09140	4.4
165.12808	0.9
165.16393	2.9
167.07083	6.2
169.03223	1.2
175.11209	1.5
175.14821	17.7
179.07042	100.0
180.07376	3.5
181.08591	1.0
183.11743	0.9
193.08647	10.9
193.10321	1.4
193.12282	2.9
193.15884	14.4
196.08844	1.4
211.07730	1.0
211.09654	13.6
211.11272	1.9
211.13283	2.3
211.15074	0.9
211.16914	12.7
221.10510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
51.78970	1.4
53.03939	5.7
53.13530	1.2
55.01866	5.7
55.05516	46.6
57.03438	18.8
62.95289	1.6
64.91755	1.5
65.03943	1.6
67.05507	30.7
69.03424	9.8
69.07073	11.1
70.79419	2.7
71.04987	4.8
79.05070	2.8
79.05497	36.4
81.03421	100.0
81.07058	37.8
83.04985	53.7
83.08624	34.9
85.06528	2.2
87.04420	1.5
91.05486	36.1
92.64987	1.6
93.07052	16.5
95.04968	32.6
95.08605	12.3
97.02918	3.3
97.06533	4.2
97.10181	8.3
99.08131	2.5
102.02277	1.4
105.07037	24.2
107.04934	4.9
107.08586	9.0
109.06517	5.2
109.10139	2.7
111.08090	11.7
115.05490	1.4
117.06980	1.8
119.08586	21.0
121.06561	1.7
121.10143	7.8
123.08096	3.4
129.07013	13.0
131.08580	8.9
133.06546	4.1
133.10135	13.1
142.07809	3.9
147.08076	3.5
147.11714	13.6
149.09644	7.6
155.08548	3.2
157.10161	15.4
164.91679	1.6
165.12814	3.2
169.10123	3.3
175.11200	17.1
181.10107	2.8
193.12254	33.7
211.13292	16.4
211.14963	3.7
219.40063	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
50.88499	2.4
53.03930	5.8
55.01871	16.3
55.05511	20.4
57.03432	5.9
63.66068	2.5
65.03927	3.6
67.05136	3.6
67.05506	53.3
69.03427	3.5
69.07072	23.8
70.95533	7.9
71.04983	10.8
77.03916	2.7
79.05499	35.2
80.71069	2.6
81.03420	11.9
81.06589	5.9
81.07059	100.0
83.04987	14.1
83.08623	8.6
85.06538	7.3
91.05486	73.7
93.07043	27.3
95.04979	15.1
95.08611	26.4
97.06525	22.9
99.08102	4.2
105.07045	54.7
107.04958	3.7
107.08578	16.2
108.43291	2.5
109.06521	13.3
109.10160	9.5
111.08044	3.7
113.06034	2.9
116.82562	2.5
117.07012	4.6
119.04929	2.7
119.08591	52.1
121.10143	22.2
123.08049	9.3
123.11723	30.4
125.06007	3.0
128.06229	3.1
129.06987	15.8
131.08559	11.5
133.10141	50.3
135.11673	8.8
137.09627	5.0
137.13251	3.8
142.07770	3.9
146.03639	2.6
147.11699	85.1
149.09625	8.6
151.07613	3.2
151.11224	4.2
153.06955	6.5
155.08594	7.1
157.10153	27.3
165.06944	3.2
165.12776	22.6
168.05733	4.9
168.09398	3.9
169.10144	5.1
175.11218	27.9
175.14763	5.6
181.10097	4.9
183.08035	10.6
183.11685	6.0
184.09843	4.4
193.10396	3.9
193.12244	19.0
196.08855	4.9
196.12497	3.7
211.07582	7.1
211.11189	10.5
211.13269	11.1
211.14857	9.3
212.09207	3.2
226.74149	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.05509	2.5
57.03422	0.9
67.05498	3.4
69.03399	0.5
69.07059	2.3
71.07931	1.0
73.75213	0.4
76.61242	0.4
79.05495	4.1
80.14629	0.4
81.03405	1.6
81.07065	7.4
83.04958	0.6
83.08620	0.5
91.05479	6.0
93.07051	3.2
93.99795	0.4
95.04964	1.3
95.08606	3.3
97.06528	0.6
98.94411	0.4
102.17670	0.4
105.07039	9.5
107.08565	1.3
109.10157	0.5
115.05426	1.6
117.07025	3.3
119.08585	4.1
128.06216	4.5
129.07013	13.9
131.08582	8.1
133.10153	1.0
141.06993	12.2
142.07834	2.4
143.08571	12.7
143.09702	0.7
145.10109	1.6
147.11684	0.9
152.06157	0.5
153.06984	5.9
154.07776	8.8
155.08565	52.5
156.09352	2.6
157.10127	4.2
166.07768	0.8
167.08586	8.1
168.09343	6.0
169.10135	70.2
170.10814	3.6
181.10123	9.2
182.10931	7.9
183.11703	20.7
184.09744	0.5
193.12361	0.4
195.11700	0.5
196.08743	0.4
196.12494	10.0
209.13181	1.0
211.14833	100.0
212.09087	0.4
212.15202	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03952	6.5
55.01883	5.2
55.05516	41.1
57.03444	8.3
57.07074	1.8
59.05000	1.3
62.31891	1.2
65.03932	2.4
67.05513	28.9
69.03429	9.5
69.07076	11.7
69.34255	8.6
71.05008	6.3
79.05499	30.7
81.03426	100.0
81.06593	2.1
81.07061	38.5
83.04991	45.8
83.08153	1.8
83.08627	31.5
85.02903	2.3
85.06540	2.8
91.05489	32.2
91.45633	1.0
93.07048	17.7
95.04971	32.0
95.08613	17.3
97.02891	4.3
97.06535	5.8
97.10178	7.0
99.08078	1.5
105.07040	25.2
107.04958	6.4
107.08596	13.8
109.06509	7.8
109.10162	13.2
111.04430	2.7
111.08088	14.6
113.06006	1.6
115.05458	3.4
117.07015	1.7
119.04920	1.2
119.08596	22.4
121.06509	2.0
121.10146	8.8
123.04420	1.6
123.08074	8.9
123.11711	2.4
125.09626	2.3
129.07014	11.7
131.08577	13.3
133.06541	2.9
133.10143	13.5
135.08067	1.4
135.11696	5.6
137.06055	1.4
137.09622	14.3
141.07008	1.4
142.07813	3.1
145.10103	2.2
147.08043	4.2
147.11687	15.2
149.09654	6.9
149.13304	1.6
151.11124	1.1
151.14774	1.4
153.07016	1.9
155.08578	3.8
157.10144	15.4
163.15010	1.1
165.07021	1.2
165.12752	3.0
167.07013	3.4
168.05763	2.5
169.10178	2.4
175.11212	13.5
175.14810	5.0
179.07068	3.1
181.10168	2.0
183.08107	1.5
183.11688	1.5
184.09715	1.5
189.94142	1.0
193.10435	1.6
193.12268	34.4
193.15874	3.2
196.05135	1.3
211.07643	5.5
211.11263	2.9
211.13283	16.5
211.14902	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	211.1119
Annotation	Lactaroviolin
Peak:m/z	Relative Intensity
55.01863	2.3
55.05515	3.6
56.96553	1.0
57.07048	0.7
62.77239	0.7
67.05518	3.1
69.03419	2.1
69.07060	1.8
70.94345	1.1
79.05476	1.7
80.05731	0.6
81.03430	3.8
81.07070	4.6
83.04963	1.5
83.08611	2.1
85.02892	2.8
91.05479	4.3
93.07040	1.7
95.04958	2.0
95.08601	3.2
98.37968	0.6
105.07034	5.9
107.04972	1.5
107.08588	2.0
109.06493	1.0
109.10160	2.5
115.05461	1.5
117.03310	0.7
119.08571	2.1
128.06212	3.4
129.07028	4.2
131.08583	0.7
133.10156	0.8
137.06044	0.7
137.09586	0.9
139.74344	0.8
141.06995	7.0
142.07784	19.3
143.08578	8.7
147.11691	1.5
152.06224	2.5
153.06996	25.7
154.07794	4.1
155.08568	48.8
157.10136	42.0
165.07022	10.1
166.07774	15.8
167.07140	0.8
167.08574	16.0
168.09354	53.7
169.10121	11.0
169.12283	0.7
175.11166	1.2
175.14801	1.2
178.06404	1.0
178.07787	22.2
179.08452	1.9
181.06532	17.8
181.10129	49.6
182.07262	1.4
182.10779	2.0
183.08089	2.0
183.11705	70.7
184.09747	1.6
184.11977	1.4
192.09447	1.3
193.10143	69.8
194.10468	1.3
195.08020	4.1
196.08856	21.4
211.11192	100.0
211.14737	3.0
212.11536	2.3
215.02853	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0967
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03941	2.5
55.01878	3.6
55.05517	10.2
57.03441	8.4
57.07075	1.1
59.04993	2.1
65.03941	2.0
66.04718	0.7
67.05509	14.5
68.99774	1.0
69.03436	4.2
69.07072	6.2
69.83118	2.1
70.06577	0.5
71.05003	3.0
79.05499	14.6
81.03423	18.1
81.07064	16.7
83.04987	12.0
83.08625	6.9
85.02905	0.9
85.06528	1.9
91.05492	18.7
93.07053	13.6
94.25602	0.4
95.04977	15.3
95.08616	11.3
97.02879	1.0
97.06536	6.4
97.10173	1.6
98.31235	0.5
99.04459	1.3
99.08105	2.6
99.28570	0.5
102.39929	0.5
103.05478	4.4
105.03398	1.1
105.04532	0.8
105.07041	22.2
107.04973	3.7
107.08608	8.0
108.05737	1.3
109.02869	1.7
109.06521	4.1
109.09464	0.8
109.10164	8.7
110.03690	2.3
111.04460	2.1
111.08085	5.5
113.05998	0.9
115.05463	1.1
117.07014	1.1
118.04184	4.5
119.04956	8.9
119.08598	7.8
120.05766	0.8
120.21983	0.5
121.02872	1.6
121.06522	4.5
121.10162	3.4
121.10886	0.6
122.07308	1.1
123.04440	56.2
123.08072	6.3
123.11724	4.1
125.05979	0.9
125.09638	2.7
129.07021	2.0
131.04961	1.0
131.08568	1.9
132.05717	0.5
133.06499	9.1
133.10146	7.3
135.04428	2.0
135.08052	2.8
135.11703	2.5
136.05214	1.1
137.05984	4.2
137.08699	0.5
137.09570	2.9
139.03825	0.5
139.11180	0.6
142.07794	1.3
146.03658	1.1
147.04434	5.5
147.08057	1.0
147.11719	6.8
148.05234	0.8
149.05978	4.8
149.09560	1.3
149.13266	0.8
150.06755	4.8
151.03954	4.2
151.07561	31.8
151.11154	4.0
151.14851	1.2
153.01826	0.9
153.06982	0.7
153.09059	0.6
153.12828	0.8
155.08521	1.3
157.10147	4.0
161.05980	1.8
161.07181	2.4
165.06990	0.6
165.09125	6.7
165.12767	3.2
167.07053	9.1
168.09346	0.6
169.10188	0.7
169.12256	2.3
175.11189	5.3
175.14804	2.7
178.06339	0.6
179.07048	100.0
180.07501	1.6
181.08635	1.4
181.10158	1.0
183.06537	1.1
183.11754	1.1
184.09770	1.2
193.08629	14.2
193.10321	0.8
193.12216	6.6
193.15947	2.7
196.08795	0.8
211.05861	0.7
211.07593	1.7
211.09657	12.6
211.11288	1.7
211.13307	4.0
211.14897	0.5
211.16840	2.4
212.16458	0.6
225.89618	0.5
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	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03930	1.4
55.01861	1.8
55.05506	2.1
57.03436	0.4
57.07066	0.5
59.05007	1.0
65.03934	1.2
67.05507	5.8
68.99783	1.1
69.03424	2.9
69.07050	1.5
69.47266	2.9
71.04987	1.4
77.03919	0.6
79.05502	6.1
81.03406	1.2
81.07056	3.6
83.04974	1.6
83.08623	1.2
83.94405	0.4
85.02918	0.9
85.06540	0.6
91.05486	9.7
93.07043	4.1
95.04974	8.5
95.08609	4.9
97.06524	1.2
97.10137	0.5
99.08093	1.4
103.05473	3.5
105.03397	1.0
105.04524	0.8
105.07036	11.2
107.04947	2.4
107.08617	2.7
108.05744	1.6
109.02879	1.1
109.06547	2.4
109.09462	0.7
109.10161	6.4
110.03642	1.9
111.04450	0.8
111.08091	1.1
115.05447	1.0
117.07062	0.4
118.04172	3.0
119.04949	7.3
119.08569	2.5
120.05717	0.6
121.02866	1.3
121.06503	2.1
121.10138	1.1
122.07304	0.9
123.04435	51.1
123.08065	5.5
123.11699	1.6
125.09637	4.9
133.06502	6.1
133.10138	2.7
134.07259	0.6
135.04404	1.1
135.08070	1.4
135.11700	3.0
136.05202	1.2
137.05977	2.6
137.09608	2.1
146.03665	0.5
147.04424	5.2
147.11685	0.8
148.05127	0.5
149.05968	4.2
150.06804	3.0
151.03958	3.9
151.07553	29.3
151.11145	1.2
151.14825	0.8
152.04662	0.6
153.09082	0.6
153.73497	0.4
155.10722	0.6
156.96448	0.4
157.78790	0.4
161.05945	0.7
161.07108	1.9
165.09122	3.5
165.16333	0.4
166.06245	0.7
167.07054	6.7
175.14815	2.1
178.06256	0.4
179.07043	100.0
180.07590	2.6
181.08578	1.9
184.09709	0.5
193.08624	8.4
193.12192	0.5
193.15912	1.7
211.07640	0.8
211.09648	11.5
211.11150	0.5
211.13258	1.0
211.16882	2.3
213.14481	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9407
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23991	100.0
75.11131	10.6
78.15489	11.0
84.28909	11.7
85.43320	11.8
94.93019	47.5
95.75417	10.7
96.92809	15.7
112.89601	66.2
119.39915	10.9
126.85841	10.9
128.77022	10.3
134.98206	38.0
143.16133	10.8
147.04419	11.0
152.95433	36.3
165.51698	11.4
171.34036	10.0
173.93440	11.0
183.47162	9.9
210.94102	30.0
210.99806	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	211.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	0.8
55.05529	2.0
56.20731	0.7
57.03442	100.0
58.03787	0.9
63.93428	0.9
67.05502	3.1
69.03438	1.5
69.07084	1.3
69.23416	0.7
69.96185	3.0
71.05002	0.8
79.05495	2.3
80.83668	0.8
81.03419	3.4
81.07061	3.6
83.04986	1.9
83.08627	2.2
91.05471	2.4
93.07038	2.6
93.74094	0.7
95.04980	1.5
95.08603	2.1
97.06531	0.8
105.07023	2.0
107.08621	1.6
109.10159	3.3
119.08607	2.7
121.06570	1.0
121.10141	1.3
123.04451	2.4
129.06992	0.9
133.10133	1.7
135.11751	2.1
137.09639	2.6
140.04623	1.3
147.11714	1.2
151.07549	1.0
151.11209	0.9
155.07089	1.3
167.07095	2.4
179.07057	2.8
193.08618	1.3
193.12294	2.6
211.07785	1.3
211.09619	7.1
211.15002	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.7
55.05506	1.3
55.93531	1.2
56.96579	8.6
57.03429	1.0
57.07074	0.7
60.04537	0.8
62.06084	0.8
64.75639	0.6
67.05494	1.6
68.05032	0.7
69.03423	2.0
69.07059	1.5
70.06596	1.6
70.53233	0.7
70.95866	0.8
71.05001	0.7
71.33565	0.7
71.49223	0.9
72.04517	1.7
73.02905	1.1
74.06064	1.0
79.05521	4.3
80.05016	1.8
81.03406	2.6
81.07042	1.5
83.04965	0.8
84.04494	0.9
84.08132	3.1
85.02893	1.2
91.05492	6.0
92.05786	0.8
93.07034	1.9
95.04977	2.2
95.08625	1.3
96.04481	0.8
97.02894	1.7
97.06527	1.0
98.97591	3.7
99.04460	1.0
103.05474	7.5
105.07040	8.2
107.04951	2.9
108.08129	1.0
109.02901	1.4
109.06496	1.7
110.06056	1.7
110.97623	1.1
112.07600	0.8
116.98585	1.7
117.05758	1.8
117.07061	3.3
118.06585	3.9
119.04978	0.9
119.07348	7.3
120.08111	8.9
121.06538	0.9
122.06033	1.5
123.04441	1.4
124.03970	17.3
124.07569	1.8
128.06198	1.4
129.07024	6.2
131.04964	2.0
131.07317	1.7
132.95801	0.9
136.06175	4.3
136.07597	1.2
137.05968	2.0
138.05553	1.2
138.09140	1.6
143.67529	0.8
146.06058	1.0
146.09662	6.9
147.04393	1.6
149.05954	1.0
150.05544	1.4
150.09134	0.9
158.99713	0.9
163.97791	0.9
164.07071	1.9
164.10728	100.0
165.00670	0.7
165.11079	1.3
166.08591	1.2
167.07008	1.1
168.10181	0.8
177.00618	1.0
179.03488	1.0
182.08147	1.4
186.99176	1.1
187.02809	1.6
189.04144	0.8
192.08795	10.7
192.10291	3.1
193.10905	1.2
205.00079	1.0
205.03796	1.4
205.05588	1.6
205.98837	1.3
210.07632	4.6
210.09749	2.9
210.11395	15.5
210.14984	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0763
Annotation	Penidilamine
Peak:m/z	Relative Intensity
50.37490	0.2
53.03940	0.2
55.05508	0.3
56.96578	0.3
67.05510	0.4
68.05033	0.2
69.03450	0.4
69.03951	0.2
69.07063	0.3
70.12084	0.2
70.99771	0.4
78.03451	1.3
79.05470	0.3
80.05025	4.7
81.03420	0.2
81.07053	0.2
91.05489	0.4
93.51424	0.1
95.04979	0.7
95.08660	0.2
96.00304	0.2
96.04498	2.3
103.86127	0.2
106.02927	0.3
118.61118	0.2
121.06502	0.2
121.10159	0.3
123.11691	0.2
124.03961	100.0
125.04288	0.6
136.07498	0.3
147.01372	0.3
147.04378	0.3
150.05484	0.5
164.10672	0.3
165.02448	0.9
182.08392	0.2
182.11713	0.2
192.06560	0.3
192.10022	0.2
193.01955	3.3
193.03667	0.2
200.28212	0.2
202.59155	0.2
210.02214	0.8
210.04764	1.0
210.07626	14.4
210.11203	0.8
210.14972	0.3
227.41632	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	2.6
54.05267	0.6
54.98611	0.6
55.01865	3.8
55.05514	5.7
57.03433	1.7
57.07080	4.3
65.03931	2.1
67.05506	11.0
69.03102	0.8
69.03425	4.3
69.07065	4.4
69.39637	4.6
71.05000	5.8
78.04702	1.2
79.05497	13.6
81.03434	1.6
81.07061	15.4
83.04986	4.9
83.08611	2.4
85.02911	1.1
85.06531	3.1
88.87517	0.7
91.05486	10.4
93.03405	1.8
93.07054	21.9
95.04977	8.7
95.08611	13.6
96.30840	0.7
97.02901	1.0
97.06537	3.8
98.21483	1.3
99.04425	3.5
101.06055	0.6
103.05477	1.3
105.07034	11.7
106.04181	3.1
107.04964	3.6
107.08601	24.0
109.06524	100.0
109.10165	10.9
111.04433	1.5
111.08096	2.2
113.05988	0.9
115.05454	1.2
116.06261	0.8
117.07030	4.6
119.08584	6.3
120.20461	0.6
121.06516	8.6
121.10159	10.0
123.08073	10.6
123.11700	1.1
125.05995	2.3
125.09621	1.2
130.07799	1.0
131.08588	7.2
133.06544	0.9
133.10143	4.7
135.08058	25.9
135.11682	9.0
137.06041	1.4
137.09625	1.3
139.03879	0.6
139.07524	1.1
139.11229	0.9
143.08583	1.7
145.10117	12.4
147.11719	1.5
148.05191	1.1
149.06000	5.9
149.09628	6.8
149.13203	3.0
150.10426	0.7
151.07570	1.5
151.11183	4.8
153.09105	3.7
158.10921	1.1
162.10707	0.6
163.07549	1.3
163.11180	17.9
165.12750	1.3
173.09656	1.5
173.13297	5.4
176.12106	0.7
177.05476	3.2
179.51843	0.6
181.08676	0.9
181.12422	0.7
191.07124	1.0
191.10712	5.1
191.14310	18.0
194.10797	0.8
209.04443	0.8
209.08061	1.6
209.09883	1.2
209.11646	3.5
209.15340	7.0
223.65085	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03952	0.5
55.01867	1.5
55.05518	3.0
56.96560	1.4
57.07076	4.2
65.03921	0.7
65.51190	0.6
67.05500	4.0
69.03405	0.9
69.07062	2.0
71.04987	2.4
71.50826	0.8
79.05495	4.2
81.03430	0.6
81.07064	6.6
83.04971	1.9
83.08631	0.7
85.02916	1.7
85.06569	0.8
91.05499	4.7
93.03400	0.9
93.07052	6.3
95.04966	2.9
95.08605	4.6
97.06533	1.1
99.04478	0.8
105.07025	6.5
106.04193	1.9
107.04985	1.1
107.08604	6.7
109.06522	100.0
109.10163	5.8
110.06853	1.0
111.08086	1.2
115.05365	0.5
117.07083	1.1
119.08588	1.7
121.06503	4.6
121.10123	4.3
123.08073	8.7
125.06025	0.6
131.08582	4.4
133.10149	2.5
135.08060	19.4
135.11687	1.3
139.45912	0.4
143.08476	0.7
145.10156	3.6
147.08089	0.7
147.11702	1.2
149.05962	2.0
149.09621	3.6
149.13275	1.9
150.10442	1.5
151.11191	2.1
153.09132	4.5
158.10963	0.6
163.11194	3.7
165.07098	0.7
166.07805	0.8
173.13266	4.3
177.05450	1.3
179.08585	0.5
181.10126	0.7
191.10706	1.5
191.14313	17.6
209.04466	1.3
209.09599	1.4
209.11559	0.8
209.13434	1.1
209.15352	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.02380	3.0
53.03951	13.8
55.01878	24.1
55.05269	2.9
55.05516	48.8
56.67059	1.9
57.03433	7.6
57.07074	9.0
58.17852	1.7
59.04991	4.3
64.61076	2.2
65.03950	16.3
67.05508	23.5
69.03433	12.5
69.07076	15.8
69.30856	9.5
69.31268	5.0
71.04990	13.2
75.04489	10.6
77.03906	3.0
78.04718	9.5
79.05488	26.6
81.03418	3.3
81.07063	39.1
82.06567	8.5
83.04986	54.2
83.08615	22.1
85.02919	11.1
85.06536	9.0
85.06979	2.0
89.03931	5.5
89.05991	2.5
91.05491	61.2
93.03410	26.5
93.07050	47.4
95.04975	68.9
95.08614	16.6
97.06535	26.3
97.10170	5.7
99.04449	15.7
100.11262	15.8
103.05482	24.7
105.04530	5.3
105.07032	26.1
106.04182	69.0
107.05006	10.9
107.08599	44.1
109.06528	100.0
109.10160	28.6
110.06064	4.3
111.04451	6.1
111.08099	10.4
114.89957	1.7
115.05494	2.8
117.03367	6.9
117.06996	7.6
119.04933	6.2
119.08620	9.6
121.06515	73.9
121.10150	34.7
123.04449	4.8
123.08066	20.3
123.11745	9.5
125.05984	20.2
125.09611	12.3
128.06183	2.2
131.04932	5.6
131.08592	14.2
133.02867	3.1
133.10146	27.3
134.03671	15.3
135.04430	5.1
135.08072	27.4
135.11728	11.5
137.06001	13.8
137.09608	5.3
138.06705	4.4
139.03920	4.9
139.07550	11.2
139.08578	2.4
139.11140	3.0
145.02856	5.7
145.10141	15.4
147.11783	4.3
148.05188	7.0
149.05998	82.6
149.09634	9.9
149.13245	17.5
151.03935	6.1
151.07547	5.7
151.11203	19.7
153.05504	6.6
153.07097	2.2
153.09119	37.4
158.10881	3.4
159.04456	3.1
162.06755	2.5
163.07542	6.0
163.11191	18.9
163.14816	6.6
165.06993	2.3
165.12750	2.2
167.07048	2.9
167.14328	23.3
173.09671	2.7
173.13283	15.4
177.05478	49.9
181.08630	16.2
182.15511	4.1
191.07034	11.9
191.10689	7.9
191.14334	28.4
194.05696	3.1
206.30112	2.1
209.04472	2.7
209.08046	25.5
209.09805	3.0
209.11795	8.2
209.13428	2.5
209.15262	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	3.8
55.01867	12.7
55.05523	23.8
57.03428	5.2
57.07064	8.2
59.05003	4.8
65.03928	10.0
67.05518	17.4
69.03427	14.5
69.07069	13.3
69.38971	20.6
71.04978	8.5
71.08627	3.1
75.04469	5.6
78.04699	7.2
79.05510	21.6
79.65111	2.4
81.07068	35.2
83.01323	6.0
83.04974	22.8
83.08604	6.5
85.02914	6.3
85.06539	9.4
90.09660	2.7
91.05485	51.2
93.03392	21.5
93.07047	64.5
95.04992	20.9
95.08610	30.9
97.06564	18.5
97.10142	3.1
99.04465	3.1
99.08100	6.9
103.05459	12.2
105.07034	25.4
106.03484	3.2
106.04185	52.6
107.04945	6.9
107.07879	5.1
107.08604	97.3
108.08887	2.9
109.06528	27.1
109.10172	26.2
110.94289	2.8
111.04442	6.2
111.08068	9.0
117.03367	4.2
117.07033	3.0
119.04942	3.6
119.08574	10.7
121.06522	60.9
121.10149	67.0
123.08073	18.3
123.11682	9.2
125.06017	12.4
125.09615	9.1
127.07533	3.2
131.04959	4.0
131.08578	8.5
133.06444	2.6
133.10139	26.4
134.03633	9.2
135.08049	17.4
135.11688	10.0
137.05975	4.7
137.09596	7.8
139.03938	4.3
139.07535	9.9
139.11192	8.1
145.02892	5.2
145.10110	10.4
147.11681	11.9
148.05150	5.5
149.05994	59.7
149.09625	12.4
149.13271	100.0
151.07584	2.9
151.11197	30.2
153.01846	3.8
153.05432	8.4
153.09129	21.2
163.03943	16.6
163.07570	5.5
163.11159	7.0
163.14871	15.2
165.12773	4.5
167.07021	3.5
167.10658	4.5
167.14320	6.1
173.13255	17.9
177.05470	24.4
178.77318	2.5
181.08607	11.2
191.03441	3.7
191.07100	3.9
191.10654	3.0
191.14322	43.3
209.04460	90.1
209.07867	13.6
209.11662	6.1
209.15347	47.5
214.76642	2.5
222.34589	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03949	4.1
55.01859	4.6
55.05510	19.7
55.40680	2.4
57.03426	5.1
57.07065	10.1
67.05508	19.9
69.03436	29.7
69.07063	17.2
69.83044	12.4
71.04979	8.8
79.05492	27.3
81.03396	2.8
81.07057	48.7
83.04991	38.1
83.08606	9.8
85.06544	15.9
91.05482	21.5
93.07052	47.4
95.04962	10.8
95.08607	43.9
97.06533	16.4
97.07052	2.8
98.20765	2.5
99.04449	6.8
99.08070	8.7
105.07041	30.1
107.08597	93.7
109.06521	21.6
109.10164	22.8
111.08039	8.5
119.08603	14.6
121.06503	11.9
121.09334	3.6
121.10143	53.5
123.08070	23.3
123.11712	7.1
125.09631	47.1
131.08556	26.3
133.09155	2.6
133.10143	44.4
135.08043	21.4
135.11699	10.1
137.09618	5.8
139.11201	13.8
145.10138	10.3
147.11673	13.3
149.09621	17.7
149.13278	45.5
151.11183	38.2
153.09128	11.8
158.10933	6.5
163.11169	9.8
163.14822	15.0
165.12743	10.8
167.10721	12.4
169.24176	2.7
173.13258	45.8
191.14317	100.0
200.81834	2.4
209.15384	96.4
222.09709	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03948	4.1
55.01872	4.5
55.05267	3.5
55.05516	50.1
57.03430	5.6
57.07073	5.5
59.04998	3.2
65.03944	2.6
67.05505	23.0
69.03431	9.0
69.06718	3.4
69.07069	30.1
70.95320	4.6
70.95670	2.8
71.05001	8.2
79.05494	17.6
81.07062	31.1
83.04978	44.4
83.08628	12.8
85.02883	2.8
85.06538	10.3
91.05494	17.7
93.07052	54.2
95.04970	24.5
95.08052	3.7
95.08615	35.6
97.06537	28.2
97.10151	2.7
99.04471	6.0
99.08102	6.6
105.07029	22.5
107.08604	100.0
109.06525	67.6
109.10155	39.2
111.08127	11.3
113.09672	5.0
115.05502	2.1
117.07005	3.4
119.08541	12.2
121.06527	8.6
121.10150	53.2
123.08074	13.6
123.11696	11.8
125.06007	2.2
125.09621	10.7
127.11177	4.6
131.08566	13.8
133.10136	36.5
135.08066	19.5
135.11710	8.7
137.09641	5.9
139.11224	6.7
142.65063	2.5
145.10141	7.6
147.11720	12.7
149.05997	5.5
149.09656	16.0
149.13268	73.5
151.11191	37.4
153.09111	15.3
158.10893	2.5
163.11227	4.7
163.14810	13.7
167.14316	15.7
173.13269	21.1
191.07108	2.2
191.10767	2.4
191.14326	35.7
202.10724	2.1
209.15370	47.4
209.17351	2.7
229.39682	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.80408	0.4
53.03947	1.8
54.48791	0.4
55.01874	4.8
55.05514	26.5
57.03448	1.2
57.07085	4.3
59.05003	1.1
65.03938	0.5
67.05509	14.8
69.03436	1.4
69.07070	4.6
70.43756	1.5
71.05006	1.4
76.83731	0.5
79.05494	11.9
81.07062	19.6
83.04984	100.0
83.08631	4.5
84.05315	0.7
85.02950	0.4
85.06547	2.4
87.04369	0.4
91.05498	7.4
93.07050	24.7
95.04952	3.0
95.08611	17.2
97.06535	1.6
97.10174	1.5
99.08113	0.7
103.05436	0.6
105.07040	3.2
107.04956	0.8
107.08598	17.3
107.09315	1.0
109.06538	2.9
109.10156	4.9
111.04434	1.3
111.08084	8.0
113.09652	0.4
117.07018	1.9
119.08573	1.7
121.06497	1.7
121.10152	11.7
123.08082	1.0
123.11710	1.5
125.05981	0.9
125.09624	2.4
131.08580	3.7
133.10123	1.9
135.08064	4.3
135.11726	2.8
137.09575	1.1
145.10172	2.1
147.11665	1.8
149.09647	2.9
149.13269	9.8
153.05498	0.5
153.09085	2.2
163.07510	0.5
163.11159	1.6
163.14828	7.8
165.06923	0.5
165.12732	0.9
166.07796	1.3
167.14276	0.6
173.13264	3.7
177.05453	0.7
179.08560	1.9
181.10098	1.5
181.15880	1.0
191.10622	0.6
191.14299	4.8
194.10852	1.5
194.12732	0.5
200.77065	0.5
209.04321	0.8
209.07877	0.8
209.09590	3.3
209.11484	1.0
209.13257	2.8
209.15334	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.77702	1.2
52.90323	1.1
53.03937	5.3
55.01881	7.5
55.05515	20.3
55.72165	1.4
57.03435	2.2
57.07071	4.1
59.05001	2.3
65.03950	6.7
67.05503	10.1
69.03435	6.7
69.07065	7.3
70.79193	2.6
70.79533	2.5
71.04990	9.1
74.76634	1.2
75.04465	5.8
78.04707	6.0
78.32313	1.1
79.05497	13.0
81.03427	1.5
81.07056	15.2
83.04988	24.7
83.08625	9.6
85.02918	6.7
85.06551	5.5
89.03920	3.0
89.24995	1.2
91.05495	23.7
93.03405	11.9
93.07050	27.6
95.04978	22.5
95.08623	10.6
97.06548	10.9
97.10175	2.2
99.04455	14.3
99.08102	2.2
103.05464	9.8
105.04516	3.0
105.07030	12.2
105.32040	1.3
106.04189	27.0
107.04947	3.5
107.08601	29.0
108.05785	1.4
109.06525	100.0
109.10146	12.2
111.04452	2.7
111.08095	7.7
111.18140	1.2
117.03352	2.2
117.06984	2.8
119.04893	2.3
119.08600	6.2
121.05657	2.6
121.06512	34.3
121.10149	16.3
123.04376	2.2
123.08104	10.1
123.11732	4.2
124.05228	1.4
125.06022	10.3
125.09650	6.9
131.04929	3.7
131.08586	7.1
133.10143	16.1
134.03639	4.1
135.04463	1.4
135.08047	9.5
135.11681	3.7
137.05981	5.6
137.09581	2.5
138.06786	1.5
139.03877	2.8
139.07561	3.0
139.11198	1.9
143.08492	1.7
144.31270	1.3
145.10126	7.3
147.11673	2.8
148.05188	5.7
149.06000	37.3
149.09616	6.3
149.13268	20.7
151.03874	3.0
151.07549	3.6
151.11180	18.7
153.05449	3.6
153.09120	22.8
158.10948	1.4
163.07568	3.6
163.11200	5.0
163.14868	4.2
165.05502	1.7
166.06186	2.1
167.14326	16.0
173.13263	9.2
177.05478	17.1
181.08623	9.2
191.07062	4.7
191.10678	4.2
191.14314	14.2
209.08131	12.1
209.11761	3.6
209.15367	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03946	3.5
55.01854	6.0
55.05515	16.1
57.03422	2.9
57.07060	5.2
59.04992	4.5
65.03932	3.3
67.05513	16.0
68.25745	1.4
69.03144	1.4
69.03436	15.1
69.07072	19.7
70.57187	4.6
71.04993	12.9
77.03921	1.6
78.04704	3.0
79.05500	13.8
80.70290	1.3
81.03416	3.3
81.07059	23.2
83.04983	28.2
83.08613	8.2
85.02895	3.9
85.06541	7.4
91.05486	18.5
93.03412	5.6
93.07050	37.5
95.04979	12.7
95.08612	42.6
97.06541	15.5
97.09337	1.4
97.10131	1.9
99.04449	4.8
99.08080	6.0
103.05463	4.7
105.04507	2.4
105.07038	16.9
106.04183	16.2
107.04961	3.0
107.07879	3.0
107.08603	60.1
109.06522	38.2
109.10167	21.2
111.04436	4.1
111.08086	14.9
113.06017	3.0
113.09587	2.3
117.03409	2.2
117.07006	4.2
118.96732	1.5
119.08590	7.8
121.05675	2.1
121.06516	28.1
121.10146	40.1
123.08072	10.6
123.11707	6.8
125.05994	5.6
125.09649	15.0
127.07587	2.2
131.04921	2.9
131.08582	8.6
133.10139	34.2
134.03665	2.5
135.08070	15.4
135.10701	2.2
135.11700	35.2
137.06015	2.9
137.09610	4.9
139.07545	4.4
139.11168	5.5
143.08531	2.4
145.10104	6.2
147.08035	1.6
147.11682	12.3
148.25865	1.3
149.05992	20.1
149.09634	19.3
149.12184	2.4
149.13266	27.1
151.11192	100.0
153.09120	17.2
158.10962	4.8
163.11208	4.0
163.14835	21.2
165.56886	1.6
167.10716	5.7
167.14273	2.0
173.13286	20.7
177.05536	13.2
181.08618	3.7
191.07047	4.0
191.10710	2.6
191.14311	62.2
209.04521	3.0
209.08057	7.7
209.11789	2.8
209.13477	3.1
209.15379	47.6
209.17393	2.4
224.89142	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.33738	1.7
53.03952	7.1
55.01879	15.4
55.05515	42.3
55.68356	1.6
57.03445	3.9
57.07067	5.1
59.05001	5.7
65.03942	4.2
67.05511	24.6
69.03436	23.0
69.07076	23.5
70.50782	3.9
71.04990	14.5
75.76374	1.7
77.03921	3.6
78.04736	2.0
79.05495	22.7
81.03399	2.4
81.07063	30.0
83.04490	3.5
83.04987	63.7
83.08624	21.3
85.06557	7.1
89.03947	1.7
91.05480	25.2
93.03403	2.1
93.07047	43.8
95.04964	14.6
95.08618	37.8
95.60555	1.6
97.06543	18.3
97.10172	4.3
97.49077	2.0
99.04456	6.8
99.08109	4.6
103.05471	7.8
105.07040	31.1
106.04155	9.5
107.04921	8.3
107.08606	78.6
109.06523	28.6
109.10163	30.8
110.42927	1.6
111.08092	15.0
113.06017	2.5
113.09624	2.6
117.03421	2.6
117.07040	8.9
119.06108	1.9
119.08577	13.7
121.06509	30.7
121.10138	40.1
123.08077	9.1
123.11703	10.4
125.05988	4.9
125.09631	13.8
130.07791	3.2
131.04901	2.3
131.08606	9.8
133.10138	32.5
134.03671	3.3
135.08054	24.8
135.11705	22.0
137.06029	2.7
137.09639	5.0
139.07553	1.9
139.11203	4.6
145.02814	2.4
145.10138	25.0
147.11682	10.6
148.05179	2.7
149.06015	17.2
149.09618	23.2
149.13260	22.1
151.11191	100.0
153.05467	4.9
153.07076	1.8
153.09128	9.3
153.12744	1.7
158.10922	4.3
163.03976	2.6
163.07591	3.0
163.11194	39.8
163.14819	12.0
167.10722	3.7
167.14331	35.6
173.09663	4.6
173.13261	17.5
177.05502	13.3
181.08594	2.1
191.07022	4.0
191.10701	13.2
191.14311	52.5
192.14571	1.9
194.10988	1.6
205.97833	1.6
209.04607	3.7
209.08080	9.1
209.11842	10.8
209.15364	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03947	3.7
55.01872	21.2
55.05512	28.4
57.06832	3.4
57.07081	36.0
59.04987	3.1
65.03937	3.9
67.05510	27.3
68.99786	5.5
69.03413	11.2
69.06730	3.7
69.07074	37.6
70.84279	8.1
71.04999	15.4
79.05500	28.2
80.34267	2.8
81.03414	5.6
81.07066	39.8
83.01337	4.1
83.04984	24.8
83.08614	24.9
85.06544	40.3
91.05482	27.1
92.54653	2.6
93.03367	3.3
93.07047	51.2
95.04965	19.5
95.08616	40.0
97.06532	30.6
99.04467	5.7
99.08087	15.9
103.05486	6.5
105.07041	37.5
107.04954	10.9
107.08604	64.7
109.02866	11.5
109.06525	63.9
109.09467	4.5
109.10165	52.6
111.04453	26.8
111.08086	10.8
113.09659	6.5
117.06989	7.2
117.95959	4.4
118.96700	2.6
119.05962	2.8
119.08575	12.6
121.06491	12.0
121.10171	39.5
123.08086	22.4
123.11715	15.9
125.06008	16.3
125.09641	15.2
129.06952	3.8
131.04938	3.4
131.08594	21.6
133.10141	100.0
135.04434	3.8
135.08052	23.3
135.11658	7.8
137.05864	3.2
137.09650	6.0
139.11188	3.4
143.08577	5.4
145.10104	13.2
147.08023	3.6
147.11697	10.1
149.05940	7.9
149.09668	15.6
149.13269	36.6
151.11189	84.0
152.06184	3.8
153.05466	13.2
153.06990	7.1
153.09111	16.1
158.10951	7.5
163.07516	7.4
163.11179	16.0
163.14851	8.0
165.06964	12.9
166.07797	10.2
167.07124	3.3
167.08493	6.1
167.14326	10.6
173.13271	45.1
177.05484	11.4
179.08569	15.4
180.09329	5.6
181.08705	3.5
181.10106	13.4
181.12199	16.5
191.06857	3.0
191.08316	3.3
191.10645	15.5
191.14313	41.5
192.06557	3.1
194.10838	9.5
199.44357	2.8
209.04370	10.2
209.06041	18.5
209.08075	5.2
209.09619	27.0
209.11720	44.6
209.13333	19.4
209.15266	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03932	1.9
55.01871	1.8
55.05513	34.7
57.03412	2.3
59.04990	2.5
60.78486	1.2
65.03928	2.2
67.05505	9.5
69.03436	5.7
69.07060	5.3
70.06915	5.1
71.04992	6.3
79.05487	7.9
81.03401	3.1
81.07055	12.1
83.04987	37.1
83.08623	19.3
85.06532	2.3
88.02460	1.1
91.05467	4.9
93.03382	1.7
93.07047	11.3
95.04971	100.0
95.08598	6.8
96.05270	1.5
97.06535	10.7
97.10158	3.9
99.04457	20.6
99.08104	2.4
100.87196	1.0
103.05482	1.7
103.63966	1.2
105.07030	5.3
106.04195	1.8
107.04971	1.9
107.08600	18.1
109.05803	2.0
109.06519	32.2
109.10152	10.5
111.08090	5.8
119.08571	4.4
121.06501	5.2
121.10142	9.3
123.08068	4.6
123.11709	6.6
124.63221	1.1
125.05948	2.1
125.09628	7.3
131.08560	3.1
133.10152	10.2
135.04413	1.1
135.08089	5.8
135.11671	1.5
145.02888	1.1
145.10098	2.0
147.11674	3.8
149.05962	5.0
149.09616	5.1
149.13275	6.7
151.11180	23.8
153.07927	1.8
153.09114	28.4
163.11264	2.5
163.14754	1.4
165.12753	15.3
167.14322	31.8
173.13255	5.5
177.05484	2.7
191.10728	1.8
191.14331	10.2
209.04427	2.3
209.08080	3.2
209.11818	1.9
209.13499	2.3
209.15381	31.2
218.52818	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.02388	0.9
53.03940	2.7
55.01883	4.7
55.05515	9.1
57.03428	3.4
57.07077	3.6
59.04994	3.1
61.20766	0.7
63.25097	0.7
65.03938	4.8
67.05506	10.5
67.76650	0.9
69.03419	2.2
69.07072	8.8
71.05000	5.9
71.41489	1.4
73.27657	0.7
75.04475	2.9
77.03919	1.0
78.04710	3.1
79.05496	20.0
81.03423	1.5
81.07061	34.6
83.01321	1.0
83.04986	8.2
83.08626	7.2
83.82288	0.8
85.02907	2.8
85.06545	3.5
89.03934	1.2
91.05488	22.9
93.03417	7.9
93.06481	1.6
93.07049	23.8
95.04974	44.3
95.08611	12.0
97.06538	22.1
97.10150	1.1
98.97568	1.2
99.04465	8.9
99.08105	2.4
103.05462	5.6
104.13464	0.8
105.04491	1.6
105.07040	16.4
106.04182	19.9
107.04949	3.0
107.08601	24.4
109.02811	0.9
109.06522	100.0
109.10159	23.4
109.22544	0.8
111.04467	2.3
111.08081	6.7
113.06032	1.1
113.09662	1.6
116.06237	0.8
117.03409	2.4
117.07032	3.9
119.04922	0.8
119.08581	6.4
120.05694	0.9
121.06516	25.5
121.10150	26.8
123.04427	1.5
123.08071	9.1
123.11679	4.1
123.51215	0.7
125.06032	5.6
125.09624	4.2
129.07068	0.9
131.04938	1.6
131.08588	12.7
133.06494	1.5
133.10138	38.1
134.03659	2.8
135.04398	0.9
135.07118	1.5
135.08060	16.7
135.11731	4.7
137.05971	2.9
137.09605	2.7
138.06747	1.2
139.03940	1.2
139.07561	2.9
139.11205	1.6
143.08604	1.6
145.02866	1.8
145.10107	5.6
147.04437	0.9
147.08127	1.5
147.11668	4.6
148.05214	2.6
149.05991	25.6
149.09627	8.0
149.13275	8.6
151.07574	1.3
151.11201	7.1
151.13083	1.1
153.05414	1.6
153.09113	27.2
158.10922	3.2
158.99646	1.0
163.07559	2.7
163.11195	6.4
163.14819	5.0
165.12820	0.9
166.06206	1.0
167.07010	1.0
167.14275	3.8
173.13280	18.5
177.05458	11.2
181.08615	5.1
185.50568	0.7
191.07043	2.3
191.10718	4.2
191.14320	21.6
209.04446	1.5
209.08086	6.0
209.11751	3.0
209.13629	0.8
209.15350	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.36549	1.5
52.39252	1.2
53.03930	2.1
55.01859	4.1
55.05511	17.4
57.03418	2.7
57.07095	2.7
60.47536	1.2
65.03938	1.4
67.05510	14.5
67.76655	1.3
68.62251	1.2
69.03134	1.2
69.03434	13.4
69.07069	10.8
70.40282	4.5
71.05007	7.4
71.22527	1.3
77.03928	1.5
78.04699	1.5
79.05486	12.7
81.03398	1.8
81.06596	1.8
81.07063	26.1
82.91283	1.2
83.04982	19.4
83.08598	4.0
84.60635	1.2
85.06547	6.7
91.04977	1.6
91.05489	15.0
93.07047	31.1
95.04977	11.9
95.08611	21.2
97.06539	10.0
97.10152	1.4
99.04441	3.7
99.08112	6.5
103.05459	2.6
105.07030	19.0
106.91183	1.3
107.04947	11.8
107.08600	54.0
108.22552	1.3
109.06527	17.3
109.10156	14.7
110.03705	2.0
111.08058	4.5
117.06993	3.1
119.08579	11.4
121.02853	2.4
121.06518	12.6
121.10146	36.0
123.04434	1.6
123.08070	13.5
123.11710	4.2
125.06022	1.8
125.09619	6.2
131.08575	15.7
133.10135	31.0
135.04448	7.1
135.08040	12.0
135.11678	4.6
137.09561	4.7
138.03104	3.6
139.07529	2.7
139.11172	9.3
145.10132	5.8
147.11699	7.6
148.05182	1.9
149.02336	21.3
149.06003	1.7
149.09616	13.2
149.13263	27.8
151.07428	2.0
151.11188	19.7
152.04672	1.4
153.05492	9.5
153.09059	7.7
161.13268	2.1
163.03903	12.5
163.07631	1.4
163.11156	3.9
163.14825	13.2
165.08960	1.2
165.12752	2.0
166.02582	9.0
167.07008	9.0
167.10648	3.3
167.14378	2.8
173.09717	1.7
173.13278	18.0
177.05434	2.7
181.04961	5.0
184.86293	1.3
191.10695	4.0
191.14336	22.7
194.02112	20.0
207.57144	1.2
209.04454	100.0
209.08026	4.5
209.11792	3.3
209.15363	28.4
210.04820	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03932	3.4
55.01862	5.9
55.05270	2.4
55.05514	39.9
56.04508	1.8
57.03423	5.5
57.07067	6.3
59.04992	3.3
62.09548	1.8
67.05199	2.2
67.05503	16.6
69.03430	98.0
69.07079	14.1
70.80730	2.5
70.81050	4.4
71.04979	9.0
79.05495	21.8
81.06602	2.3
81.07062	40.4
83.04495	2.6
83.04987	50.6
83.08612	24.0
85.02898	2.7
85.06532	6.5
91.05482	18.9
93.07050	35.4
95.04377	4.2
95.04969	68.5
95.08608	21.3
97.06535	20.0
97.10146	4.7
99.04456	14.9
99.08064	2.2
103.05466	4.3
103.64977	2.0
105.07035	16.6
106.04187	3.4
107.04996	4.1
107.07876	3.0
107.08593	39.6
109.06519	100.0
109.09450	3.6
109.10149	30.2
111.04446	2.5
111.08083	11.7
117.07004	3.8
119.08570	8.2
120.07990	1.9
121.06489	9.4
121.09335	3.9
121.10149	52.4
123.08073	19.3
123.11704	17.5
124.03967	2.0
125.05972	2.9
125.09652	11.3
131.04944	3.2
131.08556	11.2
133.10149	28.6
135.08064	19.0
135.11707	8.6
137.05966	3.0
137.09587	2.4
140.33315	1.9
145.10080	7.1
147.11690	5.4
148.05211	3.1
149.05980	9.2
149.09618	10.7
149.13260	12.2
149.28493	2.2
151.11211	23.3
153.09108	31.8
158.10944	3.5
163.07607	3.9
163.08679	10.0
163.11223	4.4
163.14812	9.6
165.09064	2.5
167.07083	8.7
167.14323	32.1
167.96494	2.0
173.13274	18.0
177.05487	5.3
191.10657	6.3
191.14334	29.9
209.04471	5.8
209.07799	10.7
209.11630	4.9
209.15350	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03951	6.9
55.01883	12.5
55.05514	17.6
57.03439	3.9
57.07071	4.0
57.38937	1.2
65.03942	4.0
67.05508	28.8
69.03430	27.7
69.07072	9.1
69.47662	7.5
70.75311	1.2
71.04996	11.4
76.25499	1.2
78.04711	1.8
78.60731	1.2
79.05496	42.8
81.03419	5.0
81.07061	34.9
83.04987	13.0
83.08629	4.6
85.06548	15.2
87.04465	1.2
90.59850	1.3
91.05484	29.6
93.03430	1.8
93.07050	74.6
95.04981	24.6
95.08612	12.7
97.06549	12.8
99.04451	12.8
100.11269	3.7
101.06023	2.6
103.05456	4.3
105.07041	48.0
106.04212	6.2
107.04967	8.8
107.08602	100.0
109.06525	30.5
109.10168	4.7
109.18224	1.2
109.69119	1.2
111.04458	4.4
111.08089	3.6
113.06040	7.3
115.05444	2.9
117.07014	10.3
119.05063	1.4
119.08590	20.7
121.05663	2.7
121.06512	39.5
121.10146	37.6
123.08070	6.9
123.11749	2.5
124.88979	1.2
125.06007	3.7
125.09647	2.4
129.06979	1.7
129.10899	1.3
130.07771	6.9
131.04918	2.4
131.08574	7.8
133.10164	7.1
135.08060	21.2
135.11707	22.8
135.76018	1.2
137.06001	2.4
137.09608	4.7
139.07576	2.4
143.08653	1.5
145.10133	48.1
147.11697	4.4
148.08842	2.0
149.05986	8.8
149.09639	23.2
149.13287	3.9
151.07562	4.3
151.11185	3.1
153.09135	3.7
153.12730	2.1
158.07310	1.6
163.03967	1.4
163.11192	98.4
164.11537	1.9
165.12756	14.7
167.10687	1.8
173.09636	13.1
173.13257	2.6
177.05498	3.5
179.08401	1.5
181.12263	3.0
182.15413	1.6
191.07086	1.7
191.10675	24.6
191.14264	6.8
199.44971	1.4
209.04477	4.3
209.08066	4.9
209.11731	22.0
209.13643	2.5
209.15262	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	209.0963
Annotation	1-Methoxyphenanthrene
Peak:m/z	Relative Intensity
55.01879	0.7
55.05522	0.5
63.23288	0.4
67.05506	0.9
69.07074	0.5
69.83633	1.6
69.84048	0.6
73.93762	0.4
74.03915	0.4
79.05506	0.9
81.07068	0.8
83.04981	0.8
91.05495	1.0
93.07063	0.9
95.04939	0.5
95.08622	1.1
97.06575	0.5
103.05466	0.9
107.08587	1.4
109.06515	1.1
115.05504	0.3
117.07001	0.6
121.06528	0.9
121.10170	0.7
123.09230	0.7
135.08078	0.9
135.11726	0.6
141.06993	4.8
152.06218	1.3
153.06995	7.5
153.08968	0.6
155.08533	0.6
160.50034	0.4
165.07010	45.9
166.07793	65.5
167.08212	2.4
177.05417	0.6
178.07764	0.6
179.08551	3.7
179.42596	0.4
180.09341	0.9
181.10129	75.6
182.10460	1.8
183.08020	0.7
189.07001	1.1
190.07813	1.2
191.07016	0.5
191.08582	1.7
191.14365	0.8
193.06364	0.5
194.07285	9.6
194.10829	0.6
207.07935	0.4
208.08926	0.7
209.09624	100.0
210.09900	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0809
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03946	14.0
55.01875	88.5
55.05513	65.2
57.03436	8.7
57.07081	4.0
59.05009	2.7
61.60331	2.9
65.03946	15.0
67.05502	24.8
69.03428	11.4
69.07080	11.9
70.54580	8.1
71.04983	8.2
75.04477	3.9
76.20362	3.5
77.03929	3.7
78.04710	13.2
78.29697	2.5
79.05503	25.3
81.03434	9.6
81.07052	24.1
82.06590	28.5
83.04983	15.9
83.08621	37.6
84.08147	3.3
85.02917	8.2
85.06543	8.2
89.03934	14.2
91.05495	70.6
91.06081	3.7
93.03419	19.9
93.07046	52.4
95.04980	43.3
95.08614	22.9
97.06529	16.4
98.20920	4.1
99.04509	5.3
100.07629	3.7
100.11265	74.0
103.05473	43.1
105.03412	6.6
105.04561	5.1
105.07021	15.0
106.04178	57.7
107.04971	19.7
107.08601	34.7
109.06530	49.7
109.10154	16.0
110.03697	3.5
110.06062	12.1
111.04431	13.8
111.08073	6.6
117.03384	24.1
117.07018	4.1
118.04176	6.8
119.04939	16.0
119.08613	7.8
120.05719	5.5
121.06517	93.0
121.10143	21.4
123.04446	5.4
123.08078	17.0
123.11731	5.2
125.06016	17.4
125.09643	5.9
127.08713	4.1
128.07109	5.7
131.04926	20.3
131.08562	7.9
132.36572	2.8
133.02887	4.0
133.06454	7.0
133.10133	9.0
134.03658	22.1
135.04430	8.8
135.08084	16.1
135.11722	10.2
137.05992	12.7
137.09625	5.0
138.03122	8.2
138.06842	3.2
139.03922	6.0
139.07631	5.2
139.08684	12.7
145.02864	37.1
145.10136	12.2
147.04408	11.4
147.11711	6.7
148.05193	17.9
149.02333	5.7
149.05995	100.0
149.09589	15.1
149.13277	13.2
151.03908	8.3
151.07553	7.1
151.11195	12.9
153.05498	17.1
153.09117	25.8
159.04362	3.1
163.03906	7.9
163.07571	22.7
163.11191	11.8
163.14897	5.2
164.04739	4.7
165.12735	23.2
166.06303	8.2
167.10631	4.2
167.14281	6.1
170.46979	2.9
173.13274	8.9
176.04738	8.6
177.05475	100.0
179.07074	3.4
179.08539	3.2
181.05084	3.8
181.06519	2.9
181.08630	20.8
182.15417	19.1
191.07063	44.6
191.10652	5.8
191.14322	15.2
193.05061	4.3
194.02130	4.4
194.05730	7.9
194.10837	3.5
209.04413	23.7
209.08078	61.6
209.09915	4.9
209.11700	9.2
209.15356	25.0
209.16736	12.4
210.14908	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	208.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57719	0.7
51.57967	0.6
53.04005	1.0
55.01947	2.3
55.05568	1.5
56.05112	0.8
56.96647	5.9
57.03497	1.7
58.06656	1.3
58.99947	3.9
61.03006	2.0
65.04006	1.0
65.92703	0.7
66.92801	1.1
67.05569	1.5
67.92572	1.6
68.98342	1.3
69.03514	2.8
69.07122	1.1
70.06678	2.8
71.05046	1.2
71.49330	1.0
71.82085	0.7
72.04630	0.7
72.08227	1.6
73.03005	3.0
74.06126	0.7
77.00988	1.9
79.05547	1.0
80.95029	1.3
81.03513	4.4
81.07129	1.3
81.95086	3.2
82.01523	1.3
82.06640	0.8
82.94867	4.4
82.99940	0.8
83.05021	0.9
84.04578	1.4
84.07766	0.6
84.08227	2.8
85.02920	3.5
86.03291	0.7
86.03767	0.8
86.06127	1.0
86.09773	1.1
86.99429	2.3
91.02512	0.9
91.05541	1.0
93.07114	1.3
95.05044	1.3
96.08189	0.7
97.01456	1.3
97.02895	3.3
98.97576	5.0
100.00168	1.5
100.02483	4.0
100.07662	0.8
100.76036	0.6
101.00890	6.6
101.02599	1.6
102.05631	1.3
103.00679	1.1
103.02525	2.3
105.00441	1.1
106.00451	0.9
109.02955	2.6
109.06600	1.2
110.01461	0.7
110.97617	1.0
113.00891	3.9
115.00694	0.8
115.02431	4.4
116.98706	2.4
117.02266	0.9
117.04021	1.2
118.01207	2.5
118.03535	1.2
119.01114	0.8
119.01932	12.1
119.02689	0.9
119.04969	0.8
120.02111	2.5
120.08163	1.5
120.08978	0.8
121.01711	2.0
121.97699	0.8
122.97691	4.4
123.03008	1.5
123.97464	4.5
124.93960	0.8
125.00886	0.8
125.94068	1.1
126.04059	0.8
126.93862	1.5
127.02481	1.0
127.04012	0.9
128.98691	0.9
129.02029	0.8
129.04057	2.4
129.10304	1.0
129.67303	0.8
131.01912	14.9
132.01993	1.2
133.01724	1.2
133.03491	3.4
134.03619	0.8
134.99832	0.9
136.06261	1.5
137.02982	1.6
137.05930	3.2
139.02402	4.2
141.03969	8.4
142.03706	0.7
143.01941	4.3
143.95148	2.5
144.00938	1.1
144.01982	1.4
144.05113	1.3
144.94904	2.0
145.03473	7.0
146.11824	1.7
147.01414	0.9
147.05116	1.5
148.06209	1.0
148.07506	0.8
149.00946	1.3
149.03008	2.2
150.05537	3.6
152.05753	1.3
154.03531	0.8
155.01955	2.9
157.01672	0.9
157.03470	21.5
159.03165	0.8
159.03537	0.8
159.05023	12.6
160.96092	1.2
161.02954	6.4
161.96190	3.7
162.03082	9.7
162.09271	1.6
162.95946	3.1
163.02692	1.8
164.05658	1.0
165.02200	0.7
166.04982	1.0
166.95474	0.8
166.96654	3.7
167.01904	13.9
167.96420	4.2
168.05060	1.0
173.01329	1.2
173.02971	4.4
174.03152	0.8
175.03104	0.8
175.04507	4.0
177.00719	0.8
177.06090	2.4
180.03952	0.8
180.05270	1.3
182.06638	2.4
183.97633	1.0
184.04575	2.7
184.97746	6.1
185.02983	100.0
185.04742	7.5
185.06563	3.3
185.97543	4.6
186.03134	2.9
186.06171	2.6
190.03476	2.4
196.04506	0.6
197.02953	1.3
199.04445	0.8
200.07762	1.2
202.96931	0.8
203.00452	1.2
203.02266	2.7
203.04015	34.9
203.05690	1.7
203.07751	2.2
204.04187	0.9
204.07256	1.4
208.04541	28.3
208.08185	2.6
208.09778	2.5
208.13383	1.5
208.15375	3.9
221.05022	2.1
226.05618	4.9
227.03871	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09554	0.3
56.96564	0.4
57.07096	0.3
58.99858	1.7
59.48652	0.2
66.08851	0.3
68.98297	0.5
69.35776	1.9
69.67991	0.3
71.69019	0.2
77.00932	0.7
80.05032	0.5
81.03416	1.8
85.01424	0.5
86.99346	0.3
97.01388	0.3
98.97588	1.0
100.00137	0.4
100.02489	0.7
101.00891	1.0
102.01021	0.3
103.00610	0.4
103.02448	0.7
105.00404	0.4
108.04488	0.4
109.02895	1.8
113.00877	1.0
115.02428	1.3
116.98627	0.9
117.04048	0.2
118.01174	0.6
119.01939	4.1
119.03680	0.3
120.02065	0.8
121.01665	1.5
121.03513	0.3
122.97723	0.3
127.02432	0.4
129.03987	1.6
131.01897	2.9
133.03496	0.9
134.03636	0.3
134.99707	0.8
137.02980	0.9
139.02412	2.1
141.03940	1.8
142.03482	0.4
143.01921	0.8
143.03743	0.4
144.02168	0.5
144.03252	1.8
145.03479	0.9
146.99791	1.1
147.05026	0.8
148.99672	0.5
149.00754	1.5
149.02925	0.4
154.03558	0.3
155.01923	0.3
156.00307	0.7
157.03471	8.1
159.01451	0.4
159.05045	2.2
161.02994	1.3
162.03104	2.9
162.04379	0.5
163.02676	0.7
166.96680	0.3
167.01884	9.4
168.02042	0.3
173.02965	0.9
175.03056	0.3
175.04552	1.7
177.00960	1.0
177.06145	0.6
180.05174	0.8
182.06668	0.7
184.04640	1.0
185.02965	100.0
185.06516	2.0
186.03098	2.7
187.03358	0.5
190.03479	2.9
191.03990	0.3
191.99556	0.6
196.04665	0.4
199.04489	0.3
202.05690	0.3
203.02232	2.2
203.04007	23.4
203.07683	1.4
204.04147	0.6
208.04562	25.5
208.09676	0.7
209.04735	0.9
210.54051	0.3
221.03235	0.5
221.05055	1.3
226.05714	2.7
226.09274	0.3
227.03864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1745
Annotation	alpha-Irone
Peak:m/z	Relative Intensity
53.03961	0.8
54.92117	0.4
54.93628	0.5
55.01884	1.1
55.05519	4.7
55.68307	0.5
57.03445	0.5
57.07070	2.0
57.93521	0.4
64.69997	0.5
65.03941	0.5
66.70685	0.4
67.05142	0.7
67.05504	8.3
68.73700	0.5
69.03442	2.0
69.06725	0.9
69.07071	9.6
70.30819	1.4
71.04994	0.7
72.59123	0.5
77.27319	0.5
77.70911	0.6
78.28643	0.4
79.05494	4.1
81.03423	1.1
81.07063	16.2
83.04989	15.5
83.08634	1.7
85.06541	0.6
91.05485	7.4
93.07050	9.9
95.04999	2.7
95.08611	17.6
97.06532	4.1
97.10200	0.8
105.07037	13.6
106.07395	0.5
107.04988	0.5
107.08607	8.9
109.06533	4.9
109.10150	6.2
111.08090	1.5
111.11731	1.1
115.96457	3.3
116.97246	1.0
117.07040	0.5
119.04916	0.9
119.08586	8.2
121.02795	0.6
121.06507	1.2
121.10141	5.0
123.08075	100.0
123.11673	2.9
124.08433	1.2
125.09658	0.5
131.08609	1.1
133.10144	14.8
133.97476	1.1
135.11717	2.8
135.43376	0.5
137.05937	0.5
137.09612	2.1
137.13257	4.8
145.10239	0.6
147.04431	0.7
147.11697	10.3
149.09616	1.9
149.13271	4.3
151.07552	1.2
151.11198	7.8
161.09610	1.2
161.13287	5.5
163.03902	1.1
163.14806	1.8
164.12001	0.9
165.05551	0.5
165.12762	1.9
171.11661	0.6
178.07614	0.6
189.09109	0.8
189.12750	1.5
189.16396	13.3
191.08508	0.8
192.09349	2.0
207.06485	2.7
207.09966	0.7
207.11713	2.7
207.14091	3.4
207.17451	39.7
208.17812	1.3
220.56885	0.5
228.34364	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31211	3.2
55.01854	2.9
56.96576	12.6
61.02925	3.3
69.81344	15.6
73.02885	4.8
73.53126	2.7
77.00927	3.4
81.03415	5.3
81.95083	6.4
82.94878	2.9
85.02914	2.9
92.47621	2.9
98.21487	6.0
98.97599	25.0
101.00898	4.1
102.05537	4.2
110.97551	3.1
113.00890	3.1
114.09273	3.5
116.98592	4.0
119.01909	5.8
122.97720	6.7
125.94000	4.5
128.98647	3.0
131.01884	9.2
132.10219	4.1
133.03490	3.9
137.05986	20.0
139.02393	6.1
141.03987	3.3
143.01868	3.4
143.95042	3.6
145.03531	3.4
147.04366	4.2
151.33205	3.0
157.03484	19.8
158.99673	5.2
159.05031	9.6
161.02939	4.7
162.03091	9.2
166.96756	5.5
167.01895	17.7
167.96407	5.6
177.00706	3.1
184.97713	5.1
185.02988	100.0
185.04774	7.1
185.97569	3.6
190.03618	2.9
203.02286	3.8
203.04027	22.8
208.01350	21.6
208.04521	29.9
226.05513	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	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03946	0.9
55.01872	0.7
55.05515	3.9
57.03464	0.4
57.07078	1.3
59.05006	0.5
67.05508	6.5
69.03433	1.7
69.07072	9.9
69.28944	2.6
69.29356	1.4
71.04993	0.9
71.08633	0.6
73.28283	0.5
79.05473	3.2
81.07063	12.5
83.04989	10.1
83.08614	1.3
85.02925	0.6
91.05474	5.8
93.07050	8.7
95.04983	2.6
95.08610	15.3
97.06531	3.0
97.10170	1.9
105.07037	12.1
105.07619	0.3
107.04929	0.4
107.08601	10.2
109.06532	4.7
109.10153	4.1
111.08076	0.8
111.11716	0.6
113.12572	0.5
115.96450	2.1
119.08589	8.6
121.06493	0.6
121.10140	4.0
123.08072	100.0
123.11680	2.7
125.09656	0.7
130.49118	0.4
131.08629	0.7
133.06523	0.6
133.09135	0.8
133.10135	15.1
135.10835	0.4
135.11703	3.0
137.05989	0.9
137.09645	2.0
137.13260	4.6
143.08626	0.5
145.10165	0.6
147.04396	0.6
147.08087	1.0
147.11710	7.8
149.09659	0.8
149.13281	4.8
151.11203	6.6
161.09628	1.0
161.13271	6.5
163.11143	0.6
163.14838	1.7
165.12747	1.4
178.07840	0.6
189.09128	1.2
189.12758	1.5
189.16403	14.0
192.09305	1.8
207.06485	1.6
207.08275	0.9
207.10004	1.1
207.11668	2.4
207.13837	3.3
207.17444	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03947	9.2
55.01861	1.2
55.05503	7.0
57.03417	1.0
65.03941	1.6
67.05509	25.8
68.05846	1.1
69.03388	1.0
69.07076	6.3
70.10114	4.1
71.04981	3.3
77.03938	1.6
78.62559	1.0
79.05495	50.3
81.03441	1.6
81.07061	24.7
83.04975	2.3
83.08620	2.6
83.75913	0.9
84.12297	0.9
85.02891	1.2
85.06541	3.7
89.54613	0.8
91.05486	54.4
93.07046	100.0
94.31516	1.0
95.04961	12.2
95.08608	9.5
97.06545	1.1
98.21461	1.1
103.01837	3.7
103.05453	1.1
105.04526	3.8
105.07034	28.6
107.04945	1.4
107.08596	11.0
109.06532	4.9
109.10162	1.4
115.96391	1.1
117.07014	4.0
119.08589	17.8
121.06532	1.7
121.10157	2.0
123.08035	3.6
125.05981	1.1
127.07576	1.5
128.06236	1.1
129.07018	11.2
131.08623	1.8
133.06514	1.2
133.10165	7.9
135.04440	4.1
135.08047	1.2
140.18533	1.0
143.08585	7.5
145.10114	8.9
147.08047	2.0
147.11688	55.4
148.12149	1.1
149.09679	1.0
151.07504	1.3
153.05515	1.1
161.09637	4.2
161.13263	10.4
163.03906	35.2
163.05054	3.0
171.11688	20.1
189.12759	10.8
207.06538	22.6
207.13806	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	207.1381
Annotation	Ibuprofen
Peak:m/z	Relative Intensity
51.10036	0.3
52.35182	0.3
53.03950	0.3
53.46672	0.3
53.98653	0.3
55.05498	1.7
55.24834	0.3
67.05499	1.7
69.07071	3.2
69.14222	0.4
70.80698	0.4
70.81038	0.7
79.05497	3.5
81.07059	11.7
83.08640	0.6
87.04481	0.4
91.05483	4.7
93.07044	5.5
95.04955	0.4
95.08621	3.4
95.15250	0.3
97.06527	0.5
103.05463	0.5
105.07037	48.4
106.07336	0.6
107.04936	0.4
107.08603	3.1
109.06527	0.9
109.10165	0.6
109.11975	0.3
110.23359	0.3
115.96435	0.6
117.07017	1.1
117.24097	0.3
119.08587	18.8
121.06554	0.4
121.10162	2.1
123.08044	1.6
123.11700	0.4
127.01758	0.3
131.08553	1.8
133.09126	0.8
133.10136	15.6
137.05930	0.6
137.09676	0.3
139.07491	0.3
143.08548	1.4
145.10158	0.9
147.04385	0.3
147.08023	0.5
147.11638	1.8
149.09615	0.8
151.03935	0.3
151.07571	0.6
159.11726	0.9
161.13261	100.0
162.13646	1.7
163.14830	0.7
165.12727	0.5
171.11685	1.2
179.14346	2.0
189.12788	2.0
189.16417	0.6
192.09312	1.4
193.55475	0.3
207.06427	0.6
207.08243	0.4
207.09943	0.5
207.11665	1.9
207.13815	8.0
207.17378	0.6
208.83360	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03938	2.7
55.01874	2.0
55.05514	7.2
57.07064	6.4
59.05003	2.1
60.08416	1.5
65.03918	2.3
67.05174	2.2
67.05506	27.5
68.99792	1.6
69.03415	6.4
69.07063	5.3
69.25399	13.8
71.05001	2.6
71.71740	1.4
79.05495	9.8
81.07056	14.1
83.04987	5.5
85.02909	60.8
85.06538	4.8
85.85893	1.5
91.05483	16.6
93.07048	19.7
95.04961	5.7
95.08611	100.0
103.05457	2.3
105.06393	2.6
105.07040	30.6
107.05005	2.3
107.08607	27.8
109.06517	8.5
109.10164	13.2
111.04441	1.5
111.08108	1.9
113.05991	3.2
115.05392	2.0
117.06981	3.0
119.05004	2.5
119.08595	39.1
120.09349	2.1
121.06493	6.1
121.10155	25.2
123.08076	53.8
123.11703	41.8
125.06007	4.9
128.06256	3.6
129.07010	4.0
131.08548	7.9
133.06487	5.8
133.10181	10.3
135.08035	3.8
135.11734	3.1
137.05963	3.1
137.09610	5.0
139.07585	2.8
141.06990	1.6
143.08528	4.9
145.10123	5.3
147.04442	2.1
147.08057	10.4
147.11693	23.6
149.08427	3.5
149.09631	66.8
151.07516	8.4
151.14806	4.5
153.09128	1.6
156.09357	5.3
159.08047	2.8
160.08867	1.9
161.06004	12.4
161.09637	8.9
161.13257	21.9
163.11221	4.7
164.04672	2.8
165.09119	2.3
165.12766	12.0
171.11693	7.1
174.06735	2.9
174.10390	5.5
179.06920	1.8
179.14282	3.4
185.47755	1.8
189.09149	7.2
189.12752	30.2
192.22285	1.6
207.06523	5.2
207.10196	5.2
207.13814	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.03377	1.1
51.46356	1.1
53.03932	1.4
55.01871	1.6
55.05520	7.3
57.07067	3.8
65.03931	2.0
67.05507	34.4
69.03417	4.3
69.07069	4.9
69.42802	9.3
69.43164	1.1
71.04996	3.7
77.68443	1.5
79.05491	6.4
81.07054	9.8
82.63870	1.2
83.04980	3.2
85.06546	9.6
91.05486	12.1
93.07050	15.0
95.04951	3.9
95.08610	100.0
97.06530	1.6
98.08579	1.4
98.21523	1.4
99.05956	1.3
103.05499	1.8
105.07031	27.4
107.08592	28.1
107.09296	2.0
109.06522	4.7
109.10149	6.6
111.08065	2.5
112.69101	1.3
113.06009	4.3
118.04112	1.3
119.08583	37.1
121.06504	5.7
121.10154	15.7
123.08072	57.9
123.11693	7.5
128.31432	1.3
129.06975	1.7
131.08595	5.1
133.06506	3.3
133.09276	1.3
133.10130	7.8
135.08058	2.2
135.11696	3.7
137.09645	3.4
139.07538	1.6
143.08577	2.7
143.13329	1.1
145.10133	3.7
146.07254	1.6
147.08046	7.1
147.11690	19.1
149.09625	36.0
149.10768	2.6
151.07547	3.5
151.14833	4.0
156.09320	3.9
157.54539	1.3
159.07994	2.4
159.11702	3.3
160.08794	1.8
161.05980	18.7
161.09637	6.4
161.13263	27.9
163.11205	2.1
165.09137	2.1
165.12740	9.7
171.11752	4.0
171.95842	1.4
174.10399	2.5
179.14371	3.3
181.78722	1.6
189.09126	5.1
189.12743	17.8
207.13805	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	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.78043	0.3
53.03938	0.4
55.01860	0.4
55.05500	1.2
56.96575	1.6
57.03431	0.5
57.07066	1.0
60.25888	0.3
61.88361	0.3
63.25367	0.3
65.03939	0.4
65.16723	0.3
67.05515	1.7
69.03416	0.5
69.07072	2.9
69.63349	0.3
70.74641	0.4
70.74980	0.7
70.78134	0.3
71.04994	0.6
79.05486	2.2
80.69001	0.3
81.07063	2.7
83.04971	0.7
85.06561	0.3
91.05484	3.8
93.07041	2.4
95.04971	2.1
95.08624	2.3
97.06524	0.5
102.34637	0.3
103.05469	0.5
105.04506	0.3
105.07041	8.4
107.08608	4.2
109.06500	1.4
109.10180	0.8
111.08075	0.5
115.96394	0.3
117.07011	1.1
119.04935	0.4
119.08588	9.0
121.06508	1.3
121.10149	2.7
123.08076	5.5
123.11707	1.4
128.06261	0.4
129.07037	0.5
131.08577	1.7
133.06525	2.2
133.10147	4.0
135.08072	0.9
135.11719	0.8
136.08795	0.3
137.05963	1.4
137.09653	0.5
137.13287	0.4
139.07532	0.6
141.06972	0.4
143.08557	1.2
145.06580	0.4
145.10149	2.0
146.07263	0.3
146.10907	0.6
147.04434	0.5
147.08064	1.7
147.10506	0.5
147.11700	8.9
149.09637	3.8
151.07564	6.0
151.11189	0.3
156.09364	1.5
159.08066	3.6
161.09636	0.9
161.13251	2.5
163.11226	2.1
164.04713	2.0
164.12053	0.9
165.09103	1.1
165.12758	2.7
171.11685	1.3
173.09613	1.7
174.10420	5.3
175.11179	0.9
177.09070	1.9
179.14287	0.3
189.09184	0.7
189.12750	8.2
189.14453	0.4
191.10706	3.4
192.04198	1.6
192.11462	27.0
193.11778	0.5
207.06544	14.3
207.13815	100.0
208.06845	0.4
208.14110	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03960	2.0
55.01868	2.2
55.05502	5.5
57.03437	1.9
57.07071	1.6
59.78219	1.4
65.03927	1.9
67.05511	6.8
69.03435	7.9
69.07050	4.6
69.55772	10.1
71.04993	3.6
79.05500	11.1
81.07066	22.0
83.04979	6.6
85.02931	7.4
85.06544	5.9
88.07941	1.4
91.05491	24.0
93.07043	10.8
95.04980	11.6
95.08611	19.5
97.02895	2.9
97.06524	2.5
103.05458	3.3
105.07042	37.0
107.04945	3.5
107.07883	2.3
107.08591	38.4
108.05703	1.6
109.06519	25.3
109.10133	5.5
111.04429	1.6
111.08083	3.8
115.05444	2.8
117.07018	4.0
119.04952	10.3
119.08585	27.9
120.08133	1.7
121.02847	2.5
121.06508	8.7
121.10142	16.6
122.87235	1.6
123.04427	3.5
123.08069	25.7
123.11724	10.3
125.05964	2.7
125.09642	3.5
128.06219	2.2
129.07004	5.9
131.04887	1.8
131.08553	6.6
132.09352	1.5
133.06483	6.6
133.10133	14.0
135.04422	2.0
135.08075	2.7
136.05203	2.9
137.05939	4.8
137.09633	6.9
139.07477	1.6
143.08545	6.1
144.08086	1.6
145.06482	1.7
145.10088	6.0
146.07259	3.1
147.04358	5.6
147.08076	6.7
147.11702	30.0
148.05229	2.9
149.02350	7.2
149.09621	34.4
151.07553	100.0
156.09314	5.0
157.06548	2.4
161.05994	36.8
161.09607	17.7
161.13254	18.7
163.11200	4.3
164.04729	8.0
165.09119	3.5
165.12781	13.1
171.08058	1.7
171.11668	3.8
174.03157	2.1
174.06749	2.4
174.10455	2.6
179.07060	8.0
189.09105	19.7
189.10623	2.0
189.11206	1.8
189.12749	17.6
192.04152	3.6
207.06543	19.8
207.08240	2.6
207.09880	7.3
207.13805	47.7
207.17548	3.1
212.65431	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03938	2.8
55.01865	2.4
55.05512	9.8
57.03444	1.9
57.07070	3.1
59.04998	2.5
59.21682	1.8
64.43979	1.9
65.03917	1.9
67.05510	13.3
69.03439	14.5
69.07065	10.3
70.47628	3.5
70.48016	3.5
71.05000	8.9
77.03896	2.1
77.93944	1.5
79.05492	16.6
79.91264	1.5
81.03417	3.5
81.07060	20.6
83.04983	7.0
83.08636	2.0
85.02912	61.0
85.06549	5.0
85.70409	1.7
91.05486	42.8
93.07055	22.0
95.04964	10.5
95.08617	16.8
95.84742	1.8
97.06561	4.6
99.04478	2.3
101.06656	1.9
103.05466	5.9
105.07040	56.2
107.04954	7.2
107.08605	52.2
109.06520	21.0
109.10166	10.9
111.04430	2.0
111.08088	2.5
115.05439	3.0
116.06218	2.0
117.07024	8.7
118.04150	2.8
119.04942	8.4
119.08595	58.8
121.06519	18.9
121.10142	22.7
123.04403	3.8
123.08078	20.7
123.11728	12.7
125.05992	3.0
128.06236	10.2
129.07008	7.4
130.07800	3.4
131.04936	6.1
131.08589	16.7
132.05754	2.0
133.06493	10.8
133.10146	18.2
135.04434	1.7
135.08046	5.5
135.11711	4.4
136.05211	3.3
137.05981	7.4
137.09599	8.1
143.08569	12.6
145.06485	4.1
145.10143	14.5
146.03671	4.0
146.07278	8.6
147.04424	5.8
147.08058	20.1
147.11693	59.6
147.12808	3.8
148.05203	4.0
149.02376	4.5
149.09630	39.3
149.13240	2.1
151.03940	4.3
151.07533	17.5
156.09300	9.5
157.06520	2.7
159.04369	1.9
159.08015	2.3
159.11700	6.7
160.08849	3.5
161.05992	100.0
161.09608	32.1
161.13277	34.8
163.07574	3.1
163.11192	17.3
164.04678	5.7
165.05525	2.5
165.09137	5.4
165.12788	9.6
171.11743	10.4
174.06784	7.1
174.10402	6.3
177.12737	2.5
179.07065	5.7
179.10751	3.2
189.09114	50.1
189.12755	42.4
189.16368	2.6
189.42627	2.3
192.04243	2.3
207.06630	14.4
207.10172	24.8
207.13834	75.5
207.15633	4.3
208.14168	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.87183	1.5
52.56723	1.6
53.03940	3.5
55.05512	8.2
57.03442	3.4
57.32444	1.7
67.05505	12.2
69.03439	11.8
69.07062	9.4
69.43276	8.1
69.43701	4.8
71.04996	11.0
79.05488	17.0
81.07063	23.3
83.04971	3.7
85.06570	8.0
91.05482	32.3
93.06498	1.7
93.07049	24.2
93.65242	1.6
94.99961	1.8
95.04971	8.6
95.08619	13.5
97.06540	8.2
99.04451	6.6
103.05452	3.9
105.07040	92.8
107.04942	1.7
107.08601	75.7
109.06528	14.5
109.10163	24.0
117.07020	8.8
119.04909	3.6
119.08589	82.1
120.08075	3.8
121.06527	23.9
121.08432	6.5
121.10158	18.6
123.08083	13.1
123.11684	2.1
128.06233	6.1
129.07008	5.9
130.07726	2.0
131.08578	19.9
133.06450	6.4
133.10143	25.0
135.08070	4.3
137.06050	2.0
137.09656	3.8
143.08569	13.3
145.06447	3.2
145.10138	16.9
146.07256	3.0
147.08067	24.6
147.11702	74.7
148.05281	2.5
149.08456	3.0
149.09627	44.9
149.13248	3.7
151.07536	5.6
156.09378	13.0
159.08026	2.6
159.11717	24.1
160.08780	3.8
161.05991	26.1
161.09653	16.7
161.13268	65.3
163.11209	2.4
165.09169	2.4
165.12798	6.2
171.11711	18.1
174.10458	4.2
177.12738	11.1
189.09123	6.8
189.12733	41.2
207.13817	100.0
208.14059	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	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03944	2.6
55.01854	2.2
55.05512	20.9
56.96566	2.1
57.07077	20.8
59.41832	1.2
60.04521	3.4
65.03949	6.8
67.05508	15.8
69.03442	6.6
69.06687	1.7
69.07069	28.7
71.08636	2.2
71.50691	1.5
78.95268	1.3
79.05499	21.9
81.03404	4.3
81.07059	57.2
83.04963	2.3
83.08620	13.0
84.04498	2.5
85.02903	5.0
91.05486	19.9
93.03394	2.7
93.07045	67.1
95.04957	4.8
95.08613	48.3
95.09246	1.6
96.59756	1.4
97.02888	9.3
97.04833	2.1
97.10149	9.6
99.04411	1.4
103.05500	1.5
105.07031	19.9
107.04961	3.7
107.08600	57.8
109.02877	4.8
109.06525	3.5
109.10155	38.7
111.11714	4.1
113.96380	1.8
115.05427	2.2
117.07049	8.8
119.06049	1.2
119.08608	9.9
121.02863	11.0
121.03848	1.8
121.06517	18.0
121.10146	100.0
122.10448	2.1
123.11714	22.5
126.05538	1.9
127.03896	2.5
129.07007	2.1
130.07776	1.8
131.04945	1.8
131.08583	12.4
133.06505	3.0
133.10141	3.1
135.08054	9.2
135.10706	2.1
135.11702	34.8
135.12712	2.0
137.05995	3.2
137.13228	2.4
144.09325	2.5
145.06487	3.2
145.10126	13.2
147.08076	2.5
147.11671	6.2
149.02354	82.8
149.05969	10.5
149.09642	9.0
149.13269	59.7
150.02684	2.0
158.96233	1.4
159.08011	7.8
159.11693	16.0
161.06084	1.5
161.09619	2.2
161.13226	3.1
163.07588	6.1
163.11201	8.0
163.14879	10.0
169.10211	1.4
173.05951	1.6
177.09131	4.2
177.12741	6.2
181.97923	1.6
187.03893	2.4
187.07565	3.5
187.11185	8.0
187.14798	5.2
190.09860	1.3
205.04926	5.0
205.06795	2.1
205.08606	14.6
205.10350	2.7
205.12285	24.2
205.14145	8.7
205.15871	21.7
205.19542	41.0
205.21461	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	206.0814
Annotation	5-Methoxyindoleacetate
Peak:m/z	Relative Intensity
52.51215	0.2
53.02565	0.2
53.03944	0.3
54.47499	0.2
58.74264	0.2
63.27478	0.3
68.99787	0.6
69.03431	0.3
69.07086	0.3
69.42783	1.4
70.02955	0.8
77.51466	0.3
79.05518	0.5
82.94006	0.2
87.00836	2.3
91.05494	3.3
93.07051	2.7
95.04971	0.4
95.08608	0.6
97.02810	0.3
98.21461	0.4
103.05476	14.0
105.07024	1.0
107.08577	0.6
115.05447	0.4
116.20671	0.2
117.07073	0.4
118.06554	18.5
119.08585	0.9
120.08112	100.0
121.06511	0.6
121.08436	1.1
126.15542	0.2
128.04974	2.3
130.06541	1.4
131.51634	0.2
135.08116	0.3
136.08414	0.3
137.05945	0.3
145.06485	0.4
145.10208	0.3
146.06018	15.1
147.11703	0.3
149.02359	0.4
150.02661	0.4
154.05032	0.3
160.07530	0.7
160.12125	0.5
161.06007	2.5
161.09624	1.2
161.13345	0.5
163.07645	0.3
170.06024	0.8
188.07086	10.8
189.09177	0.5
206.08119	5.7
206.12361	0.3
206.15251	0.2
207.10223	0.3
207.13875	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1954
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03946	1.5
54.56936	0.7
55.05514	9.0
57.03441	0.7
57.07077	5.3
60.04518	0.6
61.68869	0.7
65.03937	1.5
67.05511	9.2
69.03437	1.4
69.07072	15.4
69.28975	3.0
69.29403	1.8
71.04984	0.8
79.05499	13.1
81.03395	1.5
81.07063	52.3
83.04970	0.9
83.08624	4.5
85.02956	0.8
91.05477	7.8
93.07047	48.2
93.91859	0.6
94.07388	0.9
95.04962	2.8
95.08614	25.4
97.02910	1.3
97.06544	0.6
97.10155	3.5
98.20806	1.4
105.07040	6.5
107.04968	0.8
107.08597	30.6
109.06537	1.2
109.10165	16.7
111.11710	2.0
117.07019	2.3
119.08607	2.8
121.02864	2.0
121.06507	2.6
121.10151	100.0
122.10500	1.5
123.08076	0.9
123.11710	7.8
124.50854	0.6
127.03886	0.6
129.06906	0.8
131.08568	3.3
133.10149	1.7
135.08034	2.0
135.11700	16.6
136.25931	0.6
137.06006	0.7
137.13231	1.4
144.09280	0.8
145.06535	1.2
145.10141	3.0
147.11658	2.1
149.02351	17.3
149.06004	2.4
149.09651	1.5
149.13268	36.3
159.08009	2.1
159.11700	3.6
161.13251	0.7
163.07536	1.9
163.11240	1.6
163.14870	2.4
175.07500	0.8
177.09146	1.5
177.12769	1.6
187.11201	1.1
187.14864	0.7
190.06389	0.6
205.08482	3.0
205.12354	5.5
205.14197	1.5
205.15953	5.7
205.19540	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	205.1952
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03928	1.0
55.05511	9.8
57.07073	3.9
57.11536	0.6
65.03922	0.6
65.31802	0.6
67.05506	10.5
69.07073	15.5
69.41245	2.1
69.41682	2.4
71.08624	1.5
76.23737	0.6
79.05503	11.0
81.07060	53.4
82.07373	0.9
83.08624	4.9
91.05486	5.3
93.07048	49.6
95.04981	1.2
95.08614	26.3
97.10196	3.3
98.20742	1.1
105.07047	3.8
107.08599	30.9
109.10163	20.2
111.11755	2.2
119.08591	0.9
120.30117	0.6
121.10150	100.0
122.10487	1.7
123.11700	10.3
135.11700	16.2
137.13229	1.4
148.44199	0.5
149.02345	3.1
149.13269	36.9
163.14839	3.0
205.19536	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	205.1952
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03940	2.7
55.05271	1.1
55.05517	15.4
57.07076	7.0
66.42047	0.8
67.05513	14.2
69.06731	1.4
69.07072	22.4
69.56200	1.8
69.56609	3.8
71.08633	2.4
72.97417	0.9
79.05498	15.4
79.80647	0.8
81.07062	57.5
81.79368	0.9
83.08620	8.1
89.62485	0.9
91.05479	9.5
93.07050	61.6
95.07993	1.2
95.08614	39.8
97.10175	8.3
105.07048	7.7
107.08600	41.4
109.10166	34.8
109.10713	0.5
111.11721	3.7
113.78754	0.7
121.02932	1.0
121.10149	100.0
123.11729	14.3
125.13239	1.0
128.04337	1.1
135.11699	28.5
137.13257	2.3
144.24088	0.9
149.02364	8.9
149.13264	56.0
163.14857	5.8
205.19536	30.3
205.21474	1.5
206.19907	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
50.35178	0.9
53.03933	2.5
55.01870	1.3
55.05513	10.2
56.96545	2.5
57.07076	8.1
60.04527	1.9
65.03925	2.2
66.90752	0.9
67.05182	0.9
67.05510	11.1
69.03426	2.1
69.07069	17.7
69.85634	3.4
71.04972	0.9
71.08628	1.2
79.05495	16.8
81.03422	1.4
81.07059	60.2
82.07407	1.0
83.04974	1.7
83.08605	3.6
85.02898	1.4
91.05480	13.8
93.07048	58.5
94.07340	1.1
95.04962	3.0
95.08610	31.9
97.02299	0.7
97.02870	4.3
97.10152	3.8
99.04436	1.0
103.05447	1.0
105.07024	12.2
107.04962	2.0
107.08603	36.2
109.02874	1.2
109.06523	1.9
109.10157	21.5
111.11714	2.1
113.61422	1.0
115.05454	1.2
116.06205	1.5
117.07023	4.2
119.04953	1.0
119.08617	5.4
121.02861	2.8
121.04017	1.1
121.06509	3.4
121.10148	100.0
122.10492	1.9
123.08128	1.1
123.11696	10.0
127.03867	0.8
129.07005	2.2
130.07806	1.2
131.08562	7.3
133.06512	1.2
133.10136	2.5
135.08075	4.1
135.11693	17.4
137.05988	1.4
137.13245	1.6
145.06468	2.0
145.10104	7.3
147.08054	2.7
147.11705	2.1
149.02341	23.0
149.05972	4.6
149.09686	3.7
149.13268	38.5
159.08078	9.2
159.11691	5.6
161.09627	1.3
161.13255	1.6
162.10179	0.9
163.07570	1.4
163.11179	1.9
163.14856	4.0
172.08681	1.1
177.09105	3.5
177.12756	2.6
187.03941	0.9
187.07597	1.6
187.11151	1.7
187.14792	1.8
203.10768	1.0
205.04935	2.1
205.08580	11.6
205.12311	8.6
205.14162	2.6
205.15906	9.1
205.19559	17.0
206.08223	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
50.13081	1.1
53.03946	1.7
54.86799	1.0
55.05516	14.9
57.07084	5.3
63.04365	1.1
65.03934	2.3
67.05506	41.1
69.07072	21.1
69.82610	4.2
71.08610	1.6
72.34258	1.1
79.05496	16.6
81.07062	67.0
83.08629	7.0
85.10611	1.0
91.05480	6.3
93.07050	44.0
93.12506	1.1
95.04963	2.0
95.08614	100.0
95.83454	1.1
96.08975	1.8
97.10167	4.0
104.72457	1.0
105.07027	4.5
107.08597	34.4
107.09315	2.3
109.10165	68.6
110.10525	1.4
111.11702	1.8
121.10148	34.3
123.11718	36.2
124.12062	1.0
135.11700	40.8
137.13266	1.3
145.10147	1.4
149.02353	6.8
149.13271	38.9
163.14839	3.7
205.08760	1.2
205.14140	1.4
205.15884	2.0
205.19545	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	205.1226
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
51.02391	0.3
53.03952	1.4
55.01880	0.5
55.05516	1.2
57.03432	0.5
57.07079	2.4
60.04535	0.6
64.48511	0.4
65.03954	0.9
67.05502	2.4
69.03437	1.5
69.07076	2.8
69.71118	0.3
71.05000	0.7
71.51028	0.3
71.51470	0.6
73.36345	0.3
77.72330	0.3
79.04890	0.3
79.05097	0.4
79.05496	2.9
81.03440	1.5
81.07065	2.5
83.08625	0.4
85.02909	1.5
85.68436	0.4
89.40022	0.4
91.05492	8.1
93.07053	8.9
95.04988	1.7
95.08622	1.8
97.02906	1.8
97.06554	0.3
97.10207	0.4
99.04468	0.5
103.05437	1.8
105.04543	0.5
105.07048	5.9
107.04283	0.6
107.04970	4.8
107.08607	3.3
109.02892	1.0
109.06522	2.5
109.10160	1.4
115.05459	4.6
116.06271	0.7
117.07030	8.3
119.04956	0.8
119.08588	3.1
121.02899	2.0
121.04061	0.7
121.06517	15.8
121.10144	3.0
123.08074	0.4
123.11728	0.9
128.06163	0.5
129.07028	1.4
130.07832	1.6
131.04926	1.2
131.08585	4.6
133.06512	0.8
133.10161	1.1
134.03668	1.0
135.08078	1.5
135.11699	1.7
137.06013	0.7
141.07057	0.7
143.08574	1.0
144.05687	0.6
144.09389	1.2
145.06500	7.2
145.10135	15.9
147.07990	0.4
147.11668	0.9
149.02379	10.7
149.05997	100.0
149.13303	1.8
150.06297	0.8
155.06035	2.2
155.43855	0.3
158.07298	0.8
159.04431	0.7
159.08061	2.4
159.11703	6.8
161.05991	1.0
161.09630	1.2
161.13251	0.8
163.03963	0.5
163.07545	2.9
163.11191	1.8
169.10146	2.3
172.08847	0.5
173.05998	4.7
175.07535	0.7
176.08292	0.4
177.09122	1.2
177.12749	1.0
187.03825	0.8
187.07558	1.4
187.11194	3.6
187.14807	1.1
190.06250	1.3
205.04890	1.0
205.06848	0.8
205.08705	5.5
205.12260	19.8
205.13887	0.7
205.15715	2.9
205.19406	1.0
206.07626	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03937	2.2
55.05516	18.0
57.07075	6.7
67.05515	15.7
69.07074	37.9
70.18124	4.5
70.18530	2.6
70.33655	1.6
71.08632	2.9
79.05499	15.8
81.07063	51.7
81.90353	1.6
83.08629	15.0
91.05487	9.1
93.07053	69.8
95.04939	1.9
95.08618	45.3
97.10185	10.2
105.07037	6.7
106.41023	1.5
107.08604	60.9
108.08928	1.5
109.10162	38.6
111.11707	1.5
119.08604	2.1
121.10155	79.4
123.11713	23.1
135.11705	43.4
137.13260	1.8
149.02347	10.4
149.05910	1.6
149.13271	100.0
160.84317	1.6
163.14903	8.1
171.17755	1.6
195.07104	1.6
205.15871	2.9
205.19550	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	205.1226
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02389	0.7
53.03947	1.7
53.23218	0.4
55.01873	0.6
55.05506	2.7
55.93934	0.4
56.96569	0.9
57.03426	1.0
57.07071	1.7
58.20755	0.5
65.03938	1.6
67.05511	7.5
69.03420	1.2
69.07080	3.2
70.46288	1.0
70.46685	1.0
71.04998	0.7
79.05504	8.8
80.73497	0.6
81.03419	1.3
81.07062	11.3
83.04992	1.1
91.04899	0.8
91.05483	15.8
93.03407	0.8
93.07051	9.7
95.04976	2.2
95.08629	3.8
97.02911	1.1
97.06536	1.2
99.04472	0.7
103.05474	2.9
105.07039	39.6
106.07331	0.6
107.04948	1.8
107.08597	5.8
108.37593	0.5
109.02885	0.6
109.06506	0.7
109.10165	0.8
111.04449	0.5
113.06035	0.5
115.05449	2.8
116.06201	1.2
117.07024	18.2
119.08589	21.6
120.09369	0.5
121.02872	1.0
121.06534	4.5
121.10172	1.6
123.08109	0.6
123.11691	1.4
125.06005	1.1
126.37347	0.4
127.03886	0.6
127.05531	0.4
128.06258	0.9
129.07013	7.6
130.07813	3.9
131.08580	33.7
133.06444	0.9
133.10141	29.0
135.04431	2.0
135.08069	1.6
135.11700	1.9
137.05940	1.3
141.06992	0.9
142.07820	2.0
143.08571	2.1
144.09360	10.9
145.06506	3.5
145.10130	5.7
147.08076	0.9
147.11699	0.7
149.02351	10.3
149.05984	10.2
149.09637	1.6
149.13303	0.9
152.98495	0.5
154.07854	0.7
157.10139	4.9
158.07237	1.1
159.08145	3.2
159.11703	100.0
160.12173	1.4
161.06020	0.5
161.13297	4.5
163.07558	5.9
163.11192	1.8
169.10132	1.2
172.08800	1.4
177.09096	1.0
177.12790	3.4
187.07631	0.9
187.11200	10.3
187.14761	1.1
205.04846	1.1
205.08586	1.6
205.12257	32.7
205.13979	1.2
205.15868	2.8
206.12460	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0861
Annotation	Eriosematin F
Peak:m/z	Relative Intensity
50.57823	0.7
51.02369	1.1
52.96819	0.7
53.03952	0.8
55.01862	3.1
55.05507	1.7
57.07061	1.9
60.14413	1.0
65.03937	2.3
66.37215	0.6
67.05500	2.6
69.03416	1.7
69.07062	1.8
70.29993	2.7
71.04988	0.7
72.96776	0.7
74.40164	0.7
79.05487	3.1
81.03400	1.9
81.07064	3.7
85.02887	0.8
91.05489	16.3
93.07063	6.6
95.04964	1.1
95.08617	3.7
97.02897	1.6
97.06568	1.0
103.05482	5.6
105.03362	0.9
105.07043	8.3
107.04932	1.5
107.08601	5.1
109.06528	1.1
109.10143	2.3
115.05464	29.0
115.06288	1.4
116.06208	2.9
117.07026	100.0
118.07372	1.2
119.08582	3.7
121.02847	3.2
121.06506	4.5
121.10154	3.7
127.03932	0.8
127.05459	0.9
128.06189	1.1
129.07008	2.4
130.07707	1.1
131.04900	3.2
131.08582	6.2
133.06508	0.9
133.10161	1.9
135.04424	1.0
135.08067	2.6
135.11676	2.1
137.05902	1.0
143.04875	1.3
143.08588	1.2
144.05751	4.4
144.09383	1.2
145.06494	58.6
145.10120	9.5
147.04411	1.3
147.08009	1.1
147.11694	2.2
149.02354	73.0
149.05977	14.7
149.09610	1.7
149.13271	2.7
155.06049	7.9
157.06438	1.2
159.08070	8.0
159.11716	6.2
160.05139	1.2
161.05945	1.6
161.09480	0.8
161.13289	1.8
162.03133	1.4
163.03931	1.6
163.07549	2.4
163.11174	2.4
163.14861	1.4
164.04698	64.8
173.06000	32.9
173.07564	1.1
174.06398	1.1
175.07617	1.7
177.05482	4.6
177.09119	5.6
187.07576	7.6
187.11221	2.8
187.14897	2.2
190.06258	3.9
191.03374	4.1
205.04903	1.6
205.08629	20.5
205.12277	8.2
205.14235	1.5
205.15891	7.5
205.19373	1.5
206.05734	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1226
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
51.46153	0.6
51.62571	0.6
53.03951	0.9
55.01871	1.2
55.05497	2.3
57.07095	3.0
64.11078	0.7
65.03933	0.7
67.05511	3.6
69.03422	0.7
69.07061	1.6
70.05481	1.3
70.05890	1.7
75.01443	0.6
77.03915	0.9
79.05496	3.0
81.03413	1.1
81.07052	2.9
83.04980	0.6
85.02911	0.8
91.05494	9.1
93.03417	0.7
93.07056	11.1
95.04975	2.0
95.08604	2.6
97.02885	0.8
98.20908	0.7
101.02309	0.7
103.05462	2.2
105.03316	0.6
105.07050	9.7
107.04926	1.5
107.08602	3.8
109.02881	0.7
109.06516	1.1
109.10183	1.5
115.05461	2.6
116.06203	0.7
117.07034	6.6
119.04905	0.8
119.08577	4.1
121.02903	0.8
121.04006	1.1
121.06519	22.2
121.07388	1.3
121.10164	2.4
123.08073	2.4
123.11721	0.6
128.06256	0.9
129.06993	3.2
130.07797	2.1
131.04950	1.4
131.08580	5.8
133.06508	2.0
133.10129	1.5
135.04457	0.6
135.08072	25.4
135.11697	1.5
137.06006	4.2
142.07727	0.9
143.08551	1.4
144.05701	0.9
145.06505	2.8
145.10146	17.7
147.08089	2.3
147.11685	1.3
148.05180	1.2
149.02368	10.6
149.05986	6.3
149.09650	8.4
149.13239	1.7
151.07547	8.4
155.08565	1.7
157.06520	1.1
157.09976	0.8
158.07304	4.5
159.08072	9.4
159.11752	3.4
161.06009	8.0
161.09589	1.4
161.13301	0.7
162.06732	1.2
163.07591	6.9
163.11243	3.7
172.08873	2.1
173.09650	15.3
174.10434	8.2
175.07556	18.2
175.11125	1.5
176.08350	7.1
177.05492	3.4
177.09117	11.2
177.12756	6.8
187.07526	0.9
187.11235	2.5
187.14845	0.9
189.09111	1.4
190.06335	0.7
190.09903	21.4
205.08618	3.6
205.12263	100.0
205.15929	4.4
206.12611	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03938	1.8
55.01849	1.0
55.05507	6.6
60.04496	1.7
65.03917	1.0
66.78171	0.8
67.05508	22.3
69.07075	9.5
69.65005	3.8
69.65416	2.0
72.16454	0.9
74.07096	0.7
75.86688	0.8
79.05495	9.6
81.07059	47.2
83.08612	2.0
84.04504	1.1
91.05488	17.5
93.06479	1.7
93.07048	22.3
93.07638	1.3
95.05003	0.8
95.08611	74.9
96.04482	0.8
96.08929	1.1
97.10142	0.9
105.07035	48.3
107.08600	46.8
109.06483	1.4
109.10162	49.3
117.07008	2.5
119.08591	39.5
121.10156	17.7
123.11720	6.9
128.06236	2.7
129.07004	4.2
131.08554	3.6
133.09137	1.5
133.10138	30.6
135.11708	4.7
142.07768	3.0
143.08592	2.3
145.10138	5.0
147.08041	3.3
147.11697	56.2
155.08488	0.8
157.06493	2.9
157.10167	3.5
159.11732	4.2
160.08784	0.9
161.09616	2.7
161.13283	17.7
175.07515	1.0
175.11264	1.6
175.14847	8.9
185.13338	0.9
203.07118	2.0
203.10706	9.5
203.14258	4.7
203.17973	100.0
204.18285	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
50.13434	0.8
53.03931	1.2
55.05512	6.9
55.21096	0.8
60.04528	1.6
65.03928	1.5
66.82948	0.9
67.05183	1.6
67.05508	21.5
69.03416	1.0
69.07063	10.2
70.76391	2.6
76.75260	0.8
79.05499	10.9
80.72835	0.8
81.07059	59.5
83.08601	1.0
91.05485	14.1
93.06483	1.6
93.07048	22.4
95.08614	62.1
97.10167	1.2
105.07037	44.9
107.08598	43.4
109.06487	1.1
109.10165	42.5
111.78983	0.9
119.08588	36.6
121.10146	15.8
123.11707	8.3
129.07010	1.1
131.08556	3.4
133.10138	22.1
135.11697	3.7
139.11438	0.9
142.07765	1.7
143.08514	1.5
145.10103	3.8
147.08052	1.6
147.11697	55.3
157.10162	2.5
159.11711	2.1
161.09692	1.5
161.13260	16.6
168.13559	1.0
175.11246	1.1
175.14827	9.7
185.09555	1.2
185.13255	1.3
188.08234	1.5
196.20415	0.9
203.07094	1.5
203.10654	3.5
203.14317	3.0
203.17966	100.0
204.18272	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
52.12127	0.9
53.03944	1.8
54.95606	1.1
55.05516	7.6
57.07085	1.6
60.04529	1.6
67.05177	1.7
67.05504	17.9
69.03429	1.8
69.07070	14.8
70.06023	2.1
70.06416	2.2
74.28373	0.8
75.41624	1.2
79.05500	11.7
81.07063	47.6
83.08599	2.2
90.39435	1.1
91.05481	21.2
93.07050	21.6
95.08615	46.7
97.02869	1.2
97.10180	1.0
103.65865	0.9
105.07043	56.9
107.08604	32.9
109.09476	1.9
109.10168	29.5
117.07011	3.5
119.08586	44.1
121.10142	19.4
123.11724	6.3
126.05527	1.3
129.06999	1.6
131.08597	5.6
133.10143	40.1
135.11691	4.3
142.07782	1.7
145.10146	8.9
146.10527	1.1
147.11700	72.8
157.10147	3.2
159.11667	4.9
160.12482	4.7
161.09625	2.7
161.13271	21.0
167.35966	1.1
174.14102	1.3
175.11227	1.6
175.14876	8.0
188.08311	1.3
203.07018	1.9
203.10707	8.0
203.14191	3.3
203.17973	100.0
204.08611	1.2
204.18407	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.01626	1.1
55.05515	10.8
57.07072	4.5
60.04520	2.6
65.03937	1.7
67.05507	19.0
68.05014	2.8
69.07072	28.1
70.91661	2.7
73.53714	1.0
75.45931	1.2
79.05498	19.4
81.07062	47.2
82.21857	1.0
83.08602	3.6
84.04492	3.5
85.02880	1.5
91.05483	35.5
93.07050	27.7
95.05022	1.5
95.08611	46.8
96.04501	4.1
97.02876	2.7
97.10134	1.3
103.05477	1.7
105.07035	87.2
107.08607	27.0
109.10162	41.6
109.10930	1.7
110.58247	1.0
114.05527	2.5
114.58648	1.1
115.63498	1.0
116.89882	1.0
117.07018	3.7
119.08588	60.1
121.10149	21.9
123.11708	21.1
126.05524	5.6
131.08575	5.5
133.09120	2.4
133.10139	50.3
135.11684	5.3
142.07803	1.6
142.39133	1.3
145.10144	6.7
147.11699	100.0
148.12109	1.1
149.06422	1.1
157.10194	1.6
159.11681	4.1
160.12515	3.2
161.13258	20.5
166.71956	1.1
167.37798	1.0
175.14853	6.0
188.08369	1.3
203.07047	2.0
203.10689	2.8
203.14375	3.6
203.17970	61.9
204.08659	2.2
204.13870	4.4
204.18355	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05512	10.2
57.07082	7.4
58.07378	1.8
60.04517	2.1
62.06088	2.0
67.05509	26.4
69.03441	1.5
69.07075	17.3
69.32482	12.7
71.08628	1.5
71.35062	1.4
73.50912	1.4
79.05489	12.9
81.06592	2.5
81.07058	44.3
83.08614	4.9
91.05480	20.1
93.07043	25.5
95.08609	63.6
96.08946	1.4
97.02899	2.0
103.05458	2.0
105.07033	67.3
106.07342	1.6
107.08586	31.2
109.10160	56.5
111.10556	1.3
115.05415	1.6
117.07006	4.3
119.08586	59.7
121.10146	21.1
123.11714	7.7
126.05470	1.6
128.06200	5.3
129.07013	9.9
131.08563	8.6
133.06502	2.4
133.10133	43.1
135.11697	6.4
142.07782	5.4
143.08539	3.5
145.10156	11.9
147.07999	4.6
147.11694	79.0
157.06508	5.5
157.10149	8.7
159.11742	4.6
160.12465	5.3
161.05943	2.0
161.09639	3.6
161.13264	20.9
175.07570	4.9
175.11218	2.7
175.14839	8.6
185.06075	1.4
185.09619	2.8
185.20914	3.0
203.07062	6.8
203.10675	13.5
203.14545	8.6
203.17969	100.0
203.22005	26.8
204.13789	1.8
204.18333	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
51.02397	0.7
52.28783	0.7
52.78560	0.6
53.03950	1.2
55.05306	0.6
55.05519	5.8
56.41236	0.6
65.03928	1.0
67.05180	1.1
67.05512	17.5
69.07079	8.1
70.63014	1.3
70.63386	1.5
79.05500	9.8
81.07061	55.9
82.07388	0.6
83.08608	1.4
91.05485	11.1
93.07053	22.2
95.08616	65.0
97.02924	0.7
97.10196	0.7
105.07043	43.8
107.08604	42.3
109.10160	39.0
109.14551	0.8
112.08749	0.7
117.07057	0.9
119.08590	31.1
121.10154	14.6
123.11710	7.3
129.06956	1.1
131.08572	1.4
133.09122	1.3
133.10141	23.4
135.11702	4.0
142.07796	1.2
145.10176	1.6
147.11699	47.6
148.12276	0.8
152.70767	0.6
157.10153	1.7
159.11696	3.2
160.12491	1.0
161.09573	1.0
161.13272	16.2
175.11250	0.8
175.14842	7.8
188.08301	0.8
203.07066	1.0
203.10709	2.6
203.17973	100.0
204.18298	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	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.82756	1.6
53.03931	2.4
55.05515	13.5
55.32866	1.4
57.07055	3.3
63.76430	1.6
67.05508	41.9
68.92483	1.7
69.07075	22.2
71.30134	4.0
79.05505	9.9
81.06596	2.7
81.07057	53.4
83.08608	7.7
91.05487	16.1
93.07051	19.4
95.08610	76.2
105.07034	68.0
107.04899	1.9
107.08602	32.1
109.10165	84.8
116.68518	1.8
117.06973	4.6
119.08588	65.9
121.10153	26.0
123.11700	7.8
123.53674	1.5
128.06210	2.2
129.07016	3.6
131.08546	5.3
133.10143	48.2
135.11658	8.3
142.07735	2.1
142.95587	1.7
145.10109	7.7
147.11691	83.1
157.10138	3.5
159.11731	5.4
160.12444	2.6
161.13277	20.8
175.14825	7.4
203.10641	4.7
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	203.1797
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
50.13787	1.2
52.36550	1.0
53.03933	2.8
55.05520	11.7
57.07072	2.0
67.05508	18.2
69.03423	1.6
69.07067	23.0
69.15898	1.1
70.35688	4.5
79.05500	14.0
81.07058	56.9
83.08598	4.6
91.05485	28.4
93.06481	1.8
93.07045	23.7
95.04948	1.5
95.08609	38.2
105.07034	69.2
107.08593	24.1
109.10162	25.2
115.05438	2.6
117.07009	5.5
119.08589	51.4
121.10145	20.2
123.11723	9.3
128.06215	2.5
129.06987	3.3
131.08578	9.4
132.09293	1.6
133.10141	49.0
134.38457	1.2
135.11688	5.4
142.07791	3.1
143.08562	1.5
145.06567	2.1
145.10130	14.5
147.08038	2.5
147.11693	96.1
157.06528	1.4
157.10130	6.7
159.11719	8.5
160.12511	9.1
161.09590	2.4
161.11983	2.1
161.13269	28.3
175.07552	2.8
175.11079	1.4
175.14864	7.1
185.09595	3.2
188.15681	1.3
203.07037	5.2
203.10696	9.0
203.14430	3.5
203.17964	100.0
204.18243	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
55.05512	10.3
57.07077	1.8
59.40501	0.9
63.28519	0.9
67.05513	18.8
69.06506	0.9
69.07076	15.7
70.92622	0.9
71.12144	0.8
73.32886	0.9
74.63341	0.8
77.03892	0.9
79.05499	9.1
81.07065	34.6
83.08607	2.9
91.05491	31.2
93.07057	21.9
95.08615	56.4
103.05506	1.2
105.07042	66.6
107.08605	34.6
109.10165	31.2
115.05464	1.1
117.07009	3.0
119.08597	46.1
121.09341	1.6
121.10160	24.9
123.11715	6.8
130.52518	0.9
131.08562	3.8
133.10147	43.7
135.11732	6.2
145.10124	7.2
147.11702	85.3
148.12062	1.4
157.10155	1.4
159.11659	3.0
160.12489	1.4
161.13271	21.6
175.14868	10.3
185.13326	2.0
203.10789	1.6
203.14224	4.0
203.17981	100.0
204.18330	2.2
211.21751	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03949	1.4
55.05518	6.7
57.07071	1.6
64.63460	0.9
67.05190	1.1
67.05514	17.2
69.07076	27.3
70.07417	1.0
71.36921	1.7
79.05499	11.6
80.21699	1.0
81.06593	2.2
81.07063	40.1
83.08625	5.1
84.04472	1.5
91.05490	24.4
93.07050	22.9
95.05019	1.2
95.08617	38.1
97.10185	1.4
103.05494	1.2
105.07042	72.6
107.08611	23.8
109.10167	29.7
117.07014	3.0
119.08591	47.8
121.10161	18.9
123.11708	6.9
126.05532	1.9
131.08589	6.1
133.10143	48.8
135.11700	5.5
145.10139	13.5
146.10844	1.1
147.11702	100.0
148.12068	1.8
159.11635	5.3
160.12480	9.4
161.13278	28.5
175.14807	3.7
180.71800	0.9
203.17976	97.0
204.18425	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	(+)-alpha-Curcumene
Peak:m/z	Relative Intensity
53.09311	1.1
53.42493	1.3
55.05511	9.0
57.07064	2.5
59.30861	1.1
59.69698	1.2
67.05515	14.3
69.06686	1.3
69.07076	26.6
79.05499	8.2
81.07063	43.2
82.07389	1.1
83.08621	4.8
91.05488	24.7
93.07053	17.1
95.08614	25.2
98.01669	1.4
105.07047	65.7
107.08603	18.0
109.10174	19.6
117.07050	3.4
119.08596	46.6
121.10157	17.8
123.11710	5.0
131.08569	8.1
133.10153	48.1
135.11703	2.0
145.10146	17.3
147.11702	88.8
148.12051	1.8
159.11699	4.8
160.12485	11.9
161.13283	29.5
175.14902	2.6
203.17986	100.0
204.18330	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05506	10.6
57.07069	2.1
65.03942	1.2
67.05507	14.4
69.07069	23.3
69.34431	10.2
79.05491	11.9
81.06586	2.4
81.07055	35.7
83.08605	2.4
91.05487	26.1
93.07052	22.3
95.08615	32.3
97.10165	1.4
101.93948	1.3
101.98021	1.2
104.72041	1.2
105.07032	67.5
107.08598	19.3
108.28109	1.2
109.10159	27.3
117.07005	4.7
119.08584	50.0
121.10154	19.3
123.11704	7.7
126.40580	1.3
128.03148	1.2
131.08577	6.2
133.10136	54.4
133.38446	1.2
135.11731	3.3
145.10129	15.7
146.10898	1.5
147.11691	97.6
155.61206	1.2
159.11684	5.3
160.12495	11.2
161.13274	25.0
161.14592	1.7
161.29805	1.1
167.00841	1.3
175.14836	5.2
203.17964	100.0
204.18333	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03956	1.1
55.05515	7.4
57.07063	1.8
58.21417	1.6
61.85747	1.3
67.05507	13.7
69.07072	22.8
69.36329	8.6
79.05501	8.9
81.07063	39.6
83.08615	5.2
91.05492	17.9
93.07049	19.2
95.08614	30.4
96.11023	1.5
97.10125	1.8
103.05424	1.6
105.07037	64.8
107.08595	17.7
109.10156	25.6
109.73910	1.4
113.20739	1.2
117.07029	3.5
119.08591	46.8
121.10146	14.6
123.11687	5.3
131.08545	6.6
133.10144	43.6
135.11674	4.5
145.10136	11.2
146.10895	1.7
147.11696	99.7
148.12064	1.4
159.11697	4.3
160.12465	13.6
161.11986	2.2
161.13269	27.5
175.14833	5.1
194.55377	1.4
203.10651	1.8
203.17975	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03939	1.1
55.05521	5.1
64.06252	0.8
67.05507	18.1
69.07071	8.2
79.05487	8.0
80.37477	0.8
80.80341	0.7
81.07056	30.1
83.08611	2.4
91.05482	13.7
93.06477	1.4
93.07045	20.1
94.27433	0.7
95.08608	59.1
97.10147	1.3
98.20785	2.6
105.07034	41.8
107.08595	39.6
109.10156	41.3
114.59665	0.8
118.96218	0.9
119.08588	34.9
121.10145	16.6
123.11700	7.1
126.05531	1.1
131.08522	1.0
133.10130	24.6
135.11691	3.9
145.10155	2.9
147.11693	46.2
159.43221	0.7
161.13255	17.6
175.14836	9.6
181.73520	0.8
203.17958	100.0
204.18288	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
50.37859	1.1
55.05507	11.1
57.07053	1.7
65.01060	1.2
65.03941	1.3
67.05510	17.9
69.07069	17.3
70.99949	2.4
71.08630	1.6
79.05486	10.0
81.07063	43.8
83.08612	4.1
91.05481	25.9
93.06495	1.4
93.07056	16.7
95.04952	1.9
95.08615	59.4
98.20817	1.5
105.07036	59.4
107.08598	24.7
109.10162	52.5
109.10931	2.1
115.05442	3.2
116.06218	2.8
117.07030	7.0
119.08588	68.2
121.10158	19.9
123.11712	9.4
128.06213	11.5
129.07013	27.9
131.08580	12.3
132.75830	1.3
133.10141	50.5
135.11697	5.1
141.07031	1.4
142.07790	8.5
143.08528	2.2
144.09319	2.5
145.06470	2.2
145.10147	7.9
146.10881	2.0
147.08057	4.9
147.11690	72.3
155.06020	1.5
157.06491	28.2
157.10135	11.9
159.11670	4.6
160.12514	7.1
161.05948	1.2
161.13271	24.6
175.07587	2.7
175.14870	6.8
185.09590	3.3
203.07048	51.5
203.10669	16.4
203.17964	100.0
204.18303	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05513	6.9
57.07066	1.6
65.03925	1.5
67.05183	1.4
67.05511	21.1
69.07072	12.6
71.09774	2.2
71.10111	1.4
79.05498	10.9
81.07063	44.3
83.08611	2.6
91.05489	15.2
93.07049	19.5
95.08612	67.5
105.07037	51.9
107.08604	36.5
109.10165	46.8
117.07072	2.1
119.08592	45.5
120.73894	1.4
121.10155	18.8
123.11721	9.3
131.08572	2.7
133.10141	36.6
135.11702	4.7
145.10139	5.1
147.11697	69.9
157.10112	1.4
158.75487	1.0
159.11661	1.9
161.13268	18.7
175.14818	8.6
203.10669	4.7
203.17967	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1432
Annotation	Penidienone
Peak:m/z	Relative Intensity
53.03939	2.3
55.05517	8.7
57.03432	2.2
67.05514	8.3
69.03437	100.0
69.07070	10.4
69.66065	4.0
69.66471	6.1
79.05498	12.7
81.07064	23.3
83.04974	2.5
91.05489	20.5
93.07061	16.7
95.04966	3.9
95.08613	18.9
97.06540	4.6
98.21458	1.8
103.05441	2.1
105.07040	49.8
107.04876	1.9
107.08604	28.9
109.06531	14.4
109.10130	2.3
115.05435	2.5
116.06338	1.9
117.07005	5.9
118.03275	1.5
119.08587	51.4
121.06494	4.1
121.10162	7.1
123.08079	8.0
128.06190	6.0
129.07014	5.2
130.07762	2.4
131.08577	31.4
132.09366	2.0
133.06509	9.3
133.10139	43.2
135.08067	6.2
135.11679	3.7
141.06976	2.4
142.07761	8.0
143.08563	15.1
144.09389	3.9
145.10144	21.8
146.07219	2.0
147.08049	17.3
147.11708	22.7
155.08556	2.9
156.09319	5.0
157.10133	15.9
159.08055	2.9
159.11737	17.0
161.08333	2.3
161.09628	36.8
161.13286	20.4
170.10909	6.1
173.09686	2.6
174.10387	4.1
175.11194	7.2
175.14842	23.7
176.15013	1.7
185.13261	17.4
188.12044	1.6
203.06995	2.4
203.14326	93.4
203.18089	8.2
204.14624	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	203.1796
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03921	1.7
55.05511	9.6
56.96553	1.5
57.07061	1.1
65.03957	1.6
67.05509	25.6
69.07072	10.2
70.17806	3.6
79.05494	12.7
81.07060	53.8
83.04963	2.3
83.08604	1.4
91.05482	16.6
93.07056	25.6
93.72292	1.2
95.08611	75.3
97.02919	1.3
97.10192	1.1
98.21376	1.6
103.05452	1.1
105.06308	2.0
105.07036	49.3
107.08598	54.0
109.06505	2.1
109.10163	49.9
117.07012	3.0
119.08594	38.6
121.06521	1.2
121.09309	2.0
121.10139	19.1
123.11733	7.3
126.05509	1.1
129.07002	3.7
131.08556	4.0
133.09125	1.7
133.10136	32.0
135.11685	3.3
142.07787	4.7
143.08549	2.7
145.10126	3.4
147.08018	3.1
147.11694	55.6
148.66457	1.2
157.10123	7.5
159.11659	2.5
161.09586	1.6
161.13286	15.9
175.11185	3.5
175.14812	8.6
185.09659	2.0
203.07016	1.9
203.10660	9.4
203.14365	6.6
203.17964	100.0
204.18196	1.6
205.69533	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1431
Annotation	Penidienone
Peak:m/z	Relative Intensity
51.02369	1.1
53.03949	3.1
55.01867	2.2
55.05510	12.7
56.96565	6.8
57.03434	3.1
57.07074	2.3
60.04527	7.3
61.02931	0.9
65.03934	2.5
67.05507	32.8
67.84641	0.8
68.05025	1.1
69.03421	3.0
69.07069	14.1
70.56435	2.5
71.04990	2.0
71.08632	0.8
77.03897	1.1
79.05497	24.9
81.03416	1.2
81.07062	65.7
82.07407	1.4
83.04970	3.1
83.08625	5.1
84.04498	3.7
85.02915	1.0
91.05482	42.8
93.07048	42.8
94.07421	1.1
95.04973	7.4
95.08610	77.3
96.04491	3.7
96.08931	0.9
97.02921	4.4
97.06535	3.5
97.10176	1.5
103.05469	2.7
105.07035	89.7
106.07343	1.8
107.04961	7.9
107.08598	54.3
109.06522	9.5
109.10161	46.9
110.06001	0.9
111.08066	2.0
112.44263	0.7
114.05530	3.1
115.05445	4.8
116.06240	1.6
117.07028	18.2
119.04972	1.2
119.08586	65.8
120.08928	1.6
120.96540	1.9
121.06518	8.7
121.10146	23.2
123.08067	7.1
123.11712	7.9
126.05537	4.1
127.07536	1.2
128.06218	11.6
129.07016	22.2
130.07767	1.9
130.40109	0.8
131.08574	22.0
132.05719	0.9
132.08926	1.0
133.06509	5.6
133.10135	54.6
135.08078	4.6
135.11699	5.7
141.06993	3.5
142.07787	13.6
143.08571	32.4
143.09706	1.8
144.09299	3.1
145.06476	2.7
145.10130	44.1
146.10556	2.4
147.04428	1.1
147.08064	17.1
147.11699	73.3
148.12010	1.0
148.50739	0.8
149.09641	1.4
155.06050	1.5
155.08568	3.4
156.09343	3.6
157.06488	2.3
157.10138	24.3
159.08104	2.1
159.11697	22.3
160.08804	2.2
160.12416	1.6
161.06042	1.5
161.09630	11.9
161.13269	23.9
168.06433	1.0
170.10936	4.7
171.09326	3.4
173.13283	2.7
174.13956	1.2
175.07556	3.7
175.11182	11.4
175.14847	21.9
179.52592	0.8
180.09843	6.7
185.09651	3.7
185.13263	39.6
188.08319	2.5
189.10335	2.4
203.03371	1.2
203.05280	1.5
203.07045	5.1
203.10701	23.3
203.14337	100.0
203.17989	89.9
204.08652	3.5
204.13663	4.7
204.18280	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1393
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
55.01876	0.9
55.05519	1.7
56.05044	1.2
56.96572	5.6
57.03432	1.1
58.06608	0.9
60.04529	6.5
61.02917	0.6
66.09377	0.6
67.05502	0.7
68.05026	1.2
69.03441	1.7
69.07070	1.9
70.06594	2.2
70.98108	0.6
71.05007	1.1
71.48934	1.3
72.08164	1.8
72.93785	0.8
73.00305	0.6
79.05499	0.9
81.03429	1.3
81.07061	1.8
83.08638	1.0
84.04504	3.4
84.08145	1.9
84.96051	1.0
85.02902	1.5
86.09713	100.0
87.04480	1.5
88.03957	0.6
91.05486	2.1
93.07051	0.6
95.08627	1.2
96.04512	1.2
97.02908	2.6
98.06078	1.4
98.97586	7.3
99.04478	0.8
99.06377	0.8
101.00891	2.1
102.05564	1.4
105.07073	1.5
107.08614	1.0
109.02870	0.6
110.07178	0.7
112.11262	2.4
112.99117	0.7
113.02587	0.7
114.05537	3.1
115.05576	0.6
116.98642	3.1
117.40527	0.6
119.01891	4.2
119.04933	1.7
119.08592	1.4
120.08144	0.8
120.96504	1.3
121.06477	0.8
126.05551	1.9
129.06993	0.6
129.10243	0.8
129.13887	1.6
130.06540	0.6
131.01904	0.8
132.10216	60.9
133.10176	0.8
134.99696	0.8
142.07770	0.9
143.01888	1.6
146.99707	1.0
147.04437	4.6
147.11708	0.9
150.96909	1.1
155.60785	0.6
157.07607	0.8
157.10202	0.9
157.13371	9.1
158.11797	3.5
158.99681	2.2
159.12070	1.5
161.01469	0.6
161.02956	3.3
173.04532	0.7
175.05899	1.8
175.07590	2.4
177.00787	1.5
179.97882	1.1
185.13405	0.8
203.03656	0.9
203.05315	3.1
203.07132	3.1
203.10712	2.2
203.13733	3.4
203.18042	0.9
204.08737	1.5
204.13895	1.4
214.90669	0.6
219.01825	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96826	0.7
53.03939	0.9
55.01870	4.2
55.05513	3.6
57.03436	1.3
57.07054	0.8
60.04520	1.7
62.49310	0.6
65.03937	2.0
67.05488	2.6
67.87039	0.6
69.03428	6.0
69.07060	2.0
70.06593	0.9
70.44981	1.0
70.45329	2.1
79.05491	5.8
81.07052	2.8
83.04971	1.3
86.09695	2.2
91.05489	32.9
93.07044	3.5
95.04967	2.0
95.08591	2.8
97.02868	0.9
103.05476	4.4
105.07036	24.2
107.04972	6.0
107.08577	2.5
109.06536	0.9
109.10162	1.3
115.05473	7.4
116.06238	0.7
117.07036	8.3
119.04939	5.3
119.07787	1.1
119.08598	8.3
121.06502	3.3
121.10108	1.3
126.05557	1.0
128.06229	7.4
129.07016	15.2
130.07764	1.4
131.04916	3.8
131.08580	8.8
132.05684	1.8
133.06503	32.6
133.10126	4.1
141.06975	3.4
142.07790	14.9
143.04895	1.6
143.08586	4.9
144.05725	2.0
144.09366	1.0
145.06508	5.9
145.10149	3.7
146.07251	1.9
147.04427	6.3
147.08049	11.8
147.11700	4.5
151.07553	11.5
152.06174	1.0
155.06058	1.1
155.08553	1.1
157.06483	2.8
157.10136	14.7
158.10992	0.8
159.08076	8.3
159.11668	1.9
160.05219	5.7
160.08783	1.1
161.05959	3.1
161.09634	15.4
161.13257	2.4
165.05486	63.6
167.08597	1.3
170.07285	3.2
170.10989	1.2
171.08051	2.3
172.05273	1.7
172.08899	1.7
173.05965	1.4
173.09680	0.8
174.06783	4.4
175.07582	18.0
175.11197	29.3
175.14799	0.8
185.06070	1.1
185.09628	22.9
185.13284	2.3
188.04742	1.7
188.08330	7.9
203.07034	12.9
203.10675	100.0
203.14194	9.9
203.17989	2.4
204.11008	2.3
204.13795	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1068
Annotation	Ligujapone
Peak:m/z	Relative Intensity
53.03933	1.1
55.01865	2.8
55.05513	6.3
55.57634	0.7
56.05031	0.6
56.96569	3.3
57.03434	0.9
60.04528	2.9
61.02923	0.7
65.03934	2.0
67.05483	2.5
67.05794	0.5
68.05000	0.6
68.99788	0.8
69.03431	4.8
69.07070	3.1
70.06573	1.8
71.04978	1.0
71.13472	1.2
72.13603	0.5
73.02927	0.6
77.03880	0.6
79.05497	6.3
81.03394	0.6
81.07071	3.9
83.04956	0.8
83.08632	1.0
84.04498	1.4
84.08160	1.3
85.02896	1.5
85.06543	0.7
86.09712	1.7
91.05488	23.8
93.07022	2.5
95.04965	2.1
95.08600	1.4
96.04491	0.8
97.02869	2.0
97.06562	0.7
98.01289	0.6
98.97591	7.4
103.05491	3.4
105.07035	23.4
107.04971	4.4
107.08604	1.7
109.06546	0.7
109.10150	1.1
110.01286	1.2
112.11262	0.7
114.05534	1.3
115.05459	5.5
116.06265	1.1
116.98617	2.6
117.07020	6.4
119.01795	2.1
119.04963	3.6
119.08587	6.6
121.06501	2.7
126.05513	1.2
128.02338	5.0
128.06213	6.2
128.98604	0.6
129.07016	13.7
130.06488	0.8
131.04929	4.1
131.08568	10.2
132.05690	1.8
133.06502	36.0
133.10168	4.1
134.06865	0.6
134.99670	0.6
137.02873	1.3
139.53056	0.7
141.07004	3.3
142.07784	11.8
143.04918	1.0
143.08604	5.1
144.05713	2.5
144.09341	0.7
145.06497	5.1
145.10121	3.2
146.07283	1.6
147.04420	5.6
147.08052	6.9
147.11659	3.0
151.07549	14.2
152.06183	0.8
155.06076	0.8
155.08441	0.8
157.06488	4.1
157.10136	14.1
158.10872	2.1
158.99654	2.0
159.04533	0.5
159.08086	7.9
159.11702	1.9
160.05237	3.7
160.08806	2.0
161.06000	3.2
161.09625	12.4
161.13199	1.5
162.06761	1.0
165.05482	44.5
166.05832	0.8
167.08594	1.1
169.06450	0.9
169.07709	0.7
170.07318	4.3
170.10936	0.7
171.03159	0.8
171.08054	2.4
172.08853	2.1
173.05997	1.1
174.06750	1.9
175.07578	14.3
175.11191	31.4
177.00752	1.9
185.09628	21.2
185.13277	1.7
188.08311	7.8
189.04292	0.8
203.03392	1.3
203.07199	8.1
203.10674	100.0
203.14317	6.4
204.10994	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1068
Annotation	Ligujapone
Peak:m/z	Relative Intensity
53.03937	3.8
55.01874	7.6
55.05275	1.2
55.05514	14.0
56.96566	3.1
57.03435	1.7
60.04505	1.5
65.03931	3.3
67.05177	1.9
67.05508	28.6
69.03416	3.1
69.07075	6.4
71.35241	2.3
72.18286	1.4
79.05078	2.0
79.05501	30.8
81.07062	79.4
82.07389	1.6
83.04990	6.8
83.08620	1.5
91.05488	30.8
93.07051	23.2
95.04965	13.7
95.08612	49.7
103.05473	1.5
105.07034	81.8
107.04942	5.8
107.08595	35.5
109.06522	21.7
109.10159	31.4
115.05466	7.9
116.06242	1.4
117.07032	12.9
119.04931	1.8
119.08591	46.3
121.06534	6.7
121.10146	13.5
123.11706	5.7
126.05518	1.9
127.07584	13.1
128.06219	14.9
129.07019	29.8
131.05000	1.1
131.08572	32.9
132.09286	1.5
133.06493	6.5
133.10139	52.0
135.04460	1.6
135.11684	3.1
141.07007	11.2
142.07790	47.2
143.07510	2.0
143.08575	26.9
144.09354	2.2
145.06488	6.4
145.10127	4.9
146.07281	5.2
147.08031	9.5
147.11696	54.3
152.06233	1.8
155.08635	2.4
157.06499	3.0
157.10141	71.3
159.08070	9.4
159.11722	6.6
160.08858	6.1
161.05988	6.3
161.09633	29.9
161.13290	12.0
167.08530	6.2
169.06453	1.6
170.07289	2.4
174.06792	2.9
175.07529	4.8
175.11197	80.2
175.14749	8.7
176.11479	1.6
185.09621	36.3
185.13184	2.0
188.08307	3.9
203.10675	100.0
203.14291	8.6
203.17969	73.5
203.19409	1.6
204.11026	1.8
222.58481	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1069
Annotation	Ligujapone
Peak:m/z	Relative Intensity
53.03942	1.6
53.56205	0.9
54.37486	1.0
55.01865	2.1
55.05517	7.2
56.96571	0.9
57.03426	3.3
57.07048	1.3
60.04516	3.6
65.03930	2.0
65.11808	0.9
67.05515	12.6
69.03433	4.9
69.06728	1.0
69.07073	7.5
70.64802	1.0
71.50718	1.6
77.03930	1.3
79.05493	11.6
81.07062	30.6
83.04980	1.4
83.08603	1.7
84.04509	3.0
91.05482	19.9
93.07061	16.2
95.04967	3.0
95.08614	33.2
96.04481	2.1
97.02900	2.3
100.00258	1.1
103.05472	1.5
105.07043	44.6
107.04948	3.9
107.08601	19.3
109.06495	2.6
109.09466	1.4
109.10172	16.3
114.05553	1.5
115.05466	4.0
116.06222	1.2
117.07021	9.5
119.04940	3.0
119.08593	34.7
121.06502	6.2
121.10150	10.1
123.08097	1.9
123.11711	2.6
126.05518	3.9
128.06187	6.1
128.72716	1.0
129.07016	15.8
130.07814	2.3
131.08585	13.9
133.06511	6.2
133.10143	28.6
135.08023	3.1
135.11728	1.8
141.07007	4.9
142.07809	24.2
143.08589	10.2
144.09363	2.5
145.06506	4.5
145.10126	11.0
146.07324	2.1
147.08049	9.5
147.11702	35.6
149.05977	2.2
155.08575	1.8
156.09357	1.4
157.06543	2.7
157.10152	33.2
159.08069	4.1
159.11729	8.5
160.08829	3.8
160.12483	2.3
161.06026	5.1
161.09637	47.7
161.13275	15.7
165.33391	1.1
167.08551	1.3
168.06418	1.1
170.07338	1.3
170.10886	1.5
173.05931	1.4
174.06749	3.3
175.07500	5.0
175.11215	8.5
175.14784	6.7
180.09904	1.0
185.09656	9.9
185.13245	7.1
188.08330	6.7
203.07164	5.1
203.10683	100.0
203.14331	33.7
203.17970	43.7
204.08711	2.3
204.11049	2.1
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	203.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	1.4
70.53905	3.4
70.99850	2.5
72.38531	1.3
73.02913	1.5
82.99839	16.0
86.09727	5.6
98.97595	2.5
101.00883	100.0
102.00964	2.9
113.00871	5.6
115.02433	18.7
119.01924	90.6
120.02057	1.7
124.87540	1.1
131.01907	13.3
131.05591	1.1
133.03471	92.3
133.34445	1.0
134.03520	1.2
137.02950	8.9
143.01906	25.6
145.03389	1.3
149.03020	6.8
151.04526	15.5
157.03458	2.2
161.02960	62.0
161.06560	2.6
171.41074	1.1
173.02975	44.6
173.06609	2.4
174.03061	1.6
179.04080	5.4
191.04013	80.7
192.04160	2.4
203.03992	26.1
203.07613	7.7
221.05104	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	201.1639
Annotation	alpha-Calacorene
Peak:m/z	Relative Intensity
53.03977	0.7
55.05513	2.1
57.07083	3.7
67.05510	4.2
69.07079	2.9
70.41273	1.9
71.08640	3.6
73.00775	0.4
74.59975	0.5
79.05495	3.8
80.65199	0.5
81.07069	8.0
83.08612	0.6
91.05487	7.5
93.07056	9.2
95.04957	1.1
95.08612	8.7
95.93890	0.5
103.05447	0.8
105.07041	23.2
107.07875	0.9
107.08600	13.0
109.10172	3.6
115.05428	1.2
116.06242	0.9
117.07021	9.6
119.07813	1.0
119.08597	12.3
121.10153	5.6
124.28588	0.5
126.31204	0.5
128.06221	0.8
129.07010	3.8
130.07782	6.3
131.08585	29.9
133.10149	5.4
142.07741	0.8
143.08588	4.4
144.09346	5.0
145.10133	100.0
146.10800	1.8
147.11682	0.9
157.10152	3.4
158.10875	2.0
159.11705	41.7
171.11671	1.2
173.13280	22.4
186.14085	1.5
192.03149	0.5
200.74260	0.6
201.09109	1.7
201.16397	56.4
202.16679	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58060	1.6
57.93575	2.2
68.33936	1.8
70.16885	4.0
70.17281	3.5
82.99848	4.7
98.21497	2.3
101.00886	50.7
102.00928	1.9
111.00385	1.8
114.95648	5.5
119.01927	100.0
120.01995	4.5
124.02459	6.4
132.96629	2.0
137.02953	18.5
140.00792	3.3
142.03510	36.8
160.04567	8.8
161.02975	29.3
179.04008	32.2
179.99130	2.4
198.15514	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	1.7
65.03851	0.9
70.06592	1.1
70.99855	2.5
71.19344	1.9
76.15867	1.0
82.99837	16.1
85.06500	1.1
86.09695	4.3
86.86840	1.0
86.99351	1.4
91.71958	1.1
98.21221	1.6
98.97590	1.7
101.00890	100.0
102.00933	2.4
103.00690	1.5
105.63313	1.1
111.00409	1.1
113.00876	4.0
115.02443	20.7
119.01932	98.0
120.02007	2.4
131.01926	14.6
131.05583	2.5
133.03481	98.3
134.03569	1.6
137.02985	9.4
142.03528	1.7
143.01904	27.9
149.02959	7.7
149.06688	1.3
151.04538	17.8
157.03424	1.7
161.02971	57.4
161.06592	1.8
162.03191	1.3
173.02972	46.1
173.06593	4.3
174.03166	1.9
179.03987	4.9
185.06712	1.4
191.04024	81.7
192.04166	2.7
203.04015	27.1
203.07648	10.0
203.13864	1.2
213.09801	1.1
221.05045	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
52.65602	0.7
53.03948	0.8
55.05513	1.8
57.07090	3.4
65.03956	0.7
67.05515	4.3
69.07072	4.0
69.42252	5.1
71.08629	2.0
77.03894	0.7
79.05499	3.2
80.52591	0.6
81.07063	9.8
91.05486	8.4
93.07053	13.7
95.08615	12.8
103.05481	0.6
105.07040	21.7
107.08601	14.8
109.10135	3.7
115.05430	1.4
117.07025	9.0
119.08594	13.1
121.10153	6.2
128.06226	1.6
129.07042	4.0
130.07787	6.8
131.08575	32.9
133.10149	7.1
142.07797	1.1
143.08604	3.7
144.09348	5.1
145.10133	100.0
146.10675	2.2
147.11644	0.8
152.65596	0.7
157.10127	3.8
158.10951	2.4
159.11703	47.0
167.27180	0.7
171.11720	1.6
173.09755	1.5
173.13280	30.1
186.06818	0.9
186.14043	1.3
196.64925	0.9
199.14818	0.9
201.09160	6.0
201.16397	71.6
202.16782	2.5
219.70940	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03941	1.2
55.05510	3.6
56.96559	1.1
57.07071	2.1
60.84114	0.8
66.66185	0.8
67.05505	3.9
69.06739	0.7
69.07064	5.3
70.40754	1.3
71.08633	1.5
79.05500	5.6
81.06644	1.2
81.07063	10.3
83.08588	0.8
91.05483	9.4
92.48234	0.7
93.07057	8.7
95.08620	11.1
98.21523	1.0
105.07044	19.3
107.08604	12.7
107.50419	0.9
109.10158	4.0
115.05463	2.9
117.07028	14.3
118.96777	1.8
119.08591	11.9
121.10136	6.3
128.06203	1.8
129.07056	4.9
129.07874	1.2
130.07816	4.9
131.08575	29.1
133.10133	11.5
141.07033	1.0
142.07762	1.1
142.36374	0.8
143.08583	4.8
144.09355	4.0
145.06471	1.7
145.10135	76.2
146.10858	2.9
147.11710	0.9
155.08531	2.8
157.10118	5.4
158.07263	1.5
158.10968	1.8
159.08026	2.5
159.11697	45.6
160.12135	1.2
167.09898	0.8
171.11713	1.6
172.08803	1.4
173.09679	4.4
173.13269	15.3
177.98132	1.7
186.10422	1.0
199.14842	1.0
201.05479	1.5
201.09125	6.3
201.12874	8.1
201.16394	100.0
202.16687	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
55.05498	3.5
57.07083	5.0
67.05513	6.5
69.06783	0.9
69.07069	8.9
70.97329	2.2
71.08624	2.7
79.05503	7.1
81.07065	15.7
83.08621	1.3
87.29900	1.0
90.98138	1.0
91.05483	14.0
93.07047	14.8
95.04977	1.1
95.08623	12.9
105.07042	23.8
107.08604	15.9
109.10163	5.8
115.05441	2.4
116.06225	2.5
117.07024	21.2
119.07816	1.4
119.08600	17.9
119.57858	0.8
121.10153	9.5
122.28343	1.1
128.06232	1.4
129.07018	6.5
130.07800	7.8
131.08578	41.4
133.10132	8.2
141.06999	1.7
142.07771	3.0
143.08585	10.7
144.09328	6.6
145.10135	100.0
146.10844	2.6
155.08504	1.0
157.10146	9.0
158.10915	7.5
159.08109	1.7
159.11705	71.7
160.12155	2.2
168.38300	0.9
171.11671	3.1
172.12462	2.0
173.09494	1.0
173.13283	15.8
186.14038	3.0
201.09117	3.6
201.12695	2.9
201.16397	80.8
202.16679	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03944	1.4
53.14780	0.6
55.05506	3.3
57.07081	4.3
65.03944	0.9
67.05505	5.7
69.07058	3.1
70.16196	3.4
71.08627	3.5
77.39706	0.8
79.05508	5.4
81.07066	13.8
83.08633	0.9
91.05489	10.2
93.07046	12.7
95.08611	10.7
95.61665	0.7
105.07034	21.5
107.08604	15.4
109.10160	3.5
115.05462	1.6
116.06202	0.8
117.07019	11.2
118.96751	1.5
119.08590	15.0
121.10160	7.4
128.06233	1.3
129.07036	3.6
130.07803	6.9
131.08583	28.0
133.10144	5.4
142.07774	2.5
143.08598	5.0
144.09340	4.8
145.10135	100.0
146.10736	1.8
147.11606	0.9
153.16289	0.8
155.08560	1.4
157.10153	4.9
158.10936	2.0
159.11708	45.2
160.12022	1.4
171.11655	2.0
172.12469	1.5
173.09816	1.0
173.13266	15.4
186.14061	2.1
188.44812	0.8
201.05557	1.0
201.09105	2.3
201.12692	2.6
201.16394	66.9
202.16846	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1275
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
52.72811	0.6
53.03939	2.1
55.01857	1.5
55.05514	3.7
57.03427	0.9
57.07081	3.1
57.07310	0.6
64.44878	0.6
65.03941	1.8
67.05509	8.5
69.03430	4.7
69.07069	4.7
69.28728	2.4
69.29152	3.3
71.04977	0.8
71.08618	1.9
77.03934	1.2
79.05497	11.4
81.03441	1.1
81.07059	18.0
85.02896	0.7
91.04910	1.3
91.05482	27.2
93.07047	20.3
95.04953	3.3
95.08607	10.3
103.05465	6.6
105.03408	1.2
105.04477	1.0
105.07034	34.5
107.04964	5.0
107.08598	11.4
109.06525	2.5
109.10145	3.0
115.05462	10.8
116.06222	2.4
117.07019	36.5
118.96767	0.9
119.04968	1.7
119.08583	18.6
120.66110	0.6
121.06529	6.4
121.10140	5.4
123.08092	0.7
127.03920	2.1
128.06239	8.4
129.06041	0.9
129.07002	18.4
130.07797	10.9
131.04921	5.7
131.08572	48.7
132.08969	0.8
133.06508	2.1
133.10127	9.8
141.06990	8.9
142.07790	13.6
143.08571	16.1
144.05659	1.7
144.09372	8.2
145.06494	15.1
145.10127	96.9
146.10735	1.9
147.04407	1.4
147.08060	2.4
147.11676	1.5
153.06981	9.6
154.07748	2.8
155.04951	0.7
155.06018	1.7
155.08560	35.8
157.06540	1.5
157.10127	17.6
158.07280	7.3
158.10922	7.1
159.08069	17.2
159.11697	54.8
160.08826	1.2
160.12181	0.7
165.05479	2.6
167.08537	1.2
168.09341	16.6
169.06462	0.9
171.08047	2.5
171.11681	3.0
172.08855	2.9
172.12486	1.6
173.06029	3.2
173.09644	13.0
173.13264	33.1
183.08121	4.1
183.11696	22.5
186.06808	2.4
186.10437	3.5
186.14079	2.1
201.05420	2.7
201.09117	48.9
201.12750	100.0
201.16377	59.1
202.09352	0.8
202.13074	1.9
202.16690	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	ar-Tenuifolene
Peak:m/z	Relative Intensity
51.02386	0.5
51.77238	0.5
53.03939	1.8
55.05518	3.6
56.96569	6.2
57.07075	1.4
67.05512	9.2
69.07068	4.3
69.69830	3.7
75.67127	0.5
76.43800	0.6
79.05497	12.7
81.06592	0.9
81.07063	18.1
83.08643	1.4
85.98018	0.6
91.05489	19.8
93.06490	1.1
93.07053	19.5
95.04959	1.1
95.08616	17.9
97.10251	0.5
103.05438	0.7
105.07039	31.6
106.07371	1.0
107.08599	22.9
109.06530	1.1
109.10168	6.4
115.05470	1.9
116.06256	1.4
117.07033	19.6
117.07861	0.9
118.96752	1.7
119.05959	0.5
119.08591	20.2
121.06480	0.7
121.10163	9.2
127.03887	0.7
128.06227	2.0
129.07019	4.1
130.07819	5.3
131.08574	36.2
133.10146	10.9
135.11688	1.9
141.06990	0.8
142.07765	1.9
143.08585	5.0
144.09346	3.0
145.06493	1.9
145.10135	65.9
146.10750	2.3
147.11697	2.4
153.07056	0.9
155.08557	2.9
156.08792	1.2
157.10135	4.4
158.10876	2.2
159.08051	2.1
159.11716	36.4
160.12292	0.8
163.52390	0.5
165.09343	2.2
171.11693	2.1
172.12483	1.6
173.09618	1.9
173.13286	13.8
177.98187	0.9
180.09851	1.3
183.08125	0.8
183.11745	0.9
186.10338	1.0
186.14076	0.7
189.10387	0.7
199.14876	1.3
201.05530	0.8
201.09117	3.4
201.12946	5.0
201.16405	100.0
202.16759	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	201.091
Annotation	Goniothalamin
Peak:m/z	Relative Intensity
53.03934	2.9
53.96439	0.7
55.01877	5.6
55.05496	0.8
65.03943	2.9
67.05509	4.9
67.52071	0.7
69.03426	1.6
71.51201	1.3
77.03921	0.8
77.17252	0.7
78.04774	0.7
79.05497	8.9
81.03419	1.5
81.07055	1.6
91.05487	31.2
93.03394	1.3
93.07030	2.6
95.04974	3.6
95.08617	1.6
103.05466	7.5
105.03371	3.2
105.04519	1.1
105.07035	39.9
107.04945	3.3
109.02840	1.4
115.05455	29.2
116.06272	6.5
117.07021	34.7
119.04901	3.7
119.08571	4.9
121.06534	1.4
121.10187	0.7
127.03902	0.8
127.05411	1.8
128.06242	18.4
128.08440	0.8
129.07013	40.8
130.07805	24.1
131.04950	14.3
131.08580	21.7
132.05719	2.6
133.06499	4.6
135.04381	1.9
141.07001	15.4
142.07802	22.8
143.08586	8.6
144.05730	4.9
145.06494	19.3
145.10132	55.6
147.08063	3.4
152.06157	1.0
153.07004	17.9
154.07774	5.9
155.06020	5.7
155.08565	71.2
156.09073	1.8
157.06511	4.7
157.10139	9.9
158.07288	24.4
159.04439	2.3
159.08064	12.1
159.11685	5.4
160.05205	4.7
165.05470	1.0
165.07007	3.0
168.05780	1.7
171.08015	1.5
172.08769	1.0
173.06004	9.8
173.09634	47.5
173.13290	2.4
174.10046	1.1
183.06505	1.5
183.08069	24.2
186.06769	2.5
201.05513	15.4
201.09116	100.0
201.12712	3.2
201.16423	7.5
202.09456	2.6
202.21651	1.2
213.77879	0.8
214.20299	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0911
Annotation	(+)-(3S,4R)-cis-3,4-Dihydroxy-3,4-dihydrofluorene
Peak:m/z	Relative Intensity
50.75200	1.0
51.02382	2.1
53.03936	2.9
54.52930	1.1
55.01872	8.4
55.05495	1.6
57.07062	1.5
65.03950	3.3
66.55776	1.2
67.01852	1.3
67.05505	6.9
69.07075	1.3
71.49879	1.5
71.50303	1.3
77.03939	1.4
79.05499	8.9
81.03419	1.8
81.07058	5.4
83.08602	1.4
85.45701	1.2
91.05489	53.9
93.07055	6.1
95.04970	7.3
95.08599	6.8
102.04652	1.3
103.05463	17.9
105.03394	11.0
105.07035	43.0
105.88564	1.3
107.01337	1.5
107.04930	2.1
107.08610	7.8
109.02918	1.5
109.10162	3.2
115.05463	68.9
116.06225	5.0
117.07028	81.4
119.04961	19.2
119.08572	10.7
121.10124	2.0
123.04375	1.6
127.03959	1.7
127.05452	25.0
128.06236	43.1
129.03383	2.2
129.07033	34.6
130.06940	1.7
130.07808	17.7
131.04936	17.2
131.08583	26.1
132.05725	2.1
133.06471	4.7
133.10143	3.8
135.04515	1.2
141.07008	6.1
142.07806	13.0
143.04951	1.4
143.08557	8.7
144.05684	8.1
144.09354	2.1
145.06494	88.3
145.10136	60.8
145.11327	2.7
147.04428	12.2
147.08070	1.9
153.06982	11.4
154.07776	3.8
155.04921	48.0
155.06070	21.7
155.08569	40.7
156.05472	1.3
156.09338	1.9
157.06544	8.6
157.10124	6.8
158.07300	19.3
158.10913	1.6
159.04449	3.4
159.08093	10.0
159.11702	25.3
160.05238	3.2
161.05991	1.3
165.05537	1.3
165.06964	2.1
168.05733	1.9
171.08072	1.8
172.05299	1.7
173.06004	89.2
173.09645	44.5
173.10837	1.1
173.13200	6.7
174.06316	2.3
183.04451	10.3
183.08052	15.2
185.05988	2.1
186.06808	11.2
201.03571	2.1
201.05479	58.4
201.09131	100.0
201.12837	4.5
201.16382	28.8
202.09442	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	201.0911
Annotation	(+)-(3S,4R)-cis-3,4-Dihydroxy-3,4-dihydrofluorene
Peak:m/z	Relative Intensity
52.83177	0.5
53.03953	2.8
53.04177	0.4
55.01863	0.5
55.05497	1.9
56.27277	0.6
56.96556	0.7
57.03421	0.9
57.07059	1.2
63.02403	0.5
65.03942	0.9
67.05515	3.9
69.03432	5.7
69.07060	2.0
70.63174	1.1
71.08636	0.6
74.54678	0.5
77.03921	0.9
79.05502	4.0
79.31368	0.5
81.03409	0.8
81.07059	4.2
81.30164	0.6
83.04976	0.6
83.72710	0.4
89.45520	0.5
90.28008	0.5
91.05486	16.1
93.07064	6.0
95.04955	2.8
95.08626	4.1
98.97593	0.8
103.05470	13.6
105.04492	0.9
105.07035	17.0
107.04931	0.4
107.08595	6.2
109.10139	1.9
115.05452	6.1
116.06248	1.9
117.07024	32.8
118.07338	0.6
118.30293	0.5
119.04935	2.3
119.08585	7.4
121.06540	2.4
121.10125	1.9
123.07938	0.5
127.03931	0.6
127.05421	0.6
128.06216	4.5
129.07016	6.9
130.07790	6.4
131.04922	9.3
131.06030	2.2
131.08578	14.3
132.05704	0.8
133.06467	0.6
133.10152	3.6
141.06993	3.6
142.07838	2.9
143.08554	4.2
144.05710	2.4
144.09331	2.2
145.06490	4.3
145.10130	51.3
146.10538	0.7
147.04430	5.2
147.11723	0.8
148.18880	0.5
153.06987	4.2
154.07762	2.2
155.05986	1.6
155.08563	16.7
156.08850	0.6
157.06485	2.0
157.10103	3.0
158.07271	6.5
158.10887	1.2
159.08093	3.0
159.11703	18.9
165.05511	5.4
165.06879	1.0
168.05695	1.2
168.09369	0.8
171.08063	1.4
171.11722	0.9
172.08781	1.2
173.06004	2.1
173.09657	6.7
173.13283	7.4
183.08078	2.6
183.11729	2.0
186.06802	3.5
186.10361	0.7
186.14095	0.8
201.09117	100.0
201.12805	6.0
201.16394	32.4
202.09409	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	201.0912
Annotation	(+)-(3S,4R)-cis-3,4-Dihydroxy-3,4-dihydrofluorene
Peak:m/z	Relative Intensity
53.03931	2.4
55.01872	5.2
55.05498	0.8
60.83765	0.8
65.03919	1.2
67.05495	3.5
69.03431	1.8
71.08272	1.5
71.08601	1.1
72.26445	0.8
79.05499	6.7
81.03389	1.5
81.07035	2.1
91.05489	22.2
93.03398	0.9
93.07071	2.0
95.04983	4.4
103.05477	4.8
105.03400	2.4
105.07037	21.4
107.04968	5.0
107.08603	1.8
108.86409	1.0
115.04695	1.4
115.05466	22.7
115.06275	1.4
116.06302	4.0
117.07030	29.8
118.62577	0.7
119.03017	0.8
119.04948	3.7
119.08575	3.5
127.05438	4.3
128.05272	1.2
128.06224	19.1
129.07021	30.5
130.07811	13.6
131.04961	5.7
131.08588	14.2
133.06485	3.1
141.07005	10.2
142.07802	13.6
143.04887	1.0
143.08585	6.9
144.05704	5.1
144.09337	0.9
145.06496	24.1
145.10138	32.0
147.04483	1.5
147.08064	4.6
152.06216	1.3
153.07016	18.4
154.07785	7.8
155.04910	4.0
155.06047	7.6
155.08571	71.9
156.09050	2.5
157.06496	6.2
157.10129	5.6
158.07298	18.5
159.04436	1.1
159.08072	15.5
159.11699	4.9
160.05162	1.2
164.10255	0.8
165.07004	6.4
168.05716	2.9
169.10074	1.0
171.08025	2.4
172.08824	1.7
173.06024	17.5
173.09642	43.1
173.13324	1.4
174.09946	1.3
183.08054	22.5
186.06841	4.6
186.10435	1.9
201.05482	13.9
201.09123	100.0
201.12769	6.0
201.16408	5.6
202.09451	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	201.091
Annotation	3-methoxy-5-phenylphenol
Peak:m/z	Relative Intensity
51.02365	0.8
53.03947	2.0
55.01862	0.9
55.05499	1.4
55.36767	0.3
57.07069	0.8
59.06969	0.4
60.98756	0.4
65.03925	0.5
67.05508	2.2
69.03430	6.4
69.07056	1.6
69.73273	2.0
71.08624	0.8
77.03918	0.9
79.05515	2.3
81.07064	3.6
83.08597	0.4
91.05482	16.3
93.07049	4.4
95.04964	2.6
95.08614	3.5
102.04647	0.6
103.05468	14.4
105.04523	1.1
105.07037	14.4
107.04983	0.6
107.08603	3.8
109.06525	0.7
109.10130	1.1
114.03971	0.4
115.05453	5.8
116.06236	1.5
117.07021	34.0
118.07318	0.6
118.96805	0.5
119.04985	2.1
119.05676	0.3
119.08579	4.5
121.06490	2.0
121.10150	1.8
127.05486	0.4
127.07545	0.3
128.06207	4.3
129.07016	5.8
130.06866	0.4
130.07797	6.2
131.00060	0.4
131.04918	9.7
131.06020	2.5
131.08572	11.2
132.05684	1.0
132.95837	0.5
133.06461	0.5
133.10164	2.7
141.06998	2.5
142.07816	2.7
143.08578	4.1
144.05708	1.4
144.09384	1.7
145.06500	3.6
145.10129	41.3
146.10612	0.7
147.04399	5.6
147.07993	0.4
153.06996	4.2
154.07794	1.6
155.06049	1.3
155.08563	13.3
157.06514	1.2
157.10152	2.0
158.07281	6.5
158.10846	0.8
159.08057	2.0
159.11690	12.4
161.06044	0.5
165.05493	7.0
165.06898	0.8
168.05710	0.6
168.09329	0.7
169.06474	0.6
171.07983	1.7
171.11514	0.5
172.08827	1.2
172.12447	0.7
173.05957	1.5
173.09612	4.7
173.13281	5.0
183.08069	1.3
183.11702	1.0
186.06772	3.4
186.10432	0.7
190.06371	0.5
201.09108	100.0
201.12801	4.8
201.16386	21.2
202.09444	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	201.0547
Annotation	5-Methylangelicin
Peak:m/z	Relative Intensity
53.03947	4.3
55.01881	8.2
55.05507	1.8
57.07053	2.2
57.23499	1.2
65.03944	3.8
67.05502	8.8
69.07056	4.2
71.18084	2.6
79.05506	9.7
81.03400	1.4
81.07074	8.4
91.05485	63.9
93.07039	6.0
95.04967	7.3
95.08608	8.1
103.05477	19.7
105.03388	12.2
105.04510	1.8
105.07035	46.5
107.01305	1.5
107.04975	2.0
107.08579	8.3
109.02848	1.9
109.10134	3.5
115.05462	77.3
116.06293	7.0
117.07024	92.1
119.04957	20.8
119.08586	14.0
121.10146	4.2
126.04662	1.4
127.05443	31.3
128.06232	47.0
128.90201	1.3
129.03391	2.8
129.07025	38.5
130.07817	16.4
131.04927	14.9
131.08572	26.1
132.05681	1.5
133.06490	4.3
133.10158	4.7
141.06960	6.4
142.07780	11.4
143.08572	10.5
144.05704	5.7
144.09309	5.1
145.06496	98.4
145.10132	60.7
146.06818	2.4
147.04427	14.1
147.08049	1.9
150.71271	1.3
153.06978	9.3
154.07784	2.6
155.04929	52.5
155.06076	22.9
155.08566	38.8
156.05612	1.6
157.06534	8.7
157.10162	8.1
158.07280	22.3
158.10916	2.3
159.04437	3.9
159.08092	9.9
159.11703	32.9
160.05153	3.1
164.54971	1.6
165.05522	1.5
168.05679	2.6
171.04422	3.1
171.08192	1.8
171.11665	1.9
172.08900	1.8
173.05995	100.0
173.09628	44.4
173.13216	7.5
174.06407	1.6
183.04427	14.2
183.08046	13.4
186.06770	9.6
195.95146	1.3
201.03561	2.6
201.05479	66.4
201.09138	92.0
201.12582	5.9
201.16385	27.3
202.05739	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	201.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54518	0.7
51.63136	0.7
52.73293	0.8
56.96554	2.3
58.06597	2.2
71.27007	1.9
72.99615	1.1
74.09707	2.1
74.81514	0.9
75.10072	1.2
81.48379	0.9
82.99841	7.5
84.04454	1.0
84.08134	2.8
85.02905	1.1
86.06046	1.0
87.06403	0.9
98.97580	3.7
99.08100	0.9
101.00885	60.5
102.00964	1.4
103.00620	2.1
105.00374	0.8
112.99171	1.1
113.00872	15.3
114.01004	0.9
118.96746	1.1
119.01926	100.0
120.02023	3.0
121.01643	1.5
124.02448	1.1
128.07094	1.3
128.10674	1.4
129.07420	2.0
130.74487	0.8
131.01912	43.8
132.02007	3.4
133.03499	6.6
137.02956	17.0
137.15662	0.8
142.03534	1.4
145.03482	3.7
149.02983	9.8
151.04527	2.0
155.00827	0.9
155.01868	5.1
158.99664	1.2
159.01421	2.0
159.06738	1.9
163.04509	0.9
173.02985	21.2
175.04549	1.6
175.09898	1.6
177.00998	0.9
177.02386	4.0
177.07874	2.9
177.98248	1.0
183.01439	3.1
183.03049	1.4
191.03992	10.1
201.02454	67.8
201.04070	3.1
201.07784	8.1
201.13159	2.4
202.02650	2.6
219.03519	52.7
219.08896	7.8
220.03647	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	201.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58419	0.9
56.96563	1.7
57.03441	0.9
58.06602	8.2
59.07379	2.3
69.35015	6.4
70.99843	0.9
73.02922	1.1
74.09724	7.2
75.09429	0.9
75.10050	2.7
82.99861	5.7
84.08125	0.7
84.91206	4.1
86.09715	0.9
88.28672	0.9
94.93012	1.5
98.21604	1.5
98.97591	2.9
101.00893	54.9
102.00983	1.6
113.00858	5.9
115.02425	4.2
119.01932	100.0
119.52012	0.8
120.02025	2.4
131.01927	17.4
132.02107	1.2
133.03487	39.4
134.03572	1.4
137.02972	19.3
142.03493	1.8
143.01884	0.9
145.03493	1.8
149.02986	4.7
151.04524	12.5
155.01874	2.8
157.08917	1.0
159.06798	3.5
173.02988	12.1
175.04535	8.7
175.09935	3.6
176.07771	1.0
177.02495	1.7
177.07823	9.8
178.07555	1.0
183.01393	1.5
191.02443	0.9
191.04036	5.1
192.06595	1.4
193.05696	1.8
201.00601	1.7
201.02470	25.9
201.04166	1.7
201.07854	17.9
202.07413	1.7
219.01350	1.4
219.03510	28.3
219.08931	19.1
220.03723	1.0
220.08524	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	9.5
57.03436	6.8
58.06603	15.9
58.99848	3.1
59.06942	4.4
59.07382	4.5
69.89317	17.7
70.06599	4.8
70.99863	3.5
72.08157	5.9
73.02924	3.7
74.09727	17.9
75.10049	4.9
82.99846	7.7
84.04487	3.2
84.08135	24.1
86.09732	3.3
89.00904	4.3
93.76165	3.0
95.17800	3.1
98.20798	3.5
98.97593	9.9
101.00880	51.4
103.02464	5.2
113.00907	3.7
115.02464	8.1
117.03976	3.8
119.01921	100.0
120.02028	3.4
121.01659	8.8
128.98595	3.9
131.01892	15.9
133.03476	35.7
135.03249	4.9
135.04993	3.2
137.02927	15.2
143.01906	7.5
144.99828	3.8
145.03476	5.9
145.99985	7.6
147.01393	4.8
147.05067	3.2
151.04535	11.3
157.03468	4.5
159.01404	7.1
159.06831	6.7
161.02977	16.0
169.01633	10.6
171.05098	5.4
173.02997	4.9
175.09961	6.7
177.02455	8.2
177.07838	14.6
178.02637	10.5
187.00909	7.7
189.06081	4.0
192.06592	3.6
201.00746	4.0
201.02428	14.5
201.04257	9.2
201.06073	7.1
201.07780	33.4
201.12637	3.7
219.01813	5.5
219.03627	8.5
219.08893	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	200.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44960	1.1
52.73000	1.1
55.01872	2.4
55.05503	4.1
56.05026	3.8
56.96570	8.1
57.03445	10.4
57.08210	1.0
58.06604	49.0
58.99865	2.4
59.07386	10.9
60.08171	1.6
67.05495	2.3
68.05024	2.4
69.03416	5.2
69.07077	6.9
70.06317	0.9
70.06598	9.8
70.08609	4.8
70.99841	3.9
71.04990	1.6
71.95264	1.3
72.08159	2.1
73.02908	4.4
74.09724	54.8
75.15634	1.2
77.00900	1.1
79.05481	5.2
79.64715	1.0
81.03402	1.6
81.07059	9.5
82.01456	5.9
82.06574	1.7
82.99844	3.7
83.00792	1.2
84.04502	9.4
84.08147	1.7
84.96030	1.4
85.02897	4.8
86.06077	26.9
86.09702	5.4
87.04473	32.6
95.08621	1.9
96.01639	1.2
96.08125	1.7
97.02895	1.9
97.06534	25.2
98.06044	2.5
98.09694	3.2
98.21271	2.3
98.57924	1.1
98.97594	54.5
99.04441	1.8
99.08099	10.3
100.02510	6.7
100.07616	15.0
101.00887	28.9
102.00980	4.0
102.02219	1.9
102.05516	5.9
103.00653	1.7
104.07088	4.5
108.08041	1.2
110.01251	1.9
110.06004	1.2
110.09683	1.3
110.97580	2.3
112.07591	3.7
113.00881	16.6
114.07669	2.9
114.09169	15.6
116.10677	1.8
116.98626	22.1
118.03518	2.9
119.01925	47.7
120.01998	6.3
121.01661	2.1
124.02495	1.0
124.07661	1.3
126.98771	3.8
128.02321	1.7
128.07088	21.3
128.98610	1.3
131.00925	2.0
131.01909	40.1
132.08714	1.3
133.03468	3.9
134.03555	2.2
134.99634	3.2
136.02414	1.9
136.11279	1.2
136.18254	1.0
137.02977	7.5
137.05980	4.1
138.09126	2.9
140.02312	1.7
140.07062	2.1
142.03621	1.3
142.08644	2.0
144.99809	4.0
145.03505	1.6
146.02328	2.1
146.99660	1.7
149.02925	10.5
154.03488	17.6
154.08627	4.2
154.12234	5.2
156.05081	3.4
156.08717	10.5
156.10185	5.7
157.10963	2.0
158.06647	26.3
158.07985	2.4
158.99684	3.9
159.01396	5.5
161.02852	2.7
168.01427	5.1
170.03215	1.5
172.04588	5.3
172.09660	2.0
173.02939	8.1
173.05350	3.0
174.09782	25.3
176.01003	2.1
176.07703	51.1
177.00778	5.0
177.02454	22.2
182.03027	12.3
182.11752	3.4
183.01437	1.4
191.03976	4.2
191.06427	7.2
194.02066	1.1
195.03481	4.0
197.19928	1.5
200.04099	24.4
200.07697	98.7
200.12805	25.3
201.00815	1.4
201.02446	16.1
201.07820	1.2
218.05240	3.8
218.08754	100.0
219.01695	1.4
219.03545	15.8
219.08868	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	199.1482
Annotation	Guaiazulene
Peak:m/z	Relative Intensity
53.03954	1.3
55.05517	5.8
56.96558	3.0
57.07069	2.2
57.41186	0.7
66.51874	0.7
67.05503	1.1
69.07076	5.7
70.07420	0.8
71.09573	1.2
72.04518	1.3
74.09720	7.4
79.05497	6.4
81.07053	3.0
83.08630	1.6
91.05489	8.3
93.07054	12.0
95.04976	0.9
100.07610	3.2
103.05465	1.2
105.07037	20.2
107.08585	6.9
110.32359	0.7
111.04478	1.7
115.05466	2.3
115.09496	0.7
116.97224	7.5
117.07026	1.2
119.08592	21.2
121.10172	1.1
126.09163	0.7
128.06232	12.3
129.07013	12.5
131.08607	3.8
131.99541	1.9
133.10159	1.3
134.95854	1.4
141.06958	5.1
142.07788	26.2
143.08571	46.2
144.09300	2.0
145.06511	1.1
145.10130	3.6
152.96967	1.6
153.07002	1.7
154.07742	0.9
155.05974	0.9
155.08560	9.3
156.09355	17.4
157.10135	66.6
157.97452	1.5
158.07210	0.8
158.10696	0.9
161.49435	0.7
163.05344	0.7
165.07040	1.0
166.07759	1.6
169.10143	15.0
170.10910	9.3
171.08076	2.7
171.11696	24.7
175.98531	4.5
181.10115	2.1
183.11697	1.7
184.08862	2.9
184.12494	15.3
197.13196	0.8
199.07500	3.8
199.11192	11.7
199.14839	100.0
199.18875	29.2
200.15152	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	200.077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00765	0.5
55.01844	1.0
56.05033	0.8
56.96564	4.3
57.03421	2.1
58.06600	45.9
58.32201	0.6
59.07382	12.7
61.02908	1.9
62.58542	0.5
69.03419	2.5
70.06587	1.0
70.92152	0.6
70.92484	1.0
72.08163	3.2
73.02912	4.9
74.09719	52.8
81.03445	0.7
82.01428	1.0
82.99825	1.3
83.00782	1.4
84.04476	0.6
85.02902	4.2
86.03690	1.1
86.06065	1.6
86.09705	0.7
87.04449	2.6
90.01580	0.6
94.37185	0.7
97.02882	3.8
97.06510	0.7
98.97588	16.7
99.04465	0.7
100.02456	2.1
100.07608	2.1
101.00870	13.0
104.01257	1.2
109.02869	0.8
110.01276	2.0
110.97576	1.9
111.02127	0.6
113.00871	2.7
114.07658	2.3
114.09126	0.6
116.01313	0.6
116.98615	5.5
119.01916	26.5
120.01769	0.6
122.01304	0.6
127.03858	0.8
128.02324	1.7
128.98624	1.3
131.01903	8.6
132.08701	1.6
133.03471	5.2
134.99649	1.9
137.01915	0.8
137.02927	6.5
140.02304	1.3
142.03474	0.6
143.00151	0.9
144.99821	0.8
146.02327	1.8
146.99660	0.8
149.02922	3.7
151.04492	2.0
154.03485	2.0
155.02852	2.4
156.05069	0.9
156.08705	9.9
158.06633	25.9
158.99628	2.1
159.01440	0.7
161.01317	0.8
161.02841	2.4
164.03331	0.7
168.01425	1.2
170.03360	1.4
170.99667	1.7
172.04509	1.2
172.08127	0.8
173.02957	3.1
173.05319	2.8
174.09770	23.6
175.04620	0.8
176.07689	55.0
177.00742	2.3
177.02448	3.0
177.07776	0.7
182.03140	2.1
189.00746	1.9
191.03990	2.5
191.06369	5.8
194.08710	0.8
197.11349	0.8
200.04147	4.4
200.07684	98.2
200.12808	1.8
201.00746	1.1
201.02432	8.9
201.07800	1.6
205.45451	0.7
218.08743	100.0
219.01750	1.2
219.03510	7.8
219.08934	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	199.1483
Annotation	CADALENE
Peak:m/z	Relative Intensity
53.03939	1.4
55.01869	1.0
55.05516	6.9
55.61626	0.8
56.96567	1.1
57.07066	2.5
67.05497	1.5
69.03452	0.9
69.07071	7.6
69.59615	0.7
70.07404	1.0
70.40443	2.1
72.04507	0.8
74.09727	8.0
74.18916	0.7
79.05500	6.4
81.07068	4.4
83.08614	2.5
84.08939	1.0
86.06097	0.9
89.27013	0.8
91.05489	11.2
93.07048	12.0
95.04954	1.4
95.08595	1.3
98.10490	0.8
100.07632	1.8
103.05479	1.0
105.07034	24.7
107.08601	7.8
108.45665	0.6
115.05452	6.0
116.97235	4.6
117.07008	3.1
119.08593	13.9
121.10149	2.1
122.87638	0.7
128.06232	34.7
129.07027	24.4
131.08571	6.7
131.99553	1.0
133.10165	1.4
134.95807	0.9
141.05983	1.4
141.07002	17.1
142.07791	39.9
143.08569	78.0
144.09369	3.5
145.06491	1.7
145.10130	5.6
152.06245	1.6
152.96942	1.8
153.05838	0.8
153.06978	5.4
154.07767	1.3
155.06039	2.6
155.08577	13.3
156.09360	27.1
157.06616	1.4
157.10138	83.7
158.07239	1.1
158.10735	2.6
165.07054	1.6
166.07819	2.2
169.06432	1.1
169.10120	8.4
170.10942	6.9
171.08067	7.6
171.11699	25.4
175.98595	4.2
181.10123	2.6
182.10860	0.9
184.08841	3.6
184.12440	5.9
186.50874	0.8
199.03810	1.0
199.07573	11.7
199.11198	19.0
199.14836	100.0
199.18875	31.7
200.15100	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	199.1483
Annotation	Guaiazulene
Peak:m/z	Relative Intensity
55.05511	3.1
57.93555	0.6
60.96814	0.6
67.05495	2.2
69.07075	4.7
71.11388	0.8
71.11727	0.8
74.09724	2.8
79.05502	5.5
81.07063	6.1
91.05491	8.7
93.07050	6.3
95.04977	0.5
95.08601	1.6
95.67223	0.5
100.07572	0.7
103.05466	1.1
105.07043	18.8
107.08605	3.9
115.05453	2.6
116.97179	2.5
117.07033	4.8
119.08592	10.4
128.06235	13.3
129.06047	0.8
129.07016	17.5
130.07761	0.6
131.08578	11.8
133.10127	1.6
134.95877	1.2
141.07004	3.9
142.06664	0.7
142.07787	14.7
143.08571	51.6
144.09267	1.9
145.10136	4.9
152.97015	0.6
155.06047	1.6
155.08554	4.6
156.09367	5.6
157.10146	47.5
158.10875	1.7
169.10155	3.4
170.10963	2.8
171.11703	14.2
175.98558	1.1
183.11687	0.6
184.08833	0.9
184.12527	4.0
197.13326	1.1
199.11215	2.9
199.14844	100.0
200.15182	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	199.1119
Annotation	3-Hydroxybibenzyl
Peak:m/z	Relative Intensity
51.02734	0.6
53.03943	1.1
55.01862	1.9
55.05503	2.6
67.05505	1.0
69.03426	3.3
69.07067	0.8
70.90794	2.0
74.09703	3.2
79.05481	3.2
80.98980	0.7
91.05484	4.4
93.07025	1.1
103.05460	2.0
105.07031	4.8
111.04404	0.8
115.05458	12.1
116.97215	1.7
117.07022	3.4
119.35163	0.7
128.05278	1.5
128.06227	31.8
129.07024	27.6
130.07761	2.6
131.04941	1.2
131.08568	2.4
141.06993	34.8
142.07796	30.4
143.08569	33.4
145.06512	3.7
145.10138	3.0
152.06221	3.3
153.07004	11.5
154.07755	3.3
155.06007	3.3
155.08574	21.6
156.08083	1.5
156.09361	32.5
157.06537	4.9
157.10135	54.1
158.07249	4.4
158.10439	1.3
159.08043	1.2
165.07007	17.3
166.07796	17.7
167.08463	1.2
169.06502	7.7
169.10132	4.5
170.07227	1.2
170.11003	0.9
171.06662	1.4
171.08066	16.4
171.11697	26.1
171.13168	1.4
175.98538	1.0
179.08646	0.7
181.10147	16.9
182.10497	1.1
183.08023	3.3
184.08850	19.8
199.07550	11.6
199.11195	100.0
199.14859	5.4
199.18854	10.6
200.11559	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	199.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
53.14711	0.7
55.01860	2.0
55.05489	2.4
56.52478	0.7
57.03054	0.7
65.03941	1.0
69.03426	5.7
71.50994	1.2
74.09711	3.6
79.05479	2.9
81.59084	0.7
83.08572	0.9
91.05486	6.9
93.07041	1.2
95.04945	1.3
95.97804	0.7
100.07587	1.5
103.05467	2.7
105.07056	5.1
107.04986	1.3
110.92750	0.7
115.05457	13.4
116.06244	1.1
116.97234	1.3
117.07014	3.1
121.06470	1.0
127.05409	1.0
128.06229	39.9
129.07021	28.6
130.06297	0.7
130.07845	2.1
131.04840	0.9
131.08583	3.1
141.06998	32.1
142.07797	26.6
143.08571	42.2
145.06471	4.9
145.10130	3.0
152.06197	3.3
153.06987	12.2
154.07809	5.0
155.06018	3.1
155.08566	21.9
156.05663	1.0
156.09363	36.3
157.06555	5.2
157.10138	41.6
158.07312	5.9
159.08052	1.1
165.07024	16.5
166.07800	17.3
167.08362	1.2
169.06494	8.0
169.10121	4.4
170.07214	2.2
171.08076	16.7
171.11708	26.7
179.08578	1.5
181.10141	21.5
183.08063	2.6
184.08847	21.5
185.09232	0.9
199.07556	16.4
199.11200	100.0
199.14882	4.7
199.18889	10.8
200.11520	2.1
206.40889	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1119
Annotation	3-Hydroxybibenzyl
Peak:m/z	Relative Intensity
52.62312	0.5
52.71171	0.6
53.03953	1.3
55.01875	3.0
55.05515	3.2
56.05853	0.5
57.03422	0.8
57.07071	0.8
65.03937	1.9
65.80769	0.5
68.31241	0.5
69.03431	2.9
69.07063	1.7
70.58382	1.8
72.04519	0.7
74.09737	3.7
75.90263	0.6
79.05495	4.9
81.03432	1.1
81.07062	1.4
83.08622	0.9
84.08932	0.5
91.05491	6.9
93.07040	1.7
95.04971	1.0
97.06519	0.7
100.07588	1.4
101.97216	0.5
103.05466	2.2
105.04534	0.5
105.07038	12.5
107.04947	2.3
107.08640	0.6
114.09300	0.6
115.05471	6.8
116.06195	0.7
116.97239	1.1
117.07040	3.6
119.04926	1.8
119.08575	1.5
121.06481	1.2
127.05383	1.0
128.06233	33.0
129.07018	25.5
129.07811	0.5
130.07840	2.8
131.04939	1.5
131.08592	3.5
141.06987	18.0
142.07791	20.6
143.08569	48.4
144.08925	0.7
145.06485	4.8
145.10133	4.7
146.85416	0.6
152.06143	3.0
153.07002	11.2
154.07817	3.6
155.06013	3.7
155.08563	15.9
156.05754	1.0
156.09355	31.7
157.06508	8.9
157.10139	24.4
158.07277	5.6
159.08086	1.2
165.07013	11.7
166.07799	17.2
167.08536	1.4
169.06520	8.5
169.10165	4.3
170.07213	2.7
170.10895	1.6
171.08063	21.0
171.11700	30.6
172.12073	0.8
175.98581	0.8
179.08543	1.1
181.06575	1.0
181.10129	22.7
183.08018	3.5
184.05251	0.8
184.08856	27.1
184.12506	1.3
197.09558	0.7
199.07555	20.1
199.11195	100.0
199.14830	14.5
199.18892	13.7
200.11531	2.6
204.18036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1119
Annotation	3-Hydroxybibenzyl
Peak:m/z	Relative Intensity
53.03945	1.5
55.01873	0.9
55.05508	3.4
57.07054	1.1
58.07410	0.7
61.35242	0.6
63.55733	0.6
63.74416	0.6
65.03928	1.2
67.05496	0.7
69.03443	0.7
69.07059	1.8
69.92548	0.8
71.30577	1.2
74.09713	5.4
79.05489	5.0
81.07044	1.8
83.08617	0.9
84.08951	0.8
91.05489	10.0
93.07027	2.8
95.04977	1.5
95.08593	1.0
100.07619	1.6
103.05470	2.3
105.04561	1.0
105.07042	8.2
111.04440	1.2
115.05452	7.3
116.06263	0.9
116.97206	1.2
117.07024	3.1
119.04926	0.8
119.08607	1.9
127.05405	1.2
128.06227	40.5
129.07010	67.7
130.07901	3.3
131.08595	3.5
140.04704	0.8
141.05862	0.8
141.06990	23.3
142.07782	16.0
143.08568	32.5
145.06488	2.0
145.10098	1.6
152.06184	1.4
153.06998	6.4
154.07751	2.9
155.06013	4.3
155.07216	0.8
155.08551	11.2
156.05688	1.4
156.09354	23.7
157.06503	13.8
157.10129	11.5
158.07231	1.1
165.06996	10.0
166.07782	11.4
168.05710	0.9
169.06508	2.1
169.10089	3.7
170.07309	1.4
170.10884	1.9
171.08180	4.6
171.11690	86.5
172.12091	0.9
175.98518	1.3
179.08582	0.7
181.10118	9.5
184.05197	2.6
184.08859	3.9
199.04079	1.5
199.07510	8.4
199.11188	100.0
199.14845	12.2
199.18884	23.1
200.11519	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	197.1538
Annotation	Ethyl(E,Z)-decadienoate
Peak:m/z	Relative Intensity
52.63095	0.6
53.03962	1.9
54.29790	0.6
55.01876	2.6
55.05515	6.9
57.03440	2.1
57.07083	1.5
59.05019	0.8
61.02927	0.7
63.36209	0.6
64.45684	0.6
65.03941	1.2
66.31635	0.6
67.05508	16.2
67.45750	0.5
69.03421	3.8
69.07071	13.3
69.50706	4.4
70.95869	3.7
71.05004	3.2
71.08651	1.9
72.93798	1.8
73.02940	1.2
73.19694	0.6
79.05498	16.1
81.07063	30.3
83.04997	1.8
83.08624	2.3
85.06556	6.6
86.06085	1.2
87.04458	1.0
91.05483	18.3
91.06022	1.2
93.07045	23.1
94.04221	1.1
95.04963	8.9
95.08613	28.0
97.06531	9.5
97.10187	0.6
99.08096	2.0
103.05460	0.8
105.07037	45.1
107.04966	1.9
107.08601	100.0
108.08923	1.0
109.06525	45.1
109.10159	13.2
111.08078	2.8
111.98481	4.1
115.05470	1.7
117.07023	1.7
118.07806	0.7
119.04935	1.8
119.06091	1.4
119.08586	23.0
121.06513	2.7
121.10149	19.0
123.08086	8.4
123.11716	3.1
125.05974	2.5
125.09615	7.6
127.03915	0.6
128.06291	1.1
129.99535	1.2
131.08542	2.3
132.95842	8.5
133.02898	1.2
133.06512	1.2
133.10138	53.9
134.10490	0.9
135.08089	1.1
135.11691	13.5
137.05981	7.4
137.09610	5.3
137.13264	2.2
139.07570	3.1
141.06985	1.6
143.08551	2.2
146.07295	1.1
149.09624	8.0
150.96895	6.7
150.98859	0.6
151.03896	1.2
151.07631	3.1
151.11186	15.5
151.14903	0.8
152.10707	1.4
154.07721	1.1
155.08531	2.0
155.97430	5.3
161.09636	14.9
161.13297	4.4
165.05547	0.7
167.08528	1.4
167.10689	20.7
169.10129	3.0
173.98541	5.9
179.10672	35.5
179.14209	3.7
182.10867	1.7
197.05914	2.9
197.07942	1.3
197.11694	39.7
197.13223	4.5
197.15401	3.5
198.11261	3.3
198.18535	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	199.1119
Annotation	3-Hydroxybibenzyl
Peak:m/z	Relative Intensity
55.01864	1.1
55.05515	2.8
57.93548	0.6
58.52819	0.4
67.05500	1.2
69.03413	2.3
69.07056	2.1
70.56603	1.4
72.04511	0.8
74.09722	5.8
79.05496	3.2
80.43269	0.4
81.07050	1.6
83.08619	1.7
91.05486	4.7
93.07033	1.9
95.08602	0.7
100.07626	1.1
100.85358	0.4
103.05463	1.1
105.07038	5.9
107.08577	1.1
111.04434	0.7
115.05465	5.8
116.97208	3.0
117.07044	2.7
118.28821	0.4
119.04929	0.6
119.08606	2.3
128.06229	19.3
129.03386	4.8
129.04329	0.8
129.07019	20.9
130.07755	1.4
131.08575	3.9
131.99536	0.8
134.95894	0.6
141.06996	18.5
142.07791	19.3
143.08572	39.2
144.08977	0.9
145.06509	0.7
145.10138	2.7
152.06253	2.2
152.96950	0.7
153.06996	7.5
154.07701	1.6
155.06038	1.6
155.07391	0.9
155.08565	11.0
156.09351	24.6
157.06572	2.3
157.10139	36.3
158.07268	3.0
158.10655	0.6
159.08026	0.8
165.07008	14.0
166.07790	17.1
167.08405	0.5
169.06483	6.3
169.10178	2.2
170.07286	0.7
170.10846	1.1
171.08061	5.9
171.11696	23.1
172.12059	0.7
175.98560	1.4
179.08585	1.1
181.10132	21.7
183.08051	3.2
184.07202	1.1
184.08847	16.8
184.12468	2.0
197.09631	0.8
199.07556	4.1
199.11195	100.0
199.14838	23.0
199.18892	18.1
200.11522	2.5
200.15294	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0966
Annotation	1-(2-Hydroxy-5-methoxyphenyl)-1,2-propanediol
Peak:m/z	Relative Intensity
53.00294	0.3
53.03946	1.8
53.04134	0.3
55.01873	5.0
55.05508	2.1
57.07057	0.6
57.93547	0.7
58.13227	0.3
60.40855	0.3
65.03925	0.5
65.98286	0.4
67.05489	0.7
69.03393	0.5
69.07036	1.6
70.06571	0.4
70.09989	1.6
71.04965	0.6
72.08121	1.3
74.09724	3.6
75.09097	0.3
75.94604	0.3
79.05494	3.9
79.93792	0.4
81.07037	0.7
83.08582	1.3
85.02879	0.5
86.09672	1.6
91.05486	4.7
93.03374	0.4
93.06498	0.3
93.07049	5.9
95.04985	2.0
97.02934	0.5
97.06511	0.7
98.20816	0.4
98.97559	0.4
100.07612	0.7
103.05469	7.5
105.04512	0.9
105.07011	2.2
107.04958	4.8
107.08583	1.2
109.10128	0.4
110.03663	3.9
111.04453	1.9
111.08073	0.6
113.05954	0.5
115.05431	0.5
116.97221	4.5
120.05717	0.5
121.06509	23.4
121.10120	0.7
123.04401	0.7
125.02394	0.7
128.06236	0.9
131.04915	1.1
131.99518	1.4
132.04889	0.4
134.95866	1.2
135.08064	3.7
138.03125	9.7
139.03847	0.3
140.04697	3.2
140.31099	0.3
142.07761	0.5
143.04845	0.4
143.08559	1.2
149.05988	27.8
152.96942	1.1
153.05472	100.0
154.05794	0.7
155.06975	0.6
156.05734	0.5
156.09343	0.4
157.10167	0.9
157.97510	0.7
163.07518	1.4
166.06285	0.7
171.08057	0.7
175.98535	3.1
181.08614	11.6
181.12234	0.4
184.05228	0.5
199.07605	2.3
199.09674	1.0
199.11263	1.0
199.14856	1.2
199.18903	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	197.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.1
55.01869	5.7
55.05519	24.3
57.03437	3.0
57.07075	2.9
63.84428	1.7
67.05186	2.0
67.05515	32.5
69.07077	26.8
69.59241	7.6
69.59653	4.4
70.95859	7.5
71.05002	14.6
79.05502	21.2
81.07069	68.0
83.04972	5.3
83.08627	15.6
85.06554	16.1
91.05489	22.9
93.07056	21.9
95.04991	2.0
95.08617	81.7
97.06548	29.7
97.10170	8.1
98.20842	3.9
99.08112	5.7
105.07037	24.0
107.08597	12.4
109.06530	5.6
109.10159	7.0
111.08086	5.1
111.98499	3.1
115.05470	5.1
117.07027	3.1
119.08595	32.7
121.06510	2.0
121.10124	7.9
123.08105	5.1
128.06233	6.2
129.07027	10.4
132.95836	10.0
133.10147	24.0
135.11720	25.4
137.05957	2.0
137.09587	2.4
137.13283	20.4
141.06999	30.9
143.08598	6.8
150.96919	5.8
151.11238	2.5
152.06219	4.3
153.06998	21.2
154.07794	50.8
155.08606	18.4
155.97446	5.8
161.13272	57.0
167.08571	11.1
168.05721	1.9
169.06512	3.5
169.10143	50.8
173.98537	6.3
178.07843	5.4
179.08588	17.5
179.10652	4.4
179.14352	27.0
181.06464	10.2
182.07291	36.6
182.10957	4.8
197.05966	5.8
197.09651	100.0
197.13539	11.2
197.15163	10.6
198.10005	3.0
198.18547	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	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03979	1.1
55.01910	1.5
55.05311	0.6
55.05508	3.2
57.03469	2.0
57.07119	1.3
59.05011	3.0
65.03983	1.6
67.05508	5.9
69.03480	2.0
69.07110	2.9
70.85722	1.5
70.95564	0.8
70.95863	3.1
71.05035	0.8
71.47992	0.6
72.93826	1.8
79.05498	7.2
81.07057	10.4
83.05016	1.5
85.02971	0.7
85.06583	1.0
91.05482	22.2
93.07043	24.5
95.04961	9.9
95.08598	4.2
97.06533	1.1
103.05489	1.3
105.04572	0.7
105.07035	36.9
107.05000	1.0
107.08598	72.9
109.06525	7.8
109.10164	8.5
111.04439	1.1
111.08159	0.8
111.98482	3.1
115.05433	1.0
117.07047	1.5
118.07770	0.6
119.04971	4.4
119.06099	1.4
119.08574	8.1
121.06501	7.0
121.10177	0.9
123.04438	5.9
123.08116	1.6
123.11708	3.9
125.06046	0.9
125.09644	0.7
128.06261	1.3
129.07062	1.1
131.08554	3.3
132.95836	7.3
133.10135	74.2
135.08092	1.3
135.11693	60.3
137.05989	6.9
137.09599	4.2
141.01871	1.5
141.07011	3.4
143.08578	2.4
146.07323	2.1
147.04480	1.1
150.96883	4.1
151.03877	0.8
151.07561	1.3
151.11182	6.5
153.07011	1.8
154.07816	3.1
155.08530	2.4
155.97429	4.1
156.04132	1.7
161.09628	33.4
165.05496	3.7
167.08572	1.7
167.10692	0.7
169.10123	4.4
173.98509	4.6
179.10677	100.0
181.06415	0.8
182.07269	1.6
182.10912	2.8
197.05937	1.6
197.09688	7.2
197.11716	72.3
197.13243	4.5
198.18515	5.4
200.73799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1538
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
55.01869	1.0
55.05519	4.9
56.07222	0.9
57.03436	2.9
57.07080	1.4
67.05506	6.4
69.03452	1.5
69.07071	6.5
70.95869	9.8
71.04996	3.0
71.50179	1.4
72.93803	5.4
79.05486	4.8
81.03436	1.1
81.07065	12.4
83.04972	2.0
85.06550	100.0
86.06074	3.0
88.96925	1.2
89.45770	0.8
90.94853	1.1
91.05480	5.6
93.07055	9.7
95.04966	3.7
95.08618	10.3
97.06564	5.0
99.08105	1.6
103.05466	1.3
105.03410	1.8
105.07040	36.9
107.08595	10.1
108.63915	0.9
109.06529	6.5
109.10172	6.6
111.08089	3.3
111.98491	9.8
113.96402	1.7
117.07059	1.8
119.08592	15.2
121.06528	0.9
121.10141	4.3
123.04415	1.8
123.08034	2.3
125.05971	1.1
125.09610	2.2
129.99512	2.9
132.95840	21.2
133.10126	9.9
135.11690	7.9
137.05994	4.4
137.09627	3.7
139.07559	1.4
141.07039	3.7
150.96898	16.3
151.03934	3.2
151.07545	1.6
151.11243	2.4
153.07002	1.8
154.07814	1.2
155.08577	2.7
155.97435	10.6
161.09598	2.3
161.13278	7.9
167.08559	1.2
168.13870	0.9
169.06503	1.9
169.10176	4.2
173.98479	13.8
179.07005	1.3
179.08528	0.9
179.10690	6.4
179.14360	2.8
180.06580	1.1
182.07207	1.3
182.10902	2.2
191.38797	0.9
197.06082	5.8
197.07881	1.6
197.09653	4.9
197.11736	5.1
197.13168	4.6
197.15277	1.3
198.11292	7.4
198.18550	19.2
199.75972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
52.72050	1.2
53.03941	1.5
53.35983	1.2
55.01859	2.7
55.05505	7.5
57.03421	1.5
59.04990	2.5
65.03913	1.8
67.05506	10.0
68.99789	3.0
69.03413	2.6
69.07060	4.1
70.95874	8.9
70.99673	2.9
71.04983	2.8
72.48352	1.1
72.93780	4.2
73.02925	1.8
73.52225	1.1
79.05500	8.9
81.07063	20.4
83.04971	3.3
83.08604	1.5
85.06511	2.7
91.05486	31.1
93.07048	27.4
95.04978	12.8
95.08590	5.6
95.20032	1.1
97.06523	2.6
99.04408	1.4
102.70740	1.3
105.07034	31.8
107.04957	2.4
107.08597	71.3
109.06519	18.0
109.10162	9.0
111.98483	8.7
113.02348	2.6
113.06010	1.8
115.05412	1.4
117.07029	1.3
118.07778	1.8
119.04948	20.7
119.05847	2.2
119.08569	12.1
121.06502	7.7
121.10126	2.2
123.04424	7.7
123.08055	2.6
123.11705	4.1
125.05994	6.0
127.03917	3.5
129.99553	2.0
131.08580	3.0
132.95842	16.8
133.06502	1.6
133.10133	68.4
135.08136	1.9
135.11691	53.3
137.05988	45.9
137.07076	1.7
137.09641	7.4
141.01823	15.8
141.06972	1.4
143.08528	1.6
146.07272	1.3
147.04384	7.7
150.96887	13.8
151.03897	5.1
151.07509	5.5
151.11162	7.2
155.08540	1.8
155.97453	8.4
156.04189	40.7
161.09625	36.2
162.50183	1.3
165.05475	36.6
167.08577	1.4
169.04970	2.6
169.10197	2.4
173.98503	10.7
179.07083	4.8
179.10675	100.0
182.10817	1.3
197.06020	1.3
197.08147	6.1
197.11725	64.5
197.13271	5.2
198.18539	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	197.1174
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
50.04156	0.6
52.84689	0.7
53.03954	1.9
55.01883	2.7
55.05513	5.0
57.03453	2.0
57.07080	0.9
61.02932	1.0
64.47622	0.5
65.03961	1.2
67.05510	13.8
67.05840	1.1
69.03431	3.4
69.07072	9.6
70.55320	1.3
70.55644	0.8
70.95873	2.1
71.01375	1.0
71.05013	1.6
71.08637	0.8
72.93795	1.6
73.02930	0.8
78.87418	0.5
79.05494	10.8
79.05913	0.9
81.07062	23.5
83.04991	1.1
83.08617	1.7
85.06539	5.0
88.96862	0.6
91.05486	17.3
93.06483	1.3
93.07047	21.1
94.04188	0.8
95.04968	5.3
95.08613	20.7
97.06524	7.9
99.08109	1.8
101.09631	0.6
103.05482	0.7
105.03440	0.8
105.07035	39.1
107.04985	1.3
107.08597	100.0
109.06518	30.3
109.07275	1.4
109.10155	10.7
111.04470	1.0
111.08076	1.9
111.98467	3.3
114.94830	0.6
115.05543	0.8
116.70725	0.6
117.07000	1.2
118.07818	0.8
119.04960	1.5
119.06065	1.5
119.08588	22.5
121.06497	2.8
121.09335	1.1
121.10154	15.2
121.11044	1.0
123.08091	6.1
123.11702	3.9
125.05959	1.1
125.09639	6.9
128.06253	0.9
131.08569	3.0
132.89017	0.6
132.95822	5.1
133.10135	56.0
135.08052	0.7
135.11691	11.0
137.05969	3.8
137.09634	3.8
137.13254	2.2
139.07530	3.2
141.07011	1.2
143.08533	1.7
146.07289	0.9
149.09621	7.5
150.96922	3.2
151.03812	0.9
151.07524	2.7
151.11191	16.3
154.07785	1.1
155.08504	1.5
155.97430	3.1
156.09329	0.6
161.08316	1.0
161.09612	14.1
161.13254	3.4
165.05496	0.8
167.10687	20.7
169.06419	1.4
169.10208	1.5
173.98479	4.1
179.10670	36.2
179.14160	1.4
182.10890	1.1
197.05965	1.3
197.11679	37.3
197.13171	3.1
197.15411	2.3
198.18469	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	197.1175
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03937	1.4
55.01857	2.4
55.05513	6.2
55.93497	1.0
57.03431	1.4
57.07070	2.3
59.04990	2.3
65.03934	1.3
67.05511	11.2
68.99783	1.4
69.03416	3.6
69.07062	5.5
70.95869	11.8
71.01361	1.2
71.04982	3.6
72.93795	5.3
74.29848	1.0
79.05495	10.0
81.03413	2.6
81.07062	17.0
83.04961	2.1
83.08612	1.3
85.06538	2.1
88.96900	2.3
91.05490	24.5
93.07050	26.3
95.04964	9.2
95.08172	1.0
95.08625	11.1
97.06509	3.2
99.04443	1.7
105.03425	1.5
105.07038	39.5
107.04958	1.5
107.08604	74.9
109.06534	12.5
109.10163	10.8
111.04401	1.1
111.08009	1.1
111.98484	9.1
113.06029	1.5
113.96378	1.0
114.94789	1.6
115.05479	1.7
119.04934	4.6
119.08590	12.1
121.06526	6.2
121.10135	4.3
123.04424	4.5
123.08054	4.0
123.11691	4.1
125.06023	2.1
127.03895	1.1
129.99495	3.4
131.08566	3.2
132.95848	20.7
133.02827	1.3
133.06564	1.3
133.10141	79.4
135.04430	1.1
135.08087	2.0
135.11702	51.7
137.06015	7.9
137.09596	6.5
138.06763	1.1
141.05486	1.8
141.06989	4.3
143.08540	2.7
146.07278	1.8
150.96896	16.9
151.03894	2.4
151.07549	2.6
151.11191	10.4
153.06975	1.5
154.07744	4.1
155.08521	4.0
155.10593	2.2
155.97427	11.1
156.09317	1.8
161.09639	35.7
161.13272	3.4
165.05455	4.4
165.06824	1.0
167.08565	2.4
167.10719	1.1
167.52475	1.2
169.06444	2.3
169.10181	4.4
173.98505	10.6
179.10687	100.0
179.14174	2.7
182.07280	1.0
182.10887	3.8
197.05963	4.0
197.07935	2.2
197.09706	5.3
197.11723	56.9
197.13293	7.2
198.18546	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	197.0962
Annotation	cis-Stilbene oxide
Peak:m/z	Relative Intensity
55.01871	1.9
65.03910	0.5
66.85491	0.4
69.03438	0.9
72.80480	0.5
79.05495	0.9
81.07001	0.6
91.05465	3.5
98.20700	0.9
103.05486	0.6
105.07041	0.9
107.08664	0.5
112.67220	0.4
115.05452	5.7
119.08557	0.7
127.80065	0.4
128.06229	9.3
129.07013	9.5
132.95844	0.5
137.09578	0.7
140.06274	0.5
141.06995	32.7
142.07639	0.5
143.08571	8.5
152.06212	7.4
153.06992	27.4
154.07776	57.7
155.04962	0.5
155.06123	0.5
155.08562	16.3
155.97458	0.6
156.09016	0.5
157.06474	0.7
165.07043	2.9
166.07736	1.0
167.08566	10.5
168.05693	2.8
168.09241	1.5
169.06497	6.1
169.10133	56.4
170.10489	1.0
177.06927	0.6
178.07803	5.1
179.08572	20.4
180.08946	0.5
181.05058	0.4
181.06467	11.2
181.07927	0.8
182.07275	37.1
182.10768	1.0
183.07616	0.6
195.08069	1.0
196.08897	0.9
197.09624	100.0
198.09979	1.6
198.18539	1.7
200.84798	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03940	1.5
55.01863	3.6
55.05512	7.6
57.07058	3.9
59.04985	2.7
64.16324	1.3
67.05515	10.4
68.99772	3.8
69.03425	2.0
69.07053	2.7
70.84128	2.6
70.95525	1.1
70.95870	10.0
72.93783	6.0
79.05481	9.3
81.07061	19.4
83.04990	3.4
83.08640	1.4
85.06528	3.3
91.05484	29.3
93.06488	1.7
93.07045	27.6
95.04977	14.9
95.08617	7.1
97.06528	3.1
103.05473	1.5
105.03401	2.5
105.07043	32.7
107.04964	2.1
107.08604	73.3
109.02848	1.6
109.06535	15.8
109.10179	10.1
111.04438	1.9
111.08062	1.5
111.98482	9.5
113.02371	3.9
115.05471	1.5
117.06992	1.8
118.07779	1.4
119.04954	20.0
119.05865	2.1
119.06068	1.9
119.08587	12.0
121.06515	8.1
121.10117	2.2
123.04461	8.5
123.08034	2.6
123.11704	4.1
125.05988	3.5
127.03909	2.2
129.99493	2.1
131.08568	3.2
132.94987	1.9
132.95860	19.1
133.06433	2.4
133.10143	77.2
135.08087	2.1
135.11700	56.3
137.05981	43.8
137.09593	4.6
141.01852	14.0
141.05423	2.0
141.07027	3.0
143.08583	1.8
147.04399	12.0
150.96913	17.9
151.03876	3.5
151.07535	4.8
151.11276	7.1
153.05606	1.4
153.06961	1.7
154.07739	2.3
155.03473	1.3
155.08493	2.8
155.97438	14.9
156.04189	36.1
161.09630	35.5
161.13156	1.3
165.05493	31.0
167.08495	2.2
169.05072	2.3
169.06386	2.1
169.10191	4.0
173.98506	12.0
178.67749	1.3
179.07014	3.6
179.10686	100.0
182.10884	2.6
197.08073	5.5
197.09703	4.2
197.11723	58.0
197.13258	3.9
198.18524	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	197.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07273	0.4
55.01860	1.5
65.03933	0.5
67.05504	0.5
68.38865	0.4
68.39285	0.4
69.03418	0.9
69.07050	0.4
79.05499	0.7
79.32615	0.4
81.07041	0.4
91.05483	3.7
93.06995	0.4
95.04947	0.5
95.08587	0.7
98.83010	0.4
102.56563	0.4
105.07011	1.2
107.08578	0.7
111.98495	0.6
115.05449	4.8
127.05454	0.5
128.06230	9.3
129.07019	9.8
132.95834	1.5
133.10133	0.8
135.11655	0.6
141.07004	28.9
142.07571	0.7
143.08563	7.9
150.96928	1.0
152.06190	5.1
153.07001	23.7
154.07784	52.9
155.04865	0.5
155.06039	0.8
155.08562	10.1
155.97369	0.9
157.06525	0.9
161.13312	0.4
165.06979	3.3
166.07744	0.6
167.08577	10.0
168.05737	2.4
168.09320	1.4
169.06490	4.8
169.10135	52.2
170.10420	1.0
173.98534	0.7
178.07770	6.2
178.87685	0.4
179.08565	21.4
181.06483	10.5
181.07912	0.7
182.07285	38.6
183.07681	0.6
185.29601	0.5
195.08022	1.2
196.08789	1.0
197.05981	2.8
197.09633	100.0
198.06808	0.9
198.09985	1.7
198.18565	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0963
Annotation	cis-Stilbene oxide
Peak:m/z	Relative Intensity
53.03937	0.4
55.01862	1.5
55.05513	0.5
57.07076	0.4
67.05498	0.9
68.97521	0.3
68.98566	0.4
69.03430	0.5
69.07069	1.0
70.19969	1.3
70.95871	0.5
74.16196	0.4
75.82738	0.4
79.05497	0.6
81.07053	0.4
91.05486	2.7
93.06976	0.4
95.08594	0.3
98.55621	0.3
105.07021	1.3
107.08598	0.8
109.10164	6.5
111.98463	0.6
115.05458	4.5
122.42825	0.4
127.11191	0.8
128.06230	7.0
129.07024	7.0
132.95860	1.4
133.10181	0.5
135.11674	0.6
137.09624	0.7
141.06996	28.6
142.07643	0.4
143.08563	6.3
150.96980	0.8
151.03925	0.4
151.05406	0.5
152.06203	4.5
153.06996	19.6
154.07782	43.3
155.04950	0.5
155.06113	0.5
155.08559	9.6
155.97441	0.5
157.06500	0.9
165.07045	2.3
167.08591	8.4
168.05714	2.4
168.09329	1.4
169.06505	6.3
169.10133	41.9
170.10484	0.5
173.98541	0.6
178.07805	4.6
179.08566	19.4
181.06479	7.8
181.07918	0.7
182.07281	28.1
185.34087	0.4
195.08055	0.7
196.08708	0.9
197.05997	6.2
197.09633	100.0
198.06857	1.9
198.09877	2.0
198.18588	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0811
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
51.02466	0.4
53.03936	0.7
55.01878	2.5
65.03941	2.0
67.05176	0.4
67.05515	2.2
69.58100	3.0
70.95853	1.6
72.93800	0.8
73.02923	17.7
81.07043	0.9
88.75336	0.4
88.94010	0.4
91.05481	3.0
93.03420	1.1
95.04997	1.0
105.04514	0.6
105.07024	0.6
107.04903	0.4
107.08617	0.6
108.02112	1.9
109.02852	0.6
109.06563	0.6
110.03664	2.3
111.04427	1.2
111.98479	2.2
112.01614	0.5
113.96432	0.5
119.04952	2.8
123.04446	0.8
125.05074	0.8
125.06001	14.8
132.95840	3.9
136.05145	0.4
137.06003	3.2
141.01863	0.9
141.05473	2.2
147.04376	0.7
149.05984	3.1
150.96873	2.1
151.03920	100.0
151.05031	9.6
151.07439	3.0
152.04298	1.3
155.97466	2.0
156.04187	2.2
165.05496	1.4
173.98514	1.5
179.05484	0.9
179.07042	17.2
197.03197	0.5
197.08121	4.6
198.18536	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
55.05502	2.1
55.93531	1.4
57.03442	100.0
66.20802	0.8
67.05494	3.1
67.64516	1.0
69.03411	1.6
69.07074	2.1
70.95869	10.8
71.04990	1.3
71.07092	0.8
71.39575	1.1
72.93791	5.9
73.02910	3.7
73.06515	0.8
79.05481	2.3
79.92731	0.9
81.07059	5.4
83.04996	1.7
88.96901	1.4
90.94837	1.8
91.05495	7.8
93.07049	5.1
95.04973	2.5
95.08604	4.0
97.06506	1.3
99.04453	2.1
105.07059	8.2
107.08604	33.5
108.02111	0.9
109.06513	4.5
109.10157	3.3
111.98483	9.0
113.96404	1.4
119.04967	2.8
119.08588	2.2
121.06560	1.2
121.10168	1.7
123.04422	0.9
123.08071	1.6
123.11691	2.0
125.05991	2.7
126.03213	0.8
129.99538	3.3
131.08568	1.1
132.95854	21.6
133.10143	20.9
135.11707	4.4
137.05991	6.7
137.09622	3.7
141.01781	1.7
141.05443	1.8
141.07030	1.7
147.04338	0.9
149.06073	1.3
150.96909	18.1
151.03915	17.1
151.05003	1.6
151.07568	2.2
151.11229	2.2
154.07892	1.2
155.08578	1.3
155.97446	13.6
156.04185	2.1
161.09666	6.6
165.05489	3.4
167.08574	2.0
169.06436	0.9
169.10202	1.9
173.98512	13.3
179.07007	3.8
179.08385	1.0
179.09235	1.3
179.10660	9.5
179.14307	1.5
182.11009	2.0
182.93515	1.0
194.49409	1.0
197.08136	10.1
197.09767	1.6
197.11734	13.4
197.13324	3.1
198.18578	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	197.081
Annotation	Atraric acid
Peak:m/z	Relative Intensity
51.02386	1.1
51.55888	0.8
53.03946	1.9
55.01869	2.9
55.05506	2.0
55.93526	2.3
56.96566	1.9
57.03435	2.7
65.03945	2.9
67.05505	6.3
68.05032	1.5
68.99785	5.8
69.03418	2.7
69.07072	2.0
70.06604	1.1
70.95869	21.4
70.99479	1.9
72.33865	1.0
72.93791	13.9
73.02915	2.1
79.05490	8.3
81.03425	2.0
81.07057	23.8
83.04968	1.4
83.08637	1.1
85.02908	2.7
88.96918	2.0
90.94831	2.4
91.05482	25.5
93.07049	3.3
94.04192	1.2
95.01281	1.1
95.04955	6.7
95.08611	2.2
96.04502	1.3
97.02901	1.1
97.06506	1.1
104.77163	1.0
105.04543	1.3
105.07049	4.2
107.04945	3.4
107.08581	4.9
108.05762	1.4
109.02867	1.2
109.06519	27.5
109.10162	1.3
111.04437	1.9
111.98473	22.5
113.02388	5.6
113.96410	1.9
114.94796	2.1
119.04945	48.4
119.08608	1.8
119.26505	0.9
121.10097	1.0
123.04446	12.3
123.08048	2.6
124.03938	7.2
125.06065	1.2
126.03145	1.3
127.03973	2.1
129.99506	8.2
132.95839	46.2
133.02893	1.3
133.06531	1.4
133.10150	4.5
135.04411	3.9
135.11681	3.3
137.05980	89.5
138.05487	1.2
141.01828	43.2
141.05464	1.5
147.04419	11.0
150.96895	40.6
151.03908	8.0
151.07542	8.1
151.11131	1.4
153.05437	5.5
155.03394	1.6
155.97443	29.3
155.98758	1.5
156.04175	100.0
157.04515	1.5
161.09616	3.1
162.86162	0.9
165.05481	85.7
166.05016	3.0
167.07056	1.6
168.98058	1.0
169.04967	8.9
169.10435	1.3
173.98491	30.1
173.99924	2.0
179.07063	8.8
179.10657	6.3
184.06044	1.3
197.00075	1.2
197.08113	15.6
197.09772	1.5
197.11514	4.6
198.07550	1.2
198.18536	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	195.1382
Annotation	1alpha-Hydroxyisoondetianone
Peak:m/z	Relative Intensity
53.00311	0.6
53.03963	2.6
55.01871	4.0
55.05515	6.5
55.21368	0.6
57.03456	1.6
57.07084	1.5
59.05003	0.6
65.03947	8.0
67.05500	6.4
68.99794	9.2
69.03435	3.2
69.07076	8.4
71.04989	3.9
71.50970	1.0
76.99512	0.6
77.03935	1.1
79.05498	23.9
81.03429	1.8
81.07059	19.9
81.07520	1.2
83.05010	2.6
83.08637	2.1
85.02932	1.1
85.06547	5.8
85.10220	2.2
89.03952	1.4
89.89937	0.6
91.05486	12.7
91.06023	0.9
92.06332	0.6
93.03409	9.2
93.07051	28.9
94.07391	0.6
95.04962	4.9
95.08620	8.7
97.06538	28.8
97.10185	1.8
99.08106	1.2
103.05476	30.6
105.03433	0.8
105.04534	0.9
105.07040	28.2
106.07417	0.8
107.04964	26.2
107.08601	21.8
107.09303	1.2
109.02874	0.7
109.06538	2.3
109.10168	4.7
111.04454	7.0
111.08092	3.3
115.05492	3.6
115.07840	0.5
117.03406	1.6
117.07001	3.0
119.04897	0.8
119.08582	5.8
120.05742	4.4
121.02902	1.2
121.04002	0.5
121.06509	4.9
121.10151	41.2
123.04448	1.6
123.08078	3.1
123.11713	1.3
124.05221	1.9
125.06018	2.7
125.09635	7.5
131.04947	3.6
131.08600	3.3
133.02881	0.7
133.06532	1.1
133.10149	2.5
135.04460	3.1
135.08063	57.6
135.11679	5.2
136.08331	1.2
137.06007	2.1
137.09618	4.4
137.13297	0.8
139.03911	58.7
139.07529	1.3
140.04309	0.7
144.09361	0.8
145.02844	2.2
145.06546	1.0
147.04413	1.3
147.11681	1.7
148.05193	1.8
149.05988	2.3
149.09616	2.7
149.13277	10.8
149.14374	0.8
151.07541	1.4
151.11205	0.8
152.04669	0.9
152.06261	0.8
153.05458	1.4
153.09099	12.9
153.12796	0.7
154.06256	100.0
155.06679	1.4
159.11710	6.0
161.06027	0.8
161.62791	0.6
161.64435	0.5
163.03923	2.2
163.07558	23.6
164.08292	3.4
165.05560	1.4
165.07019	2.2
165.12749	1.4
167.07066	17.3
167.08600	1.8
167.10704	0.7
168.10188	1.9
177.05486	4.2
177.09119	1.7
177.12758	11.3
180.07823	3.6
180.09349	1.5
195.02928	2.5
195.06549	5.5
195.08142	1.9
195.10158	20.9
195.11714	2.4
195.13829	11.6
195.15619	0.7
196.09703	0.6
202.30620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02391	0.7
52.35620	0.6
53.03952	4.4
55.01886	3.2
55.05515	19.3
57.03434	3.9
57.07061	1.3
59.04995	0.9
63.97301	0.6
65.03941	3.1
66.50679	0.5
67.05508	64.7
69.03458	0.9
69.07072	18.2
69.75981	2.3
69.76395	0.9
71.01351	2.0
71.04996	5.1
73.02922	1.6
77.03921	1.2
79.05495	47.8
81.02934	0.7
81.03422	16.6
81.07058	100.0
82.07383	1.2
83.04980	13.2
83.08620	11.1
83.60096	0.6
85.02920	0.6
85.06551	3.9
91.05486	42.6
92.05817	0.7
93.07047	60.9
94.41398	0.5
95.04986	6.3
95.08611	34.0
96.08965	0.7
97.06529	10.2
97.10186	0.8
99.04470	0.6
99.08103	1.7
103.05478	1.7
105.04561	0.9
105.06323	0.7
105.07036	15.0
107.04977	4.0
107.05596	0.8
107.08601	29.5
109.06538	3.3
109.10146	4.2
110.78566	0.6
111.08073	5.0
113.06020	0.7
113.09669	0.6
115.05473	2.1
116.06197	0.6
117.07018	13.8
119.06167	0.8
119.08608	3.5
121.06510	7.6
121.10147	8.1
123.04415	0.7
123.08101	1.4
123.11737	2.6
125.09539	0.6
129.06989	1.4
131.08582	13.9
133.10138	25.5
135.08057	6.2
135.11696	32.0
141.06970	0.8
147.11638	1.0
149.05986	0.9
149.09618	2.1
149.13260	18.7
151.11189	5.0
152.06227	5.0
153.06981	2.4
153.09108	1.0
154.06288	1.1
159.11688	13.3
163.07539	1.2
165.07022	9.0
166.07773	1.6
167.07207	1.1
167.08572	6.2
168.10229	0.8
168.93631	0.7
177.05478	0.8
177.12758	11.2
179.08569	1.7
180.09341	2.0
195.02951	0.7
195.06488	1.2
195.08070	8.9
195.10092	1.1
195.11760	6.4
195.13850	18.6
196.17058	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02366	1.5
52.66472	1.0
53.03934	4.3
53.76564	1.0
55.01854	3.6
55.05280	1.4
55.05513	19.3
56.96560	2.7
57.03423	3.6
57.07073	2.4
65.03922	3.8
67.05507	69.7
69.03421	3.3
69.07080	16.2
70.09635	5.4
70.81067	1.2
71.01359	3.2
71.04999	6.8
79.05497	47.6
81.03420	15.2
81.07059	100.0
82.07394	1.7
83.04989	12.3
83.08626	13.3
83.52786	1.3
85.06533	4.7
91.05486	43.6
93.07049	60.9
95.04971	6.5
95.08607	37.6
97.06544	12.9
97.10165	1.8
99.08083	1.6
103.05465	2.4
105.04517	1.4
105.07033	12.8
107.04951	4.5
107.08599	29.5
109.06519	3.6
109.10148	4.7
111.08105	6.9
117.07019	14.0
119.08561	4.5
121.06516	6.7
121.10154	7.9
123.11744	3.4
131.08563	14.6
133.10135	27.7
135.08034	4.4
135.10709	2.0
135.11699	34.1
139.03864	2.0
144.09344	1.5
145.02843	1.8
147.02788	1.2
149.09628	1.5
149.13252	19.7
151.11185	4.3
152.06163	1.8
153.09175	1.3
154.06253	3.0
159.11710	16.1
163.07629	1.2
165.06958	2.5
167.08717	1.3
177.05516	1.9
177.12750	13.5
177.16231	1.2
180.09366	1.4
195.02921	1.5
195.06494	1.3
195.08063	5.1
195.09958	1.4
195.11906	2.7
195.13783	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	195.1381
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03951	1.6
55.01865	2.3
55.05503	2.3
57.03435	0.6
57.07082	0.9
67.05508	8.1
69.03128	0.7
69.03436	6.3
69.07071	4.6
69.82951	2.8
71.04993	4.5
77.03913	0.7
79.05502	4.5
81.03410	0.9
81.07063	10.7
83.04990	0.8
83.08617	0.6
85.06530	1.7
89.03910	1.1
91.05475	7.5
93.07044	11.2
95.04975	5.8
95.08604	7.6
97.06535	1.8
99.08085	2.2
103.05473	3.7
105.07027	3.9
106.04199	1.4
107.04970	3.5
107.08603	26.4
108.08908	1.0
109.06516	4.8
109.10159	7.2
115.05457	0.6
115.25541	0.5
117.03376	1.5
117.07030	1.5
119.08590	13.0
121.06529	6.5
121.10151	11.7
123.08112	1.0
125.05967	0.6
125.09630	3.1
129.07037	0.8
131.04929	1.5
131.08533	2.4
133.10138	4.9
134.03650	0.6
135.04436	1.3
135.08067	14.0
135.10895	0.3
135.11696	20.0
137.09624	100.0
138.09958	1.1
139.07541	0.8
144.09361	1.7
145.02890	2.7
149.05994	2.8
149.09636	1.5
149.13258	7.9
151.21269	0.6
153.12708	0.6
159.11687	7.8
163.03862	1.5
177.05498	6.8
177.09077	0.8
177.12756	28.1
177.16345	1.8
178.13058	1.0
195.06557	1.9
195.08263	0.6
195.10121	1.5
195.12094	0.8
195.13829	4.0
195.15559	0.8
214.19426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.18685	1.1
53.03945	4.9
53.50153	1.1
55.01867	4.4
55.05515	17.2
57.03435	4.0
57.07073	1.4
63.94346	1.0
65.03944	5.9
67.05510	79.2
68.05853	1.3
69.03426	2.9
69.07074	19.3
71.05007	6.6
71.30055	1.4
71.30405	2.6
73.02928	1.8
77.03909	1.4
79.05497	45.8
81.03415	4.4
81.07063	100.0
83.04996	8.0
83.08620	10.6
85.02914	1.9
85.06545	8.2
91.05485	32.2
91.06029	2.5
93.07052	81.3
95.04985	7.9
95.08614	47.7
97.06536	29.2
97.10186	2.7
99.08110	3.9
103.05448	5.9
105.07035	15.7
107.04971	9.2
107.08603	40.2
109.06516	5.7
109.10188	4.2
111.04435	1.5
111.08062	7.7
113.06039	1.4
115.05450	1.5
117.03400	1.3
117.07020	14.2
119.08595	6.5
121.06520	7.1
121.10151	27.1
123.08057	2.9
123.11720	2.0
125.09639	2.7
128.06244	1.5
130.94876	1.3
131.08588	13.4
133.10132	20.1
135.04485	2.1
135.08070	13.3
135.11700	44.6
137.05995	3.4
137.09644	2.7
139.03932	7.3
139.07593	1.2
141.06972	1.4
141.96625	1.2
144.09383	1.5
145.02896	1.8
149.05991	2.7
149.09634	3.3
149.13269	33.5
149.14398	2.4
151.11234	6.2
152.06219	14.3
153.09055	2.2
154.06259	10.1
159.11723	27.6
163.03894	1.8
163.07561	1.5
165.06989	13.0
166.07758	4.1
167.07184	2.0
167.08548	17.8
177.05476	2.4
177.12756	26.9
177.16373	1.5
180.09399	4.3
195.06528	2.1
195.08102	31.1
195.10146	3.9
195.11746	7.3
195.13829	23.9
196.08292	2.0
211.21780	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03944	0.4
55.01871	1.0
55.05502	1.5
56.72591	0.4
57.07062	0.4
65.03930	0.6
67.05510	7.0
69.03435	6.3
69.03809	0.3
69.07079	2.4
71.05000	3.9
71.10432	0.7
72.94575	0.3
77.03889	0.4
79.05493	3.3
81.07064	9.2
83.05003	0.7
85.02930	0.4
85.06541	0.6
89.03941	0.3
91.05489	5.7
91.61753	0.3
93.07056	9.0
95.04981	4.5
95.08625	5.5
97.06538	1.1
103.05486	1.5
105.07034	3.5
106.04192	0.4
107.04969	2.1
107.08605	22.4
109.06510	3.8
109.10165	5.4
111.08079	0.7
117.03421	0.8
117.07024	1.9
119.08593	12.1
121.06523	5.2
121.10155	7.9
125.09615	2.4
129.07037	0.7
131.08546	2.4
133.06445	0.5
133.10147	4.3
134.03569	0.5
135.04390	0.5
135.08072	11.4
135.11700	19.1
137.09628	100.0
138.06265	0.5
138.09973	1.7
139.06560	0.6
139.07542	0.9
144.09343	1.5
145.02858	1.1
149.06020	0.8
149.09630	0.7
149.13278	7.6
159.11713	9.3
163.03891	0.7
163.07568	0.7
177.05481	2.8
177.12764	27.2
178.13051	0.5
182.44337	0.4
195.06537	0.7
195.10091	0.8
195.13821	3.9
195.15575	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03949	0.8
55.01865	1.4
55.05517	2.5
57.03437	0.4
57.07087	0.7
65.03934	0.9
67.05508	8.3
68.96257	0.4
68.99797	0.7
69.03436	7.2
69.03796	0.4
69.07078	3.4
69.87243	2.1
71.04996	4.9
76.48049	0.4
76.48524	0.4
77.03963	0.5
79.05494	4.5
81.07058	9.9
83.04990	1.5
83.08613	0.7
85.06573	0.9
89.03904	1.1
90.04096	0.5
91.05484	10.8
91.06025	0.8
93.07044	11.3
95.04991	4.8
95.08610	7.3
97.06532	1.4
103.05489	1.4
105.04530	0.4
105.07033	4.1
106.04176	0.5
107.04951	4.1
107.08602	24.8
108.08936	0.7
109.06511	4.7
109.09473	0.6
109.10166	7.0
111.04406	0.6
115.05453	0.6
117.03365	1.0
117.07007	2.1
119.04919	2.1
119.08588	14.0
121.06508	7.6
121.09326	0.9
121.10149	10.4
121.79473	0.4
123.08059	0.7
125.05931	0.6
125.09635	3.2
129.06999	0.6
131.08559	2.7
133.02887	0.7
133.10139	3.9
134.03625	0.8
135.04433	0.8
135.08064	12.6
135.11693	20.9
136.12045	0.6
137.09621	100.0
138.09947	1.3
139.07512	0.8
144.09358	1.7
145.02876	2.2
149.05942	2.6
149.09630	1.8
149.13258	7.1
151.07533	0.7
159.10458	0.7
159.11703	9.6
163.03922	0.5
163.07515	1.4
165.05469	1.9
165.06981	1.2
167.07077	1.4
167.08476	0.6
177.05466	4.1
177.12755	25.2
177.16286	0.9
180.09282	1.0
195.02907	0.8
195.06532	17.4
195.10161	1.6
195.11726	2.6
195.13811	5.3
195.15562	0.7
196.06807	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.06604	1.4
51.77705	1.4
53.03933	7.4
55.01862	5.7
55.05264	2.8
55.05513	25.0
56.96561	7.7
57.03429	6.5
57.07082	2.0
65.03926	3.7
67.05508	69.3
69.03423	2.9
69.07065	18.7
70.06603	1.8
70.30057	6.9
71.01343	2.4
71.05003	8.2
77.03932	2.0
79.05498	62.1
81.03421	29.7
81.07059	100.0
83.04986	27.6
83.08617	11.0
85.06537	5.5
89.03948	2.2
91.05484	36.2
92.29048	1.5
93.07044	80.0
94.07377	1.9
94.32995	1.8
95.04966	10.7
95.08617	40.9
97.06537	14.6
98.20794	2.2
101.06004	2.3
103.05483	2.4
105.04510	3.0
105.07037	18.2
107.04929	4.7
107.08579	28.3
109.06518	6.1
109.10149	4.9
111.08060	5.3
117.03373	2.1
117.07012	16.7
119.08585	3.9
121.06525	12.0
121.10162	9.6
123.08073	1.7
123.11689	1.7
131.08557	18.7
131.27933	1.7
131.96101	2.4
133.10138	17.7
135.08034	8.3
135.11696	33.3
139.07602	2.3
145.02841	2.7
149.05968	2.6
149.09648	4.5
149.13280	23.2
151.11154	2.3
152.06200	2.8
154.06343	3.1
159.11694	18.0
165.06987	5.3
167.07051	3.3
167.08545	4.7
167.70120	1.6
168.10217	2.8
174.51935	1.8
175.08878	3.9
177.05460	4.7
177.12700	12.4
180.09317	5.0
193.72871	1.6
195.06448	2.5
195.08109	5.3
195.10083	2.6
195.11725	9.8
195.13809	22.6
195.15536	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	195.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06604	1.4
51.77705	1.4
53.03933	7.4
55.01862	5.7
55.05264	2.8
55.05513	25.0
56.96561	7.7
57.03429	6.5
57.07082	2.0
65.03926	3.7
67.05508	69.3
69.03423	2.9
69.07065	18.7
70.06603	1.8
70.30057	6.9
71.01343	2.4
71.05003	8.2
77.03932	2.0
79.05498	62.1
81.03421	29.7
81.07059	100.0
83.04986	27.6
83.08617	11.0
85.06537	5.5
89.03948	2.2
91.05484	36.2
92.29048	1.5
93.07044	80.0
94.07377	1.9
94.32995	1.8
95.04966	10.7
95.08617	40.9
97.06537	14.6
98.20794	2.2
101.06004	2.3
103.05483	2.4
105.04510	3.0
105.07037	18.2
107.04929	4.7
107.08579	28.3
109.06518	6.1
109.10149	4.9
111.08060	5.3
117.03373	2.1
117.07012	16.7
119.08585	3.9
121.06525	12.0
121.10162	9.6
123.08073	1.7
123.11689	1.7
131.08557	18.7
131.27933	1.7
131.96101	2.4
133.10138	17.7
135.08034	8.3
135.11696	33.3
139.07602	2.3
145.02841	2.7
149.05968	2.6
149.09648	4.5
149.13280	23.2
151.11154	2.3
152.06200	2.8
154.06343	3.1
159.11694	18.0
165.06987	5.3
167.07051	3.3
167.08545	4.7
167.70120	1.6
168.10217	2.8
174.51935	1.8
175.08878	3.9
177.05460	4.7
177.12700	12.4
180.09317	5.0
193.72871	1.6
195.06448	2.5
195.08109	5.3
195.10083	2.6
195.11725	9.8
195.13809	22.6
195.15536	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	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.01598	1.9
53.03942	8.7
55.01877	5.8
55.05521	24.5
57.03444	9.3
57.07084	3.1
57.16820	2.0
61.81576	1.7
63.51394	2.3
63.78803	1.8
65.03933	5.9
67.05511	86.2
68.96335	2.0
69.03428	6.8
69.07073	21.5
70.12160	2.4
70.12490	7.4
71.01344	3.1
71.04995	8.5
77.03914	2.7
79.05499	66.5
81.03417	20.8
81.07064	100.0
83.04987	39.3
83.08619	10.2
85.06554	6.6
89.03947	2.1
89.06020	3.8
91.05488	41.8
93.07050	92.7
93.07643	4.5
95.04961	15.6
95.08611	61.3
96.59460	1.9
97.06534	19.5
99.08105	2.2
100.94874	1.8
103.05496	2.7
105.07035	22.0
107.04962	9.5
107.08600	37.9
109.06545	10.2
109.10162	8.7
111.04456	2.0
111.08073	6.4
111.08787	1.8
115.05458	2.0
117.03394	3.3
117.07017	21.7
119.08609	6.6
120.85341	1.6
121.02874	2.1
121.06494	11.9
121.10131	15.6
123.08080	2.6
123.11736	2.2
125.06015	3.2
125.09637	2.2
131.08582	19.5
133.10120	17.8
135.08061	12.0
135.11694	39.9
137.09618	3.0
139.03961	4.1
145.02831	5.9
147.11662	3.5
149.05977	4.3
149.09627	5.6
149.13292	24.6
152.06171	3.5
153.09074	2.3
153.12799	3.0
154.06290	6.9
159.11707	24.0
160.99933	1.9
163.03876	3.1
163.07607	2.0
165.07008	21.3
166.07706	3.2
167.07100	4.3
167.08600	8.7
168.10162	4.3
171.98907	3.0
172.98785	2.0
177.05479	12.5
177.12805	16.3
179.08562	3.6
180.09271	19.0
195.02931	5.6
195.08037	12.6
195.09993	3.6
195.11719	30.7
195.13829	28.5
195.15645	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03934	5.8
55.01867	4.4
55.05511	14.5
56.96572	2.2
57.03439	4.3
57.07059	3.6
59.05016	1.6
65.03932	5.1
67.05506	58.1
68.96338	2.5
69.03417	4.2
69.07070	16.5
70.82429	4.5
70.82791	1.6
71.01334	4.9
71.04985	5.2
79.05494	42.7
81.03419	10.2
81.07060	100.0
83.04981	15.4
83.08623	11.8
85.06536	5.2
85.23917	1.7
89.03909	4.2
89.06041	3.6
91.05486	29.2
93.03389	2.6
93.07049	65.0
95.04967	11.2
95.08611	43.0
96.08939	1.8
97.02858	1.8
97.06538	13.5
97.10175	1.5
99.08089	2.3
103.05464	5.5
105.07030	16.6
107.04964	9.9
107.08601	34.5
109.06510	5.9
109.10148	5.5
109.98959	1.7
111.04468	4.2
111.08070	9.8
115.05496	2.5
117.03400	7.6
117.07020	12.7
119.08577	3.3
121.06514	9.5
121.10170	15.9
123.08038	3.1
125.09670	1.9
129.06967	2.9
130.96313	2.7
131.08559	11.9
133.10127	13.4
135.04430	3.5
135.08089	14.3
135.11687	37.6
137.05952	2.3
137.09593	2.5
139.03894	5.6
139.07559	1.6
139.11154	2.0
145.02829	11.0
147.11638	1.8
148.97319	1.7
149.05965	7.5
149.09634	5.2
149.13271	26.7
149.97173	3.3
150.09070	2.0
151.11159	3.3
152.06233	8.5
153.05606	2.0
153.06970	8.2
153.09055	3.7
153.97882	1.7
154.06277	10.3
155.08556	4.5
159.11702	24.7
163.03889	5.2
163.07483	2.7
165.05609	4.0
165.07011	71.9
166.07724	5.0
167.03406	1.6
167.07013	4.8
167.08545	15.0
168.10225	8.2
171.98932	2.9
177.05501	19.9
177.06935	3.1
177.08945	1.4
177.12738	22.6
178.07724	2.8
179.08557	10.5
180.07738	3.0
180.09351	58.7
193.10068	2.2
195.02901	12.9
195.06500	8.9
195.08081	17.9
195.10201	6.3
195.11682	90.2
195.13770	19.2
195.15668	4.8
196.09651	1.7
196.11943	2.5
196.16949	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1018
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.03943	1.6
55.01865	3.1
55.05496	0.8
57.03445	1.4
62.72940	0.6
65.03948	7.5
65.79255	0.7
67.05510	1.3
68.99792	3.1
69.83687	2.9
78.61381	0.7
79.05498	10.7
81.07051	1.9
83.04959	1.1
85.02897	1.2
91.05499	5.8
93.03407	8.6
93.07047	2.3
95.04958	2.8
97.06563	1.0
103.05477	32.7
105.03378	1.0
105.04527	1.1
105.07037	28.2
107.04308	1.3
107.04967	18.6
107.08605	1.6
111.04452	6.3
115.05498	1.8
117.07019	1.1
120.05754	3.9
121.06532	2.5
121.10161	2.3
123.04412	1.0
123.29346	0.7
124.05157	0.9
125.05972	1.9
125.09602	0.9
131.04938	2.5
133.06528	1.1
135.08060	69.9
137.06001	1.4
139.03911	69.2
147.04425	1.4
148.05186	2.4
149.05940	1.0
153.09116	3.8
154.06255	100.0
155.06792	1.0
163.07553	24.1
164.08356	5.2
165.05452	1.2
167.07047	22.8
177.05452	1.1
180.07846	4.5
180.17641	0.9
190.29578	0.8
195.06769	1.1
195.10184	23.9
199.75728	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.9458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38041	6.4
56.78320	6.2
70.79154	15.4
83.06908	6.5
94.93020	100.0
116.06801	6.2
126.96957	6.9
128.70786	7.3
194.94614	17.2
204.08330	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
53.48074	0.4
55.01878	2.7
55.05518	1.3
56.01796	0.5
57.03426	0.9
61.27345	0.5
65.03940	8.6
67.05502	1.4
67.18985	0.4
68.99783	0.7
69.03429	1.0
69.07054	1.0
69.65904	3.2
71.04985	0.7
77.03936	1.1
78.04697	0.8
79.05498	13.2
79.76650	0.5
81.03432	0.6
81.07063	2.3
85.02930	1.0
85.06532	0.8
91.05488	5.8
93.03413	10.2
93.07045	4.5
95.04983	3.1
95.08611	1.0
96.02120	0.7
97.06549	1.4
103.05473	34.9
105.03352	0.7
105.04564	0.6
105.07039	30.8
106.04170	0.5
107.04964	20.2
107.08583	3.5
109.06512	0.9
110.03651	0.6
111.04448	7.0
115.05473	2.5
117.07030	2.4
119.04921	0.9
119.08536	1.0
120.05717	4.6
121.06504	3.1
121.10139	4.1
123.04440	1.2
124.05206	1.5
125.06003	1.9
125.09700	0.5
131.04907	3.4
131.08578	0.7
132.05769	0.6
133.02876	0.6
133.06500	1.9
133.07574	0.5
134.03618	1.4
135.08064	71.2
135.11728	1.6
136.08385	0.9
136.12041	1.2
137.05946	1.6
139.03909	76.9
139.07503	2.5
145.06508	0.9
147.04448	1.1
148.05200	2.0
149.05971	1.8
149.13306	1.0
151.03937	0.8
151.07515	0.7
152.04715	0.6
153.05424	1.2
154.06258	100.0
155.06635	1.6
159.11714	2.1
161.05983	1.1
163.07559	22.8
164.08342	4.2
165.05429	1.7
167.07054	22.2
167.10689	0.5
177.05478	1.0
177.12758	1.6
180.07834	4.8
180.09299	0.7
195.06621	3.1
195.10181	22.3
195.11682	1.2
195.13669	2.4
195.17502	0.7
213.83829	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.01870	4.8
55.05514	32.9
57.03429	3.4
57.07076	8.7
59.04987	2.3
60.32893	2.2
65.03944	3.6
67.05179	2.9
67.05511	43.6
69.03434	18.6
69.07073	29.0
71.05022	8.6
77.03948	1.9
79.05505	28.3
81.03424	36.7
81.07063	50.9
83.04987	32.3
83.08623	22.0
85.06541	5.9
87.08092	2.1
91.05485	33.6
93.07049	33.7
95.04967	22.6
95.08613	66.8
97.06532	8.6
97.10172	4.5
99.08099	5.9
101.85034	1.8
103.05489	9.0
104.06264	2.2
105.04530	3.1
105.07040	87.4
107.04961	3.3
107.08601	57.3
109.06519	34.3
109.10168	78.8
111.04443	4.8
111.08090	10.3
115.05459	10.7
117.07038	3.9
118.04189	3.4
118.38499	1.7
119.04949	3.3
119.08591	81.8
121.06538	1.8
121.10152	36.6
123.04417	2.6
123.08073	47.0
123.11721	14.6
125.09652	3.7
129.07007	5.7
131.08575	7.0
132.05679	2.3
132.69586	2.2
133.02875	13.2
133.06494	34.0
133.07463	3.8
133.09134	2.7
133.10139	66.4
135.08058	11.7
135.11702	81.7
137.05984	10.0
137.09634	35.1
138.10405	3.5
139.03923	6.3
142.07802	3.3
145.10132	3.8
147.04433	2.4
147.08055	5.7
147.11700	42.8
149.02367	3.7
149.09634	4.1
149.13278	19.2
151.03957	2.6
151.07544	9.4
151.11179	15.7
151.14830	8.6
157.10138	4.2
161.06024	25.9
165.09120	2.3
165.12759	9.1
165.16472	2.1
170.18268	2.0
175.03889	2.3
175.07582	6.1
175.11179	12.3
175.14836	43.6
178.02625	6.3
178.06351	2.6
193.04980	40.3
193.08580	35.8
193.10132	2.2
193.12288	20.9
193.15906	100.0
204.67883	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
55.05512	7.8
57.07060	2.1
63.53707	1.3
67.05493	6.5
69.07078	23.4
70.06027	3.3
70.06419	3.3
71.05002	15.3
72.28683	1.5
79.05486	6.1
81.07072	19.4
83.08609	2.1
85.06561	12.2
91.05469	8.8
93.07053	23.6
95.04975	33.3
95.08617	14.8
97.10188	9.2
99.08094	4.2
105.07043	10.3
107.08605	31.2
109.06530	100.0
109.10168	12.5
111.08097	6.2
111.11745	2.9
119.08593	25.7
121.10174	8.0
123.08080	6.1
123.11736	16.2
133.10146	18.9
135.11708	31.6
137.09613	10.9
147.11697	4.2
149.13272	8.0
150.93964	1.5
151.11209	5.8
162.64305	1.4
175.14845	35.2
193.04990	2.5
193.15897	50.0
194.15530	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.9982
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08153	18.2
68.55566	11.0
69.35600	14.8
69.35938	100.0
72.57909	10.4
84.52220	12.2
86.06059	20.2
94.93027	96.0
98.20829	30.7
98.21494	17.9
116.07093	30.2
134.08141	27.9
141.27467	12.5
147.42130	14.2
148.07573	12.6
166.63499	13.0
193.99820	32.3
194.08147	16.2
194.10005	14.4
194.13974	20.0
201.01312	12.1
208.02577	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	193.159
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.82228	1.0
51.02384	1.6
53.03941	3.4
55.01869	4.3
55.05517	10.5
57.03421	1.0
57.07073	2.1
59.05000	1.4
61.04423	1.0
65.03931	2.2
67.05513	13.4
69.03435	5.6
69.07076	9.1
70.21501	0.9
70.62444	2.6
71.05006	7.7
79.05501	25.3
81.03433	12.0
81.07065	24.4
82.07373	1.0
83.04988	13.5
83.08620	4.0
84.30623	0.9
85.06535	4.2
91.05483	30.7
93.06483	2.1
93.07056	31.7
95.04985	17.1
95.08614	21.1
97.02920	1.0
97.06532	13.0
99.04461	1.7
103.05488	7.5
105.04504	1.8
105.07043	100.0
106.07355	1.9
107.04948	2.6
107.08607	29.5
109.06529	15.7
109.10165	10.6
111.04382	2.3
111.08092	3.3
113.06071	1.3
115.05460	10.3
117.07031	5.8
118.04158	4.4
119.04939	2.1
119.08593	46.6
121.06533	7.1
121.10181	9.8
123.08071	12.6
123.11721	4.9
129.06996	3.3
131.04965	1.6
131.08572	4.8
133.02841	4.4
133.06512	35.7
133.10146	70.7
134.10483	2.0
135.07126	1.7
135.08078	22.3
135.11702	23.1
137.05991	9.1
137.09650	7.4
137.13303	1.3
139.03897	4.3
142.07762	3.6
143.06049	4.1
145.10115	2.9
146.07353	1.3
146.97433	1.4
147.04425	1.7
147.08084	6.1
147.11700	47.4
148.12068	1.5
149.02274	1.6
149.09612	5.2
149.13281	1.9
150.06805	1.6
151.03981	1.0
151.07596	8.8
151.11192	7.4
157.10139	7.6
160.05258	1.3
160.08891	1.5
161.06001	30.2
165.06972	1.9
165.09103	2.2
165.12759	9.9
175.07631	2.1
175.11203	23.9
175.14828	23.0
178.02615	2.7
193.03311	1.9
193.04997	18.3
193.08586	22.6
193.10265	2.2
193.12274	21.1
193.15886	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	193.159
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.02386	0.9
53.03946	4.9
53.48291	1.0
55.01881	5.9
55.05516	25.1
57.03420	3.4
57.07063	1.9
59.04990	2.1
65.03933	3.9
66.04713	2.5
67.05180	1.5
67.05511	24.2
69.03429	8.5
69.06480	1.1
69.07076	14.1
69.25829	2.7
69.26245	6.4
71.05000	7.1
77.03931	2.0
79.05499	30.0
81.03422	17.6
81.07064	33.5
82.27641	0.9
83.04996	21.9
83.08617	6.9
85.02927	1.5
85.06529	3.9
89.03917	1.9
90.04735	1.1
91.05492	29.8
92.06273	2.0
93.06488	1.6
93.07049	24.2
94.04221	2.0
95.04986	14.0
95.08614	31.6
97.02882	1.1
97.06526	6.9
97.10192	2.1
98.97618	1.6
99.08093	7.5
103.04820	1.3
103.05473	16.4
104.06245	2.4
105.03381	2.4
105.04506	1.7
105.07042	92.0
106.07395	1.3
107.04964	8.9
107.08604	25.1
109.02884	1.2
109.06522	11.6
109.10164	32.7
111.04359	1.3
111.08083	4.1
115.05461	13.2
116.06229	1.3
117.07020	3.1
118.04169	16.6
119.04924	3.4
119.08595	45.8
120.05714	1.7
120.74930	1.0
121.06523	5.1
121.10159	11.9
122.03681	5.3
122.07278	3.1
123.08065	13.4
123.11706	9.4
124.05177	1.5
125.09664	2.9
129.07018	2.8
131.04933	2.5
131.08562	3.1
132.05721	2.3
133.02869	39.4
133.06505	65.7
133.10139	29.3
134.07271	1.8
135.04454	5.0
135.08060	5.5
135.10716	1.3
135.11702	22.7
137.05984	19.1
137.09628	16.1
141.49422	0.9
143.04955	1.5
143.06055	3.8
145.10158	1.8
147.04413	3.2
147.08046	4.2
147.11696	15.8
148.05237	1.2
149.02400	7.8
149.03458	1.8
149.05994	8.7
149.09627	1.5
149.13278	9.2
150.03107	4.2
150.06776	15.3
151.07539	3.6
151.11168	5.9
151.14827	3.1
157.10089	3.9
161.06006	40.0
165.05484	5.0
165.06793	0.9
165.09146	14.7
165.12735	2.4
165.16449	1.3
175.07584	4.2
175.11282	6.8
175.14847	31.2
177.05391	1.3
178.02626	26.8
178.06223	2.1
193.04980	100.0
193.08614	30.4
193.12318	6.7
193.15886	50.3
194.05325	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	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03934	6.3
55.01860	8.1
55.02095	1.8
55.05278	2.5
55.05515	35.2
55.66377	1.6
57.03412	3.8
57.07072	8.1
59.04992	2.7
65.03938	5.7
67.01875	1.8
67.05511	52.9
69.03438	17.5
69.07077	24.4
71.04986	5.8
71.29887	3.1
79.05492	33.5
81.03426	97.9
81.07063	53.0
83.04991	42.5
83.08624	24.2
83.54501	1.6
85.06528	7.0
87.08082	2.1
91.05488	35.7
93.07050	32.4
95.04977	47.0
95.08614	66.6
95.87230	1.7
97.06525	5.2
97.10172	6.8
99.08109	2.4
103.05469	6.9
105.07038	74.8
107.04971	11.6
107.08604	51.6
109.06525	30.0
109.10163	87.4
111.04440	3.2
111.08109	13.5
115.05468	9.0
117.07021	4.2
118.04163	4.1
119.04945	2.8
119.08591	77.2
121.06526	4.7
121.10154	40.5
123.08079	56.3
123.11694	15.0
125.09608	3.2
129.07010	7.1
131.04906	3.0
131.08580	11.1
133.02846	9.9
133.06502	30.9
133.10138	55.0
135.08099	2.2
135.11700	78.0
136.11928	1.9
137.06070	8.4
137.06944	2.0
137.09636	39.7
138.10388	5.5
139.03905	3.2
142.07747	2.0
143.06041	3.5
145.10091	3.5
146.36481	1.5
147.04422	2.0
147.08032	7.3
147.11690	17.6
148.07500	2.1
149.02298	1.7
149.09645	6.1
149.13272	18.1
150.01338	3.8
150.64604	1.5
151.07518	4.8
151.11188	18.6
151.14850	10.1
157.10094	7.2
161.06007	24.6
163.07504	2.4
165.09103	3.6
165.12773	3.1
165.16385	4.5
173.13272	1.9
175.11201	5.9
175.14832	41.0
178.00830	5.8
178.02663	5.2
178.06256	2.3
193.03227	10.4
193.04991	41.6
193.08569	15.4
193.12282	15.0
193.15901	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03941	2.0
55.01863	2.0
55.05515	16.6
57.03417	1.0
57.07076	1.0
58.10070	0.8
65.03947	1.0
67.05192	0.8
67.05508	9.9
69.03436	2.0
69.07081	7.3
70.77006	1.3
70.77328	1.3
71.04990	1.1
73.43223	0.9
77.03928	1.7
78.82967	0.9
79.05498	8.9
81.03426	6.3
81.07060	15.6
83.04992	20.0
83.08616	3.1
85.06547	1.1
89.03947	0.9
91.05041	0.8
91.05493	8.3
93.07065	6.0
94.04193	1.2
95.04979	4.8
95.08620	10.3
97.06556	1.9
99.08076	1.2
103.05438	4.9
105.03381	1.0
105.07043	28.6
107.08592	6.4
109.06548	4.2
109.10166	13.6
111.08065	1.9
115.05470	5.1
118.04168	3.3
119.08591	11.6
121.06473	1.4
121.10154	3.4
122.03635	5.0
123.08072	3.2
123.11703	2.0
125.09616	1.1
128.62886	0.8
129.07021	1.3
133.02873	40.2
133.06505	21.2
133.10129	10.9
135.11682	6.1
137.05995	13.3
137.09625	9.7
137.13199	1.2
143.06059	1.7
147.08044	1.1
147.11725	4.8
149.02373	2.0
149.05980	3.0
149.13252	2.5
150.03113	3.8
151.11247	1.8
151.12543	0.9
157.10213	1.0
161.06000	17.4
162.06441	1.1
165.05511	5.9
165.09085	1.4
175.11272	1.2
175.14838	8.1
178.02623	22.5
180.78659	0.8
193.04985	100.0
193.12216	2.7
193.15996	8.6
194.05281	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	193.159
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.88270	2.2
53.03938	7.3
54.08552	2.2
54.49141	1.9
55.01871	5.4
55.05271	3.2
55.05519	48.0
57.03447	2.5
57.07071	8.6
65.03939	2.6
67.05511	39.8
69.03423	9.4
69.06730	3.4
69.07075	44.9
71.05003	13.3
71.08636	2.4
71.39722	2.9
77.03889	2.0
79.05506	36.7
81.03413	5.7
81.07070	54.5
83.04990	53.4
83.08646	14.3
85.06532	9.5
85.56196	2.3
91.05492	23.5
93.07056	36.3
95.04967	11.9
95.08620	62.1
95.47823	2.0
97.06522	7.4
97.10183	3.8
99.08099	7.7
103.05522	11.3
103.06054	2.4
105.07043	84.1
106.07381	2.4
107.08610	61.4
109.06532	22.1
109.10172	87.5
111.08094	7.6
111.11718	4.2
115.05447	10.1
117.06972	3.4
118.04150	8.3
119.08595	76.4
121.06506	4.3
121.10165	31.1
123.08081	33.0
123.11733	18.4
125.09650	4.6
129.06963	3.3
131.04918	3.0
131.08533	4.9
133.06508	41.9
133.10141	83.2
135.08054	6.2
135.10701	4.6
135.11710	89.7
137.05975	3.7
137.09636	42.4
143.06021	2.9
147.08022	2.7
147.11708	16.8
149.05927	2.7
149.13281	10.5
150.06758	5.2
151.07443	3.2
151.11232	10.7
151.14822	4.4
161.06004	39.4
162.06386	2.4
165.09082	3.3
165.97850	2.2
175.11250	4.8
175.14848	83.0
193.04973	9.0
193.08614	18.0
193.12242	6.0
193.15897	100.0
214.56308	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	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03936	3.8
55.01860	3.0
55.05516	44.5
57.07079	2.7
59.05001	1.9
60.78303	0.8
67.05179	1.5
67.05511	19.9
68.44868	0.8
69.03413	2.8
69.07076	21.8
70.78500	2.6
71.05001	4.8
71.05340	0.9
76.71836	1.0
79.05079	1.3
79.05499	20.4
79.77111	1.0
81.03432	7.6
81.07062	50.9
83.04985	100.0
83.08610	4.3
85.06541	4.2
89.54227	1.0
91.05484	9.9
93.07046	17.9
95.04980	9.5
95.08612	26.9
97.06547	4.7
97.10152	2.3
99.08097	1.7
103.05502	1.4
105.07038	18.8
107.08599	23.1
109.06525	13.8
109.10162	32.6
111.08094	7.0
111.11683	1.5
112.47671	0.9
115.05466	2.1
117.07041	0.9
119.08583	25.2
121.06496	1.2
121.10139	9.8
123.08072	12.6
123.11704	8.2
125.09644	2.2
129.07072	1.2
131.08598	2.0
133.06470	6.8
133.10139	21.5
134.06015	1.2
135.11694	23.0
137.06010	2.4
137.09628	19.5
146.81743	0.9
147.11668	3.4
149.09561	1.0
149.13237	4.0
150.10559	0.9
151.11153	3.3
157.10080	1.0
161.05971	4.4
175.14839	23.0
193.04976	26.0
193.08614	2.2
193.12218	2.8
193.15895	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.13952	0.4
53.03941	1.0
54.16676	0.4
55.01882	0.8
55.05510	6.6
57.03413	0.6
65.03937	0.6
67.01857	2.7
67.05505	5.2
68.99773	1.5
69.03423	0.7
69.07066	2.9
70.62080	1.0
71.02717	0.5
71.04984	0.7
75.94683	0.4
79.05493	5.0
81.03423	8.7
81.07059	8.8
82.42742	0.4
83.04982	11.4
83.08602	1.5
85.02898	2.4
85.06548	0.9
91.05486	4.6
93.07047	4.0
95.04967	5.0
95.08608	5.4
97.06519	0.8
99.08078	2.0
103.05479	0.7
105.07034	9.3
106.93475	0.4
107.04950	1.2
107.08599	4.0
109.06528	2.9
109.10163	5.5
111.08080	1.2
112.58070	0.5
115.05459	1.1
117.07027	0.8
118.04143	0.7
119.08587	6.2
121.06506	0.9
121.09304	0.4
121.10146	2.6
122.06955	0.5
123.04391	0.8
123.07243	0.5
123.08073	2.2
123.11682	1.0
125.06004	2.0
125.65195	0.5
127.03924	0.7
129.07005	0.5
131.08589	0.9
133.02852	0.7
133.06502	5.5
133.10126	5.4
135.08109	0.6
135.11700	4.1
137.05977	3.5
137.09641	3.6
147.04395	2.0
147.06230	0.6
147.08044	1.0
147.11697	2.1
149.09657	0.5
151.03922	1.7
151.07561	0.6
151.11211	0.9
153.01822	3.0
157.10091	0.8
161.06010	3.3
165.05478	0.7
165.08022	0.6
169.04938	1.2
175.03845	0.6
175.07539	0.6
175.11218	1.4
175.14853	4.4
175.50548	0.5
178.02661	1.7
193.04970	100.0
193.11247	2.6
193.15891	5.0
194.05273	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	193.1589
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
50.45966	1.8
53.03945	4.1
55.01871	3.5
55.05516	33.7
55.63578	2.0
57.07083	6.4
58.71535	1.9
59.78925	1.6
67.05511	24.4
67.44926	1.8
69.03422	4.4
69.07076	25.9
70.65149	4.9
71.05012	3.0
77.96692	2.0
79.05498	17.7
81.03427	9.4
81.07066	43.9
83.04988	65.1
83.08609	5.8
84.80904	1.7
85.06564	3.7
91.05488	18.4
93.07053	17.3
95.04968	9.7
95.08070	2.8
95.08619	37.3
97.06541	4.5
105.07044	31.8
107.04932	2.6
107.08604	20.4
109.06525	9.5
109.10165	38.3
111.08072	5.3
111.75485	2.3
115.05438	3.5
117.06999	3.4
118.04157	2.3
119.08591	73.7
121.10157	13.2
123.08073	11.0
123.11723	7.8
131.08583	3.1
133.06500	13.2
133.10143	80.9
133.17268	1.8
134.74657	2.2
135.11705	31.6
137.05984	2.6
137.09622	20.5
145.10161	5.7
147.11714	22.9
149.13255	9.5
151.11237	2.4
151.14896	4.5
160.12486	4.0
160.95096	1.8
161.06007	9.3
175.07573	2.5
175.14842	100.0
176.15179	2.5
193.04913	5.0
193.08554	5.3
193.15919	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	193.1226
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03952	9.2
55.01879	7.4
55.05518	13.4
55.38925	1.0
57.03433	2.9
64.60403	0.9
64.93824	1.0
65.03937	3.6
67.05511	34.0
68.05841	0.9
69.03419	4.0
69.07076	7.3
70.01361	2.7
70.01752	2.2
71.04984	4.4
77.03928	1.4
79.05501	37.9
81.03426	100.0
81.06593	1.6
81.07061	24.9
83.04971	8.1
83.08630	11.7
85.02905	1.3
85.06537	2.8
91.05491	52.2
93.07056	25.4
95.04980	46.2
95.08622	7.7
97.02905	3.3
97.06512	5.4
97.10175	1.9
103.05469	4.5
105.04518	1.6
105.07042	52.2
107.04955	10.8
107.08610	8.4
109.06526	7.2
109.10140	5.8
111.04444	1.6
111.08066	3.1
115.05467	7.7
117.07041	2.4
118.04214	1.3
119.04976	2.1
119.08599	28.5
121.06520	3.8
121.10186	6.0
123.04425	1.6
123.08079	4.1
123.11753	1.5
128.06210	1.3
129.07022	15.3
131.04927	1.1
131.08583	15.0
133.02870	4.4
133.06508	20.7
133.10144	46.7
135.08051	1.4
135.11681	3.4
137.05998	4.0
137.09615	3.8
142.07828	5.1
145.10167	2.1
147.04391	1.6
147.08061	8.0
147.11716	24.8
149.09654	11.3
151.07564	2.4
151.11151	1.7
157.10133	14.1
160.08871	1.1
161.06012	13.2
165.05519	1.4
165.07011	2.0
165.09198	1.1
165.12807	1.0
175.07588	1.1
175.11211	22.7
175.14841	5.2
178.02602	2.8
193.03268	1.7
193.04997	14.7
193.08577	12.2
193.10197	1.8
193.12267	25.7
193.15909	4.9
201.50418	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1226
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03949	1.4
55.01877	2.3
55.05511	7.0
56.96553	2.4
57.03431	0.6
57.07071	1.2
59.04993	0.9
65.03941	2.1
67.05510	12.2
68.99806	0.6
69.03418	2.0
69.07069	5.2
69.75605	0.7
71.04990	2.3
71.09971	1.6
74.92460	0.7
77.03944	1.3
79.05501	16.5
81.03417	3.7
81.07065	31.7
83.04996	4.6
83.08629	1.0
85.06546	1.6
91.05490	22.2
93.06482	1.3
93.07054	19.6
95.04980	8.7
95.08607	13.1
97.06544	8.1
99.08045	1.0
103.05466	1.2
105.07040	49.7
107.04974	1.6
107.08606	20.9
109.06525	14.2
109.10164	8.1
111.04442	3.0
111.08076	1.5
115.05431	1.6
117.07043	3.8
119.04967	1.9
119.08590	38.1
120.45891	0.6
121.06550	3.5
121.10146	7.7
123.04442	1.2
123.08078	12.0
123.11711	3.1
125.06018	0.8
127.07545	4.3
128.10364	0.7
129.07014	2.3
131.08630	3.1
133.02872	1.5
133.06476	5.4
133.10141	18.2
135.08075	12.8
135.11676	2.0
137.05997	8.1
137.09607	1.4
137.13257	1.3
139.03934	4.5
142.07806	2.7
145.10114	3.2
146.97424	1.2
147.04410	0.8
147.08083	2.3
147.11699	100.0
148.12064	1.9
149.02301	1.5
149.09683	1.0
149.13246	3.6
150.10391	0.6
151.03828	0.7
151.07562	4.6
151.11195	3.9
157.10120	3.8
160.08713	0.7
161.05997	2.0
165.09113	1.2
165.11420	1.3
165.12778	24.0
175.03831	1.0
175.07532	2.5
175.11200	18.1
175.14828	2.4
178.02574	1.4
178.06169	0.9
178.07716	0.8
193.03241	1.4
193.04968	10.3
193.08517	10.3
193.10139	2.5
193.12259	24.9
193.14114	1.4
193.15858	4.1
193.17471	0.6
194.15446	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
54.29430	0.2
55.01871	0.4
55.05507	0.6
59.04986	0.4
62.88084	0.2
63.30706	0.3
65.03936	0.6
67.05518	1.4
69.03441	1.8
69.07061	1.1
70.96571	0.5
71.04979	0.5
79.05499	4.2
81.03423	1.2
81.07063	7.0
81.07535	0.2
83.04985	0.7
85.06549	0.6
91.05486	2.7
93.07052	1.0
95.04964	0.9
95.08608	1.1
97.06568	0.5
103.05482	0.7
105.07036	6.3
105.07698	0.5
107.04955	0.6
107.08601	1.0
109.02987	0.3
109.06528	7.9
109.10169	0.7
115.05466	0.9
117.07070	0.3
118.04190	0.4
119.08585	2.6
121.06483	0.3
121.10169	0.6
123.08055	0.7
127.85303	0.3
130.69402	0.2
131.08588	0.3
133.02875	0.4
133.06494	4.6
133.10170	1.4
135.08049	0.7
137.05986	100.0
138.06317	1.0
142.07761	0.4
143.06052	0.3
147.04509	0.3
147.08049	1.6
147.11673	1.6
149.09628	0.4
151.07547	1.6
151.11234	0.3
151.77275	0.3
157.10147	0.8
160.08946	0.4
161.06006	3.9
165.09137	0.3
165.12802	0.4
175.04007	0.3
175.07628	0.3
175.11205	1.4
175.14780	0.4
178.02641	0.7
185.24489	0.3
193.04982	3.1
193.06622	0.3
193.08517	1.8
193.12308	4.8
193.15907	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1226
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03938	2.0
55.01867	2.2
55.05268	0.6
55.05514	7.2
57.03414	0.7
57.07056	0.6
64.90147	0.5
65.03935	1.4
67.05138	0.5
67.05503	10.5
69.03445	2.6
69.07064	3.6
70.29852	1.6
71.04984	2.1
71.51847	0.4
77.03914	0.5
79.05058	0.9
79.05494	9.6
81.03423	15.8
81.07062	9.1
83.04983	3.0
83.08621	2.9
85.06536	2.8
91.05487	26.3
93.07051	12.1
95.04967	9.0
95.08610	8.7
97.06509	1.2
97.10173	0.5
99.04427	0.6
99.08097	7.0
99.71306	0.6
103.05473	4.5
104.06249	1.3
105.07038	43.0
106.07361	0.8
107.04961	1.6
107.08603	9.2
109.06522	3.5
109.10159	9.2
111.08080	1.3
115.05453	4.4
117.07019	5.4
118.04193	2.6
119.08586	100.0
121.06523	1.5
121.10136	6.5
123.04415	0.7
123.08073	2.6
123.11726	1.6
128.06223	0.5
129.07011	2.1
131.04971	0.6
131.08539	2.8
132.09326	1.4
133.02846	3.4
133.06508	13.3
133.10136	11.6
135.08089	1.4
135.11699	5.9
137.06018	2.4
137.09624	5.5
142.07803	1.2
143.06030	1.3
145.06497	0.6
145.10107	2.3
147.08044	2.5
147.11696	43.5
148.12122	0.6
149.02367	1.9
149.06085	0.7
149.09578	3.0
149.13255	1.1
150.03055	0.7
151.07565	1.2
151.11180	1.4
157.10168	2.9
160.05276	0.7
160.08885	1.2
161.05998	12.2
165.05429	0.7
165.09131	1.5
165.12746	4.5
175.04013	0.5
175.11205	12.3
175.14798	4.6
178.02551	2.2
193.04964	9.8
193.08582	6.8
193.12260	15.5
193.15887	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	193.1225
Annotation	Sedanonic acid lactone
Peak:m/z	Relative Intensity
53.03704	0.2
53.03934	0.7
55.01884	0.3
55.05505	0.8
56.00969	0.2
57.03437	0.4
59.05004	0.5
65.03940	0.4
67.05509	1.1
69.03435	1.5
69.07057	1.3
70.53989	0.3
70.54314	0.6
71.05008	0.3
79.05495	4.4
81.03415	1.6
81.07056	7.5
82.92713	0.3
83.04987	0.4
83.08604	0.3
85.06540	0.3
91.05492	2.8
91.66834	0.2
93.07045	1.3
95.04971	0.9
95.08630	1.1
98.21458	0.2
103.05460	1.1
105.07036	6.6
107.04955	0.5
107.08597	0.9
109.06522	8.0
109.10175	0.5
110.88827	0.2
115.05459	1.5
117.07046	0.4
118.04173	0.6
119.08597	2.5
121.06514	0.3
121.10157	0.3
123.08053	0.6
129.06976	0.4
131.08624	0.4
133.02902	0.6
133.06505	4.1
133.10146	2.0
135.08086	0.8
137.05984	100.0
138.06319	1.1
142.07755	0.5
143.06078	0.4
147.08076	1.5
147.11682	1.3
149.09615	0.5
151.07573	1.9
151.11118	0.6
157.10172	0.4
160.08864	0.3
161.06009	3.4
165.12810	0.6
169.65579	0.2
175.07552	0.5
175.11183	1.4
175.14850	0.4
178.02597	0.7
193.04984	2.5
193.06638	0.3
193.08553	1.5
193.12303	4.2
193.15916	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1226
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03950	4.3
55.01875	8.2
55.05511	8.9
57.03444	2.6
58.33922	1.4
64.64497	1.6
65.03935	3.2
65.30945	1.4
67.05511	50.0
69.03438	4.3
69.07072	14.2
71.04996	5.2
71.49905	1.5
73.02866	1.5
79.05501	43.9
81.03428	3.9
81.06592	2.6
81.07065	51.2
83.05012	8.5
83.08614	2.5
85.06550	3.9
87.93768	1.5
91.05490	100.0
93.07053	30.4
95.04977	20.4
95.08612	18.5
97.02899	7.2
97.06538	25.1
99.08096	2.3
103.05439	2.1
105.07041	60.8
107.04942	10.7
107.08607	9.8
109.06528	21.0
109.10162	4.8
111.04446	4.7
111.08071	1.6
113.06019	8.9
115.05477	4.1
117.07029	2.6
119.04927	2.6
119.08589	49.6
121.06526	3.4
121.10160	9.3
123.08066	7.5
125.06022	3.0
129.07016	24.7
131.08586	21.5
133.02888	2.8
133.06490	9.2
133.10138	69.3
135.11676	2.5
137.05995	5.5
137.09607	4.1
139.03912	8.5
142.07794	5.6
145.10089	2.1
147.08086	7.8
147.11700	84.9
148.12053	2.0
149.02341	4.7
149.09641	20.3
151.07582	7.2
151.11237	2.4
157.10149	51.1
161.05980	2.5
165.05486	1.8
165.09245	3.0
165.12787	9.7
175.11205	75.4
175.14812	3.6
178.02586	2.0
193.04997	12.9
193.06734	2.2
193.08554	19.5
193.10333	3.3
193.12263	47.8
193.15952	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	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
50.52907	0.9
51.02375	1.2
53.03952	10.0
55.01861	3.5
55.05515	8.2
56.46638	0.9
57.03440	1.2
65.03940	3.1
67.05509	30.7
69.03439	1.3
69.07083	6.2
70.42833	3.2
70.43180	1.3
71.05001	9.0
75.95493	1.1
77.03905	2.5
79.05502	53.1
81.03424	27.2
81.07063	28.6
83.05002	5.9
83.08630	3.8
85.06548	2.9
91.05486	100.0
92.53796	1.0
93.07050	89.0
95.04971	21.1
95.08631	5.0
97.06503	2.2
97.72340	1.1
105.04525	4.0
105.07040	48.2
107.04961	4.2
107.08613	4.1
109.06511	6.0
111.04445	4.5
111.08060	1.6
114.67057	1.1
115.05479	3.1
117.07050	2.4
119.04947	2.6
119.08594	21.5
121.06513	2.3
121.10153	2.0
123.08104	2.5
129.07010	19.8
131.08575	22.9
133.02824	2.2
133.06496	7.5
133.10138	87.4
134.10480	1.5
135.08041	1.6
137.05962	6.3
137.09641	1.7
139.03906	9.3
142.07825	4.7
145.10098	2.0
147.04433	2.4
147.08049	7.5
147.11696	22.8
149.02374	1.4
149.09636	2.7
151.03960	1.2
151.07533	10.0
157.10139	16.7
157.11343	1.8
161.06006	2.8
165.05515	1.2
165.09073	1.3
175.07600	1.9
175.11195	15.6
175.14888	1.4
177.79520	1.0
178.02623	1.6
178.06256	2.0
178.07687	1.0
185.98753	1.4
193.05003	14.0
193.08592	19.7
193.10181	2.0
193.12274	18.4
193.15973	2.7
209.11980	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03967	0.4
53.52529	0.2
55.05513	2.3
58.15823	0.2
65.03954	0.4
67.05518	2.2
69.03426	0.5
69.07075	1.8
70.91290	0.3
70.91638	0.5
77.03918	0.3
79.05495	2.9
81.03439	0.5
81.07064	3.7
81.07468	0.3
83.04967	0.3
85.15425	0.2
87.04478	0.5
91.05486	7.9
93.07053	5.2
95.04998	0.7
95.08617	1.8
97.06535	0.4
103.05497	0.5
105.07038	30.0
107.05007	0.3
107.08603	5.9
109.06520	1.0
109.10175	0.6
110.22065	0.3
113.76151	0.3
117.06992	0.6
119.08592	26.3
121.10149	1.4
123.08096	0.9
123.11702	0.4
127.82502	0.3
129.07042	0.3
131.08595	0.7
132.09380	0.3
133.06508	0.3
133.10190	1.2
135.11703	0.4
137.06010	0.4
137.09605	0.3
145.10133	1.5
146.97508	0.3
147.11696	100.0
148.12003	2.2
149.13271	3.0
151.07535	0.3
153.97577	0.2
157.10178	0.4
161.05835	0.3
165.12764	5.7
175.11238	1.6
175.14854	0.7
178.07826	0.5
193.05061	1.1
193.10138	1.3
193.12247	8.6
193.15907	1.0
194.15399	0.4
204.90680	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0862
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.02390	0.7
53.03948	3.4
55.01880	4.6
55.05519	4.4
56.96574	1.1
57.03450	0.9
59.04989	0.8
65.03954	1.8
66.04745	1.1
67.05516	9.8
69.03429	3.3
69.07076	3.7
69.78428	2.7
71.05000	2.6
77.03947	0.9
78.04728	0.5
79.05500	18.8
81.03423	11.7
81.03865	0.9
81.07066	10.1
83.01345	1.0
83.04996	2.8
83.08634	2.1
85.06564	2.7
89.03919	1.2
90.04731	1.3
91.05492	16.0
92.05818	0.5
93.07057	7.6
94.04211	0.6
95.04977	10.5
95.08609	7.3
97.02880	0.7
97.06543	3.0
98.21503	0.8
98.97604	3.2
99.08117	1.3
103.05473	17.2
104.06258	1.5
105.03448	1.0
105.07041	100.0
106.06629	0.6
106.07384	1.4
107.04983	3.6
107.06944	0.7
107.08600	6.9
109.02888	0.7
109.06534	5.5
109.10135	4.2
111.08084	0.8
115.05470	21.8
116.06244	0.5
116.98661	0.8
117.07021	1.4
118.04173	12.9
119.04970	2.0
119.08599	15.1
121.06514	3.3
121.10149	4.7
123.04445	2.4
123.07213	0.9
123.08064	4.0
123.11715	1.4
129.07045	2.6
131.04924	4.2
131.08565	2.3
132.05731	3.1
133.02882	3.0
133.06508	82.8
133.10136	11.0
134.06822	1.8
135.04558	0.6
135.08076	9.9
135.11699	3.4
136.07579	0.6
137.05997	8.9
137.09616	4.3
142.07767	1.7
143.04945	1.7
143.06039	9.5
145.10158	1.1
146.03654	5.1
146.82800	0.5
146.97438	0.8
147.04448	0.9
147.06372	1.2
147.08078	4.7
147.11705	8.8
149.02388	1.3
149.05997	1.6
149.09599	1.7
149.13286	1.2
151.03961	1.1
151.07561	2.9
151.11151	1.9
157.10161	2.7
158.99692	0.7
160.05208	1.3
160.08836	0.9
161.05998	79.6
162.06375	1.9
163.03906	1.4
165.04248	0.8
165.05440	3.8
165.06714	0.5
165.09143	1.8
165.12793	6.6
169.99095	0.5
175.03911	0.7
175.07571	3.3
175.11223	5.8
175.14876	3.3
177.00778	0.6
178.02678	1.9
178.06261	8.9
191.25389	0.5
193.03358	0.7
193.04970	13.4
193.08589	20.2
193.12408	9.9
193.15977	5.4
194.08189	1.2
194.15433	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0862
Annotation	3,4-Dimethoxycinnamaldehyde
Peak:m/z	Relative Intensity
53.03956	0.7
55.01879	0.6
55.05510	2.2
56.96562	0.7
57.03445	0.4
57.78128	0.3
61.93885	0.3
65.03940	0.8
67.05502	2.2
68.99796	1.8
69.03430	1.2
69.07042	0.3
70.51566	0.7
70.51929	0.7
71.05028	0.5
71.35413	0.3
79.05489	2.5
81.03419	0.9
81.07049	2.0
83.05003	1.0
91.05478	2.5
93.07043	1.4
95.04978	1.9
95.08615	4.7
103.05487	0.5
105.07030	4.4
107.04958	0.6
107.08615	0.8
108.05744	0.6
109.06514	1.6
109.10163	0.6
110.29972	0.3
111.04449	24.1
117.06980	0.4
119.08585	3.6
121.06490	0.7
123.04420	1.9
123.08070	4.9
124.05206	0.5
125.06003	0.4
129.07007	0.8
131.08456	0.3
133.02873	0.7
133.06502	2.0
133.10146	1.4
137.05988	9.8
139.03909	55.4
140.04282	0.7
145.30070	0.3
147.08066	1.3
147.11696	5.0
149.02399	1.9
149.05994	0.5
151.03946	6.4
151.07550	38.4
152.07918	0.6
161.06084	0.3
165.05501	0.6
165.09134	3.6
175.07538	3.3
175.11293	0.4
175.14812	0.5
177.05467	3.9
178.02763	0.4
178.06288	8.9
178.07822	1.1
193.05064	3.2
193.08612	100.0
193.10011	3.5
193.15875	0.9
194.08936	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0862
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03944	2.1
55.01876	5.5
55.05515	1.0
57.03447	1.2
58.12026	0.5
59.94176	0.5
65.03938	1.5
66.04718	0.7
67.05521	2.4
69.03445	1.7
69.07071	1.4
69.60423	0.9
69.60830	2.4
71.91472	0.6
77.03938	1.4
79.05495	14.1
81.03417	3.1
81.07062	3.9
83.01337	1.2
83.04974	2.2
83.08616	0.8
85.02907	0.7
85.06528	0.7
89.03918	1.4
90.04691	0.7
91.05486	10.5
91.06020	0.9
93.07066	2.7
94.04194	0.7
95.04972	4.3
95.08622	2.7
95.09167	0.5
97.06528	0.6
98.20771	1.1
98.97604	0.8
103.04796	1.2
103.05473	14.9
104.06277	1.4
105.03421	1.2
105.07037	100.0
106.07360	1.2
107.04933	1.5
107.06907	0.7
107.08565	3.3
109.06522	3.3
109.10178	2.3
115.05464	21.3
117.07040	0.8
118.04166	10.5
119.04970	1.1
119.08584	5.7
121.06479	1.3
121.10151	0.9
122.03677	3.7
123.04429	1.1
123.08078	1.6
123.11697	0.7
129.07024	0.8
131.04950	3.8
131.08563	1.2
132.05714	1.7
133.02870	19.8
133.06499	76.9
133.10110	4.9
134.06862	1.8
135.08063	1.5
135.11613	1.0
137.05983	12.3
137.09615	1.0
143.04956	1.5
143.06024	7.7
145.06493	0.7
146.03606	0.5
147.04443	1.5
147.08061	2.3
147.11699	3.2
149.02293	1.0
149.05992	2.1
149.09607	0.8
150.03128	2.6
151.07559	1.3
151.11220	1.3
157.10172	1.2
161.05991	79.4
162.06412	2.0
165.05522	3.7
165.09081	0.9
165.12845	0.7
175.03911	1.2
175.07651	1.4
175.11201	2.6
175.14838	1.1
178.02612	12.4
178.04045	0.9
178.06227	1.2
193.04982	50.0
193.06654	1.7
193.08565	12.5
193.12289	4.2
193.13785	0.7
193.15916	1.9
194.05315	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0498
Annotation	Scopoletin
Peak:m/z	Relative Intensity
53.03933	1.4
54.04271	0.5
55.01864	1.2
55.05273	0.7
55.05514	10.2
57.07060	1.0
59.04984	0.7
65.03946	0.7
67.05193	0.6
67.05512	6.9
69.03427	1.0
69.06786	0.4
69.07076	4.6
70.69733	1.7
71.04990	1.2
77.03918	0.6
79.05499	5.1
81.03425	4.2
81.07061	9.3
83.04984	12.3
83.08612	1.5
85.06558	1.1
89.03915	1.4
91.05492	4.7
93.07041	4.4
94.04186	1.5
95.04974	3.2
95.08607	5.6
99.08081	1.4
103.05465	1.2
105.03365	1.6
105.07038	13.4
107.08599	4.3
109.06553	2.7
109.10155	8.8
111.08062	0.8
115.05465	2.0
117.03461	0.5
118.04134	1.9
119.04968	0.5
119.08598	8.1
121.10159	2.2
122.03654	6.9
123.08068	2.9
123.11700	1.8
129.07019	0.7
131.08542	0.9
133.02863	45.8
133.06503	9.9
133.10130	5.9
135.08038	0.7
135.11710	4.3
137.05988	13.1
137.09608	5.9
140.09398	0.5
143.06087	0.7
147.07977	0.7
147.11745	2.8
149.02315	1.6
149.06021	2.7
149.13229	0.8
150.03145	4.0
150.06786	0.7
151.11205	1.0
161.05986	8.4
164.66042	0.5
165.05493	4.8
165.09109	0.8
165.12625	0.5
175.14883	4.3
178.00998	0.7
178.02618	26.2
193.04974	100.0
193.08511	3.4
193.12196	1.6
193.15880	7.7
194.05305	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1796
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03937	2.9
55.01885	1.0
55.05514	25.6
56.96557	1.9
57.07069	5.2
59.88481	1.1
65.03938	2.3
67.05508	27.8
69.03429	3.3
69.07072	25.1
69.55915	2.4
69.56316	3.3
71.04981	1.5
77.03902	1.5
79.05072	1.6
79.05496	23.3
81.07062	72.9
83.01341	2.5
83.04983	2.5
83.08627	13.6
91.05478	17.2
93.07050	54.7
95.04961	3.6
95.08611	100.0
97.02911	1.5
97.06532	1.8
97.10174	12.8
98.21516	1.7
99.08044	0.9
103.05455	3.9
105.03413	1.1
105.04531	0.9
105.07034	15.3
106.03020	0.8
107.04961	2.0
107.08599	56.5
108.08902	1.0
109.06499	3.3
109.10162	49.5
111.11718	3.4
115.05459	2.0
117.07021	7.0
119.04939	12.3
119.05875	1.4
119.06026	1.3
119.08569	7.2
121.06512	14.3
121.10151	53.4
123.08071	1.4
123.11708	7.9
129.06987	3.3
130.07790	1.3
131.04930	2.0
131.08574	9.0
133.10150	6.3
135.04399	1.7
135.08066	19.4
135.11699	63.4
136.12048	1.0
137.05963	3.4
143.08563	2.2
145.06477	4.1
145.07559	0.9
145.10123	10.3
147.04422	2.4
147.08009	2.6
147.11661	3.3
148.05214	1.4
149.05971	4.1
149.09592	4.2
149.12077	1.2
149.13264	17.9
155.08601	1.0
158.07268	1.7
160.05064	3.3
161.06007	2.0
161.09604	1.7
162.06758	2.3
163.07565	7.3
163.11154	6.4
163.14809	3.5
173.06027	1.9
173.09647	5.2
173.13237	7.7
176.04620	1.3
176.08383	2.9
191.03416	3.5
191.07011	10.3
191.10684	33.6
191.14328	27.5
191.17955	49.2
192.11148	1.1
192.13989	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	191.1796
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03938	3.2
53.29215	1.1
53.94685	1.4
55.01865	3.3
55.05275	2.3
55.05515	27.6
56.96584	6.0
57.07061	5.7
65.03925	3.4
67.05510	22.1
67.81725	1.4
68.99776	1.6
69.03440	8.5
69.06732	2.0
69.07070	25.3
70.47429	1.6
70.47778	3.9
71.04980	3.4
72.17780	1.2
75.89041	1.3
77.03934	1.4
79.05496	27.5
81.03414	1.9
81.07063	31.6
81.95806	1.4
83.01328	5.9
83.04975	3.4
83.08618	18.1
85.06541	1.6
91.05486	31.0
93.07047	55.1
95.04988	7.2
95.08611	55.5
97.02885	4.3
97.06538	2.0
97.10183	17.0
98.20910	1.4
99.04445	1.8
103.05461	7.0
105.03294	1.4
105.07032	31.8
106.07354	1.5
107.04921	7.5
107.08600	78.3
108.08910	1.8
109.06530	7.1
109.10167	47.8
111.04433	1.7
115.05460	9.4
116.06217	1.3
117.07031	21.7
118.04147	2.8
119.08582	12.3
121.06512	49.0
121.10146	68.2
122.06832	1.9
122.10460	1.7
123.04424	1.4
123.08051	4.3
123.11714	11.0
128.06203	2.6
129.06996	3.9
130.07788	5.3
131.04901	5.8
131.08580	21.9
133.02855	1.5
133.06465	3.8
133.07541	1.4
133.10136	11.9
135.04361	3.6
135.08066	30.7
135.11696	74.8
136.12096	2.1
137.05995	9.0
143.08568	5.4
145.06529	11.6
145.10141	28.2
146.05975	1.7
147.04443	2.4
147.08025	3.5
147.11739	7.2
148.05177	2.9
149.05995	10.7
149.09639	10.1
149.13266	19.5
155.08551	3.0
158.07262	4.7
158.10925	3.5
160.05063	3.9
161.05992	6.6
161.09608	3.1
162.06752	5.6
163.03920	2.8
163.07547	21.1
163.11188	15.0
163.14832	4.5
168.04341	1.9
173.05974	5.4
173.09604	11.2
173.13248	11.3
176.08379	10.1
191.03398	6.3
191.07024	22.9
191.10680	100.0
191.14314	51.2
191.17946	62.9
201.83411	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1796
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03950	2.7
55.01869	2.0
55.05513	20.0
57.07075	3.3
65.03945	1.3
67.05509	19.1
69.03434	1.8
69.07066	38.9
69.14821	5.9
69.15241	8.0
71.41061	1.6
79.05495	19.2
81.07061	23.0
83.04943	1.5
83.08622	17.8
89.25191	1.2
91.05492	16.2
93.07047	59.7
95.04973	2.8
95.08610	92.0
96.41385	1.3
97.10162	9.5
105.07024	14.4
107.04964	2.4
107.08598	69.2
109.06515	2.3
109.10165	44.0
111.11707	2.0
117.07009	4.6
119.08588	3.9
121.06524	10.2
121.10146	92.4
122.10542	1.3
123.08072	3.1
123.11719	9.4
129.06932	1.7
130.07809	1.3
131.08582	7.0
133.10127	5.5
135.08061	8.2
135.11699	64.2
137.05936	2.0
145.06461	1.8
145.10132	11.9
147.11681	5.0
149.05984	1.4
149.09610	3.0
149.13258	17.1
160.05118	8.7
163.07552	3.2
163.11159	4.5
163.14896	1.8
173.09561	3.9
173.13251	7.0
176.08316	3.8
191.03365	2.1
191.06990	3.5
191.08841	2.4
191.10638	24.5
191.14342	23.2
191.17955	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	191.1796
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03939	2.8
55.01865	2.8
55.05272	1.8
55.05516	27.9
57.07063	5.0
65.03936	1.9
67.05508	29.5
69.03435	8.0
69.07076	29.2
70.37980	4.0
71.05004	6.8
77.03882	1.9
79.05070	2.2
79.05501	33.2
81.07064	73.3
82.07398	1.6
83.01337	4.5
83.04971	2.5
83.08625	15.0
85.06556	2.2
91.04913	1.7
91.05482	32.3
91.38117	1.3
93.07051	65.0
95.04977	8.6
95.08614	100.0
97.02890	4.0
97.06523	5.1
97.10176	15.0
99.08105	1.5
103.05479	15.7
105.03385	2.3
105.07038	34.8
107.04981	10.1
107.08602	79.6
108.08931	2.0
109.06521	8.6
109.10164	54.8
111.04456	1.6
111.08097	1.5
111.11761	4.0
115.05453	11.2
116.06184	1.7
117.07036	18.6
118.04176	5.2
119.04964	3.2
119.08575	14.6
120.05715	1.3
121.06513	60.7
121.07391	3.1
121.10152	68.8
123.04453	3.4
123.08063	6.7
123.11717	9.1
128.06264	1.9
129.07040	4.4
130.04156	3.4
130.07790	5.6
131.04939	10.7
131.08583	25.1
133.02841	4.1
133.06453	4.3
133.10158	19.9
135.04405	2.4
135.08072	45.7
135.11700	68.3
136.12054	1.4
137.05989	11.5
143.04898	1.6
143.08568	5.6
145.06544	8.5
145.10133	39.2
147.04401	2.8
147.08034	3.4
147.11702	10.7
148.05180	5.8
149.05978	17.4
149.09630	8.5
149.13284	20.3
150.14560	1.4
155.08543	1.9
158.07285	5.7
158.10936	4.5
160.05075	1.7
161.06003	5.1
161.09697	2.6
162.06735	4.9
163.03903	4.7
163.07556	32.5
163.11214	15.9
163.14842	4.6
163.32800	1.2
173.06013	8.1
173.09599	13.8
173.13278	17.0
176.04657	5.6
176.08337	10.4
191.03435	14.1
191.04996	1.8
191.05319	2.1
191.07047	23.1
191.10686	95.4
191.14314	46.1
191.17950	52.1
192.11046	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	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
50.16757	2.2
50.48754	2.1
53.03952	4.6
54.28959	2.4
55.01878	3.1
55.05512	27.5
56.05054	3.0
57.07069	9.8
61.84341	2.3
67.05507	23.1
68.05003	3.1
69.03417	3.4
69.06727	4.1
69.07068	49.8
69.34928	2.6
71.50966	3.6
73.45942	2.4
74.09728	12.2
79.05493	32.1
81.07057	25.8
83.06097	4.0
83.08629	24.5
83.51910	2.2
84.90616	2.2
91.05480	20.7
93.06487	4.1
93.07050	75.4
95.04989	4.1
95.08614	79.1
97.10179	8.1
103.05460	9.4
105.06503	2.5
105.07057	25.4
107.04988	3.5
107.08603	87.2
108.05581	4.1
108.81516	2.3
108.90458	3.2
109.04004	3.7
109.07668	4.6
109.10157	72.0
109.18737	2.3
111.87136	2.4
115.05447	11.3
117.07027	4.5
118.06590	2.7
119.04998	2.6
119.08579	9.3
121.06478	11.2
121.10152	89.6
122.07173	2.9
122.10444	2.7
123.11698	6.5
131.08565	5.8
133.06445	5.0
133.10133	5.7
135.08093	24.3
135.11703	100.0
145.06403	2.8
145.10149	5.6
147.11674	3.7
148.05258	3.5
148.08740	2.7
148.12445	3.6
149.06015	3.7
149.08217	8.6
149.09563	2.4
149.13269	47.6
150.10286	6.3
158.07242	3.0
160.05022	16.2
161.05933	3.4
161.07135	5.7
163.07516	4.8
163.11165	7.4
163.14836	3.2
173.09622	7.6
173.13127	4.3
176.04663	5.6
176.08260	5.3
177.07919	3.2
191.07034	94.3
191.08850	5.8
191.10625	43.7
191.12817	4.1
191.14333	24.0
191.16153	5.4
191.17949	99.9
192.10130	5.7
192.17424	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	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01875	1.9
55.05511	5.3
55.93303	0.7
57.07061	1.0
59.04995	1.0
59.32340	0.7
65.03949	1.0
67.05509	17.4
67.92673	0.8
69.03438	5.1
69.07066	7.3
69.38233	6.1
71.05002	14.6
79.05497	10.1
81.07059	11.1
83.01358	4.7
83.04984	2.0
83.08617	2.3
85.06557	5.7
91.05489	16.6
93.07051	16.6
95.04970	7.0
95.08016	0.5
95.08610	12.1
97.02911	4.3
97.06531	6.0
97.10152	0.8
99.31252	0.7
103.05479	1.9
105.07040	30.1
107.04984	1.6
107.08603	36.2
109.05778	1.6
109.06518	13.6
109.10164	44.1
111.08087	2.4
115.05471	3.0
116.06235	1.1
117.07032	6.0
119.06060	0.7
119.08604	9.9
121.06515	38.6
121.10149	31.6
121.11466	0.9
123.04504	0.8
123.08086	9.9
123.11655	1.0
129.06982	3.1
130.07791	3.1
131.07599	1.6
131.08575	28.0
133.06526	1.3
133.10139	19.6
135.08061	41.9
135.11720	6.5
137.05989	8.4
143.08569	4.0
144.09322	0.9
145.06479	1.8
145.10130	20.0
147.04410	2.5
147.08046	2.8
147.11696	11.3
148.08852	1.7
149.05986	4.2
149.09631	8.7
149.13269	9.6
150.10301	1.0
155.08514	1.5
158.07275	2.7
158.10934	6.3
161.05997	4.3
161.09656	3.0
162.06743	5.5
163.07558	14.5
163.11174	10.3
163.14795	1.3
173.09645	7.7
173.13275	27.9
176.08340	13.5
176.11954	1.0
181.28784	0.8
191.03499	1.3
191.07080	2.5
191.10690	100.0
191.14314	61.4
191.17862	3.5
192.11015	2.0
192.14694	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03955	7.3
55.01875	2.9
55.05516	14.3
57.03416	1.5
57.07074	3.5
65.03936	3.3
67.05511	13.1
69.03436	44.5
69.03819	2.2
69.07069	13.5
69.63252	8.5
70.76270	1.3
71.05001	2.5
74.96169	1.4
77.03912	4.2
79.05501	76.0
81.03433	2.7
81.07065	71.1
83.01344	2.7
83.04986	19.3
83.08622	2.7
85.06530	4.9
91.05489	32.8
92.06251	1.4
93.07053	35.3
95.04987	8.9
95.08608	15.1
97.02879	2.2
97.06516	4.1
98.20731	1.4
103.05488	12.6
105.03441	2.3
105.04517	2.0
105.07035	32.5
107.04969	48.0
107.08602	100.0
109.06515	7.6
109.10165	12.9
110.07274	2.3
111.08066	1.8
115.05448	5.9
117.07023	8.2
118.04161	1.8
119.06083	2.6
119.08584	14.6
120.05727	1.3
120.74129	1.2
121.06518	35.4
121.10151	29.0
122.07275	5.4
123.04427	1.6
123.08054	6.7
129.07045	3.0
130.07793	2.8
131.04901	4.3
131.08600	22.8
133.02858	9.2
133.06561	2.6
133.10141	81.3
135.08063	18.9
135.11717	9.3
136.08826	2.6
137.05959	4.0
137.09625	22.7
143.08566	5.6
144.09312	1.6
145.10126	18.3
147.08061	2.6
147.11711	9.5
148.05188	4.2
148.08844	2.1
149.06003	5.6
149.09630	7.8
149.13263	18.4
158.07237	1.5
158.10915	10.2
161.05988	2.9
161.09619	3.0
162.06735	4.0
163.07547	17.1
163.11209	7.7
163.14841	4.4
168.34779	1.4
173.09653	3.8
173.13272	23.6
176.04710	3.2
176.08412	7.8
191.03426	15.1
191.07108	8.2
191.10693	60.2
191.14317	86.7
191.17961	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03939	2.6
54.73721	0.9
55.01871	2.0
55.05513	8.7
57.03423	1.6
67.05515	8.2
68.99815	1.4
69.03082	1.5
69.03430	17.4
69.07076	5.2
70.64743	2.9
71.04974	3.3
79.05499	13.9
81.03419	1.5
81.06677	1.1
81.07072	13.8
83.01337	3.5
83.04980	4.0
83.08635	1.9
85.06510	1.0
88.07687	0.9
91.05476	16.4
93.06482	1.6
93.07042	21.5
93.20269	0.8
95.04954	5.0
95.08611	9.8
97.02898	2.9
97.06516	3.6
100.33881	0.9
101.99943	0.8
103.05466	3.5
105.04551	0.9
105.07033	29.1
107.04946	6.7
107.08598	31.7
109.06523	6.6
109.10142	8.2
117.07015	12.5
119.08596	9.1
121.06506	57.5
121.09322	1.6
121.10141	18.3
122.07278	1.9
123.04409	1.4
123.08093	2.7
123.11742	1.3
128.06250	1.2
129.07010	2.6
130.07758	5.8
130.46245	1.1
131.04877	1.4
131.08574	15.7
133.10136	62.5
134.10516	1.0
135.08061	21.4
135.11671	9.6
136.03645	0.9
137.06000	6.1
137.09633	6.7
143.08571	4.7
144.09357	1.6
145.06470	1.7
145.10121	38.5
147.04398	2.5
147.08038	2.3
147.11670	5.7
148.05202	1.2
149.05994	6.0
149.09645	7.4
149.13243	9.8
155.08530	2.9
158.07269	4.4
158.10950	5.6
161.06038	4.6
161.09576	1.2
162.06773	6.5
163.07547	12.5
163.11177	19.6
163.14799	3.0
173.09631	15.7
173.13266	19.2
176.08337	10.5
191.07019	2.7
191.10674	100.0
191.14302	29.7
191.17952	1.8
192.11014	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44148	0.9
53.03936	3.4
55.01854	2.9
55.05511	11.1
57.03443	1.3
57.07073	2.0
57.07653	1.0
62.32015	1.1
65.03944	2.6
67.05183	1.8
67.05508	22.4
69.03432	10.2
69.06795	0.9
69.07076	10.7
70.47310	1.3
70.47641	2.1
71.05003	18.5
77.03912	1.4
79.05498	21.5
81.07064	18.2
83.01332	2.6
83.04987	6.8
83.08614	4.2
85.06530	8.0
89.03913	1.2
91.05483	31.4
93.07047	33.6
95.04968	17.2
95.08611	19.0
97.02905	2.3
97.06537	10.7
97.10162	1.5
98.37897	1.0
103.05468	10.9
105.03387	1.1
105.06313	1.9
105.07034	50.2
107.04961	6.9
107.08597	53.5
109.06522	32.7
109.10162	56.4
111.08064	2.6
114.83414	1.0
115.05480	5.6
116.06201	2.0
117.07018	18.6
118.04152	3.4
119.04945	1.0
119.06094	1.5
119.08592	16.7
121.06509	47.9
121.10145	39.0
123.08076	17.2
123.11736	1.5
128.06195	1.4
129.07008	5.1
130.04156	2.7
130.07793	7.2
130.40804	1.0
131.04936	8.5
131.08571	50.3
133.02884	2.0
133.06488	3.7
133.10135	26.9
135.04424	2.8
135.08061	68.7
135.11693	15.5
136.66682	1.1
137.05951	4.2
143.08588	7.6
144.09352	1.7
145.06512	8.7
145.10126	38.3
147.04463	1.8
147.08014	4.2
147.11687	14.3
148.05272	5.2
148.08836	2.0
149.05972	7.4
149.09633	17.3
149.13272	14.0
150.10376	3.3
155.08588	2.9
158.07274	3.6
158.10909	8.4
159.08101	1.1
160.05060	1.7
161.05997	3.5
161.09618	4.0
162.06763	3.8
163.03882	3.6
163.07550	14.5
163.11176	16.1
163.14859	2.3
171.11755	2.1
173.05968	7.3
173.09637	15.1
173.13275	41.9
176.04684	4.7
176.08383	6.1
176.11960	2.7
191.03403	7.1
191.07048	17.6
191.10686	68.0
191.14317	100.0
191.17924	7.5
192.06540	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.02370	0.5
53.03932	1.8
54.62178	0.5
55.01857	1.9
55.05516	6.0
57.07067	1.0
65.03922	0.5
67.05238	0.4
67.05513	4.9
69.03435	14.9
69.07078	7.8
70.95327	1.0
70.95707	1.0
71.04971	1.6
73.95818	0.5
77.03930	0.9
79.05497	9.5
81.07075	5.2
83.04984	14.1
83.08611	1.8
85.06528	1.2
91.04910	0.9
91.05483	13.2
93.07047	12.3
94.10335	0.5
95.04978	4.7
95.08604	4.4
97.06535	4.4
97.42247	0.6
103.05476	4.5
105.04517	0.6
105.06308	0.7
105.07031	18.5
107.04966	3.0
107.08604	29.8
109.06519	5.6
109.10143	1.8
111.08104	1.1
111.11012	0.4
115.05475	2.0
116.06245	0.5
117.07019	6.2
118.04156	0.8
119.06056	0.8
119.08584	9.5
121.06513	20.8
121.10151	13.3
123.04433	0.8
123.08062	2.0
128.06215	0.6
129.07022	2.9
130.04150	0.7
130.07816	2.6
131.04059	0.6
131.04903	3.1
131.08577	15.6
132.05678	0.6
133.02827	0.5
133.06520	1.2
133.10138	14.4
134.07269	0.7
135.04445	1.0
135.08054	14.9
135.11700	3.6
136.08835	1.0
137.09561	1.1
140.26874	0.5
143.08557	4.3
144.09398	0.8
145.06467	0.6
145.10126	17.5
146.10532	0.5
147.08018	1.5
147.11696	7.5
148.05190	2.2
148.08792	1.2
149.05978	1.3
149.09647	7.3
149.13274	5.0
155.08566	1.2
156.09341	0.6
158.07265	1.8
158.10925	7.1
161.09619	4.4
163.07547	5.3
163.11183	7.5
163.14818	1.7
173.09648	7.9
173.13274	16.0
176.04671	1.0
176.08281	1.0
176.11952	2.3
177.91028	0.5
191.07071	4.9
191.10699	17.4
191.14314	100.0
192.14685	1.3
202.61230	0.5
213.68681	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01869	2.4
55.05512	10.4
57.03430	2.0
57.07074	1.6
59.05002	1.6
67.05512	9.1
69.03435	7.9
69.07071	9.9
70.19865	5.0
71.04984	4.9
79.05152	1.3
79.05505	15.4
81.07058	15.9
83.01324	3.9
83.04974	4.6
83.08606	4.3
85.06538	2.9
91.05488	26.2
93.07050	20.5
93.29591	1.1
95.04976	8.5
95.08616	12.1
97.02879	2.7
97.06549	8.9
98.21550	1.4
103.05479	14.4
105.03320	1.4
105.04527	1.5
105.07040	49.5
107.04945	6.8
107.07881	2.0
107.08601	30.9
109.06558	7.1
109.10158	9.0
111.08082	2.5
115.05449	5.5
116.06200	2.1
117.07042	13.9
118.04169	3.9
119.04888	1.4
119.08592	19.7
121.06518	61.7
121.10154	17.7
122.31166	1.2
123.04408	2.4
123.08071	7.0
124.12472	1.1
128.06161	1.9
129.07005	3.6
130.07802	4.9
131.04921	9.6
131.08577	52.0
131.99889	1.3
132.05736	2.2
133.02893	2.3
133.06516	1.9
133.10138	100.0
135.04419	2.2
135.08063	30.3
135.11723	5.8
137.05978	12.4
143.08548	5.9
144.09329	4.1
145.06480	3.0
145.10132	33.3
147.04353	1.7
147.08113	3.0
147.11696	11.5
148.05185	6.4
148.08777	2.2
149.05986	19.1
149.09633	9.9
149.13249	11.4
155.08545	1.6
158.07269	4.1
158.10927	11.8
159.07945	1.9
160.05095	1.8
161.05991	4.4
161.09573	1.6
161.13297	1.3
162.06738	5.1
163.07559	29.5
163.11200	13.6
163.14845	2.3
173.05981	1.7
173.09666	8.5
173.13274	39.9
174.13647	1.4
176.04712	3.5
176.08356	9.8
191.07019	12.1
191.10684	85.4
191.14308	58.5
191.17979	2.3
192.11102	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19643	0.6
55.01865	1.4
55.05509	5.5
59.92128	0.6
66.54940	0.6
67.05509	4.7
68.99792	0.7
69.03085	0.9
69.03430	13.0
69.07061	5.6
70.84747	1.1
70.85078	0.8
74.11758	0.5
79.05500	5.8
81.07050	5.9
83.01342	2.1
83.04980	10.1
83.08615	1.8
91.05470	8.2
93.07040	7.2
93.48404	0.6
95.04967	2.4
95.08617	5.3
97.02878	2.5
97.06532	2.4
103.05460	3.0
105.07039	9.3
106.42297	0.6
107.04947	2.3
107.08600	26.0
109.06510	3.6
109.10139	2.2
111.08083	0.8
115.05504	1.2
117.07043	3.2
117.96710	0.6
119.06126	0.6
119.08585	7.3
121.06510	27.0
121.10149	15.3
121.11030	0.8
123.04420	0.8
123.08076	2.3
129.07022	1.9
130.07755	2.0
131.04927	1.3
131.08580	9.9
133.02917	0.7
133.06458	0.8
133.10132	13.9
135.08057	15.5
135.11688	4.5
137.05969	5.8
137.09676	0.7
143.08566	3.3
144.09326	1.1
145.06528	1.0
145.10114	9.0
147.04436	0.8
147.08043	0.8
147.11691	7.0
148.05194	2.8
148.08807	1.2
149.05968	5.2
149.09598	5.8
149.13271	5.2
155.08582	0.7
158.07298	2.6
158.10925	4.8
161.06007	3.7
161.09677	3.0
162.06757	4.3
162.48163	0.6
163.07535	11.6
163.11224	6.0
163.14841	2.9
173.09688	3.1
173.13277	13.5
176.08344	7.3
176.11955	2.7
191.07130	1.5
191.10683	54.2
191.14308	100.0
192.14713	1.7
198.13054	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.6
55.01864	2.9
55.05512	7.7
57.03432	1.7
65.03929	2.8
67.05518	6.2
68.99799	1.4
69.03441	12.9
69.07066	6.7
71.04989	1.5
74.41164	1.2
79.05492	11.2
81.07054	12.9
82.07680	1.2
83.01335	2.5
83.05006	9.1
83.08618	2.6
85.06554	1.4
90.04705	3.0
91.05479	19.8
93.07052	17.8
95.04962	3.6
95.08611	9.7
97.02901	1.9
97.06536	4.2
102.04696	2.8
103.05476	73.0
105.03403	7.9
105.04526	2.2
105.07039	38.3
107.04967	4.9
107.08600	34.7
109.06502	5.2
109.10145	4.5
115.05431	6.4
116.06276	1.8
117.07021	8.4
118.04166	17.5
119.04951	5.3
119.08589	16.2
120.05722	3.2
121.06511	23.2
121.10149	19.3
123.04391	2.0
123.08093	3.7
127.14742	1.5
129.06952	2.5
130.04153	7.0
130.07741	1.8
131.04950	44.2
131.08578	24.6
132.05690	4.1
133.02847	11.4
133.06520	5.1
133.10147	36.7
135.08063	23.5
135.11703	4.4
137.05977	2.5
143.08566	6.2
144.09338	3.0
145.06491	3.7
145.07637	1.6
145.10124	18.2
146.03638	4.6
147.04440	2.5
147.11696	14.1
148.05197	40.2
149.05966	4.8
149.09648	9.5
149.13281	11.4
158.07297	2.7
158.10922	7.5
161.06009	2.9
161.09608	3.1
162.06796	3.5
163.07556	59.6
163.11185	4.8
163.14809	4.9
164.07872	2.1
173.05923	2.7
173.09673	4.1
173.13272	28.9
176.04741	9.2
176.08339	3.9
191.07034	34.0
191.08847	2.6
191.10696	37.7
191.14320	100.0
192.14618	1.7
214.38986	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.50951	0.9
53.03931	3.0
55.01866	1.7
55.05511	14.9
57.03427	2.9
57.07063	1.9
65.03917	2.1
66.53679	0.9
67.05510	12.3
69.03429	15.8
69.06797	1.0
69.07076	10.8
70.62163	3.0
71.05009	4.8
79.05495	13.7
81.06596	1.4
81.07063	26.2
83.01350	6.7
83.04997	5.4
83.08611	3.0
85.06535	4.2
91.05478	24.8
93.06479	2.0
93.07045	30.9
95.04969	7.3
95.08607	15.9
97.02895	3.5
97.06508	5.1
99.08089	1.9
103.05463	6.5
103.06577	1.0
105.07037	52.7
107.04951	3.5
107.08596	53.8
109.06519	12.5
109.10163	14.5
111.08111	1.4
115.05462	4.1
116.06249	2.1
117.06999	9.2
119.07802	1.8
119.08585	20.4
121.06509	45.5
121.07387	2.4
121.10150	31.8
123.08070	7.4
123.11674	1.6
128.06223	0.9
129.07004	4.1
130.07774	4.5
131.04907	4.5
131.08575	41.5
133.02827	1.0
133.06445	1.9
133.10136	76.6
134.10493	1.5
135.08067	33.7
135.11682	7.3
136.08832	1.4
137.05980	8.8
137.09607	1.1
143.08539	6.8
144.09323	3.9
145.06476	2.9
145.10126	32.1
147.04414	2.3
147.08084	2.3
147.11696	19.0
148.05237	1.2
149.05980	7.4
149.09631	16.1
149.13263	21.3
155.08589	2.2
158.07277	4.0
158.10912	10.3
160.05125	1.3
161.05975	4.8
161.09605	3.2
162.06790	7.0
163.07561	17.9
163.11194	15.8
163.14822	9.7
173.09654	7.9
173.13264	48.2
175.07487	1.1
176.04709	2.7
176.08337	11.3
176.11957	2.0
191.07071	7.2
191.10680	100.0
191.14307	69.1
192.11067	2.4
192.95158	1.0
206.80751	1.0
210.41838	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1067
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03945	0.8
55.01859	1.1
55.05515	3.4
59.94827	0.4
65.03933	0.7
67.05238	0.3
67.05506	3.1
68.99808	0.6
69.03139	0.4
69.03434	4.1
69.07064	1.8
70.20377	1.1
71.04999	2.4
79.05493	4.7
81.07044	3.2
83.01344	4.1
83.04954	1.1
83.08613	0.6
85.06530	0.8
85.12461	0.4
88.47044	0.3
89.03962	0.4
90.46273	0.4
91.05483	7.8
93.07045	8.2
95.04976	2.5
95.08617	2.6
97.02884	3.8
97.06510	1.7
98.21448	0.4
103.05473	2.2
105.07034	11.3
107.04951	2.6
107.08595	9.4
109.06519	3.7
109.10168	2.8
111.04446	0.5
111.08070	0.4
115.05457	1.6
116.06208	0.6
117.07032	4.5
118.04202	0.5
119.04919	0.5
119.08597	3.4
121.06506	36.6
121.10140	6.7
122.06835	0.5
123.04449	0.6
123.08070	1.2
123.11691	1.3
128.06255	0.8
128.31329	0.4
129.06998	1.2
130.07787	3.2
131.04927	1.3
131.08568	6.0
133.06480	1.2
133.10139	3.0
135.04384	1.1
135.08057	14.0
135.11652	3.1
137.05977	8.2
143.08553	1.2
144.05765	0.6
144.09349	0.5
145.06483	1.7
145.10133	14.0
147.04424	2.0
147.08049	1.1
147.11653	3.1
148.05190	0.9
149.05984	4.9
149.09613	4.6
149.13223	2.3
153.08345	0.5
155.08572	1.2
158.07297	3.6
158.10890	1.5
159.08110	0.4
160.05049	0.5
161.05984	4.7
162.06790	7.3
163.07544	14.4
163.11189	11.7
163.14783	0.5
173.06082	0.6
173.09622	8.8
173.13264	4.9
174.06673	0.4
175.07594	1.1
176.08331	13.1
176.09877	0.7
176.11879	0.4
191.03328	1.3
191.07185	2.4
191.10674	100.0
191.14275	15.3
192.11031	2.1
194.18224	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1068
Annotation	Bruguierol A
Peak:m/z	Relative Intensity
52.77510	0.7
53.03962	0.8
55.05518	4.1
67.04323	0.7
67.05490	2.9
69.03421	3.1
69.71333	4.2
76.65457	0.7
77.67889	0.8
79.05476	2.5
79.32595	0.7
81.07041	3.2
83.01348	5.7
83.04990	1.0
91.05479	5.0
93.07035	3.6
95.04955	0.9
95.08634	0.9
97.02888	5.3
103.05462	2.8
105.07059	5.7
107.04950	1.5
107.08604	4.8
109.06527	2.2
110.72910	0.7
115.05453	1.6
117.07003	3.7
118.04156	1.2
119.08568	2.5
121.06510	46.3
121.10146	2.9
123.04423	1.3
128.79362	0.8
129.07008	1.3
130.07765	2.1
131.04929	2.3
131.08542	2.0
133.10103	2.7
135.08072	14.4
137.05986	10.3
143.08540	1.0
145.06497	1.6
145.10141	11.1
147.04382	3.4
147.08087	0.8
147.11681	1.3
148.05212	1.7
149.05980	9.8
149.09619	2.5
151.07613	0.8
155.08508	0.8
158.07300	4.2
158.10905	1.0
161.05971	5.6
162.06772	7.0
163.07558	16.5
163.11201	11.1
173.09624	7.1
173.13260	2.9
176.08337	14.6
188.50465	0.8
191.07034	2.6
191.10681	100.0
191.14247	6.8
192.11055	1.7
202.93513	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1067
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03934	1.5
55.01858	1.1
55.05512	6.9
57.03444	0.6
57.07062	0.9
57.55375	0.4
65.03923	1.0
67.05505	6.4
68.99776	0.9
69.03425	5.2
69.07070	5.2
70.28233	0.9
70.28616	0.8
71.04977	1.0
77.03943	0.6
79.05501	7.3
81.07065	12.6
83.01347	5.5
83.04966	1.9
83.08597	2.0
85.06532	1.3
87.86462	0.5
91.05482	10.4
93.07047	12.2
95.04987	2.4
95.08613	14.2
97.02895	3.8
97.06516	2.0
97.10160	1.4
99.08138	0.4
103.05466	4.1
105.07037	15.3
107.04971	2.1
107.07874	0.9
107.08601	16.3
109.06522	3.1
109.10157	7.4
111.08057	0.5
111.11708	0.6
115.05450	2.4
116.06226	0.4
117.07028	5.7
118.04195	0.6
119.04913	0.7
119.06095	0.5
119.08582	6.5
120.05741	0.6
121.06512	44.8
121.10146	11.3
122.06876	0.7
123.04424	1.4
123.08064	1.3
123.11721	1.5
128.06215	0.4
129.07011	1.2
130.07806	2.8
131.04938	2.8
131.08580	9.7
132.05745	0.6
133.02872	0.5
133.06525	1.2
133.09117	1.0
133.10132	18.8
135.04417	1.1
135.08063	17.5
135.11688	8.2
137.05991	11.0
143.08562	2.4
144.05682	0.8
144.09326	0.5
145.06528	2.1
145.10133	14.4
146.05991	1.3
147.04419	3.1
147.08028	1.2
147.11705	2.9
148.05191	1.5
149.05991	9.4
149.09599	4.7
149.13278	4.4
150.10373	1.1
151.07532	0.9
155.08534	1.2
158.07260	3.2
158.10919	2.4
159.08095	0.5
160.05020	0.8
161.05989	6.2
161.09621	1.2
162.06776	8.0
163.07555	18.5
163.11183	11.2
163.14798	1.7
173.06036	0.6
173.09636	7.8
173.13269	9.1
175.07565	0.9
176.04744	3.4
176.08345	14.0
176.11928	0.6
191.07104	6.2
191.10677	100.0
191.14293	19.0
191.17917	4.9
192.11000	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1067
Annotation	Bruguierol A
Peak:m/z	Relative Intensity
50.27325	0.3
55.05511	2.4
59.20320	0.4
63.47516	0.3
65.03919	0.4
67.05489	1.1
68.99783	1.3
69.03424	3.4
69.54099	2.5
77.03910	0.5
79.05476	1.2
81.07052	2.0
83.01341	3.9
83.04958	0.5
91.05454	2.4
93.07054	2.4
95.08611	0.6
97.02894	4.5
103.05459	0.9
104.89357	0.3
105.07034	4.1
107.04971	0.7
107.08591	2.3
109.06516	1.0
111.39403	0.4
115.05447	1.2
117.07006	2.4
119.08564	1.2
119.84042	0.3
121.06506	34.0
121.10110	0.9
122.06852	0.7
123.04440	0.9
129.06978	0.4
129.14635	0.4
130.07794	2.2
131.04909	0.4
131.08530	0.7
133.06445	0.4
135.08054	8.4
135.11644	0.6
137.05983	8.0
143.08524	0.7
144.05663	0.4
145.06476	1.4
145.09056	0.6
145.10133	8.2
147.04414	1.6
147.08040	0.7
148.05200	0.4
149.05994	7.1
149.09583	2.2
151.07565	0.7
155.08528	0.7
158.07304	3.2
161.05977	5.0
162.06769	6.4
163.07550	15.1
163.09822	0.7
163.11172	8.3
173.09636	6.7
175.07561	0.6
176.08331	13.5
177.08647	0.4
191.10670	100.0
192.10985	1.6
198.79050	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1068
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03941	1.5
55.01870	0.7
55.05515	4.6
65.03929	0.7
67.05508	3.3
68.99786	1.4
69.03428	5.3
69.07047	0.7
71.05001	0.9
71.22604	1.3
77.03928	0.9
79.05490	2.8
81.07068	5.4
83.01341	5.1
83.04985	0.8
91.05486	7.2
93.07058	4.7
95.04963	1.0
95.08613	1.3
97.02898	5.7
103.05479	6.5
105.07037	7.3
107.04948	2.0
107.08588	8.5
109.06521	1.9
109.10151	1.0
115.05453	1.7
117.07026	6.1
118.04161	2.2
119.04992	0.7
119.08546	2.3
121.06511	71.2
121.10139	2.5
123.04456	1.5
123.08066	0.9
123.11772	1.0
128.06241	0.9
129.07037	1.1
130.07771	2.2
130.57767	0.5
131.04922	3.9
131.08557	2.4
133.02783	1.0
133.06511	1.2
133.10153	3.2
135.04417	1.0
135.08064	20.6
135.11685	1.5
137.05986	15.7
145.06490	1.7
145.10139	12.1
147.04422	2.3
147.08046	0.7
147.11700	1.4
148.05203	3.3
149.05988	24.9
149.09610	2.4
149.13281	1.0
150.13770	0.7
151.07550	1.0
155.08562	1.1
158.07274	3.1
159.07951	0.8
161.05980	6.3
161.09608	1.1
162.06747	8.3
163.07556	34.2
163.11182	12.8
173.09648	7.6
173.13280	2.0
176.04677	0.9
176.08330	14.0
188.58917	0.6
191.07115	4.4
191.10677	100.0
191.14243	6.0
192.11009	1.4
211.80016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1067
Annotation	Bruguierol A
Peak:m/z	Relative Intensity
53.03946	0.8
55.05509	3.7
66.14935	0.6
67.05509	1.5
68.99803	0.7
69.03423	3.9
69.73659	3.6
69.74062	0.9
70.06860	0.6
77.03959	0.7
77.74387	0.7
78.90747	0.6
79.05480	1.2
79.89056	0.6
81.07018	2.0
83.01346	5.6
89.11457	0.6
91.05497	3.2
93.07057	3.7
95.04964	1.2
97.02887	7.0
98.21420	1.1
103.05493	1.4
105.07032	4.4
107.04959	1.2
107.08596	3.6
109.06552	1.2
115.05489	1.0
117.07050	4.5
119.08558	1.7
121.06506	41.2
121.10120	1.0
123.04446	1.3
129.06990	1.1
130.07793	2.1
131.08485	0.9
133.10065	0.8
135.08061	9.4
135.11720	0.8
137.05978	10.3
140.90921	0.7
143.08604	1.0
145.06471	0.8
145.10129	9.3
147.04420	2.9
147.08073	1.3
149.05963	6.8
149.09624	1.3
154.35132	0.7
158.07277	4.3
161.05972	6.9
162.06792	8.5
163.07553	18.1
163.11201	9.5
173.09610	6.7
175.07494	0.9
176.08337	14.0
191.10678	100.0
192.11041	2.0
201.16177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.05
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
61.65681	0.2
70.94148	0.4
70.94485	0.4
86.58650	0.2
89.03910	1.4
97.02887	0.2
101.60047	0.3
116.04995	3.5
118.06538	0.2
121.06509	0.5
130.05014	0.5
134.06030	0.7
144.04451	3.3
148.97391	0.2
162.05513	100.0
163.05884	1.8
163.07155	0.3
190.05002	33.8
191.05333	0.7
191.10715	0.4
191.29347	0.3
194.99692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1068
Annotation	Bruguierol A
Peak:m/z	Relative Intensity
53.03955	0.6
55.05503	2.4
57.39778	0.5
61.12286	0.5
67.05495	1.9
68.99784	1.3
69.03427	4.7
70.55375	1.7
79.05488	1.7
81.07057	3.2
83.01356	5.2
91.05495	3.7
93.07054	3.0
95.04984	0.8
97.02911	5.0
103.05480	1.3
103.79472	0.5
105.07030	5.1
107.04957	0.9
107.08598	4.0
109.06512	1.5
115.05421	1.5
116.07491	0.5
117.07043	2.8
119.08582	1.6
121.06510	40.5
121.10155	1.7
122.06792	0.7
123.04460	1.1
123.11762	0.7
125.09774	0.8
129.07054	0.9
130.07784	3.1
131.08575	1.0
133.06583	0.7
133.10136	0.9
135.08063	9.2
135.11662	1.4
137.05978	9.4
143.08536	0.6
145.06439	1.1
145.10141	11.0
147.04411	2.1
147.08070	0.7
149.05988	7.9
149.09641	2.7
151.07542	0.7
155.08513	1.1
158.07277	3.5
161.05974	6.8
162.06775	9.0
163.06145	0.9
163.07544	19.5
163.11174	11.3
173.09628	7.5
173.13289	1.1
175.07584	1.1
176.08339	12.1
189.09189	0.8
191.10683	100.0
191.14316	2.3
192.11079	2.2
202.05997	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46552	0.2
55.01865	0.2
56.14058	0.2
56.96555	0.6
57.03420	0.2
57.07063	0.6
58.99858	0.7
69.03414	0.3
69.23866	1.7
77.00919	0.3
79.05476	0.2
81.03413	0.8
82.99237	0.2
85.01411	0.5
86.01476	0.2
86.99370	0.2
97.01373	0.4
98.97594	2.6
100.02499	0.4
101.00870	0.7
102.00961	0.5
103.02443	0.7
104.02526	0.5
105.02206	0.3
106.02928	0.2
111.02906	0.2
113.00850	0.4
115.02435	1.1
116.98621	2.1
118.03535	0.5
118.50486	0.3
119.00285	0.4
119.01924	1.8
120.02028	1.0
121.01637	0.3
122.03598	0.2
127.50978	0.3
128.50920	0.2
129.03946	1.1
131.00166	0.2
131.01886	0.5
133.03450	0.5
134.99677	0.7
136.16095	0.2
137.02969	0.5
138.02982	0.2
139.00757	0.2
139.02426	1.9
139.50961	1.1
140.00790	0.9
140.50850	0.3
141.03931	0.3
143.01904	0.4
144.49352	0.2
145.03456	1.3
147.05043	0.5
148.05139	0.5
148.51549	0.5
149.00778	1.6
149.04599	0.2
151.01764	0.9
151.51596	0.9
155.01851	0.2
157.03464	4.2
159.01443	0.2
159.05043	0.4
160.52124	0.4
161.02901	0.3
162.03052	0.3
163.04469	0.2
166.06264	0.3
167.01897	12.6
168.02109	0.4
168.05045	0.5
172.02821	0.3
172.07727	0.2
173.06627	0.3
175.04555	0.5
177.00989	0.3
179.10428	0.3
180.05101	0.2
184.04619	0.2
185.02963	100.0
186.03114	2.8
187.03387	0.5
190.03664	1.2
190.06157	0.7
190.08688	0.4
203.04016	13.5
204.04149	0.5
208.04553	5.9
209.04773	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	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
54.24479	1.3
55.01862	2.0
55.05520	9.9
58.07734	1.3
61.95527	1.6
63.64820	1.2
65.03946	3.4
67.05508	22.7
69.03422	4.6
69.07063	9.4
70.09575	5.7
79.05495	24.2
81.07060	56.6
83.04967	2.1
83.08594	3.2
83.91217	1.4
91.05485	38.1
93.06487	2.5
93.07051	35.0
95.04972	3.5
95.08614	58.9
103.05464	2.8
105.07037	76.5
107.04957	4.9
107.08595	40.1
109.06539	3.4
109.10152	18.0
115.05434	7.1
117.07031	11.6
119.08585	64.1
121.06499	4.9
121.10162	11.7
123.00175	1.3
128.06232	18.3
129.06989	8.3
130.07788	4.2
131.04947	2.4
131.08575	19.6
133.06529	8.3
133.10135	70.4
135.08150	1.7
141.06998	3.3
142.07808	2.9
143.05009	1.7
143.08562	34.7
145.06526	3.3
145.10123	17.5
146.07246	3.8
146.10907	1.5
147.04417	1.5
147.08063	13.4
147.11697	37.4
148.12065	1.5
156.09363	13.7
159.08078	3.7
159.11687	5.6
160.05235	2.9
160.12402	1.8
161.06026	10.2
161.09639	17.1
161.13280	20.3
171.08086	10.7
171.11697	19.0
174.06776	18.6
174.10379	4.4
189.05460	8.7
189.09111	43.9
189.12738	53.3
189.16394	100.0
190.08600	1.6
190.16722	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	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91282	0.6
53.03937	1.4
55.01859	1.2
55.05510	3.9
59.04990	0.8
67.05496	2.6
69.03439	2.4
69.07064	2.4
70.95587	1.5
74.66076	0.6
79.05502	5.2
79.57805	0.6
81.03436	0.6
81.07058	5.9
83.04974	1.1
88.65123	0.6
91.05482	13.2
93.07058	4.8
95.04971	2.4
95.08604	2.1
97.06530	1.0
102.36078	0.6
103.05455	2.7
104.06248	0.7
105.07038	29.1
107.08611	4.9
109.06522	6.0
109.10179	1.1
115.05462	1.8
116.06267	1.1
117.07014	6.2
119.04964	1.3
119.08589	37.0
121.06529	5.1
121.10144	2.4
123.08063	0.7
123.49684	0.7
128.06223	5.9
129.06996	4.7
130.07787	2.6
131.04953	1.4
131.08589	14.0
133.06508	5.0
133.10138	15.6
135.08040	1.7
141.07019	3.6
142.07782	1.9
143.08569	12.3
145.06516	2.9
145.07565	0.6
145.09047	0.5
145.10123	13.2
146.07269	2.2
146.10934	5.4
147.08060	13.4
147.11699	34.1
148.12022	0.7
155.08467	1.0
156.09361	15.7
159.08066	16.8
159.11668	1.8
160.05182	1.2
160.08836	2.6
161.06021	1.7
161.09625	6.9
161.13268	8.8
166.09134	0.8
171.08066	1.7
171.11703	18.8
173.09628	3.4
174.06825	4.4
174.10414	22.1
189.09148	20.0
189.12753	100.0
189.16321	5.4
190.13063	2.4
205.88060	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.05520	4.7
59.04987	1.7
67.05486	2.9
69.03431	7.0
69.07064	3.5
70.81594	2.9
79.05505	5.2
81.07059	6.7
83.04982	2.2
91.05485	18.8
93.07038	5.9
95.04971	2.3
95.08604	2.5
100.71928	1.1
103.05513	1.3
105.07039	41.1
107.04974	1.9
107.08586	6.7
109.06538	1.0
115.05460	2.8
116.06194	2.0
117.07023	4.6
119.04948	3.0
119.08591	53.3
121.06546	5.5
121.10123	1.3
128.06236	8.9
129.07005	10.4
130.07785	1.9
131.04929	4.1
131.08583	14.2
132.05734	1.0
133.06500	5.5
133.10147	18.2
135.08044	4.6
141.06985	5.6
142.07819	1.3
143.08578	10.9
145.06467	4.1
145.10133	11.4
146.07259	7.2
146.10860	3.0
147.08058	28.5
147.11702	38.5
148.05222	1.5
156.09355	27.1
157.06487	2.3
159.04465	1.1
159.08078	14.5
159.11690	3.9
160.08836	7.6
161.05994	14.9
161.09625	29.1
161.11974	2.1
161.13263	26.9
171.08134	1.7
171.11693	34.6
173.09624	1.7
174.06801	11.0
174.10419	23.4
179.90575	1.0
189.09138	36.9
189.12756	100.0
190.13185	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18929	1.6
53.03943	2.3
55.05499	6.1
67.05489	5.8
69.03436	7.7
69.03825	1.4
69.07062	6.1
70.65868	4.6
79.05483	5.9
81.03439	1.8
81.07055	10.1
83.04969	3.0
85.02892	7.3
87.00819	2.0
91.05484	35.5
92.70383	1.4
93.07046	8.4
95.08602	8.8
103.05450	3.5
105.03419	2.0
105.07038	48.7
107.04942	2.6
107.08612	9.7
109.06522	2.0
109.10152	2.2
115.05428	5.1
116.06231	6.0
117.07011	10.2
119.04912	3.3
119.08589	61.7
121.06496	6.3
121.10108	3.3
128.06226	17.7
129.07007	28.8
130.07776	3.8
131.04901	6.2
131.08575	100.0
132.08881	2.9
133.06505	7.2
133.10141	31.1
135.08025	2.8
136.23685	1.7
141.06985	7.9
142.07765	2.3
143.08589	19.0
144.09299	2.7
145.06441	8.0
145.10144	23.3
146.07283	9.2
146.10864	3.4
147.08055	29.3
147.10524	3.5
147.11694	68.8
148.05225	3.6
151.20482	1.6
155.06026	2.0
156.09348	41.2
157.06508	6.8
159.08083	9.6
159.11719	9.6
160.08804	2.5
161.05992	24.1
161.09634	36.5
161.13286	12.9
171.08043	3.6
171.11705	47.9
174.06764	22.9
174.10406	10.1
189.05452	3.9
189.09126	62.5
189.12747	93.1
189.16367	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1236
Annotation	19461-38-2
Peak:m/z	Relative Intensity
51.42199	0.4
53.03951	0.5
55.01876	1.5
55.05507	1.4
56.05033	1.7
56.18339	0.4
56.96305	0.6
56.96570	11.5
57.03435	1.3
58.06617	0.6
60.04516	0.5
60.08167	1.8
61.02908	0.8
61.87595	0.5
63.64529	0.5
65.03925	0.7
66.93951	0.4
67.05521	1.1
69.03433	2.6
69.07064	1.3
70.06594	2.1
70.29786	0.6
70.30138	1.6
70.98116	1.3
71.04976	0.5
72.08151	5.2
73.02922	1.0
74.06071	0.6
75.05633	0.7
79.05492	1.5
81.03429	1.2
81.07073	0.7
81.99992	0.4
82.02928	0.5
83.04982	0.6
84.04497	0.8
84.08147	8.8
85.02917	1.9
86.00669	0.5
86.03247	0.5
86.06112	0.5
86.09711	100.0
87.10044	1.0
88.03998	1.0
88.99162	1.1
91.00536	1.3
91.05474	2.0
95.01292	0.6
95.05019	0.9
95.08601	0.9
97.02907	1.8
97.04005	1.1
98.97582	13.9
98.98217	1.0
99.04465	0.6
100.03976	1.0
100.99144	1.8
101.00898	1.1
101.06054	0.5
102.05558	0.6
103.00565	0.8
103.05449	0.7
103.40324	0.5
105.07033	4.1
107.05016	0.7
109.03519	0.5
110.03942	0.6
111.63091	0.5
114.05535	1.9
115.05480	1.9
116.07143	0.9
116.98634	8.2
117.00288	0.9
117.03872	0.6
117.07043	1.2
119.00185	1.1
119.01867	2.4
119.04962	0.8
119.08604	2.2
120.08122	0.7
121.01611	0.6
121.06553	1.4
123.77137	0.5
126.00733	0.7
127.00652	0.6
127.03958	0.6
128.02315	0.8
128.06229	2.5
128.98584	1.2
129.05511	0.8
129.07013	1.9
130.08641	3.4
131.04968	0.8
131.08577	1.0
132.10210	35.0
133.06483	1.0
133.10184	1.5
134.06047	0.6
134.99675	3.0
139.00343	0.7
143.00177	1.2
143.02838	0.7
143.08566	3.1
143.11800	18.2
144.06601	0.7
145.06538	1.0
145.10211	1.1
146.07286	1.0
146.99640	1.5
147.08055	1.8
147.11708	1.3
156.09364	1.1
157.06361	1.1
158.99710	0.8
159.11702	0.7
161.01323	0.8
161.02966	0.9
161.05995	2.3
161.09596	2.4
162.05469	1.2
165.00729	1.4
171.04440	0.9
171.08061	1.2
171.11728	1.9
174.06772	4.6
177.00719	0.5
183.01785	0.5
185.03065	0.6
189.02135	0.6
189.05287	2.5
189.09074	10.3
189.12596	4.5
189.16133	1.3
190.05093	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62079	0.4
53.03946	0.8
55.01880	2.5
55.05513	1.0
67.05494	1.2
69.03434	0.7
69.07064	2.9
69.29415	1.0
69.29826	2.7
69.46765	0.4
76.36189	0.5
77.03901	0.9
79.05496	6.5
81.07044	3.4
83.04983	0.4
91.05474	7.0
93.03394	0.4
93.07031	1.8
95.04964	0.6
95.08607	1.9
103.05456	4.1
105.03394	0.6
105.07031	31.3
107.04955	2.0
107.08588	1.8
109.06533	0.9
115.05452	2.5
116.06275	0.6
117.07023	2.3
119.04922	0.4
119.07813	0.7
119.08579	9.2
121.06483	1.4
121.10177	0.5
128.06238	2.6
129.06979	2.2
130.07860	0.6
131.04839	0.5
131.08575	18.1
132.05670	1.2
132.08876	0.4
133.06494	34.0
133.10123	4.7
135.08029	0.9
141.06880	0.6
143.08556	3.4
145.06476	1.1
145.10097	1.9
146.07253	1.0
147.08051	20.5
147.11700	2.6
151.07547	23.3
152.07851	0.5
156.09351	1.8
157.06464	0.6
159.08037	0.8
160.08803	0.8
161.05972	1.5
161.09618	3.0
161.13281	1.9
171.08066	0.6
171.11696	6.5
174.06769	2.5
174.10432	1.5
189.05487	1.1
189.09209	6.1
189.12744	100.0
190.13020	2.8
202.26733	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0912
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03942	1.6
55.01878	1.9
55.05513	5.7
57.03437	1.9
61.85588	0.9
67.05494	3.3
68.99780	1.9
69.03439	1.1
69.07055	2.6
69.23948	3.5
69.24378	5.0
74.18262	0.9
79.05502	6.1
79.98943	1.1
81.03413	1.8
81.07068	9.0
82.31075	1.1
83.08627	1.5
85.02906	11.9
87.00828	3.0
91.05492	35.7
93.07067	5.6
95.04955	1.9
95.08607	8.3
103.05446	4.6
105.03401	3.6
105.07043	37.0
107.04991	5.9
107.08582	5.6
109.10181	2.7
115.05465	8.1
116.06280	1.8
117.07029	5.6
117.73511	0.9
118.04159	5.8
119.04970	10.9
119.07811	1.8
119.08604	22.3
121.06515	10.3
121.10155	4.3
127.05431	1.2
128.06235	26.3
128.48808	1.0
129.07018	39.3
130.07759	3.6
131.04945	6.3
131.08578	11.7
132.05685	1.9
133.02866	13.1
133.06505	7.7
133.10135	19.9
141.06987	1.5
143.04924	1.6
143.08577	13.5
144.05728	3.9
145.06494	5.4
145.10141	6.8
146.03687	1.6
146.07289	17.6
146.11118	1.0
147.04434	2.4
147.08089	11.0
147.11697	14.3
148.05202	100.0
149.05562	1.8
155.06073	3.9
156.09438	4.5
157.06506	20.6
158.07338	2.1
159.04387	2.1
159.08075	3.3
161.06012	32.6
161.09631	48.7
161.13278	5.5
171.04335	1.6
171.08058	3.6
171.11722	5.1
173.63934	1.0
174.06798	22.3
174.10414	2.0
174.45717	0.9
189.05493	7.1
189.09131	64.2
189.12737	18.8
189.16400	20.2
190.06299	1.9
190.09406	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09838	0.4
59.40629	0.4
67.96294	0.4
68.16345	0.3
70.62053	0.7
70.62418	0.9
84.04522	0.5
85.02933	0.5
85.44801	0.4
90.72448	0.4
91.05480	4.8
97.95836	0.4
103.05473	0.7
115.05465	5.4
117.05757	1.5
117.07008	3.8
118.06546	67.8
119.06915	0.9
128.02356	0.4
132.08075	0.4
141.65324	0.5
142.06520	5.6
143.07306	11.2
144.04414	0.7
144.08087	24.6
145.06581	0.4
145.08490	0.6
146.06013	100.0
147.06340	1.5
155.06030	1.1
160.07574	1.2
170.06017	8.6
188.07069	20.0
190.30728	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0708
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
51.05987	0.4
55.01896	0.4
55.36745	0.5
61.58307	0.4
63.92447	0.4
71.09740	0.9
79.71596	0.4
80.48006	0.4
91.05486	4.0
103.05474	0.5
115.05466	5.6
117.05754	1.7
117.07030	4.0
118.06554	67.7
119.06881	0.7
121.26927	0.5
132.08090	0.5
142.06514	6.8
143.07315	10.5
144.04413	0.7
144.08099	23.9
144.50702	0.4
145.06490	0.5
146.06023	100.0
147.06363	1.5
151.45380	0.5
155.06047	1.2
160.07590	0.8
170.06023	9.2
188.07082	19.2
189.07404	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77778	8.4
56.96569	53.8
58.99826	9.3
60.08156	21.3
64.79510	8.6
70.06590	24.9
70.71646	19.6
70.72000	11.4
70.98124	75.3
72.08158	71.8
73.38535	9.1
82.99804	11.1
84.08147	86.4
85.01402	21.7
85.02950	9.7
88.99155	34.3
97.01282	8.2
98.97581	100.0
101.00880	62.2
103.02432	30.0
115.02428	19.1
116.98627	37.3
119.01924	54.6
121.01662	16.4
121.03446	10.0
128.98595	24.4
129.03966	18.2
130.08650	27.9
131.01927	19.8
131.07996	9.0
131.14952	8.2
133.03464	37.7
135.05034	9.3
137.51820	10.5
137.90167	9.3
143.01886	11.9
145.03462	17.2
146.99661	35.3
147.01379	14.7
147.05026	40.6
161.02924	13.6
165.06116	17.3
171.02538	17.7
171.04945	10.6
173.96217	9.3
177.02414	9.4
185.02921	18.5
189.03702	14.4
189.06093	50.1
189.15950	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0911
Annotation	Butylidenephthalide
Peak:m/z	Relative Intensity
55.01844	0.6
55.05511	1.0
67.05502	0.6
69.03430	1.6
69.07069	0.9
70.84631	1.4
79.05476	1.3
81.07055	1.5
81.39150	0.5
83.01300	0.7
85.02895	0.7
86.09707	1.3
91.05482	3.6
93.07043	0.9
95.08617	2.0
98.97588	0.6
103.05486	1.1
104.36683	0.5
105.07041	12.9
107.08574	1.2
109.10174	0.6
113.13644	0.5
115.05470	1.9
117.07020	2.5
119.04919	2.1
119.08585	9.3
121.06549	0.8
128.05273	1.1
128.06224	21.4
129.07021	4.3
130.07788	2.2
131.04974	3.4
131.08557	1.7
133.06491	0.8
133.10124	6.1
141.06984	1.0
143.08565	40.3
144.08882	0.8
145.06493	2.4
145.10138	6.9
146.07281	3.6
147.08041	2.7
147.11699	2.3
155.06053	1.6
156.09352	1.4
157.06473	1.9
161.05971	1.5
161.09628	16.0
161.13263	1.7
171.08047	15.6
171.11699	1.8
172.08797	0.7
173.05980	1.3
174.06772	76.0
175.07195	0.9
189.09113	100.0
189.16415	1.7
190.09444	1.9
199.20590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87615	0.8
53.03955	1.0
55.05501	2.5
56.26365	0.7
57.07078	3.5
60.89657	0.8
65.03932	0.9
67.05510	8.3
69.07072	3.7
69.32822	0.7
70.01991	2.3
70.02400	1.4
79.05504	8.0
81.03432	0.9
81.07060	10.5
83.08613	1.4
85.02898	1.1
88.02235	4.2
91.05490	24.2
93.07056	9.8
95.05014	1.1
95.08624	7.0
103.05510	1.4
105.07037	25.1
107.08615	7.4
109.10165	0.9
115.05427	4.7
116.06236	2.5
117.07024	22.6
119.04926	1.3
119.08597	18.1
121.10125	2.4
128.06226	2.5
129.07019	6.1
130.07809	4.5
131.04942	2.1
131.08575	66.8
133.10114	4.4
141.06976	2.5
143.08578	7.5
144.09357	4.0
145.10132	97.2
146.10458	2.2
151.03915	0.9
154.07788	0.9
157.10156	2.7
158.10867	1.1
159.07047	0.6
159.08093	5.4
159.11710	23.9
169.10059	1.4
172.08800	2.7
172.12471	2.5
185.13264	1.3
187.02487	0.8
187.03903	3.9
187.07588	7.5
187.11313	8.2
187.14836	100.0
188.15186	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	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
52.69118	0.6
53.03946	0.6
55.05509	1.2
55.23168	0.5
57.07085	4.5
61.39017	0.5
67.05505	10.4
69.03420	1.1
69.07072	3.9
70.04512	2.5
73.33048	0.7
79.05501	7.5
81.03400	1.5
81.07063	7.3
82.06588	1.4
83.08625	1.0
88.02220	2.5
91.05486	26.9
93.07059	6.1
95.08615	3.8
103.05489	1.0
105.07038	22.7
107.08591	4.0
109.10161	0.9
110.11829	0.6
115.05442	3.3
116.06206	1.6
117.07031	22.8
119.04962	1.7
119.08588	17.3
121.10123	3.2
128.06264	0.9
129.07027	4.6
130.07794	6.1
131.04924	1.3
131.08578	65.1
132.08934	1.0
133.10167	4.6
141.06981	0.8
143.08551	4.6
144.09348	2.3
145.10135	100.0
146.10616	1.4
157.10179	1.7
158.10931	1.9
159.08067	1.8
159.10449	1.2
159.11708	15.1
172.12474	1.2
180.32608	0.6
187.03958	3.2
187.07596	2.4
187.11313	5.0
187.14835	89.0
188.15210	2.2
201.62502	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1483
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03936	2.1
55.01868	1.9
55.05506	3.5
56.96529	0.9
57.07071	2.8
61.02921	1.4
61.59127	0.9
65.03946	1.2
67.05507	4.6
68.14584	0.9
68.95975	1.0
69.03447	6.5
69.07058	2.6
69.58662	6.0
71.04979	1.4
71.72073	0.9
79.05509	6.3
81.03423	10.0
81.07069	7.0
82.06586	1.9
83.08610	2.1
84.04510	11.4
85.02914	5.1
85.06528	1.3
88.02200	4.4
88.07644	2.1
89.07971	1.3
91.05486	26.9
93.07040	2.7
95.04958	2.4
95.08610	3.2
97.02887	1.0
99.04451	1.7
103.05463	4.8
105.03396	1.2
105.07034	22.6
107.04955	1.1
107.08585	3.5
109.02876	1.6
115.05461	11.9
116.06242	9.1
117.07035	18.8
119.01300	1.3
119.04947	3.8
119.08576	11.3
121.06507	2.3
127.03873	1.5
128.06226	9.4
129.07011	17.4
130.07796	7.3
131.04951	7.3
131.08575	91.5
133.10120	3.5
141.06984	10.9
142.07756	2.7
143.08578	22.9
144.05721	21.5
144.09372	11.5
145.06503	8.1
145.10130	81.1
146.07228	2.0
146.10548	1.0
154.07796	3.9
155.06055	2.0
156.05695	1.4
157.06487	2.3
157.10162	8.6
158.07277	6.8
158.10919	15.9
159.04526	4.5
159.07083	1.4
159.08076	33.2
159.11697	68.7
160.08395	1.2
160.12019	1.4
169.06403	2.1
169.07721	1.3
169.10078	5.7
172.05206	11.7
172.08849	12.8
172.12471	5.9
187.03960	14.2
187.06097	1.7
187.07556	56.7
187.11201	41.1
187.14830	100.0
188.07851	1.7
188.15160	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	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03960	0.7
55.05516	1.1
56.96587	0.7
57.07086	4.5
65.03931	0.5
67.05511	2.6
69.03439	2.3
69.07086	0.6
71.51028	0.7
79.05489	3.1
81.03426	2.5
81.07058	3.9
82.06598	1.3
83.08633	1.9
84.04515	0.9
85.02917	0.9
88.02217	5.0
91.05489	8.4
91.06022	0.7
93.07055	1.4
95.04983	1.4
95.08638	1.5
99.04446	0.5
102.84970	0.4
103.05469	1.3
104.64137	0.5
105.03410	1.1
105.07040	13.4
107.08607	1.8
109.06512	0.5
115.05410	4.4
116.06264	2.3
117.07029	9.8
119.04976	1.8
119.08591	10.1
127.03909	0.6
128.06244	7.5
129.07011	7.8
130.07814	7.5
131.04956	3.0
131.08591	21.9
133.10150	2.2
141.06996	5.9
142.07808	1.5
143.04924	1.4
143.08571	12.5
144.05742	1.9
144.09355	6.6
145.06506	3.4
145.10135	100.0
146.07245	0.7
146.10510	1.6
153.07039	0.8
154.07814	3.6
157.06523	1.4
157.10146	7.9
158.07285	1.7
158.10915	5.8
159.04446	0.7
159.06992	0.9
159.08098	7.5
159.11703	21.4
169.06395	0.8
169.07693	0.8
169.10124	7.6
171.11745	0.5
172.08858	9.4
172.12489	9.1
185.13306	0.6
187.03947	6.0
187.05443	0.6
187.05815	0.6
187.07576	10.1
187.11220	23.7
187.14835	52.3
187.22491	2.1
188.15163	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1483
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03940	1.9
55.05503	2.9
57.07063	1.2
64.46173	0.7
65.03933	1.5
67.05174	0.8
67.05509	7.0
69.05642	0.7
69.07089	4.0
70.06570	0.7
71.51275	0.8
76.14857	0.7
77.03909	0.8
77.25896	0.8
79.05505	11.1
81.03425	1.8
81.07067	15.5
82.06565	1.3
83.08624	1.9
84.64408	0.7
85.02934	1.8
88.02225	4.9
91.05487	24.4
93.07053	17.2
95.04987	0.8
95.08618	12.5
103.05500	1.5
105.07042	39.3
106.07372	0.9
107.08610	11.4
109.10161	1.5
114.05481	0.7
115.05428	4.0
116.06257	3.8
117.06227	1.5
117.07027	23.1
119.04945	1.5
119.08591	18.1
120.24789	0.8
121.10113	1.3
128.06215	2.7
129.07018	9.4
130.07788	6.2
131.04948	2.7
131.08585	71.3
133.10149	5.6
141.06989	2.5
143.04909	0.9
143.08582	7.8
144.05737	1.2
144.09407	5.0
145.10138	79.7
146.10674	1.5
157.10143	4.7
158.07309	1.3
158.10915	3.3
159.06966	1.6
159.08090	2.4
159.11707	22.7
172.08844	2.0
172.12488	4.3
185.13246	1.3
187.03918	4.9
187.07574	3.7
187.11282	5.9
187.14851	100.0
187.22527	1.6
188.15302	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0391
Annotation	Psoralen
Peak:m/z	Relative Intensity
53.03942	0.4
53.84496	0.2
55.05516	0.3
65.03503	0.2
65.03941	0.3
67.05525	0.7
69.03426	0.6
69.51228	1.9
79.05487	0.4
81.03419	1.0
81.07065	0.4
85.02930	0.3
88.02229	1.1
89.03937	0.3
91.05495	2.0
93.07036	0.6
95.04975	0.4
95.08629	0.3
97.02905	0.4
103.05489	1.5
105.07050	1.6
107.08644	0.3
115.05463	31.0
116.06297	0.6
117.06998	1.3
119.04972	0.6
119.08595	0.4
128.06238	0.9
129.07011	0.7
130.07808	0.6
131.04938	42.5
131.08580	2.9
132.05275	0.6
141.06979	0.8
143.04935	18.1
143.08572	0.9
144.05652	0.5
144.09340	0.4
145.06517	0.8
145.10147	4.2
154.07758	0.4
157.10129	0.5
158.07324	0.4
159.04439	4.1
159.06969	0.4
159.08070	2.6
159.11671	1.9
169.10130	0.8
172.05284	0.5
172.08887	0.9
172.12511	0.5
187.03918	100.0
187.11197	3.7
187.14845	3.3
188.04265	1.8
198.91934	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0756
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
51.66486	0.3
53.03962	0.2
54.76599	0.3
55.05509	0.8
67.05499	0.8
69.03423	0.7
69.07073	0.8
70.06599	0.7
70.29678	0.9
71.04998	1.5
72.08169	0.3
79.05492	0.7
80.04984	0.3
81.03417	0.8
81.07069	2.8
82.06592	0.5
83.08622	0.5
84.04512	0.4
84.08136	0.9
85.06553	0.9
86.09697	0.5
88.02232	0.9
91.05489	2.2
93.07067	0.4
95.04948	0.3
97.02906	0.3
97.06519	0.3
98.97571	0.4
99.04417	0.3
103.05491	0.5
105.07038	0.8
107.08575	0.6
109.10168	0.8
113.20203	0.3
115.05444	1.9
116.06271	1.2
117.07021	0.4
119.08564	0.3
123.11716	0.5
127.03960	0.3
128.06265	0.8
128.07120	0.3
129.07018	1.2
131.04956	1.7
131.08600	1.9
133.10121	0.4
141.07024	1.3
143.04945	0.7
143.08603	0.3
144.05713	45.0
145.06221	1.1
145.10135	0.6
151.11238	0.5
154.07764	0.3
155.04890	0.7
155.06018	0.4
156.05727	0.3
157.06465	0.5
159.06982	0.3
159.08078	3.3
159.11728	1.0
165.52922	0.2
168.61832	0.3
169.10083	0.4
169.12291	0.3
172.05202	38.4
172.08806	0.7
173.05544	0.8
187.04085	3.5
187.07552	100.0
187.14865	0.7
188.07928	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	185.1326
Annotation	Chamazulene
Peak:m/z	Relative Intensity
51.02370	0.6
53.03936	0.7
55.05517	5.8
67.05499	1.6
69.03432	0.7
69.07063	1.7
70.47224	0.7
70.47570	1.7
70.93586	0.5
77.78718	0.6
79.05494	3.1
81.07055	2.0
83.08618	0.8
84.04491	0.6
85.02895	1.6
87.10045	1.5
90.82015	0.5
91.05492	6.9
93.07062	5.4
95.04964	1.1
97.10184	0.9
101.95025	1.4
102.96858	1.5
103.05488	1.3
105.07043	19.1
107.01316	1.6
107.08603	1.6
114.05524	1.7
115.05463	2.5
117.07027	3.3
119.08593	4.5
120.97890	1.1
123.04441	0.7
125.00018	1.1
125.02339	1.3
126.03131	2.4
126.05513	0.9
128.06241	17.1
129.07028	30.3
130.07773	0.6
131.08600	5.6
141.06996	5.5
142.07793	17.1
143.08578	62.6
144.09398	2.8
145.06436	0.9
153.01839	4.0
153.06978	0.8
155.06039	1.0
155.08569	6.9
156.09361	7.1
157.10144	35.0
158.10495	0.9
167.08588	1.0
168.09422	0.8
169.10204	0.9
170.10939	9.4
183.11690	1.2
185.06042	1.1
185.07803	1.6
185.09654	5.6
185.13277	100.0
186.07669	1.0
186.13623	3.0
197.38756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1327
Annotation	Chamazulene
Peak:m/z	Relative Intensity
51.46453	0.7
53.03943	1.5
54.99295	0.7
55.01859	0.6
55.05518	4.1
55.92675	0.7
56.96305	1.2
56.96571	21.1
57.07066	1.0
67.05497	2.4
69.07072	3.5
69.64331	4.5
70.06599	0.8
71.04984	0.8
71.59366	0.7
79.05498	4.8
81.03465	0.6
81.07078	4.0
83.08609	0.9
85.02915	1.6
91.05498	8.4
93.06572	0.9
93.07066	10.5
95.04965	2.1
95.08604	1.8
97.06525	0.7
97.99197	2.5
98.06086	0.7
98.97589	1.1
101.95017	2.4
102.96873	2.7
103.05517	1.5
105.04507	0.7
105.07043	24.8
106.07338	0.8
107.01314	2.4
107.08600	1.8
109.10134	0.7
111.04466	0.7
114.05537	2.8
115.05453	4.6
116.00273	0.7
116.98659	0.6
117.07033	4.9
117.70271	0.8
119.08611	5.5
120.97916	1.8
121.06527	0.6
121.10166	7.2
123.04463	1.0
125.02442	2.0
126.03182	3.4
126.05520	1.5
128.05276	1.4
128.06233	26.4
129.07024	40.4
131.08580	7.6
140.07048	0.9
141.02240	1.1
141.03865	0.9
141.07005	11.5
142.07797	37.7
143.08577	74.9
144.09233	3.6
145.06453	1.9
145.10085	1.0
152.06239	1.4
153.01833	5.3
153.05646	1.2
155.06058	2.7
155.08578	10.8
156.09361	17.1
157.06604	3.6
157.10146	62.7
158.10469	1.9
159.03299	0.9
159.06810	0.7
162.06163	2.3
165.07054	1.0
167.08572	2.2
169.06464	0.8
169.10100	1.2
170.07230	2.7
170.10934	18.2
171.02911	1.2
171.06744	1.9
182.57642	0.9
183.11685	2.0
185.01195	1.7
185.04527	1.2
185.06009	2.6
185.09657	18.1
185.13272	100.0
186.13643	3.1
186.22202	1.6
202.61201	0.7
203.02339	2.1
203.14340	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1327
Annotation	Chamazulene
Peak:m/z	Relative Intensity
50.41021	0.6
55.01854	0.9
55.05513	5.6
56.96564	1.2
57.07057	0.6
65.03956	0.8
67.05502	1.5
69.03438	0.8
69.07065	1.6
70.90055	0.8
70.90379	1.4
79.01845	1.2
79.05485	2.2
81.07056	1.4
83.04957	0.8
84.04504	1.1
85.02904	1.7
85.06522	0.7
89.98315	0.6
91.05494	5.8
93.07030	4.7
95.04977	1.5
97.06561	0.7
97.87006	0.6
101.95030	1.5
102.96873	1.6
103.05428	0.9
103.86193	0.6
105.04494	1.0
105.07030	12.7
107.01312	3.6
107.08623	0.8
114.05544	2.4
115.05464	4.2
117.07017	2.4
119.08570	2.6
119.96114	0.8
120.97890	1.1
123.04422	1.9
125.02357	3.3
126.03165	4.9
126.05502	1.5
128.05276	1.5
128.06233	29.7
129.07014	39.4
130.07808	0.8
131.08582	6.2
138.98903	0.6
140.07004	0.9
141.07007	15.6
142.07788	46.7
143.08572	62.5
144.05693	1.4
144.09402	4.6
145.06520	1.5
145.10129	1.1
152.06212	2.0
153.01825	7.8
155.06071	1.8
155.07402	1.2
155.08571	16.2
156.09361	22.2
157.06546	3.9
157.10141	66.0
158.10457	1.9
165.06976	0.9
166.07747	0.7
167.08568	2.6
169.06451	0.9
169.10136	1.9
170.07272	5.5
170.10930	26.1
171.02914	1.5
183.11707	2.4
185.04506	0.8
185.05969	1.9
185.09637	24.3
185.13268	100.0
186.07663	0.7
186.13622	3.1
188.59138	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1327
Annotation	Chamazulene
Peak:m/z	Relative Intensity
55.05509	4.3
55.06879	0.6
56.96558	1.0
61.48050	0.5
67.05495	1.8
71.51109	0.8
72.15987	0.5
78.95325	0.5
79.05509	3.0
81.07047	2.0
91.05068	0.6
91.05500	6.0
93.07063	4.6
95.04977	0.7
103.05478	1.2
105.07043	21.4
106.07372	0.9
107.01325	0.6
107.08652	0.8
115.05461	2.6
117.07024	4.2
119.08578	3.6
126.03147	0.8
128.05278	1.1
128.06226	19.9
129.07019	29.9
131.08563	6.4
131.88817	0.6
141.07001	5.9
142.07790	14.0
143.08574	74.4
144.09378	4.6
145.06500	0.6
145.10188	0.9
153.01877	1.5
155.05997	1.1
155.08612	5.8
156.09383	7.8
157.10147	36.3
158.10504	0.9
169.10085	0.7
170.07243	0.7
170.10938	9.3
183.11702	1.9
185.09846	3.2
185.13280	100.0
186.13588	3.1
202.61992	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1326
Annotation	Chamazulene
Peak:m/z	Relative Intensity
53.03952	1.2
55.01872	1.6
55.05521	4.7
56.80629	0.6
56.96561	1.3
59.57325	0.6
65.03921	1.4
67.05497	1.9
69.07080	0.8
70.55202	2.6
71.04982	0.6
75.00104	0.6
76.18576	0.6
78.77267	0.7
79.05507	4.2
80.33352	0.6
81.07047	2.3
84.09016	0.6
85.02898	0.8
90.06243	0.7
91.05483	8.5
93.07046	3.9
95.04957	1.0
95.62792	0.7
103.05452	1.5
105.07040	17.9
107.08576	1.6
115.05451	6.0
117.07033	5.5
119.08603	4.3
126.03104	1.1
127.05444	0.8
128.06236	30.3
129.07022	58.4
130.07320	1.6
131.08580	8.0
141.07005	19.4
142.07797	59.8
143.08578	72.1
144.05724	2.1
144.09409	3.8
145.06470	2.8
152.06177	4.9
153.01837	2.2
153.06909	0.8
155.00565	0.7
155.04970	1.1
155.06052	4.1
155.08572	10.3
156.09378	8.7
157.06526	13.1
157.10146	56.6
158.10448	1.5
165.07027	3.2
167.08600	6.1
168.09222	0.8
169.06418	3.4
169.07750	1.1
169.10152	0.8
170.07278	12.6
170.10962	11.1
183.11665	1.8
185.06070	8.3
185.09654	55.7
185.13271	100.0
186.10013	1.7
186.13655	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	185.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.8
55.01878	2.9
55.05518	1.4
56.74142	0.5
65.03954	1.9
66.80141	0.5
67.05494	0.6
67.99404	0.6
69.03434	1.7
69.07080	0.7
70.81643	1.2
70.82049	1.1
79.05503	2.8
87.78010	0.6
91.05479	3.3
93.07064	1.2
95.04984	1.1
103.05497	0.9
105.07055	2.6
107.01340	2.3
107.04986	1.0
111.08149	0.6
115.05457	9.9
116.06258	1.1
117.07019	2.1
119.04956	0.9
123.04429	2.2
125.02367	3.8
126.03140	3.8
128.06241	19.0
129.07019	36.4
130.07352	0.7
131.04935	1.7
131.08589	2.2
141.07002	24.5
142.07791	87.7
143.04979	0.7
143.08591	12.5
144.05696	2.4
145.06493	3.1
152.06241	8.9
153.01836	8.0
153.07005	0.8
155.04938	1.3
155.06064	2.3
155.08568	3.0
156.05716	1.3
156.09349	2.5
157.06523	10.6
157.10139	42.2
158.10495	1.5
165.07022	4.6
166.07736	1.6
167.08569	11.5
167.09897	1.0
169.06473	5.6
169.07713	1.6
170.07285	26.4
170.10909	3.3
171.02875	1.4
185.06126	5.4
185.09627	100.0
186.09955	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66503	0.4
53.03954	0.4
54.62531	0.4
55.01886	3.4
55.13402	0.4
57.91761	0.4
65.03950	2.3
69.03441	0.6
70.76698	1.1
71.71544	0.4
79.05506	1.6
79.70982	0.4
85.02899	0.5
91.05494	4.2
93.03427	1.0
95.19585	0.4
95.77010	0.4
95.82685	0.3
98.21435	0.4
103.05486	1.4
105.04440	0.4
105.07054	1.8
107.04962	0.6
115.05461	8.5
116.06271	0.9
117.07019	2.6
119.04943	0.7
125.02402	0.4
126.03109	0.5
127.05452	0.8
128.05280	1.0
128.06238	19.8
129.07021	35.4
130.07408	0.4
131.04948	1.6
131.08589	3.0
136.78227	0.4
139.34691	0.4
141.06999	21.0
142.07796	77.0
143.08591	12.5
144.05727	2.5
145.06494	4.3
152.06232	8.4
153.01822	0.9
153.06961	1.1
155.04906	1.9
155.06073	2.5
155.07503	0.5
155.08591	3.8
156.05704	0.9
156.09351	1.4
157.06517	15.8
157.10141	39.7
158.10471	0.8
159.08067	0.5
165.07007	4.9
166.07782	1.6
167.08577	10.9
169.06488	5.3
169.07684	1.2
170.07288	22.6
170.10939	0.8
171.07718	0.5
183.08034	0.9
185.06096	9.2
185.09633	100.0
186.09990	2.2
195.09209	0.8
196.18033	0.4
203.07129	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51751	0.6
55.01885	2.5
65.03953	1.6
69.03445	1.0
69.92786	1.8
69.93194	1.4
73.93996	0.5
79.05534	1.6
84.78616	0.6
90.60336	0.6
91.05492	3.3
103.05479	0.7
105.07076	1.2
107.04997	1.0
115.05471	9.1
116.06239	0.9
117.07019	3.0
128.06236	18.8
129.07025	37.1
131.04953	1.7
131.08591	1.9
137.29228	0.6
141.07010	24.4
141.27739	0.7
142.07800	80.0
143.08611	11.3
144.05722	2.8
145.06471	3.4
152.06226	10.1
153.01779	1.0
153.07002	1.8
155.04947	1.8
155.06062	1.5
155.08546	4.9
156.05598	0.8
156.09326	1.4
157.06529	13.3
157.10147	40.8
158.07027	0.7
165.07031	4.5
166.07822	2.3
167.08583	11.0
169.06470	4.7
169.07637	1.0
170.07285	25.6
170.10944	1.0
170.88641	0.6
171.07814	0.7
183.08099	0.6
185.06126	7.8
185.09639	100.0
185.13200	2.3
186.09966	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	185.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51195	0.4
55.01875	3.4
55.05523	0.7
56.96581	0.5
62.20001	0.4
65.03945	0.8
68.57638	0.5
69.03451	0.9
69.07061	0.4
69.70911	2.5
69.71203	0.7
72.77828	0.4
79.05502	1.7
80.07803	0.4
87.64223	0.5
91.05482	4.5
93.03437	0.6
93.07059	1.3
95.05012	0.8
98.20780	0.5
102.96900	0.8
103.05462	1.0
105.07053	4.1
107.01330	1.6
114.05562	0.7
115.05461	7.9
116.06248	0.7
117.07012	3.6
119.04954	1.9
119.08609	0.5
122.09129	0.4
123.04420	1.2
125.02373	1.9
126.03159	2.9
128.06227	20.7
129.07016	34.3
130.07359	0.7
131.08580	4.6
141.06184	0.3
141.06995	18.2
142.07788	100.0
143.04865	0.7
143.08577	30.2
144.05693	1.9
144.09271	0.4
145.06496	2.8
152.06216	6.2
153.01848	6.7
153.06905	0.5
155.06065	1.4
155.08585	3.6
156.09375	2.6
157.06558	5.6
157.10136	70.6
158.10464	1.4
159.07976	0.6
165.07051	2.7
166.07806	1.0
167.08582	8.7
169.06384	2.6
169.07773	2.3
170.07281	14.6
170.10965	3.1
171.02901	0.7
171.07744	0.6
185.06242	2.4
185.09625	98.8
185.13220	19.5
186.09949	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	185.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27538	0.3
53.03955	0.4
55.01875	3.0
55.05513	0.5
63.02369	0.4
64.01044	0.3
65.03945	2.1
67.05505	0.6
69.03435	1.1
69.64785	1.3
69.65194	0.8
77.03938	0.6
79.01849	0.3
79.05491	1.7
89.03954	0.3
91.05485	3.7
93.03415	0.5
93.07056	0.7
95.04961	0.6
103.05483	1.4
105.03394	0.7
105.07038	2.4
107.01307	0.9
107.04958	0.8
115.05461	8.4
116.06233	1.2
117.07031	2.9
119.04959	0.8
119.08549	0.4
123.04425	0.4
125.02382	1.0
126.03175	1.6
126.05548	0.4
127.05444	1.0
128.06232	25.5
129.07019	34.9
130.07373	0.4
131.04941	1.8
131.08588	2.0
135.00719	0.3
141.06996	22.8
142.07788	77.5
143.04948	0.8
143.08578	21.5
144.05721	2.2
144.22238	0.3
145.06500	3.9
152.06226	9.3
153.01840	3.1
153.06958	0.9
155.04906	1.2
155.06058	3.3
155.08574	4.1
156.05717	1.6
156.09369	1.6
157.06519	15.6
157.10136	38.3
158.10471	0.5
159.08051	0.5
165.07025	5.0
166.07816	1.8
167.08582	11.3
168.09019	0.5
169.06499	4.9
169.07678	1.2
170.07280	22.9
170.10950	1.1
171.07678	0.6
183.08075	0.9
185.06126	8.4
185.09627	100.0
186.10020	2.0
195.09174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0971
Annotation	N-(cyclohex-1-en-1-ylcarbonyl)glycine
Peak:m/z	Relative Intensity
53.03951	0.5
55.01871	1.1
55.05517	0.7
56.05059	0.3
57.03440	0.3
57.31443	0.3
58.02964	2.1
58.06603	0.5
60.04531	15.0
64.10275	0.3
67.05506	2.1
68.05015	0.4
69.03439	0.7
69.07073	100.0
70.02959	0.3
70.06598	0.6
70.07411	1.2
71.05002	0.4
71.08646	2.3
71.50249	0.5
72.08169	0.5
73.02941	0.4
78.43050	0.3
79.05507	1.1
80.05037	0.6
81.07073	0.9
82.02935	0.4
82.06589	0.7
83.04990	0.4
83.08640	0.4
84.08141	0.6
85.02899	0.8
86.02436	15.3
86.06080	1.0
86.09717	1.2
91.05462	0.6
93.07043	0.9
94.06621	0.3
95.04972	1.9
95.07329	0.3
95.08611	1.0
96.04509	1.7
96.05209	0.4
96.08142	1.1
97.02892	0.7
97.06539	5.3
98.06908	0.4
98.97554	0.3
98.98482	0.4
100.07631	0.7
101.00876	0.6
101.95049	3.1
102.96861	0.3
106.03751	0.3
107.08572	0.3
109.06532	0.3
110.06090	0.8
110.09714	1.7
110.10375	0.4
114.09186	0.4
116.98624	0.4
119.01945	2.0
119.96071	1.3
120.08131	0.4
121.10108	0.6
122.06075	1.1
124.03958	0.4
124.04774	0.5
124.07600	1.0
125.00022	1.0
125.05975	0.5
125.09624	0.5
126.03126	0.6
129.07047	0.4
137.03014	0.5
138.05466	0.7
138.09152	9.1
138.12811	0.4
139.11226	0.5
142.03517	0.3
143.08653	0.4
145.03445	0.7
152.03410	0.3
153.01846	1.0
155.01807	0.4
156.10205	4.5
157.10294	0.5
158.56595	0.4
161.02966	0.5
166.04942	0.5
166.07368	0.5
166.08647	4.2
172.56345	1.0
181.56801	0.8
184.07376	1.9
184.09702	24.9
184.13185	0.6
184.17015	0.5
185.09833	0.5
185.13376	0.4
200.07692	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0733
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05042	1.4
57.48536	0.4
58.06602	0.6
60.08167	18.2
67.24770	0.4
70.06572	0.5
71.07375	10.6
80.87292	0.4
86.03683	0.4
86.09709	100.0
87.10051	1.2
92.24686	0.4
93.07037	0.4
98.98470	19.4
101.95035	7.7
101.95648	0.7
104.10757	4.8
107.01327	0.4
110.01014	0.3
119.96065	2.4
125.00009	76.4
126.00408	0.7
129.07034	0.7
137.77299	0.4
137.97124	0.5
138.09154	0.5
141.07004	0.5
142.07758	0.9
142.97630	0.5
143.08560	0.5
153.01802	0.7
155.08626	0.5
157.10149	0.8
160.98729	0.8
166.08734	0.5
169.09897	0.6
170.10893	0.6
184.07347	82.7
185.09636	0.6
185.13283	1.3
203.10934	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0733
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05035	1.1
57.26568	0.4
57.54996	0.5
58.06601	0.9
60.08167	19.5
70.01994	1.8
71.07380	10.8
79.81169	0.4
86.09711	100.0
87.10052	1.2
87.68789	0.4
88.68051	0.4
93.49174	0.3
97.89063	0.4
98.21410	0.5
98.98472	18.1
101.95042	4.7
103.18681	0.4
104.10757	4.3
105.08385	0.4
119.96084	1.2
125.00014	83.5
126.00360	0.4
130.15965	0.4
142.07811	0.4
143.01045	0.4
152.51801	0.3
156.09138	0.4
157.09979	0.5
160.98633	0.6
184.07353	94.7
185.07706	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0733
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
53.57613	0.3
56.05033	1.4
58.06603	0.8
59.07393	0.8
60.08169	19.6
60.29805	0.3
60.50887	0.3
70.06611	0.6
71.07378	12.5
85.91277	0.3
86.09712	100.0
87.10045	1.1
98.21542	0.7
98.98475	20.0
101.95050	7.0
104.10748	4.6
119.96081	1.9
125.00014	80.7
136.69647	0.3
137.97112	0.7
142.07777	0.8
154.07126	0.3
155.08548	0.4
157.10065	0.4
166.08632	0.4
168.13824	0.3
169.09962	0.4
175.91109	0.3
184.07353	92.5
185.02986	0.4
185.07701	1.1
185.09570	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82927	0.4
56.05038	1.1
58.06609	0.6
59.07398	0.5
60.08168	18.0
70.06598	0.5
70.69028	1.2
71.07377	11.9
84.08144	0.5
86.09711	100.0
87.10052	1.1
95.07415	0.5
98.98473	19.4
101.95042	8.8
104.10746	3.4
110.06041	0.7
119.96066	3.7
120.08126	0.5
122.06004	0.5
125.00013	76.9
137.97127	2.3
138.05457	0.5
138.09196	1.1
143.01057	0.6
148.21907	0.4
152.57381	0.4
153.01849	0.9
156.06532	0.5
156.08907	0.5
160.98700	1.2
166.08653	1.5
175.55165	0.5
184.07353	94.4
185.07713	0.5
185.09615	0.7
185.31454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12944	0.6
56.05030	1.7
57.32032	0.5
58.06612	1.0
60.08167	20.5
69.86211	2.3
70.06564	0.5
71.07379	12.3
74.87431	0.6
82.33591	0.5
83.18066	0.5
86.09710	100.0
87.10020	0.7
98.20772	0.9
98.98474	17.4
98.99118	1.0
101.95032	9.2
104.10250	0.5
104.10760	4.8
107.01346	1.2
119.96097	3.0
125.00011	81.0
126.00366	0.6
126.03138	1.1
132.37210	0.5
137.97127	1.2
138.09135	1.1
142.07813	0.6
143.08589	0.5
153.01871	2.5
166.02646	0.6
166.08629	0.8
184.07353	92.8
185.07745	0.8
185.13316	0.8
193.21519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.70390	0.1
66.31786	0.2
71.48244	0.3
82.01464	0.1
82.99847	5.7
85.75730	0.1
86.99348	0.2
100.02487	0.3
101.00887	51.7
101.95031	1.2
102.00925	1.2
111.00423	0.4
119.01928	100.0
119.96065	0.2
120.02010	2.4
121.02351	0.4
124.02464	3.4
137.02965	16.4
138.03070	0.3
142.03506	23.1
143.01929	1.0
143.03612	0.9
160.04565	3.4
160.05800	0.3
161.02971	11.3
161.04320	0.5
162.03078	0.2
165.05083	0.3
179.04016	8.9
180.04228	0.2
184.04530	0.7
184.09760	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29658	0.6
56.15355	0.5
57.03443	0.6
59.65503	0.5
61.02914	0.5
69.03408	0.7
70.02541	1.4
70.02948	1.2
70.52589	0.5
73.02912	0.7
73.64019	0.6
80.94952	0.5
82.99845	7.8
84.01199	1.2
85.02885	0.9
96.99522	0.7
97.02870	0.7
98.21454	0.7
100.02462	0.8
101.00884	57.9
102.00967	2.0
102.02264	1.4
103.23597	0.6
105.40073	0.5
113.00865	0.9
115.00632	3.4
115.02412	0.9
115.89173	0.5
119.01923	100.0
120.02020	4.2
121.02380	1.0
124.02483	4.3
131.01935	0.6
132.02049	0.9
133.01663	8.2
135.03181	0.7
137.02962	14.3
138.02161	0.9
142.03499	21.1
143.01924	3.4
143.03677	1.0
144.02077	0.6
145.03452	0.9
151.02715	1.3
156.03177	6.4
160.04552	3.4
161.01520	0.9
161.02954	15.8
161.04330	0.8
162.03085	0.7
174.04292	1.1
179.02238	2.2
179.04033	10.3
184.02847	1.1
184.04622	1.6
185.03029	0.7
202.03816	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
55.01871	1.2
55.94702	0.5
56.10164	0.4
56.96561	0.9
57.03442	3.6
58.03777	0.5
59.50568	0.4
60.99606	0.5
61.02923	2.3
68.98284	0.5
69.03435	3.0
70.03798	0.5
70.99841	0.6
71.01375	0.5
71.05006	0.6
71.50193	0.6
73.02923	5.6
74.03255	0.6
81.03417	2.3
81.32601	0.5
82.99845	5.2
84.99593	0.5
85.02902	5.9
86.03702	0.8
86.09694	1.2
87.01884	0.5
92.86663	0.5
96.52470	0.5
97.02898	3.5
98.03212	0.8
98.97593	1.9
99.04455	1.0
100.02431	0.5
100.52786	0.6
101.00890	49.0
102.00973	2.2
102.02265	0.7
102.52504	0.8
103.00637	1.5
103.02373	1.1
109.53229	0.6
111.52999	0.8
113.00875	1.2
114.00999	1.0
115.00650	1.6
115.02446	1.9
116.98626	0.7
119.01929	100.0
120.01994	3.7
121.01677	1.4
124.02424	2.8
126.04020	0.5
127.03928	1.1
128.02510	0.6
128.98662	0.5
130.03586	0.8
131.01918	3.1
132.02081	1.8
133.01656	4.7
133.03442	1.7
134.03629	0.5
137.02156	0.3
137.02959	17.0
142.03510	20.6
143.01888	7.6
143.03625	0.7
144.02003	2.9
145.01648	2.7
145.03430	1.1
146.03612	1.3
147.01401	0.8
147.03177	1.1
151.02739	1.2
155.01889	1.5
156.02072	2.1
156.03264	2.1
157.01704	1.6
157.03459	1.5
158.03741	0.8
159.03232	0.6
160.04570	3.4
161.02972	17.1
162.03073	2.4
163.02669	1.1
165.05173	0.7
173.02983	1.3
174.03136	1.9
174.04439	0.7
175.02681	1.7
175.04614	0.5
179.02238	1.7
179.04047	9.9
184.04585	1.5
184.07402	0.7
185.02936	1.2
186.03171	2.2
187.02800	1.2
199.99962	0.5
202.03784	1.2
202.05670	0.7
203.04121	0.8
204.04185	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1381
Annotation	Chrysanthemyl acetate
Peak:m/z	Relative Intensity
52.19563	1.9
53.03945	4.0
55.01868	4.5
55.05520	15.3
55.18808	1.7
57.03435	7.2
57.07072	3.7
57.73709	1.8
58.81796	1.7
67.05184	2.4
67.05511	37.2
69.07067	17.6
69.30922	17.7
71.05009	13.5
74.77969	2.1
79.05499	15.9
81.07059	100.0
81.15318	2.2
83.04987	7.8
83.08604	6.0
85.06542	14.5
91.05479	20.1
93.07052	18.3
95.04958	4.9
95.08612	24.3
97.06521	6.7
98.98480	6.8
99.04449	2.8
99.08092	5.4
101.95045	2.7
105.03384	8.0
105.07027	38.1
107.08611	15.6
109.06516	8.4
109.10182	2.8
111.08083	5.9
113.06038	3.4
115.05457	3.6
119.08583	29.3
121.10161	37.5
122.76180	1.8
123.08065	5.3
123.11719	61.5
125.09602	2.2
127.07549	3.1
128.06235	2.2
129.07030	4.5
137.13219	3.0
141.07001	8.5
145.10165	2.0
147.11697	69.6
153.06976	10.2
154.07753	2.4
155.08559	27.5
165.12761	34.3
168.09404	13.4
183.08110	12.1
183.11676	19.4
183.13139	2.2
183.13902	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.117
Annotation	1,2-Dihydrostilbene
Peak:m/z	Relative Intensity
53.03941	2.0
55.01863	1.0
55.05504	2.4
56.96559	2.9
57.03427	1.6
59.48627	0.9
67.05486	3.2
69.03412	1.8
69.07070	1.5
69.61066	3.4
69.61502	2.7
71.05001	1.4
71.95257	1.2
79.01477	0.8
79.05488	1.8
81.07053	4.5
82.02293	0.8
89.07658	1.0
91.05478	3.6
93.07037	1.2
95.04963	6.2
95.08595	3.1
97.02888	1.0
98.98465	19.5
99.04447	1.6
101.95035	17.0
105.03397	12.5
105.07021	3.6
109.06512	1.5
109.10172	1.4
113.41003	0.9
115.05472	4.6
118.96764	2.2
119.08583	1.9
119.96080	7.2
123.04427	3.8
123.08027	1.0
123.11684	1.8
127.01566	2.5
127.03916	1.1
128.06223	6.6
129.06992	4.9
137.05963	1.6
137.09628	1.1
137.97086	3.4
140.04726	1.4
141.06981	17.9
141.07993	1.4
142.07787	12.6
142.97598	1.2
143.08563	8.0
152.06187	3.3
153.07002	63.1
154.07794	10.5
155.08563	52.5
156.09009	1.0
160.04634	1.6
165.05568	1.4
165.07045	2.7
166.07726	2.3
167.08577	19.3
168.09352	85.1
169.06471	1.0
169.09698	3.3
178.99843	1.0
181.10146	4.4
183.08228	5.3
183.11699	100.0
184.09822	1.1
184.12053	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	183.1017
Annotation	Dihydroconiferyl alcohol
Peak:m/z	Relative Intensity
51.02387	0.4
53.03947	1.5
55.01875	2.2
55.05503	0.8
57.03436	0.5
57.81997	0.2
65.03938	0.7
66.04724	0.4
67.05515	2.6
69.03416	0.5
69.07060	0.4
70.06592	0.2
70.61616	0.5
71.01389	0.2
71.04983	0.8
77.03949	0.4
79.05500	7.6
79.05972	0.4
80.05034	0.2
81.03416	0.6
81.07065	2.4
81.29062	0.2
83.04981	0.7
85.02919	0.5
85.06532	0.3
86.09700	0.3
91.05491	3.2
93.03429	0.3
93.07033	1.3
94.04197	3.3
95.04974	3.9
95.08613	2.4
96.05300	0.3
97.02894	0.3
97.06523	0.7
98.98470	2.5
99.04459	0.7
101.02412	0.2
101.95025	0.4
103.05475	3.8
105.03413	2.8
105.04495	1.0
105.07037	35.9
106.07388	0.5
107.04974	0.7
107.08591	0.5
109.02856	0.6
109.06526	1.7
109.10144	1.4
111.04460	0.5
112.28101	0.2
115.05452	0.6
119.08580	1.7
121.10116	0.3
122.03658	9.8
123.04443	2.4
123.07356	0.2
123.08091	1.6
124.05257	1.0
125.05965	0.5
127.01569	0.3
127.07555	0.7
127.47214	0.2
133.06502	28.2
134.06830	0.6
135.04385	0.3
137.05986	100.0
137.09547	2.7
138.06334	1.6
140.04692	0.8
141.05466	0.2
141.06992	0.3
147.08061	0.3
147.11702	0.2
150.06813	0.3
153.06956	0.6
154.73033	0.2
155.04817	0.3
155.07054	0.6
155.08640	0.4
155.10619	0.3
165.05507	0.5
165.09135	4.8
165.12752	0.4
166.08633	0.4
168.09334	0.9
183.05096	0.2
183.06528	1.2
183.08109	0.6
183.10103	0.7
183.11696	1.3
183.13640	0.4
184.09616	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	183.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79486	0.2
58.99887	0.3
67.05513	0.3
69.03426	0.2
69.85361	1.0
71.58385	0.2
73.02888	0.2
79.01539	0.2
82.01440	0.2
82.99844	5.7
95.04988	0.2
98.20822	0.2
98.98487	0.3
100.02489	1.1
101.00886	53.5
105.03398	0.6
107.14251	0.2
111.00455	0.5
118.03542	0.9
119.01926	100.0
120.02013	0.2
121.02374	0.5
124.02449	5.0
133.03424	0.2
136.21715	0.2
137.01871	0.4
137.02960	15.8
142.03503	31.8
143.01901	0.7
143.03633	0.2
146.70628	0.2
160.04562	11.0
161.02966	8.9
165.05138	0.3
173.02945	0.2
177.00992	0.5
178.05611	1.4
179.04028	7.7
179.05605	0.4
184.04564	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
53.96131	1.1
55.01876	11.2
56.68663	0.9
56.96565	3.3
57.03442	23.4
57.60801	0.8
58.99848	2.2
61.02930	17.7
64.77267	0.9
68.98296	2.4
69.03085	1.6
69.03432	22.7
69.08454	0.9
70.03748	1.3
70.43345	1.0
70.99854	4.1
71.01340	2.2
71.04991	1.5
73.02917	49.2
74.03257	1.3
74.67180	1.0
77.00916	1.5
79.02151	2.3
81.01893	2.3
81.03425	10.2
82.99830	7.4
83.01295	1.0
83.05022	1.2
85.02905	34.7
86.03687	2.3
86.99340	1.7
87.01890	3.5
87.04487	1.5
87.51933	1.1
88.02689	5.0
89.00885	1.5
93.01888	4.4
94.02675	5.8
94.93004	1.1
94.99821	2.3
96.02436	3.6
96.92827	5.2
97.01409	2.0
97.02293	2.2
97.02892	30.4
98.97551	2.2
99.01884	3.3
99.04469	4.5
100.00143	1.4
100.02647	5.2
101.00883	60.1
101.02496	1.8
101.03419	1.3
102.00981	2.9
102.02412	9.9
103.00620	1.1
103.03181	1.4
103.03897	1.1
105.00380	1.6
105.01910	1.7
106.02682	1.8
107.03441	0.9
108.02423	4.7
108.52530	1.2
109.02829	7.8
111.02920	10.3
111.52995	1.3
113.00872	17.4
114.00973	4.2
114.02370	4.8
115.02424	6.3
115.03198	3.5
115.03934	1.9
117.02913	2.4
119.01923	100.0
120.02173	3.7
120.03358	1.8
123.02924	7.6
123.52966	2.2
124.02453	1.7
125.00828	1.1
126.02439	1.0
126.03394	1.7
127.02445	6.6
127.03960	7.4
128.02391	1.3
128.98610	1.7
129.00430	1.3
129.02898	4.5
129.03957	2.9
129.52977	1.9
131.01903	36.4
131.02849	2.1
132.01990	10.6
132.03456	2.9
133.01620	2.2
133.03477	6.1
134.03645	1.4
135.02953	1.4
137.00838	1.2
137.02959	16.1
138.03406	7.6
139.02396	2.8
141.03960	1.5
142.03508	15.8
143.01901	44.5
144.02000	4.8
144.03441	3.8
144.51599	1.2
145.03445	16.7
146.03542	2.8
147.01401	3.0
147.03955	2.2
147.05013	1.2
149.02930	4.7
150.03081	2.1
151.02545	1.4
153.03967	4.6
155.01900	37.4
155.03629	6.5
156.02094	3.6
156.03294	1.7
157.01576	1.3
157.03465	16.1
158.03535	1.5
159.01411	1.5
160.04527	5.7
161.02960	41.4
162.03152	4.2
162.04434	1.0
163.02708	1.1
163.04459	1.6
167.01895	10.9
169.01588	1.0
169.03477	3.1
171.01396	1.3
173.02974	40.1
173.04524	2.5
174.03131	5.6
174.04482	1.4
175.02861	1.3
175.04555	2.9
178.02544	2.3
179.04008	5.3
181.03510	1.6
183.01503	1.0
183.03175	1.5
183.04872	1.3
183.14970	2.3
184.04654	1.1
185.02959	30.2
185.04597	2.0
186.03094	3.9
187.04518	3.5
189.02518	1.4
191.03986	2.9
197.02933	4.6
198.03156	1.2
199.04498	1.5
201.04240	2.9
203.03987	15.1
204.04210	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	182.1541
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
53.03944	1.0
54.98143	0.6
55.01875	1.1
55.05515	8.2
57.03436	1.3
57.07058	2.6
58.02964	35.6
58.06580	0.8
65.81856	0.7
67.05509	24.2
69.03440	0.8
69.07071	69.5
69.16792	6.6
70.06577	2.8
70.07396	0.9
71.55208	0.6
72.08153	0.9
74.06083	1.4
79.05495	7.0
81.06593	1.1
81.07059	22.3
83.04967	2.1
83.08624	8.6
84.04511	0.8
84.08144	9.9
86.06068	1.6
91.05467	6.4
93.07051	11.4
94.06521	0.8
95.04959	2.1
95.08611	9.6
97.06539	4.8
98.06065	3.0
98.06715	0.5
98.09711	2.9
98.20724	1.3
98.97582	1.2
99.97977	0.9
100.07619	8.2
105.03408	0.6
105.07034	15.3
107.08596	19.0
107.32220	0.7
108.08940	0.7
108.38260	0.6
109.06513	2.8
109.10162	48.9
110.06873	0.8
110.10496	0.9
112.07618	2.9
112.08298	0.6
112.11282	0.7
112.31518	0.6
114.08412	1.2
114.09173	16.6
116.98638	0.7
119.08559	2.1
121.02456	0.6
121.10129	1.9
123.08051	0.7
123.11707	8.0
124.11240	1.0
126.09152	12.9
126.12781	1.9
129.81442	0.6
133.10139	28.5
134.44081	0.7
135.11687	20.7
136.07597	1.3
136.12109	0.7
137.13321	1.0
138.12782	24.7
140.10707	1.6
140.14328	1.8
141.06927	0.6
142.07761	0.7
145.68204	0.6
146.10335	0.6
147.11700	5.5
151.11179	9.6
153.06989	1.4
153.12755	12.4
154.08708	1.1
154.15919	2.1
155.08606	1.3
164.14346	3.6
165.12759	2.5
166.07341	0.8
166.46388	0.6
167.08237	1.5
168.09351	2.7
182.15414	100.0
183.11708	3.0
183.15746	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	182.0814
Annotation	3-azaniumyl-3-(4-hydroxyphenyl)propanoate
Peak:m/z	Relative Intensity
55.05519	0.8
56.96579	0.7
58.06602	0.6
59.91570	0.4
60.04526	0.5
65.03946	7.8
67.05508	94.6
68.05843	0.9
69.03434	1.3
69.07075	6.9
69.09888	0.3
70.82709	0.4
70.83038	0.8
72.52675	0.4
79.05516	1.2
80.05024	0.7
81.03407	0.4
81.07056	1.0
81.93909	0.4
83.04990	0.5
83.08656	0.5
84.08141	0.7
84.33018	0.4
85.02890	0.5
85.62365	0.3
86.02437	2.3
86.06074	1.2
91.05495	1.6
93.05099	0.3
93.05740	0.6
93.07063	0.8
94.06558	1.1
95.04974	100.0
96.05298	1.2
96.08126	0.4
98.97597	1.4
105.03376	0.6
107.08617	0.4
108.04472	0.5
108.08136	1.8
109.06528	0.7
112.07616	0.4
113.06013	2.0
116.98637	1.1
119.04995	0.5
119.08590	0.6
119.97892	0.9
122.06062	0.9
123.04431	1.3
123.08099	1.1
124.07616	0.6
126.09174	0.6
134.05983	0.4
136.04771	0.9
136.07576	7.5
136.08537	0.6
137.06010	0.8
137.09613	0.7
138.06328	0.5
140.07057	0.7
145.06561	0.4
147.04404	0.5
154.08636	8.9
157.55701	0.4
158.96317	0.5
158.99707	0.5
164.04292	0.8
164.07056	3.2
165.09113	0.4
172.33932	0.4
172.35915	0.3
182.00908	0.7
182.04587	0.8
182.08134	18.0
182.11789	1.5
183.08348	0.5
197.82303	0.4
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	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
55.01880	0.2
56.96571	0.3
57.26610	0.2
58.32543	0.2
63.86386	0.2
65.03948	0.9
66.32961	0.2
67.05506	0.6
69.43995	1.0
71.05004	0.3
77.03941	0.5
79.05498	1.2
80.05030	0.5
80.05807	0.2
81.03432	0.4
81.07059	0.7
82.07401	0.4
83.05003	0.3
91.05487	4.3
92.05018	0.3
92.05839	0.4
93.05779	0.7
93.07049	3.2
94.06567	0.8
94.07388	0.4
95.04980	2.4
95.08591	0.3
96.05333	0.3
98.97569	0.3
99.04480	0.3
104.05814	0.4
105.03390	0.4
105.04523	0.7
107.08614	0.3
108.04488	0.8
108.08144	2.2
108.08880	0.4
109.02771	0.2
109.06552	0.3
112.04010	0.2
114.72086	0.2
118.06573	0.3
121.06548	0.2
122.06039	1.7
122.06831	0.4
122.10477	0.5
123.04391	0.9
126.05527	1.9
126.06354	0.2
130.03035	0.2
136.07587	100.0
137.07982	1.5
137.09528	0.2
137.78362	0.2
140.04668	0.4
140.07083	2.3
150.06381	0.3
154.08633	0.6
155.07048	0.3
164.07077	49.9
164.11563	0.6
165.07397	1.0
167.07013	0.4
182.04471	0.5
182.08105	1.0
182.12555	0.3
183.11531	0.3
183.45094	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	182.0814
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
51.02387	0.2
53.03951	2.0
55.01873	0.3
55.05501	0.3
62.03039	0.2
65.03948	0.6
67.05518	0.9
69.14083	0.2
70.67399	0.5
71.04973	0.3
71.91216	0.2
77.03943	0.9
79.05499	1.5
80.05045	0.3
81.03426	0.4
81.07059	0.8
83.05000	0.7
84.05320	0.3
91.05488	4.4
92.05825	0.5
93.05788	0.6
93.07051	3.7
94.06577	0.8
94.07391	0.6
95.04971	2.6
95.08589	0.2
96.05325	0.2
97.06551	0.4
98.06862	0.2
98.97626	0.4
104.05785	0.2
105.03404	0.2
105.04523	0.6
108.04487	0.7
108.08144	2.8
109.06535	0.2
118.06577	0.3
122.06036	1.9
122.06860	0.5
122.10466	0.3
123.04434	1.0
125.06004	0.3
126.05512	1.6
126.06368	0.6
128.87283	0.2
136.07588	100.0
137.07939	1.5
140.04683	0.3
140.07048	2.3
150.06317	0.4
154.08592	0.3
164.07080	51.5
164.11571	1.8
165.07430	1.0
167.07083	0.4
182.08063	1.0
182.12627	0.4
183.06631	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1225
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03944	2.2
55.01865	1.7
55.05510	3.9
56.96561	2.0
57.03440	6.1
57.07068	1.4
59.04992	2.0
65.03948	1.5
67.05509	6.1
69.03440	8.2
69.07082	6.5
70.63693	2.3
71.04998	3.7
78.04711	0.8
79.05500	20.9
81.03422	0.8
81.07066	22.5
83.04983	3.0
85.06554	1.6
91.05490	14.1
92.02636	1.1
93.03389	0.9
93.07049	29.2
95.04984	5.3
95.08620	6.0
97.06535	6.2
98.97595	18.0
103.05476	1.9
105.04518	0.8
105.07038	18.0
106.04248	1.0
107.04964	2.8
107.08604	100.0
108.08924	1.7
109.06525	25.3
109.10171	2.9
111.04449	1.4
111.08099	2.2
115.05456	0.9
116.98624	7.9
117.07043	2.6
119.06128	1.1
119.08608	5.8
120.02107	1.1
121.06503	7.8
121.10153	14.5
123.08067	8.1
125.06007	3.0
125.09600	1.2
130.07796	2.4
134.99669	3.0
135.04478	1.1
135.08064	2.0
135.11708	35.5
137.09650	4.1
139.03938	1.1
139.11217	4.1
140.04712	2.1
141.07005	2.0
143.08597	1.2
144.16002	0.7
145.10132	19.0
149.05965	2.3
152.06194	1.3
153.05460	1.9
153.07027	3.7
162.25014	0.7
163.07590	2.7
163.11191	41.1
165.07031	22.1
166.02654	1.6
166.07803	23.9
181.05003	5.3
181.06514	1.8
181.08641	2.1
181.10168	19.7
181.12273	17.4
181.13699	1.2
182.12680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.02382	0.5
53.03938	1.5
54.30647	0.3
55.01876	2.4
55.05511	5.2
57.07067	1.2
65.03942	1.2
65.89433	0.3
67.05511	3.3
69.03082	0.6
69.03434	7.8
69.07076	3.3
69.53664	0.9
69.54084	1.4
71.05000	1.9
77.03922	0.7
79.05496	30.1
80.91422	0.3
81.07062	9.4
83.04992	2.2
83.08620	3.7
85.06541	1.4
91.05483	12.8
92.85324	0.3
93.07048	31.5
94.07371	0.4
95.04973	2.5
95.08624	3.2
97.02893	0.5
97.06541	3.0
98.97593	5.0
99.04446	2.4
103.05465	3.2
105.04520	0.7
105.07038	10.6
106.04169	0.4
107.04991	2.1
107.08599	100.0
108.08918	2.3
109.06506	2.3
109.10170	0.8
111.04465	0.8
111.08090	0.7
113.06052	0.4
115.05461	0.4
116.98626	2.5
117.07024	1.6
119.06077	1.1
119.08581	3.1
121.06522	6.9
121.10149	26.3
122.10485	0.7
123.08078	1.9
125.02393	2.3
125.05995	2.6
125.09529	0.4
130.07788	0.5
131.04903	0.6
133.10143	0.4
135.08064	2.8
135.11697	16.3
136.12114	0.5
137.05992	0.5
137.09615	0.5
138.03098	0.5
139.07558	0.7
139.11205	0.5
140.04697	7.5
145.10120	4.5
146.66946	0.4
149.05992	3.1
153.05490	3.6
153.06781	0.5
153.12755	0.9
163.03938	0.6
163.07544	0.7
163.11189	12.9
163.14870	0.5
165.07013	0.7
166.07793	1.0
171.06464	0.3
181.05098	1.6
181.06451	0.7
181.08665	1.9
181.10185	1.0
181.12236	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	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03937	1.3
54.78178	0.4
55.01866	1.4
55.05511	5.0
56.96553	0.9
57.03190	0.5
57.03443	5.9
57.07066	1.0
65.03934	1.2
67.05511	3.7
69.03090	0.5
69.03435	8.5
69.07070	2.7
71.04993	2.8
71.50563	0.6
77.03902	0.9
77.31930	0.4
79.05496	29.8
80.05828	0.6
81.03405	0.6
81.07063	7.4
83.04987	3.0
83.08625	5.2
85.02903	0.6
85.06554	1.3
90.75467	0.4
91.05479	10.9
93.07048	25.7
95.04974	3.4
95.08602	2.8
97.06548	2.7
98.97594	8.6
99.04464	2.1
100.11258	0.6
103.05468	1.1
105.04499	0.7
105.07038	10.2
106.04217	0.4
107.04953	1.4
107.08597	100.0
108.08932	1.6
109.06524	2.7
109.10155	1.3
111.04427	0.6
111.08101	0.9
116.98636	4.6
117.07014	1.1
119.06094	1.1
119.08571	3.1
121.06528	3.5
121.10146	21.6
123.08073	1.4
125.05989	3.1
125.09619	0.5
130.07854	0.7
134.99654	1.1
135.04442	0.8
135.08087	2.0
135.11691	18.2
136.07591	0.4
137.05948	0.9
137.09656	0.7
139.07567	0.6
139.11142	0.7
145.10138	4.2
149.05972	0.4
153.05453	0.5
153.06967	0.4
153.12755	1.4
163.03899	1.5
163.07542	0.6
163.11185	14.3
165.07063	0.8
166.07834	0.9
166.38902	0.4
172.74065	0.4
181.05064	2.1
181.06445	0.7
181.08748	2.8
181.10190	1.9
181.12183	4.7
182.19115	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1225
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.02378	1.2
51.66149	1.0
53.03950	7.9
55.01878	8.2
55.05514	3.9
57.03446	7.4
57.07083	23.2
59.04993	2.2
65.03931	4.6
67.05517	3.8
69.03429	2.0
69.07072	4.5
69.72977	1.6
69.73393	3.4
71.05000	2.8
75.04480	2.1
77.03943	2.3
79.05499	17.3
81.03414	6.4
81.07059	6.7
83.04988	47.8
83.08617	1.4
85.06557	2.1
89.03909	1.3
91.05489	27.7
93.03425	3.7
93.07050	26.0
95.04977	21.2
95.08640	3.1
97.02910	2.1
97.06540	27.0
98.97591	14.0
103.05478	17.3
105.04535	2.5
105.07050	9.1
106.04197	4.8
107.04966	10.4
107.08607	23.3
108.02113	1.0
108.04527	1.0
109.06522	4.0
109.10160	3.0
110.03689	1.2
111.04443	1.5
111.08063	1.5
116.98620	7.8
117.07037	4.1
119.04933	1.1
119.08601	6.8
120.02151	1.5
121.06516	42.8
121.07391	2.2
121.10152	25.0
122.07300	3.4
123.08100	2.7
125.02375	10.0
125.06005	66.1
130.07835	1.9
131.04955	1.9
134.03665	2.1
134.99692	1.4
135.04488	1.8
135.08078	8.8
135.11697	7.3
136.07585	35.9
137.06001	3.1
137.09639	8.2
138.03104	1.9
139.07558	1.9
140.04694	29.0
145.10149	11.9
148.05228	1.6
149.05998	26.0
150.06351	1.2
153.05482	12.1
153.09113	4.5
163.07582	4.2
163.11197	100.0
164.07094	16.6
164.11606	2.7
166.02553	1.2
166.06273	1.4
181.05006	8.0
181.06354	1.3
181.06981	1.3
181.08629	16.4
181.10049	1.2
181.12250	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1225
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03947	4.7
53.55740	1.4
55.01865	1.6
55.05518	39.5
56.96569	10.4
57.07082	15.7
61.07740	1.4
65.03934	2.1
67.05515	11.8
69.03434	2.7
69.07067	5.5
70.11623	2.9
70.12003	4.4
71.05025	1.6
71.95287	2.4
72.36312	1.3
72.59010	1.3
74.53528	1.5
79.05495	9.8
81.07072	14.3
83.04984	22.9
84.87236	1.6
85.06572	4.4
85.48615	1.3
91.05487	10.3
92.02618	6.6
93.07050	28.9
95.04959	7.4
95.08620	16.0
97.06536	15.9
98.20872	1.7
98.97594	100.0
103.05489	2.9
105.07047	11.2
107.04961	4.5
107.08593	33.5
109.06527	8.7
109.10174	4.0
111.04459	83.0
111.08076	5.3
113.06036	3.0
116.98636	47.4
117.07008	3.8
119.08586	5.4
120.02096	10.8
121.06539	7.3
121.10151	9.5
122.07291	2.0
123.08085	1.9
125.06008	50.5
127.07575	2.9
130.07787	4.6
131.88467	1.3
134.99696	14.9
135.04381	1.6
135.08081	27.4
135.11697	22.8
137.02342	1.7
138.03125	2.4
140.00221	7.5
140.04634	3.2
145.10136	19.1
148.01593	2.6
148.54881	1.3
151.54570	1.4
153.05504	1.5
153.12772	2.7
158.01271	2.7
163.11198	33.9
165.07047	12.6
166.02618	6.9
166.07811	18.0
166.64377	1.5
181.04988	20.0
181.06497	3.2
181.10155	14.0
181.12254	28.3
181.13725	2.7
184.03738	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	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.05511	1.6
57.07085	1.3
59.04994	3.2
65.79044	0.8
67.05524	1.5
69.03419	2.0
69.07067	3.6
70.21070	1.3
70.21465	1.5
71.04996	0.8
79.05499	6.4
81.07056	6.1
83.04972	1.2
91.05468	2.9
93.07045	18.2
95.08059	1.3
95.08615	15.4
97.06530	1.3
98.20840	1.3
98.97575	4.6
105.07030	3.6
107.04961	1.3
107.08599	33.9
108.08881	1.0
109.10134	2.1
111.04459	1.3
111.08070	1.0
116.98598	1.7
119.08581	3.5
121.06516	5.0
121.10147	17.8
123.08075	2.6
125.06001	3.3
125.49160	0.6
130.07780	1.3
135.08052	1.0
135.11700	43.2
136.12062	1.4
139.07538	6.9
145.10130	10.6
153.12756	1.5
163.11191	28.9
181.12244	100.0
182.12512	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1013
Annotation	9,10-Dihydrophenanthrene
Peak:m/z	Relative Intensity
52.47924	0.5
56.56107	0.4
57.63538	0.4
60.33852	0.5
69.01161	0.4
69.31487	2.4
69.31908	1.3
91.05492	0.5
93.07034	0.8
98.21535	0.9
98.97578	3.8
107.08583	0.7
115.05460	0.6
116.98615	1.3
124.29373	0.5
125.60355	0.4
135.11720	0.6
141.07016	6.0
152.06218	3.0
153.07010	9.7
163.11150	0.9
164.06082	0.5
165.07010	82.9
166.07794	100.0
167.08121	3.5
178.07773	0.6
179.08571	3.9
180.09346	1.2
181.10130	57.9
182.10463	1.1
183.08043	1.6
193.07637	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
54.07045	0.2
55.01877	0.7
55.05506	0.8
56.96563	1.8
57.03434	0.6
57.07057	0.6
59.05014	0.3
59.61370	0.3
60.10225	0.3
67.05499	0.9
69.03418	0.7
69.07075	0.6
69.73776	0.7
69.74193	1.1
71.05007	0.4
71.95242	0.4
79.05495	2.5
81.03423	0.4
81.07066	1.5
83.04986	1.6
83.08619	0.5
91.05492	1.4
91.28970	0.3
93.07048	3.9
95.04971	0.9
95.08622	0.6
97.06533	1.6
98.97585	18.9
103.05486	1.4
105.07034	1.6
107.04936	0.9
107.08595	3.4
109.06523	0.9
111.04426	0.5
115.05470	0.9
116.31364	0.3
116.98623	9.7
117.06921	0.4
119.08570	0.5
120.02116	0.3
121.06494	1.4
121.10136	5.7
125.02330	0.4
125.06001	2.5
125.09698	0.3
125.22363	0.3
133.66760	0.3
134.99666	2.5
135.04405	1.4
135.08076	1.7
135.11678	1.5
136.07552	0.4
140.00235	0.8
140.04710	0.6
141.05974	0.6
141.06990	6.7
142.07683	0.3
145.10139	0.9
149.05965	0.7
152.06215	3.5
153.06999	10.3
155.45122	0.3
158.01280	0.4
163.03902	0.7
163.07541	0.5
163.11174	3.9
165.04143	0.4
165.07005	89.1
166.07784	100.0
167.08127	2.5
178.07788	1.1
179.08548	3.2
180.09308	1.4
181.04935	1.6
181.06812	1.6
181.10121	60.2
182.10471	1.9
183.08072	1.3
185.49925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1013
Annotation	9,10-Dihydrophenanthrene
Peak:m/z	Relative Intensity
53.03931	0.9
55.01855	1.4
55.05516	4.1
56.96571	8.0
57.03423	1.0
57.07085	5.8
57.97339	0.6
59.04994	1.0
63.02366	0.7
64.03161	0.7
65.03913	1.6
67.05515	7.3
69.03399	1.4
69.07069	2.8
71.01334	1.4
71.04982	0.6
71.95232	2.1
79.05500	7.4
81.03416	3.7
81.07066	4.6
82.04178	1.0
83.04987	13.9
83.08583	1.7
85.06516	1.6
91.05502	3.8
92.02071	0.8
92.02633	15.1
93.07051	10.7
95.01303	0.7
95.04975	6.0
95.08584	1.9
95.94707	0.6
97.06535	7.7
98.97592	72.0
103.05465	0.8
105.07022	1.8
107.04973	2.8
107.08602	8.1
109.06521	1.2
109.10140	0.9
110.03674	0.7
111.04433	1.0
111.08076	0.8
116.97234	1.4
116.98629	50.4
117.06998	1.4
119.08574	2.2
120.02090	24.4
121.02847	1.0
121.06517	3.7
121.10157	7.9
123.08087	0.6
125.02360	0.8
125.06004	16.9
125.09666	0.8
130.07758	0.7
133.10092	0.5
134.99670	25.2
135.04382	2.1
135.08086	1.5
135.11722	6.4
135.61108	0.6
136.07597	0.9
137.02382	3.9
137.09644	1.2
138.03125	9.5
139.03909	0.8
139.07498	0.9
140.00221	6.8
140.04678	1.4
141.07027	6.4
145.10100	4.1
148.01550	4.9
149.05959	1.0
152.06192	3.3
153.00690	2.1
153.01854	2.0
153.05582	1.4
153.07005	8.0
153.12856	0.6
158.01271	4.2
163.03882	1.5
163.07541	0.8
163.11197	24.8
165.07014	86.2
166.02632	20.9
166.07799	100.0
167.08173	2.6
178.07776	0.9
179.08542	3.8
180.09346	1.6
181.04980	51.1
181.06425	2.1
181.08685	2.2
181.10138	59.4
181.12215	9.2
181.73859	0.5
182.05264	0.7
182.10458	1.0
183.08105	1.3
184.03687	11.1
185.03883	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.086
Annotation	Pestalopyrone
Peak:m/z	Relative Intensity
50.69478	0.9
56.57730	0.9
57.03441	100.0
67.05500	1.4
69.95204	1.9
69.95589	2.1
74.86382	0.8
77.58633	0.8
79.05494	3.4
81.07043	2.5
91.05466	2.3
93.07044	5.6
95.04969	1.7
95.08626	1.5
98.97604	6.9
103.05476	2.2
105.07002	1.4
107.04971	2.3
107.08587	3.7
116.98641	3.0
121.06519	3.9
121.10150	3.2
125.02319	1.4
125.06026	1.3
135.08102	1.2
135.11639	1.8
140.04689	3.5
145.10136	1.3
149.05965	1.7
153.05492	2.4
153.07013	2.8
163.11157	2.5
165.07024	6.9
166.07782	6.0
181.05046	2.0
181.06770	1.2
181.08604	16.5
181.10149	4.7
181.12091	1.2
184.27829	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1013
Annotation	9,10-Dihydrophenanthrene
Peak:m/z	Relative Intensity
52.44619	0.5
53.80871	0.4
56.96560	0.7
66.33700	0.6
69.55475	3.6
73.33852	0.5
75.13984	0.5
97.06539	0.5
98.97594	5.6
103.05471	0.5
107.04904	0.5
112.63265	0.5
112.90523	0.5
115.05437	0.7
115.53325	0.6
116.98619	2.1
134.99699	0.7
136.09225	0.6
141.07008	6.6
152.06221	2.0
153.07013	10.8
157.03856	0.6
163.11203	0.9
165.07013	79.6
166.07796	100.0
167.06871	0.5
167.08131	2.7
168.12080	0.6
179.08583	3.9
180.09387	1.3
181.10133	63.8
182.10486	2.2
183.08028	1.5
193.07819	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.086
Annotation	Pestalopyrone
Peak:m/z	Relative Intensity
50.62525	0.7
51.02391	0.9
51.35903	0.8
53.03944	4.4
55.01873	12.1
55.05506	1.7
57.07078	0.7
65.03931	1.9
67.05495	1.3
69.03441	1.3
70.67033	1.7
71.04993	0.8
77.03927	1.4
79.05075	0.8
79.05505	9.8
81.03420	0.9
81.07053	2.4
83.04978	1.7
83.08611	0.8
90.83154	0.7
91.05485	19.0
92.58295	0.8
93.03416	2.2
93.07048	23.8
95.04988	5.5
95.08619	1.9
97.02886	5.1
97.06573	0.9
98.97589	3.7
103.05473	34.1
105.04510	1.4
105.06511	0.7
105.07052	7.5
107.04962	13.0
107.08604	14.4
110.03675	3.2
111.04491	1.0
115.05503	0.9
116.98613	1.9
119.04951	2.3
119.08558	1.3
121.06516	56.8
121.10143	6.0
122.06896	0.8
123.04361	0.7
125.02360	31.4
125.05997	3.1
131.04944	5.9
135.04373	0.8
135.08073	8.9
135.11736	3.4
136.07564	2.1
137.05983	1.2
138.03140	4.2
139.03868	1.1
139.11201	0.8
140.04694	100.0
141.05052	2.0
145.10109	1.3
148.04985	0.7
149.05991	36.0
150.06424	1.0
153.05479	42.4
163.07538	3.1
163.11201	6.0
163.14853	1.0
164.07010	1.1
165.06952	1.8
166.06215	2.0
166.07774	3.2
181.05037	1.9
181.08635	21.8
181.10159	3.4
181.12210	2.8
182.08963	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.9
53.03959	4.8
55.01875	4.4
55.05506	0.9
56.96550	1.4
57.07076	0.9
58.73666	0.6
59.04994	2.5
61.94401	0.6
65.03942	2.8
65.63155	0.6
67.05495	2.9
69.03432	4.7
70.85908	1.1
77.03937	1.8
79.05501	27.9
81.03408	2.2
81.07059	2.0
83.04985	3.8
83.08609	1.0
85.02897	0.9
89.98970	0.6
91.05489	35.7
92.06288	1.4
93.07050	31.6
93.07644	1.5
93.98612	0.8
95.04978	8.8
95.08630	0.8
97.02900	0.7
97.06531	2.3
98.97594	15.2
103.05479	15.7
104.82430	0.6
105.04527	3.2
105.07041	24.6
107.04961	6.3
107.08597	11.5
109.06521	6.0
115.05460	4.5
116.98634	7.5
117.07035	4.2
119.04899	1.4
119.06062	2.1
119.08588	0.8
120.02080	1.2
120.05716	2.2
121.06519	24.9
121.10141	3.4
122.07269	1.1
123.08075	1.0
125.06043	4.3
131.04951	2.2
134.99698	2.8
135.04485	5.3
135.08064	100.0
135.11656	1.9
136.08411	1.9
137.09592	0.9
140.04749	1.2
141.07040	5.7
148.05180	1.5
149.06007	13.4
149.41582	0.6
152.06215	8.1
153.05525	2.6
153.07001	22.2
153.08945	0.9
154.07724	1.3
155.12549	0.7
163.03947	1.1
163.07564	8.6
163.11176	8.8
165.07014	42.8
166.07799	50.5
179.08585	2.4
181.05011	3.5
181.06522	46.1
181.08597	11.2
181.10149	62.3
181.12193	3.3
182.07275	19.5
182.10471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0861
Annotation	Pestalopyrone
Peak:m/z	Relative Intensity
53.03940	6.6
55.01873	13.4
55.05495	4.2
57.03445	26.2
57.07078	15.7
59.04992	2.0
62.07827	1.6
63.28767	1.4
65.03941	3.9
66.79060	1.3
67.05499	5.0
69.03423	1.8
69.07068	3.3
70.38885	6.2
77.03931	3.6
79.05502	18.0
80.06998	1.4
81.03413	2.5
81.07053	7.3
83.04993	29.0
85.06576	1.6
91.05492	32.5
92.02599	2.7
93.03425	2.7
93.07051	26.3
94.62177	1.6
95.04980	18.1
95.08624	2.3
97.02900	5.3
97.06546	15.8
98.97585	11.5
101.06810	1.3
103.05473	35.3
104.30183	1.6
105.07046	9.2
106.04129	2.1
107.04965	16.6
107.08604	17.8
109.06551	1.6
109.10143	5.3
110.03646	5.9
116.98644	3.7
117.07068	2.0
119.08578	7.7
120.02092	4.3
121.06521	69.5
121.10149	17.4
122.07328	11.1
125.02375	23.1
125.05072	1.9
125.06004	38.9
131.04918	3.6
134.03627	1.6
135.08058	13.5
135.11700	4.8
136.07559	2.0
137.06021	2.2
137.09637	19.1
138.03120	4.3
139.07501	1.7
140.04697	100.0
145.10143	6.1
149.05997	45.8
153.05493	34.4
153.06726	1.8
153.09090	3.1
163.07549	7.7
163.11195	64.4
163.12556	3.5
166.02614	4.1
166.06245	2.3
181.04936	11.7
181.08629	21.7
181.12222	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	181.086
Annotation	2,7-Dihydroxy-3-isopropyl-2,4,6-cycloheptatrienone
Peak:m/z	Relative Intensity
51.02383	1.0
53.03952	4.8
55.01877	10.2
55.05523	4.7
56.96576	1.2
57.03430	1.3
57.07051	1.1
57.81054	0.8
59.04978	0.9
64.38218	0.7
65.03934	2.8
67.05505	5.7
69.03428	6.4
69.07064	2.7
71.04988	3.3
77.03912	1.7
79.05493	33.7
81.03417	1.3
81.07053	9.5
83.04970	4.0
83.08618	5.0
91.05484	28.8
93.03419	1.0
93.07046	45.5
95.04964	7.2
95.08617	4.8
97.02894	6.2
97.06517	3.7
98.97594	9.2
99.04464	2.5
103.05472	32.6
103.06157	1.7
105.04518	2.2
105.07043	13.2
106.04185	0.7
107.04967	12.1
107.08595	95.3
108.08907	1.1
109.06530	3.6
109.10198	1.8
110.03670	3.3
111.04433	1.6
111.08106	1.8
112.34568	0.7
116.98637	5.4
117.07012	2.1
119.04938	1.8
119.06078	1.6
119.08574	2.6
121.06512	58.5
121.10148	27.1
121.11024	1.0
123.08059	2.1
125.02357	28.0
125.03278	1.5
125.05994	4.3
125.09618	1.1
131.04947	4.9
133.06660	0.8
134.20302	0.7
134.21407	0.8
135.04395	0.9
135.08066	10.8
135.11690	18.5
137.05991	1.1
138.03122	3.4
139.03940	1.3
139.07568	1.0
139.11197	1.1
140.04689	100.0
141.04843	0.8
145.10143	3.7
148.05136	1.0
149.05995	33.9
153.05475	36.8
153.09071	0.9
153.12711	1.5
163.07550	2.9
163.11185	17.3
165.07063	1.5
166.06351	1.6
166.07794	2.3
181.04948	2.3
181.08620	19.2
181.10155	2.2
181.12105	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	181.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01861	2.5
55.05510	9.1
56.96564	11.3
57.03428	1.2
57.07081	7.8
59.04995	1.5
61.40988	0.9
63.88141	0.8
65.03928	3.9
67.05505	5.7
67.68983	0.7
69.03423	2.6
69.07060	4.0
71.04997	1.8
71.50848	1.2
71.51202	0.9
71.95264	3.8
75.68365	0.8
79.05497	20.8
81.03416	3.6
81.07050	7.7
83.04989	13.4
83.08629	5.1
85.06531	1.5
91.04913	1.1
91.05488	21.5
92.02638	5.3
93.03410	36.7
93.07043	15.9
94.57784	0.9
95.04980	7.9
95.08605	9.3
97.06545	10.9
98.97592	100.0
99.04470	4.1
103.05492	1.1
105.07039	12.4
107.04948	3.6
107.08598	29.8
109.06538	9.1
109.10143	2.0
109.49110	0.9
111.04463	7.9
111.08058	1.6
115.05453	3.6
116.97252	2.6
116.98627	64.6
117.07024	11.2
119.06054	1.3
119.08580	4.8
120.02077	8.8
121.02898	8.9
121.06521	11.4
121.10159	10.8
123.08061	2.9
125.02341	1.3
125.05997	21.5
130.07753	1.1
133.10138	1.0
134.99664	27.3
135.04428	1.9
135.08061	42.7
135.11707	13.2
137.02322	1.3
137.06017	1.2
138.03134	2.4
139.03912	14.0
139.07524	2.1
140.00189	6.3
140.04736	1.9
141.06995	1.8
145.06479	1.4
145.10114	7.2
148.01566	2.7
149.05986	2.4
153.00716	2.5
153.01813	1.1
153.05484	2.5
153.07001	4.3
153.12753	0.9
158.01237	6.3
163.03917	3.2
163.07556	3.8
163.11198	33.9
163.12552	2.1
163.45029	0.9
165.05614	1.3
165.07010	20.4
166.02637	7.3
166.07800	24.3
177.41223	1.0
179.08562	1.1
181.05006	18.9
181.06551	2.5
181.08583	10.2
181.10146	23.8
181.12233	29.0
182.08267	1.2
184.03656	3.0
203.33597	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0861
Annotation	2,7-Dihydroxy-3-isopropyl-2,4,6-cycloheptatrienone
Peak:m/z	Relative Intensity
50.43529	1.2
50.90487	1.0
52.99751	1.1
53.03947	2.4
53.44712	1.1
55.01870	2.6
55.05509	3.5
56.96567	2.6
57.03442	100.0
57.07063	1.6
65.03934	3.7
65.37904	1.1
67.05493	4.0
69.03432	3.8
69.07063	2.8
71.51228	1.7
71.95253	1.4
79.05507	11.3
81.03399	1.2
81.07068	3.1
82.04167	1.5
82.52419	1.7
83.04999	6.6
83.08610	2.6
91.05482	11.0
93.07048	21.9
95.04958	6.6
95.08611	5.0
97.02879	1.5
97.06524	6.2
98.97598	29.0
99.04501	1.1
103.05460	4.6
105.07015	6.0
107.04979	3.1
107.08602	25.2
109.06518	2.0
109.34545	1.2
110.03664	1.8
110.70643	1.4
111.04356	1.5
111.08080	2.4
116.98648	15.4
117.07058	1.4
119.05050	1.4
119.06049	1.5
119.08556	2.7
121.06519	12.4
121.10155	19.1
123.08088	2.2
125.06021	6.9
130.07869	1.3
134.99680	5.3
135.04463	2.0
135.08064	5.8
135.11717	11.2
136.07593	11.9
137.05998	3.5
139.03839	1.2
139.07515	2.6
140.04684	4.9
145.10106	5.1
149.05988	6.0
153.05511	4.4
153.09085	1.7
163.03951	3.8
163.07576	2.0
163.11182	13.9
164.07104	6.8
165.07040	2.2
166.07800	4.2
181.04979	8.1
181.06439	2.1
181.08614	23.0
181.10164	6.4
181.12213	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	181.0494
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
51.36190	0.3
53.00310	0.7
53.81244	0.3
55.01874	1.7
55.05514	0.9
56.96568	4.2
57.03446	0.6
57.07080	0.9
63.02388	1.3
64.03159	2.1
65.03943	3.6
67.01867	0.8
67.05511	2.8
68.02652	0.3
68.99773	1.0
69.03429	0.5
69.07064	0.8
69.58163	2.1
71.04977	0.4
71.95271	1.4
79.05508	1.8
81.03427	1.4
81.07053	0.6
82.04202	1.4
83.04980	2.9
83.08607	0.6
91.05476	1.7
92.02629	36.8
93.02921	0.4
93.03435	0.6
93.07052	2.4
95.01337	1.5
95.04957	1.5
95.08620	0.7
97.06525	2.9
98.97591	38.0
99.04533	0.4
103.05481	1.2
105.07054	0.8
107.01333	1.3
107.04948	0.8
107.08598	2.6
108.02107	1.2
109.02918	0.6
109.06548	0.3
110.03677	1.2
111.04443	1.0
116.97254	0.9
116.98628	20.6
119.08598	0.7
120.02089	54.8
121.02829	1.3
121.06506	4.3
121.10157	2.1
123.00816	1.3
123.08080	0.3
125.02350	0.7
125.06007	4.0
132.43985	0.3
133.36732	0.4
134.99666	9.4
135.04472	0.8
135.08075	0.9
135.11725	2.5
135.16656	0.3
136.01572	0.4
137.02347	10.0
138.03130	20.3
139.03772	0.3
139.07544	0.3
140.00183	2.1
140.04671	0.7
141.07027	0.5
145.10133	0.8
148.01563	12.9
149.05965	3.9
151.00320	0.6
152.06210	0.8
153.00714	0.8
153.01825	4.2
153.05479	2.2
153.06990	1.4
158.01288	1.8
163.03932	0.6
163.11188	6.2
165.01801	0.4
165.07010	8.2
165.08328	0.6
166.02629	51.1
166.07785	9.4
167.03008	1.1
179.08591	0.3
181.04964	100.0
181.10138	7.6
181.12230	3.5
182.05353	1.8
182.08078	0.5
184.03683	21.0
185.04091	0.6
185.70967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.7
53.03955	0.7
55.01868	1.9
55.05509	1.3
56.96571	6.6
57.03437	0.7
57.07081	3.1
59.04994	0.6
63.02378	1.3
64.03153	1.4
65.03947	2.7
67.05507	3.5
68.99780	1.3
69.03439	1.0
69.07068	1.1
69.31049	4.2
71.04983	0.6
71.95264	2.4
79.05494	4.1
81.03418	1.5
81.07062	1.9
82.04196	1.6
82.06586	1.3
83.04987	6.4
83.06904	0.6
83.08646	1.1
91.05489	2.3
92.02628	31.5
93.02924	0.8
93.07066	3.8
95.01325	1.2
95.04988	3.0
95.08615	1.2
97.06544	5.0
98.97588	75.2
103.05489	0.7
105.07019	1.0
107.04981	1.4
107.08608	4.3
108.02124	0.8
109.02858	0.9
110.03665	1.4
111.04445	1.0
113.06146	0.6
116.97253	1.5
116.98625	49.6
117.07000	0.9
119.08573	1.2
120.02090	47.2
121.02882	1.4
121.06517	2.3
121.10150	4.3
123.00797	1.6
123.06808	0.8
124.07162	1.3
124.12856	0.6
125.02357	0.8
125.06001	9.2
130.07800	0.6
134.99669	21.7
135.04433	1.2
135.08090	1.9
135.11685	2.4
137.02335	8.1
138.03127	18.3
139.01799	0.6
140.00175	5.1
140.04726	0.7
141.06987	2.4
145.10153	2.5
148.01553	10.7
149.06044	0.7
152.06264	2.1
153.00708	2.0
153.01869	3.8
153.05647	0.8
153.07001	6.3
153.09036	0.8
158.01248	3.5
163.03928	1.0
163.07471	0.8
163.11192	14.9
165.07014	48.9
166.02632	45.6
166.07791	60.1
167.02989	0.9
167.08154	0.8
179.08554	1.5
180.09193	0.8
181.04967	100.0
181.08519	2.1
181.10133	36.0
181.12224	6.8
181.14185	10.6
181.15752	0.9
182.05254	1.6
182.10471	0.7
184.02028	1.0
184.03676	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	180.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01871	0.5
56.02214	0.2
60.04532	0.9
65.03918	0.2
69.03417	0.3
69.43033	0.7
69.43463	0.7
72.15229	0.2
77.03922	0.6
77.85749	0.2
79.05515	0.4
80.04997	0.2
84.08150	0.4
86.06055	0.2
91.05486	4.7
92.05801	0.7
93.07047	10.1
95.04992	1.2
98.20733	0.2
98.97591	0.8
103.05476	7.4
105.04537	0.5
106.03761	0.2
106.06585	0.4
106.07323	0.3
107.04951	0.4
107.08562	0.3
108.04496	0.5
112.07622	0.2
116.98677	0.2
119.04961	0.3
119.08598	0.3
120.05280	0.4
120.08100	0.8
121.06511	100.0
122.06775	1.6
124.04729	0.3
133.02846	0.2
134.03183	0.8
134.05956	0.4
134.06871	0.3
135.08044	0.4
137.05931	0.2
137.09654	0.9
138.09149	11.7
147.04239	0.3
148.04762	0.8
152.07077	0.4
162.06470	0.3
162.09166	0.7
163.03871	0.2
163.07570	0.5
167.15639	0.2
180.03760	2.5
180.06451	0.4
180.10172	2.9
181.08549	0.2
185.30719	0.2
188.76353	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	180.1021
Annotation	N-Acetyltyramine
Peak:m/z	Relative Intensity
51.98462	0.2
53.03941	0.9
54.18078	0.2
55.01881	0.3
60.04522	1.4
67.15639	0.2
70.77927	0.2
70.78260	0.5
71.92976	0.2
77.03936	0.7
86.06076	0.3
91.05478	4.1
91.70612	0.2
93.07054	8.4
93.07648	0.5
94.07401	0.2
95.04969	0.9
98.97587	0.2
103.05479	6.5
104.05787	0.2
105.04534	0.5
106.07372	0.2
107.04987	0.3
107.08575	0.3
116.98634	0.3
119.08572	0.2
120.08137	0.4
121.06516	100.0
121.42345	0.2
122.06762	1.6
134.03191	0.3
135.08067	0.3
137.09633	0.9
138.09155	12.0
148.04778	0.3
152.39136	0.2
167.53027	0.2
180.03757	0.5
180.10196	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	180.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03646	1.1
53.03946	1.2
55.01865	1.1
55.05502	5.4
56.96568	100.0
67.05499	8.3
69.03438	1.7
69.07076	3.1
70.64608	0.9
71.50726	1.7
71.51122	1.6
71.95274	2.3
74.97626	1.3
79.05495	12.5
81.07062	17.0
83.04985	2.4
91.05483	13.9
92.02603	1.1
92.05820	1.5
93.07043	15.9
94.07381	1.3
95.04969	3.2
95.08622	10.1
97.06551	2.1
98.97587	23.9
103.05506	1.2
105.07040	12.5
106.06585	2.5
106.07359	3.5
107.08595	10.5
107.70230	1.1
108.04462	1.4
109.10179	2.9
112.07597	2.3
115.04073	1.2
116.98622	12.9
117.06968	2.0
119.08610	6.9
120.04478	4.5
120.05247	1.4
120.08109	2.1
120.08931	1.1
121.06521	3.4
121.10165	7.0
124.03974	1.6
125.05980	2.1
128.06232	1.2
129.07018	2.5
131.08565	3.1
133.10155	6.5
134.05954	1.6
134.06853	2.5
134.09598	1.4
134.10500	1.9
134.98755	0.9
134.99632	5.7
135.08075	2.0
135.11700	4.7
137.04712	10.8
137.05664	1.4
138.05528	1.1
138.09146	2.4
139.07730	1.1
141.02226	1.6
141.06435	1.4
143.08640	1.2
145.10136	4.4
146.06732	1.5
146.40501	0.9
147.08339	1.4
147.11696	1.9
148.04770	2.0
152.07068	15.6
153.07042	2.4
156.05429	1.1
156.08788	10.2
158.01224	1.1
162.06465	1.2
162.09006	6.4
162.13611	1.5
163.11147	6.2
165.06918	10.9
165.09190	8.5
165.59494	1.6
166.07796	13.4
167.59633	1.2
171.09300	2.8
173.13228	1.0
174.09840	1.8
180.03799	1.2
180.06601	4.3
180.10204	14.6
180.14777	1.2
180.39571	1.1
181.04984	2.3
181.06511	1.7
181.10094	10.8
181.12236	10.5
182.60071	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03940	3.4
55.01854	2.8
55.05515	7.2
57.03444	8.0
57.07060	2.3
65.03941	1.3
67.05508	36.4
67.63266	1.0
69.03409	3.1
69.03761	1.0
69.07069	7.8
70.42440	1.9
71.04984	3.7
79.05495	30.9
81.07059	100.0
82.07412	1.2
83.04988	6.3
83.08614	4.7
85.06550	9.3
91.05484	30.3
93.07048	38.3
95.04961	4.2
95.08611	71.1
97.06535	16.8
99.08115	8.2
100.93657	1.2
105.07037	38.7
107.08588	16.8
109.06540	7.5
109.10162	7.0
111.08078	6.6
112.06274	1.0
117.06999	4.3
119.04951	2.7
119.08586	55.2
121.10148	15.9
123.04543	1.1
123.08068	9.0
123.11765	1.0
131.08530	1.5
133.06496	3.1
133.10143	32.4
135.10704	2.2
135.11699	32.6
137.09602	4.5
137.13240	1.7
140.26225	0.9
147.04440	2.4
151.11188	1.6
151.39969	1.0
161.06059	1.8
161.13263	89.3
162.13576	1.7
178.07759	3.0
179.03423	2.7
179.07147	1.8
179.08600	6.2
179.14316	86.9
180.14740	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.39734	0.7
51.02386	0.8
53.03941	1.2
55.01875	10.1
55.05508	4.7
57.03440	2.0
57.07068	0.9
58.99580	4.6
65.03954	2.3
67.05508	7.7
69.03428	1.3
69.07075	6.4
69.56606	4.5
71.04991	3.0
73.71033	0.7
74.77172	0.7
76.02227	13.2
77.03936	0.8
77.16377	0.6
79.05495	11.9
79.27718	0.7
81.07056	25.9
83.04980	1.4
84.08165	0.9
85.06545	47.2
88.38584	0.7
91.05485	34.9
93.06483	1.4
93.07049	22.9
93.07643	1.2
95.04965	3.1
95.08611	14.4
97.06538	2.2
103.05463	3.6
105.03418	1.7
105.07033	100.0
106.07350	1.6
107.04932	1.3
107.08591	16.8
108.08881	1.1
109.06508	4.1
109.10176	5.1
111.08089	1.9
115.05485	2.4
116.01657	3.6
117.07024	2.7
118.04175	1.8
119.04949	35.7
119.08585	42.4
121.06474	2.2
121.10152	10.0
123.04427	3.2
123.08076	7.6
131.08577	2.0
133.02827	1.4
133.06502	11.1
133.10136	28.5
135.11699	17.1
136.05203	2.6
137.05983	6.7
137.09625	2.9
144.01125	1.9
146.03618	3.2
147.04417	50.7
148.04715	1.7
151.03889	1.2
151.07564	3.8
151.11165	1.6
161.05994	17.2
161.09598	2.2
161.13260	40.0
162.02237	1.6
162.13631	1.4
164.04713	1.5
179.03413	5.6
179.07079	15.9
179.10696	2.6
179.14310	30.0
180.10213	0.8
180.14644	0.9
181.28772	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02374	1.8
53.03947	5.5
55.01873	9.4
55.05513	29.6
57.03425	4.0
57.07071	2.3
58.80565	1.0
59.63882	1.0
62.83319	0.9
63.44695	1.0
65.03922	4.3
65.14165	1.0
67.05508	100.0
69.03432	3.3
69.06727	1.5
69.07067	16.8
69.77596	1.0
71.04974	2.3
71.12743	2.0
77.03907	1.4
79.05021	1.5
79.05494	60.8
81.03419	21.9
81.07057	93.8
83.04986	29.2
83.08615	13.3
85.06546	2.9
91.05485	55.5
92.05806	1.1
93.07044	42.8
95.04976	12.0
95.08609	67.1
97.06532	31.9
97.10171	3.1
98.98432	1.1
99.08112	2.2
103.05464	1.7
103.57172	1.2
105.04512	1.8
105.07032	37.6
107.04954	1.2
107.08600	11.9
109.02948	1.2
109.06544	7.6
109.10152	12.2
111.08081	8.3
113.09648	7.2
117.06976	1.8
119.04941	5.8
119.08581	32.7
121.06534	3.1
121.10133	6.4
123.04444	4.3
123.08090	6.3
123.11750	1.6
131.08582	1.7
133.02850	3.8
133.06506	6.4
133.07333	1.0
133.10132	26.4
135.11702	8.3
136.02173	1.9
137.06059	2.5
137.09621	2.4
147.04370	9.0
151.03899	2.1
151.07556	3.3
161.05991	7.2
161.09599	2.4
161.13260	14.6
162.09131	1.9
164.03983	2.0
178.07846	1.5
179.03384	16.8
179.06532	9.2
179.08588	4.0
179.10655	5.4
179.14316	46.0
180.06674	1.7
180.10281	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.97847	1.2
52.46863	1.4
53.03925	3.3
55.01873	7.9
55.05508	17.5
57.03427	5.9
57.07076	9.0
59.04992	3.8
65.03934	2.6
65.69596	1.2
67.05183	2.0
67.05506	30.6
68.73549	1.5
69.03412	5.9
69.06726	1.9
69.07071	23.0
70.56386	4.0
71.04990	3.3
71.08616	5.7
79.05490	13.2
81.07062	30.2
83.04494	2.2
83.04983	38.4
83.08617	5.7
84.57185	1.1
85.06546	6.8
89.03908	1.5
89.40245	1.2
91.05487	45.1
93.07049	21.1
95.04981	14.2
95.08611	100.0
97.06531	2.2
97.10173	4.9
103.05447	2.5
105.03387	3.4
105.07037	42.8
107.04948	1.4
107.08602	29.1
108.05755	2.4
109.06525	25.2
109.10163	43.1
111.08088	2.5
115.05447	2.5
117.06963	1.7
119.04945	53.3
119.07809	2.7
119.08589	32.0
121.06497	5.4
121.10149	27.1
123.04430	6.0
123.08072	45.5
123.11703	8.6
124.05248	1.4
133.02885	2.3
133.06499	37.8
133.10136	17.0
135.04440	2.2
135.08038	3.8
135.11702	13.9
136.05208	1.7
137.05981	18.8
137.09608	22.1
137.13235	6.5
140.12392	1.3
146.03592	2.8
147.04417	72.6
151.03972	1.5
151.07564	6.9
151.11218	3.6
151.14828	39.0
161.05994	39.8
161.09607	6.1
161.13272	20.5
164.04671	1.5
179.03435	11.0
179.07074	32.6
179.10933	7.8
179.14314	83.7
180.14673	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03932	3.0
55.01871	7.8
55.05514	14.2
56.44397	1.5
56.96559	7.8
57.03418	4.3
57.07063	2.6
59.05005	1.7
65.03944	3.3
67.05505	44.7
68.34785	1.4
69.03413	5.1
69.07071	14.1
71.04980	5.3
71.40222	1.9
73.10148	1.2
77.03916	2.0
79.05496	41.4
81.03423	2.6
81.07057	100.0
82.07359	2.3
83.04989	11.1
83.08614	8.6
85.06533	6.8
91.05483	59.3
93.06487	2.5
93.07045	41.4
94.06557	2.5
95.04968	11.5
95.08610	66.9
97.06531	12.5
99.08118	8.0
103.05470	1.8
105.03391	2.0
105.07032	80.9
106.07374	2.1
107.08601	21.0
109.02861	1.7
109.06531	10.4
109.10139	10.5
110.93154	1.3
111.08087	4.0
113.09637	3.4
115.05446	2.5
117.07016	4.4
119.04951	13.8
119.08586	68.9
120.08858	1.8
121.06505	5.2
121.10133	13.5
123.04441	7.7
123.08036	9.5
123.11701	3.0
131.08580	2.6
133.02844	4.6
133.06516	15.3
133.09128	2.9
133.10133	58.3
134.05983	2.2
134.10463	1.9
135.04385	1.6
135.11682	20.0
136.05186	2.4
137.05997	7.3
137.09602	5.0
137.13304	2.3
147.04410	17.4
151.03889	3.2
151.07524	6.1
151.11221	3.6
159.11729	1.8
161.02310	2.1
161.05992	19.7
161.09622	5.4
161.13261	77.5
162.09181	2.0
162.13623	1.7
163.03893	1.4
164.03955	2.4
174.72203	1.4
178.07776	8.7
179.03386	24.0
179.06859	15.0
179.08562	15.3
179.10730	13.9
179.14310	64.3
180.06577	2.6
180.10196	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	179.0703
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
51.02403	0.7
53.03953	1.9
55.01875	15.6
55.05513	2.5
57.03430	0.7
57.07077	1.1
60.09284	0.5
65.03932	3.7
66.11863	0.7
67.05507	4.9
69.03429	3.3
69.07069	1.4
70.06588	2.1
71.05006	1.0
71.50002	0.7
71.68575	0.6
76.02229	0.8
77.03926	1.4
79.05499	7.4
81.03436	0.9
81.07060	8.2
83.04984	0.8
84.08146	2.3
85.06553	0.9
89.03928	1.5
90.04731	0.7
91.05486	46.6
92.05827	1.1
93.07046	6.5
95.04975	6.2
95.08594	4.4
103.05482	2.9
104.41276	0.7
105.03401	3.1
105.07042	21.8
106.06582	0.9
107.04955	2.6
107.08608	3.1
108.05756	1.0
109.02838	1.0
109.06525	4.8
109.10159	2.3
111.04482	0.7
112.07652	0.8
115.05463	3.5
117.03388	0.9
117.07035	1.4
118.04166	3.3
119.04950	66.8
119.08591	6.8
120.05276	0.7
121.06507	2.6
121.10134	4.6
122.06890	0.8
123.04443	8.2
123.07225	1.4
123.08099	3.8
124.05267	1.5
131.04951	1.0
131.08582	0.7
133.02858	10.2
133.06503	17.8
133.10135	9.4
134.06903	0.8
135.04399	3.6
135.08090	1.5
135.11707	0.8
136.05243	4.9
137.05989	27.1
137.09596	3.4
143.08643	1.4
146.03648	6.6
147.04422	100.0
148.04770	1.7
149.06041	0.9
151.03935	2.1
151.07550	7.0
151.11230	0.8
152.07063	1.4
161.02371	1.2
161.05992	26.7
161.09633	5.2
161.13300	4.2
162.09117	0.8
164.04738	1.3
179.03413	32.0
179.07074	26.8
179.09401	0.6
179.10756	7.1
179.14249	3.7
180.06422	0.7
180.10217	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
53.03967	1.3
55.01632	1.8
55.01876	29.4
57.03434	1.7
65.03939	5.6
67.05509	3.6
70.29026	4.5
72.95522	1.2
76.02289	1.3
79.05505	6.4
80.06261	2.3
81.07047	3.8
90.86072	1.2
91.05489	71.2
93.07038	2.5
94.04146	1.4
94.06507	1.4
95.04969	5.5
95.08590	2.9
103.05467	4.3
105.07042	26.9
107.04939	3.7
107.08578	1.9
108.05756	3.4
109.06539	2.7
115.05442	5.0
115.69682	1.1
118.04164	7.5
119.04948	75.8
119.08588	2.9
121.06553	1.8
121.10167	1.6
123.04420	4.5
123.08076	4.0
131.08582	1.4
133.06500	25.1
133.10152	6.6
135.04449	2.4
136.05222	12.3
137.05952	6.5
137.09555	1.4
146.03615	12.7
147.04419	100.0
148.04794	2.0
150.06636	1.5
151.03925	2.3
151.07533	5.7
159.21715	1.4
161.05995	43.2
161.09660	1.8
161.13248	1.8
164.04706	2.2
179.03445	3.9
179.07071	35.1
179.08559	2.8
179.10680	5.3
179.14311	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0705
Annotation	(3S)-2-Oxo-3-phenylbutanoate
Peak:m/z	Relative Intensity
53.03926	1.8
55.01871	9.1
55.05473	2.3
57.03423	1.4
58.99592	5.7
59.52576	0.6
65.03918	1.6
67.05507	4.3
69.03414	1.0
69.07034	1.9
70.28730	1.9
70.29137	1.2
71.04993	7.2
76.02229	15.1
77.03885	1.3
79.05078	0.6
79.05495	9.7
81.07057	5.5
83.04944	0.7
84.08144	0.8
85.06519	2.1
91.05485	28.8
93.07050	5.8
95.04992	4.5
95.08617	5.4
97.06517	0.8
103.05483	4.0
105.03385	3.1
105.07037	58.2
106.07340	1.0
107.04948	1.0
107.08607	7.0
108.05714	0.6
109.06520	6.6
109.10139	2.9
110.15037	0.7
115.05463	6.8
116.01672	4.4
117.06976	0.9
118.04202	1.6
119.04951	37.7
119.08584	8.6
121.06527	3.3
121.10144	3.3
123.04451	6.6
123.08078	4.2
123.11669	1.1
131.04929	0.9
131.08528	0.8
133.06497	80.6
133.10136	10.6
134.06833	1.6
135.04410	1.5
135.11696	4.2
136.05168	2.1
137.05965	4.7
137.09596	4.0
137.13200	1.0
143.04906	0.9
143.06023	1.9
144.01137	1.1
146.03618	3.4
147.04420	47.7
148.04839	0.8
151.03868	1.2
151.07564	9.2
151.11185	1.1
161.05989	100.0
161.09645	2.4
161.13257	4.0
162.02142	1.3
162.06334	2.7
171.05519	0.8
179.03535	5.0
179.07045	39.1
179.10661	3.6
179.14322	12.2
180.07382	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
53.03934	3.7
55.01670	1.0
55.01879	11.5
55.05505	2.3
57.79374	0.9
58.40733	0.9
60.12336	0.9
61.39041	1.0
65.03936	6.5
67.05511	11.2
67.65631	1.2
68.99783	2.3
69.03426	2.1
69.07059	2.2
71.04993	1.4
71.23207	1.9
76.02219	3.2
77.03925	1.8
79.05498	13.5
80.06226	1.4
81.03413	2.0
81.07061	10.7
81.76645	0.9
83.04956	1.8
85.06550	1.4
91.05487	53.8
93.03371	1.1
93.07053	9.7
95.04982	20.6
95.08627	8.6
95.45610	0.9
103.05491	6.6
105.03374	2.2
105.04573	1.3
105.07045	34.2
107.04939	3.0
107.08591	7.4
108.05740	3.5
109.02895	3.1
109.06554	5.7
109.10164	2.8
110.03687	4.1
111.04470	1.8
115.05450	2.9
117.06995	1.2
118.04184	2.5
119.04958	52.6
119.08595	10.9
120.05273	1.3
121.02879	2.3
121.06510	3.4
121.10127	2.7
123.04440	100.0
123.08070	14.3
123.11720	1.1
131.08589	1.7
133.02846	1.3
133.06505	22.1
133.10139	20.1
135.04462	1.0
135.08119	1.9
135.11711	2.8
136.05234	6.2
137.05995	9.2
137.09627	4.8
146.03632	2.8
147.04425	76.6
148.04791	2.5
149.05986	2.0
150.06778	1.2
151.03970	6.2
151.07552	45.1
151.11232	2.8
152.07938	1.3
161.05997	23.9
161.07155	2.7
161.09615	6.3
161.13214	2.0
162.06395	1.3
164.04741	1.8
179.03540	8.2
179.07057	72.1
179.10634	18.0
179.14302	6.9
180.07408	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
55.01874	1.7
56.01403	4.6
56.28097	0.5
61.31992	0.6
61.73582	0.6
65.03939	1.9
65.48162	0.8
67.05502	2.1
68.05028	4.8
69.04539	1.6
70.31003	0.7
71.51030	0.9
71.51435	0.7
79.05490	2.3
81.07050	2.8
83.06114	0.7
91.05489	38.3
93.07040	1.5
95.05002	0.9
95.06090	10.3
95.08597	2.2
96.05622	1.0
97.04016	3.9
97.06499	0.8
103.05465	2.8
105.07043	7.6
107.08560	0.8
109.10156	0.9
110.07175	1.4
115.05478	1.0
118.04163	1.1
119.04951	38.7
119.08605	2.1
120.05613	1.6
121.10161	0.9
123.04424	1.7
123.08044	1.2
127.46584	0.7
133.02884	1.4
133.06505	14.4
133.10167	3.9
136.02133	1.1
136.08798	0.9
137.06030	0.9
137.08238	20.5
138.10399	0.7
144.64203	0.6
147.04422	100.0
148.04773	1.6
151.07561	1.1
155.95656	0.6
161.05991	7.2
161.08240	1.1
161.09706	0.9
161.13324	1.1
163.88188	0.7
164.04022	1.4
179.03464	4.0
179.06749	8.8
179.09262	1.9
179.10684	1.2
179.14346	1.7
180.06500	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.02349	1.2
53.03891	2.1
55.01822	16.5
55.02117	1.3
55.05464	2.6
57.03395	1.1
57.07021	0.8
58.99533	8.7
65.03948	3.4
67.05508	6.5
67.30914	0.6
69.03396	1.6
69.03722	0.6
69.07082	4.1
69.07394	1.2
70.00785	0.6
70.06557	0.8
71.04944	0.9
71.50658	1.0
71.51069	1.0
73.02842	0.7
76.02231	30.0
76.03970	1.3
77.03893	1.3
79.05499	10.7
80.06229	1.0
81.03396	1.1
81.07054	14.6
83.04941	1.5
84.08111	1.7
85.06548	16.1
86.99020	1.2
91.05486	55.8
92.07841	0.8
93.07047	12.2
95.04979	4.8
95.08613	9.2
97.06508	0.9
103.05439	3.1
105.03371	2.2
105.07037	52.4
107.04925	2.7
107.08592	8.2
108.05692	1.7
109.02814	1.0
109.06544	5.0
109.10159	3.3
111.08064	1.0
115.05428	3.2
116.01687	7.3
117.06991	1.8
118.04164	3.4
119.04948	76.5
119.08583	21.1
121.06527	4.2
121.10146	6.5
122.03688	1.4
123.04433	6.1
123.08072	8.8
131.04933	1.2
131.08551	1.1
133.02820	2.0
133.06497	20.1
133.10139	19.7
134.06041	0.9
135.04427	2.0
135.08138	0.9
135.11685	7.3
136.05237	6.1
137.05992	12.0
137.09599	3.0
144.01143	2.1
146.03639	7.1
147.04416	100.0
148.04768	2.1
151.03914	2.0
151.07549	6.7
151.11212	1.6
161.05992	31.3
161.09650	2.9
161.13281	15.1
162.02208	2.0
162.09163	1.0
164.04701	2.3
179.03409	10.5
179.07072	31.4
179.10750	5.9
179.14326	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	179.034
Annotation	6,7-Dihydroxycoumarin 
Peak:m/z	Relative Intensity
51.02383	0.5
55.01875	1.1
55.05530	0.6
56.80553	0.3
56.96571	0.7
67.05511	1.9
68.99794	0.5
69.03427	0.7
69.62071	1.1
69.62471	0.8
71.04990	0.4
77.03940	1.8
79.05475	1.2
81.03411	0.9
81.07056	1.1
84.08141	1.0
89.03926	2.0
91.05499	3.1
92.07902	0.4
92.89236	0.3
93.07028	0.6
95.05002	1.6
95.08606	0.6
98.97598	0.5
105.03408	3.4
105.04628	0.3
105.07045	2.8
107.04957	0.9
107.08614	0.6
108.05754	0.6
109.02908	0.8
116.08088	0.3
116.94801	0.3
117.03369	1.2
119.04961	3.6
119.08584	0.7
121.02898	0.4
121.06504	0.7
123.04442	43.2
133.02864	29.5
133.06490	2.4
133.08464	0.4
133.10143	1.6
134.09641	0.4
135.04417	5.0
135.08043	0.4
135.09998	1.3
137.05991	1.7
147.04428	4.6
147.61198	0.4
151.03925	9.3
151.07487	0.7
152.07120	0.8
161.06029	2.6
162.24040	0.3
179.03412	100.0
179.10675	1.2
179.12585	2.1
179.14148	0.6
180.03728	1.5
184.28053	0.4
188.54898	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
53.03946	0.7
54.23067	0.4
55.01876	2.1
55.05503	0.5
56.96559	0.8
57.03430	1.3
58.80142	0.4
65.03944	2.3
66.26428	0.4
67.05498	2.3
69.03437	0.6
71.51134	0.6
79.05502	3.4
80.06271	0.8
81.03433	0.5
81.07054	2.0
83.05006	0.6
91.05486	51.6
91.69580	0.4
92.05823	1.0
93.07048	2.3
93.47877	0.4
95.04963	1.5
95.08616	2.0
103.05480	3.2
105.07036	10.5
107.04939	0.8
107.08593	1.3
108.05743	1.2
109.06519	1.7
109.10131	0.7
115.05442	1.4
118.04171	2.6
119.04951	48.4
119.08575	1.9
120.05276	0.7
121.06533	0.9
121.10177	0.5
123.04447	1.9
123.08076	2.5
133.02838	0.9
133.06503	14.7
133.10081	3.1
136.05229	1.8
137.05969	1.3
137.09625	0.7
143.08577	0.5
146.03654	0.5
147.04420	100.0
148.04758	2.0
148.08890	1.1
149.09717	0.4
151.03941	0.6
151.07585	5.0
151.11250	0.8
161.05977	6.8
161.09622	1.7
161.13257	1.7
162.09129	0.7
178.07837	0.5
179.03424	5.6
179.04854	0.6
179.07104	12.7
179.08565	1.4
179.10608	3.2
179.14334	2.0
180.10158	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1228
Annotation	Valerianine
Peak:m/z	Relative Intensity
59.98932	0.3
70.58297	0.8
79.05497	0.4
91.05499	0.5
92.05013	0.4
93.66333	0.3
95.91680	0.3
105.07038	0.7
107.08588	0.5
115.05450	0.4
117.07047	1.6
118.06535	8.0
118.96756	0.5
119.07337	8.8
132.08116	0.7
133.06540	0.5
134.09662	54.0
135.09999	1.1
137.02365	0.4
160.11206	0.9
161.05995	0.7
162.09154	2.2
163.09898	0.9
178.12282	100.0
179.12621	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	178.9509
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08176	21.7
67.05487	20.6
68.05019	20.3
69.73713	100.0
70.06590	40.6
73.41351	17.5
84.08138	61.5
89.50670	19.2
94.93023	42.4
98.06042	21.1
133.03477	25.1
133.06520	27.4
147.04395	38.4
152.06976	20.3
161.05989	62.3
178.87401	27.6
179.03416	32.4
179.06879	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	178.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.4
53.03947	1.9
55.01884	0.7
63.26620	0.3
65.03947	1.0
68.78279	0.3
68.99813	0.3
69.47780	0.3
70.60768	0.4
70.61089	0.6
75.46734	0.3
77.03938	1.0
79.05499	6.6
81.03412	0.4
81.06994	0.3
89.03918	3.4
90.04212	0.3
91.05479	1.2
92.05836	0.4
94.97713	0.3
95.04971	1.9
105.04499	1.0
105.07019	0.5
107.04964	96.7
108.05284	1.5
117.03374	1.6
119.04971	1.3
120.02097	0.4
122.06866	0.4
122.10477	0.3
133.02835	0.5
133.06505	0.7
133.10136	0.4
135.04439	6.3
140.06757	0.3
140.28922	0.3
145.02911	0.5
145.03987	5.8
146.03638	0.9
147.04436	1.9
150.06419	0.3
160.12029	0.3
161.05977	0.5
163.03914	100.0
164.04231	2.3
178.06265	36.2
178.09639	1.6
178.13161	0.3
179.06712	1.6
190.14319	0.3
191.34496	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.8
53.38849	3.0
55.05518	16.2
66.72298	2.9
67.05506	24.1
69.07065	24.1
69.20016	33.5
74.76500	3.5
75.47642	3.0
79.05122	3.3
79.05508	33.8
81.07059	58.5
83.08621	17.9
88.02197	5.8
89.03916	7.7
91.05480	21.3
93.06485	5.0
93.07051	73.0
95.06089	6.0
95.08614	81.9
97.10172	8.8
98.98488	48.6
103.05488	4.5
105.07024	14.7
107.08605	81.4
107.75111	3.0
109.07634	3.2
109.10167	25.4
117.03386	8.7
119.08554	5.8
121.06515	12.8
121.10152	100.0
131.08582	8.8
133.10217	4.1
135.11697	29.2
136.08728	6.5
138.75308	3.2
145.02843	8.8
149.02335	6.8
149.05994	6.2
149.09647	6.2
149.13286	9.5
153.93759	3.2
159.11787	5.1
162.03107	2.9
177.05460	11.0
177.07822	4.1
177.09134	12.3
177.11403	7.7
177.12782	15.5
177.16399	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.164
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03936	3.6
54.03466	2.9
54.99262	1.5
55.05517	18.4
57.07076	3.2
67.05511	18.7
69.07075	30.5
71.51143	2.9
79.05496	28.0
81.07065	45.9
83.08630	15.8
88.02206	7.3
89.06017	1.8
91.05481	21.1
93.07053	53.9
95.05003	2.9
95.06107	9.7
95.08617	67.7
97.10168	4.4
98.98474	30.2
100.61225	1.8
103.05462	3.3
105.07050	11.9
107.06047	1.7
107.08614	64.1
109.06506	2.4
109.07655	3.0
109.10175	25.8
110.07156	4.4
110.08446	1.8
115.97085	1.9
117.03371	3.3
117.07023	3.7
119.06078	2.2
119.08572	6.4
121.06517	13.2
121.10157	100.0
122.07149	2.9
126.13362	2.0
131.08540	5.0
133.10100	2.6
134.03673	2.3
134.07170	3.6
135.04425	1.9
135.06548	2.1
135.10843	2.2
135.11722	23.5
136.08711	12.4
137.09497	4.8
144.55167	2.0
145.02925	2.2
149.02353	3.5
149.06017	8.4
149.07048	2.2
149.09636	7.6
149.13280	9.2
150.10254	4.5
159.08055	3.1
159.11702	5.9
159.56081	2.0
177.05473	5.8
177.08981	14.3
177.11351	13.6
177.12770	13.8
177.16400	51.2
177.59346	2.1
178.08643	4.5
178.10905	3.9
178.16074	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	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03937	2.7
55.05275	1.6
55.05516	21.4
57.07076	2.7
65.03947	1.3
67.05508	18.5
69.07071	23.6
70.70860	3.2
72.61607	1.0
79.05499	36.7
81.04580	1.0
81.07059	70.8
83.08618	17.1
89.03934	1.3
91.05480	14.0
93.07047	70.7
94.04126	1.0
95.05006	2.6
95.06120	1.2
95.08609	86.8
97.10185	8.8
98.98482	10.8
105.04561	1.5
105.07040	12.2
107.08599	84.8
109.09471	2.0
109.10158	25.7
117.03416	2.3
117.07014	2.0
119.06012	1.5
119.08583	3.3
121.06520	2.0
121.10146	100.0
122.10467	1.2
131.08582	2.2
133.06496	2.6
133.10153	1.4
135.08107	1.4
135.11699	31.1
136.08664	2.3
136.99200	1.0
137.09550	1.8
145.02861	2.0
149.02255	1.5
149.06041	2.2
149.09584	1.2
149.13260	5.9
174.91986	1.0
177.05428	3.3
177.09108	4.4
177.11368	2.1
177.12820	3.6
177.16396	74.5
178.08630	1.2
178.16783	1.4
189.04401	1.0
199.87503	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.49295	0.7
53.03947	4.9
55.01864	1.3
55.05261	1.5
55.05514	13.1
57.07069	1.4
61.90411	0.8
62.19385	0.8
65.03945	1.8
67.05509	42.6
69.07076	11.6
69.26225	7.4
69.26629	2.0
77.03885	1.1
79.05498	60.0
81.03409	1.4
81.07062	41.7
83.04991	0.9
83.08634	7.9
89.03928	2.2
91.05494	19.3
93.07050	84.9
94.07377	1.4
95.04966	5.4
95.08613	49.1
97.06528	2.3
97.10175	3.0
98.98474	10.8
105.04511	1.8
105.07021	6.7
107.04963	2.0
107.08601	42.2
109.06504	2.2
109.10162	17.6
111.08159	1.0
117.03384	3.4
117.06996	5.2
119.08594	1.6
121.06535	7.6
121.10151	100.0
122.10448	1.7
131.08563	7.6
133.10159	5.3
135.08067	1.9
135.11700	38.5
145.02850	3.5
149.02328	2.2
149.05978	2.2
149.09605	4.5
149.13240	5.1
159.08066	1.9
159.11699	8.2
162.06874	0.9
177.05501	2.4
177.09122	10.6
177.12782	17.9
177.16400	45.0
178.08586	1.1
182.43390	0.9
198.11047	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1276
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03946	1.7
55.01884	1.7
55.05514	4.0
55.05734	0.8
56.96565	5.0
57.03436	4.4
57.07059	1.1
60.47274	1.0
65.03934	1.3
67.05501	9.3
67.73629	0.8
68.99799	1.0
69.03415	3.7
69.07063	5.9
71.04995	4.4
71.49971	0.9
76.47238	0.9
77.03897	0.8
78.04720	1.4
79.05499	14.2
81.03409	1.5
81.07058	10.5
83.01341	2.2
83.04969	1.6
83.08611	3.2
89.03917	4.7
91.05487	24.8
93.07047	24.4
94.89972	0.9
95.04979	4.4
95.08606	10.6
97.02896	1.9
97.06535	2.5
98.98472	22.5
103.05473	4.6
105.07040	25.2
107.04958	2.7
107.08598	27.2
109.06523	5.8
109.10178	3.0
115.05466	3.1
116.06238	3.0
117.03378	8.7
117.07036	11.5
119.04947	0.9
119.08589	43.3
121.02914	0.9
121.06511	37.8
121.07386	1.8
121.09352	0.6
121.10140	17.4
127.10165	0.9
128.06236	2.0
129.07021	14.8
130.07770	2.5
131.04868	2.0
131.08577	32.2
131.42223	0.7
132.08946	1.0
133.06509	2.5
133.10129	9.1
134.03648	1.6
135.04451	1.2
135.08075	7.2
135.11705	36.8
137.09657	1.2
141.07021	0.9
142.07771	2.1
143.08560	1.9
144.09352	32.8
145.02852	8.7
145.10144	1.1
149.02321	4.9
149.06001	7.7
149.09633	16.2
149.13329	4.6
157.10149	4.3
159.08115	6.6
159.11699	100.0
160.12051	2.6
162.03159	0.9
162.06741	3.2
162.10460	1.1
177.05498	11.3
177.06648	1.0
177.09129	36.2
177.12770	53.6
177.16315	6.4
178.13078	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1276
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02381	1.3
53.03948	8.8
55.01863	4.1
55.05515	25.9
56.82990	1.1
57.03444	7.8
57.07064	3.5
65.03935	2.8
67.05508	17.1
69.03442	8.1
69.07074	31.1
71.05008	7.5
71.21130	2.0
73.55380	0.9
75.87687	1.0
77.03961	2.6
79.05500	54.2
81.03430	1.8
81.07060	41.7
83.04969	5.3
83.08606	8.8
85.06550	1.2
89.03908	3.1
91.04909	1.9
91.05489	59.8
93.07050	100.0
94.07351	1.5
95.04967	10.4
95.08614	19.5
97.06539	4.4
98.98465	10.3
103.05484	4.5
105.04487	2.2
105.07039	37.8
106.04150	1.2
107.04969	12.8
107.08604	59.6
109.06524	12.6
109.10155	3.5
115.05459	6.8
116.06266	2.6
117.03374	5.0
117.07031	38.1
117.07864	2.0
119.06036	2.6
119.08597	19.6
121.06511	38.9
121.10149	22.7
122.07307	2.2
123.08080	2.7
128.06218	1.1
129.07011	11.8
130.07828	5.8
131.04855	1.3
131.08582	46.0
133.06549	2.4
133.10164	13.7
134.03580	1.6
135.08072	17.7
135.11722	11.0
141.07082	1.1
144.09349	9.7
145.02850	5.1
147.08125	1.2
147.11731	1.7
148.08696	2.0
149.02319	1.7
149.05977	4.7
149.09630	10.9
149.13274	16.9
157.10158	1.4
159.08101	2.2
159.11705	36.6
160.11986	1.8
162.03198	1.8
162.06683	1.3
177.05449	9.8
177.09192	14.0
177.12761	66.8
177.16339	3.8
178.13174	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	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
52.52933	1.2
52.68320	1.0
53.03937	2.4
53.88994	1.1
55.01857	1.2
55.05510	8.5
57.07060	3.4
61.55481	1.2
67.05508	9.0
69.03432	1.9
69.07072	44.8
71.10790	2.0
76.19469	1.0
79.05493	15.0
81.07066	15.0
83.01334	1.9
83.08623	14.2
89.03891	2.8
91.05483	22.2
93.07047	39.4
95.04973	2.6
95.08613	50.5
97.10165	2.0
98.98479	12.3
103.05471	3.8
105.07036	12.0
106.04182	1.1
107.04942	3.4
107.08601	64.6
109.06503	2.7
109.10172	19.1
115.05437	1.8
116.06234	1.7
117.03368	5.6
117.07029	10.5
119.06039	1.3
119.08600	5.3
121.06513	18.8
121.10149	100.0
122.10512	1.8
125.40092	1.0
129.07008	1.4
131.04958	1.7
131.08582	10.9
133.10155	3.2
134.03642	1.6
135.04524	1.0
135.08047	3.1
135.11705	17.6
145.02849	5.5
149.02327	1.5
149.06027	6.2
149.09618	16.3
149.13283	8.7
159.08032	5.0
159.11694	4.4
162.03111	2.4
162.06807	3.3
177.05492	8.7
177.09119	29.4
177.12878	7.5
177.16394	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1276
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.00306	1.5
53.03939	4.9
55.01864	1.7
55.05310	1.2
55.05516	12.0
55.94342	1.2
57.07073	1.9
65.03940	2.8
67.05179	1.7
67.05508	22.5
69.03085	1.9
69.03432	25.3
69.07069	23.0
69.54546	3.5
69.54962	4.7
71.04977	2.5
71.08612	1.4
72.11275	1.1
78.04706	1.9
79.05500	21.7
81.07063	30.5
83.04972	3.1
83.08618	5.1
85.06544	1.9
89.03920	13.1
91.04909	1.6
91.05486	31.6
93.07050	59.2
95.04381	2.2
95.04979	38.4
95.08615	20.4
96.23285	1.1
97.06527	4.9
97.10149	1.9
98.20795	2.2
98.98458	6.0
103.05457	10.7
105.07038	27.1
106.04179	7.1
107.04957	3.5
107.08601	100.0
109.06518	17.4
109.10152	6.5
115.05427	1.8
116.06236	3.4
117.03390	17.5
117.07036	15.7
119.05001	1.5
119.07793	2.2
119.08584	23.9
119.59698	1.1
121.06516	49.8
121.10152	76.5
122.72311	1.1
123.08034	1.4
129.07005	5.4
130.07788	1.5
131.04932	6.1
131.08591	17.1
133.06502	3.4
133.10153	15.6
134.03629	16.0
134.07285	1.8
135.04431	3.4
135.08058	56.4
135.11694	20.1
136.08464	1.5
136.12236	1.1
144.09352	10.8
145.02859	13.5
145.06519	1.2
147.08031	1.7
148.08807	1.5
149.02350	1.4
149.06001	35.0
149.09621	10.7
149.13268	27.2
150.13623	1.6
157.10146	2.3
159.08069	2.3
159.11710	40.6
162.03134	41.7
162.06790	5.8
162.10420	1.6
163.03888	2.5
177.05501	43.7
177.09126	39.1
177.12759	91.0
177.16354	18.8
178.13155	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81896	0.8
52.61811	0.9
53.03931	2.9
55.01874	5.5
55.05518	7.8
57.03433	2.7
65.03915	1.5
67.05509	28.5
69.03431	2.3
69.07068	9.8
70.32983	1.3
70.33332	3.0
71.65098	1.0
76.71046	0.7
77.03938	1.4
79.05496	38.1
79.96744	0.8
80.05849	1.3
81.03430	5.3
81.07059	39.1
83.01344	1.7
83.04980	5.9
83.08627	5.7
85.06509	0.9
89.03896	2.6
91.04903	2.0
91.05486	41.9
93.07050	58.7
93.60757	0.9
95.04961	12.1
95.08607	14.1
97.06529	11.8
98.98472	8.5
99.08034	1.3
100.94119	0.9
103.05461	3.6
105.04526	1.6
105.07034	27.4
107.04953	5.7
107.08601	29.7
109.06530	5.5
109.10165	3.6
111.08065	3.7
115.05455	2.6
117.03374	3.8
117.06235	1.8
117.07022	28.7
119.08585	7.2
121.06516	17.7
121.10154	22.3
123.08060	1.1
129.06993	3.3
130.07724	1.0
131.04927	1.7
131.08583	35.6
133.06465	0.9
133.09119	1.9
133.10139	40.3
134.03691	1.3
134.10449	1.5
135.08055	10.2
135.11705	14.1
144.09377	2.1
145.02856	4.0
149.05956	5.4
149.09616	10.6
149.13261	16.3
157.10161	1.4
159.08066	2.8
159.11705	49.3
160.12000	0.9
161.41537	1.0
162.06752	2.3
177.05464	8.4
177.09204	13.3
177.12756	100.0
177.16251	7.1
178.13148	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.39076	1.5
53.03938	3.2
55.01855	2.6
55.05518	7.5
57.07084	2.0
60.77706	1.5
60.95897	2.0
65.03939	4.5
67.05519	17.3
67.23059	1.5
69.03432	27.2
69.07078	11.2
70.45743	4.7
71.04996	2.9
79.05497	12.4
81.07070	29.0
83.04976	3.5
89.03925	6.1
91.05492	20.4
93.06489	2.8
93.07052	49.5
95.04971	40.6
95.08588	6.5
97.06532	4.2
98.98467	3.2
103.05490	7.2
105.07048	20.9
106.04207	3.8
107.04945	1.9
107.08603	86.6
109.06512	18.4
115.05470	2.6
117.03385	5.9
117.07006	9.7
119.06051	1.6
119.08582	21.6
121.06507	32.5
121.10152	37.5
129.07004	7.0
130.07762	2.6
131.04962	3.4
131.08571	15.6
133.06526	2.5
133.10150	20.7
134.03638	6.8
135.08070	60.3
135.11694	23.8
144.09331	8.6
145.02844	6.7
149.05937	9.8
149.09676	6.1
149.13264	30.4
157.10133	3.0
159.11705	50.8
162.03127	13.0
177.05490	15.8
177.09268	9.1
177.12761	100.0
178.13100	2.0
194.83228	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.1
55.01883	4.9
55.05516	6.6
57.03434	2.4
65.03938	1.2
67.05186	1.5
67.05514	25.6
69.03423	2.2
69.07077	9.9
69.95720	2.1
69.96137	3.5
71.05011	1.3
77.03909	1.5
79.05499	39.5
81.03438	5.2
81.07068	38.0
83.01334	1.7
83.04983	4.0
83.08619	3.5
89.03902	3.7
91.05490	53.2
93.07052	56.7
94.07348	1.4
95.04977	11.3
95.08621	13.1
97.06541	12.3
98.98483	9.7
103.05472	4.4
105.04530	1.9
105.07040	32.0
107.04969	7.2
107.08607	26.4
109.06518	8.3
109.10146	4.4
111.08079	4.4
112.75004	1.1
115.05457	3.1
116.06229	3.5
117.03401	3.9
117.07029	27.1
119.08607	7.2
121.06525	30.7
121.10164	15.5
129.07025	4.5
130.07791	1.4
131.04916	2.4
131.08578	52.6
133.06525	1.7
133.10141	38.6
134.10481	1.4
135.04410	1.3
135.08084	11.8
135.11697	12.7
144.05785	1.4
144.09343	2.5
145.02846	4.2
147.04424	1.3
149.02344	1.1
149.05989	5.6
149.09622	16.2
149.13280	17.5
157.10147	1.2
159.08110	5.6
159.11702	45.4
160.12004	2.3
162.03146	1.5
162.06790	2.6
177.05487	9.1
177.09140	24.4
177.12762	100.0
177.16338	3.4
178.13092	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0912
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03949	1.0
53.04177	0.2
55.01867	0.7
55.05519	0.5
56.96568	0.2
57.03448	0.3
63.02393	0.5
64.90661	0.2
65.03950	0.3
66.58128	0.2
67.05521	1.3
68.99815	0.3
69.03437	0.9
69.07082	0.7
69.41290	0.9
69.41716	0.9
77.03896	0.5
78.04729	1.1
79.05495	2.6
81.03415	0.6
81.07059	2.4
83.01359	0.9
89.03924	14.0
91.05485	8.5
93.07055	5.8
95.04980	1.7
95.08603	1.4
97.02900	0.8
97.06580	0.3
98.21553	0.3
98.98477	5.5
103.05486	1.9
103.52305	0.3
105.03402	0.3
105.04508	0.5
105.07049	3.3
106.04194	1.2
107.04976	2.9
107.08594	2.6
108.05797	0.4
109.06522	2.1
109.10173	0.5
111.82436	0.2
115.05493	0.6
116.06258	1.1
117.03391	23.6
117.07037	1.2
118.03716	0.3
119.04944	0.5
119.08601	1.2
121.06512	100.0
121.10104	2.5
122.06831	1.8
129.07010	0.8
131.04962	0.6
131.08585	5.9
133.06525	0.5
133.10136	1.6
134.03641	2.8
135.04427	2.4
135.08093	1.1
135.11719	1.2
137.05991	0.6
141.07043	0.3
144.05714	0.5
144.09377	0.5
145.02856	28.3
146.03209	0.5
147.04417	0.7
147.08148	0.5
148.05142	0.3
149.02364	0.7
149.05992	7.6
149.09627	18.8
149.13283	1.3
150.09981	0.4
153.93753	0.4
159.08051	2.4
159.11702	3.9
162.03154	0.8
162.05640	0.2
162.06802	1.5
162.07951	0.3
163.03899	0.2
177.05511	8.1
177.09116	25.3
177.16402	0.6
178.09576	0.3
186.05563	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0912
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
52.10994	0.6
52.27605	0.6
53.03938	2.7
55.01869	1.1
55.05498	1.7
65.03949	0.7
67.05488	1.7
68.99774	1.4
69.03429	5.8
69.07066	4.8
69.51153	3.0
69.51569	1.1
77.03918	1.1
79.05495	5.5
81.03424	0.9
81.07061	4.0
83.01344	7.1
83.08612	2.3
85.14564	0.6
89.03893	1.5
91.05488	14.0
93.07051	11.1
95.04965	2.4
95.08611	6.8
97.02921	4.6
98.98475	7.8
103.05440	3.7
105.04510	1.1
105.07040	7.3
107.04958	3.1
107.08607	9.7
109.06521	9.6
109.10146	3.8
115.05461	2.7
116.06234	2.0
117.03381	2.0
117.07064	4.1
119.06098	0.6
119.08575	2.4
121.02805	0.7
121.06515	62.0
121.10149	14.9
121.88409	0.6
121.96596	0.6
122.06853	0.7
123.50574	0.7
129.07022	2.0
131.04890	2.0
131.08574	13.9
131.09538	1.1
133.10123	1.5
134.07292	1.0
135.04475	0.8
135.08044	2.7
135.11693	2.3
137.05974	3.5
138.46364	0.7
141.07019	1.9
144.05746	1.9
144.09358	1.2
145.02837	2.3
147.04424	2.7
147.80972	0.7
149.02333	1.0
149.06024	4.1
149.09628	50.0
149.13268	1.6
150.09964	0.9
155.47717	0.6
159.08078	9.7
159.11737	2.9
161.06003	1.0
162.03108	0.8
162.05495	1.1
162.06779	14.6
177.05725	4.6
177.09116	100.0
177.16362	7.6
178.09413	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	177.0911
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
50.01593	0.6
53.03949	1.6
55.01867	1.1
55.05510	2.6
57.07056	0.6
59.04988	0.9
60.01303	0.5
61.71901	0.5
65.03925	0.9
67.05505	3.3
68.99778	1.7
69.03439	4.4
69.03786	0.7
69.07070	4.2
70.37975	1.2
78.04713	1.0
79.05494	7.8
80.37753	0.5
81.07056	6.9
83.01350	7.5
83.04976	0.5
83.08621	2.8
89.03922	3.7
91.05480	19.5
93.07044	14.6
95.04975	1.8
95.08608	7.2
97.02897	4.0
97.06542	1.1
97.10179	0.5
98.98473	7.6
100.98890	0.5
103.05464	3.9
105.03434	0.5
105.04535	0.6
105.07034	9.2
106.04206	3.0
107.04968	4.0
107.08595	16.0
109.06518	10.7
109.10165	4.2
115.05472	1.7
116.06241	2.9
117.03377	5.1
117.07010	5.1
119.04918	1.0
119.06059	1.2
119.08553	2.6
121.06508	74.2
121.10141	15.5
122.06833	0.9
124.97971	0.5
129.07025	1.7
131.04921	3.4
131.08572	15.7
133.06477	1.2
133.10146	2.2
134.03629	2.2
134.07268	0.7
135.04393	1.0
135.08028	3.6
135.11700	4.2
137.05994	5.8
141.06985	1.2
144.05766	2.5
144.09325	0.6
145.02856	5.3
145.06500	1.3
147.04408	2.7
149.02356	0.6
149.05984	6.8
149.09627	48.7
149.13255	1.9
150.09932	0.9
159.04459	1.1
159.08055	11.0
159.09273	0.9
159.11694	4.6
161.05986	1.4
162.03131	4.2
162.06763	14.5
162.10367	0.6
162.29765	0.5
177.05553	11.1
177.09114	100.0
177.12674	10.6
177.16389	8.3
178.09500	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	177.0912
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03939	1.2
55.01867	0.9
55.05513	2.6
65.03922	0.6
67.05501	2.4
68.52817	0.4
68.99770	0.4
69.03432	5.3
69.07073	3.3
69.52114	3.0
72.13553	0.5
78.04705	1.2
79.05499	5.3
81.03403	0.4
81.07064	4.6
83.08608	1.6
89.03909	2.0
91.05487	21.5
93.06482	0.7
93.07050	9.9
95.04970	1.0
95.08616	6.3
95.68386	0.4
97.10151	0.8
98.21494	0.7
98.98471	6.4
103.05478	4.9
105.07036	10.4
106.04196	3.2
107.04964	1.4
107.08598	11.2
109.06519	1.2
109.10162	2.3
115.05469	3.1
116.06243	4.1
117.03405	3.4
117.07021	4.1
119.04950	0.7
119.08601	2.0
121.06519	10.2
121.10153	13.3
123.04420	0.6
128.06253	0.6
129.07014	3.5
131.04947	2.4
131.08571	26.8
133.06517	0.9
133.10126	1.8
134.03616	1.8
135.04463	2.7
135.08061	8.2
135.11682	3.0
141.06990	4.4
144.05717	5.0
144.09364	0.9
145.02878	3.3
145.06497	0.6
146.03641	0.9
147.04355	0.8
149.02316	1.1
149.06009	5.7
149.09657	3.6
149.13242	1.3
159.04500	0.6
159.08061	19.2
159.11671	3.2
162.03136	1.5
162.06822	3.7
169.07634	0.7
177.05618	9.1
177.09119	100.0
177.16429	5.3
178.09465	2.5
192.36560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0911
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
50.45499	0.4
53.03939	1.6
55.01870	0.6
63.75478	0.4
67.05490	0.6
68.99789	0.9
69.03438	2.6
69.82803	2.3
77.03901	0.5
79.05489	2.2
81.07041	0.8
83.01347	6.0
86.69447	0.5
91.05482	9.8
93.07055	4.5
95.04960	0.5
95.08598	0.7
97.02899	3.5
98.98480	1.7
103.05482	1.2
105.07048	3.6
107.04948	2.9
107.08591	2.0
109.06528	7.9
109.10171	1.2
115.05448	1.4
116.06245	2.8
117.03432	0.6
117.07027	3.6
119.08616	0.5
121.06510	50.1
121.10129	3.9
122.06844	0.6
129.07004	1.5
131.08578	8.2
133.06483	0.9
133.10144	0.9
134.07265	1.3
135.08037	1.8
135.11693	0.6
137.05984	3.6
141.07019	1.4
144.05675	2.5
145.06500	0.8
147.04416	2.1
148.05266	0.6
149.06000	1.0
149.09630	37.3
150.09958	0.7
156.37315	0.4
159.08069	6.6
161.05966	1.6
162.06776	12.8
177.09119	100.0
177.12578	2.1
178.09445	1.9
190.72920	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0912
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03954	1.6
53.82901	0.4
55.01879	1.1
55.05524	1.6
65.03938	0.5
67.05504	2.0
68.99802	1.3
69.03438	3.6
69.07056	1.0
69.65903	2.5
76.10762	0.4
79.05502	3.9
81.07059	2.2
83.01346	6.3
83.08663	0.6
89.03922	2.4
91.05493	14.2
93.07056	7.3
95.05014	1.3
95.08622	1.9
97.02901	4.3
98.98488	4.1
103.05464	2.8
105.03438	0.4
105.04524	0.7
105.07037	5.5
106.04190	1.6
107.04952	3.6
107.08594	4.8
109.06529	10.8
109.10165	1.7
115.05463	1.7
116.06275	2.9
117.03379	2.4
117.07037	3.3
119.04958	0.5
119.06030	0.7
119.08609	1.8
121.06516	70.1
121.10146	7.5
122.06884	1.1
129.06976	2.1
131.04965	0.8
131.08582	14.2
133.06516	0.4
133.10133	1.8
134.03630	0.9
134.07269	0.8
135.04488	0.6
135.08078	2.9
135.11700	2.9
137.05998	3.0
141.07022	1.7
144.05733	2.3
144.09343	1.0
145.02899	2.1
145.06471	1.1
147.04379	2.9
149.06027	4.9
149.09634	50.8
150.09979	1.2
159.04539	0.5
159.08066	10.5
159.11711	3.3
161.06009	0.9
162.03130	1.1
162.06769	11.9
177.05746	4.8
177.09120	100.0
177.16418	2.2
178.09474	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	177.0912
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03737	0.6
53.03952	2.6
55.01876	2.0
55.05511	3.4
62.53294	0.6
65.03930	1.3
65.45083	0.5
67.05509	3.4
68.99445	0.5
68.99807	1.9
69.03440	4.5
69.07082	3.5
69.61466	1.3
69.61874	2.5
71.05002	0.9
77.03918	0.8
77.61996	0.7
77.80779	0.6
78.04723	1.8
79.05484	7.2
81.03416	0.7
81.07059	5.7
83.01342	8.9
83.05027	0.6
83.08630	2.1
88.02223	0.6
89.03917	6.3
91.05485	22.9
93.07046	17.9
94.71684	0.6
95.04969	3.2
95.08627	7.0
97.02886	5.6
98.20708	0.5
98.98469	8.3
101.04242	1.0
103.05480	6.1
105.04504	1.0
105.07039	9.6
106.04179	5.7
106.07352	0.7
107.04964	5.5
107.08598	17.3
109.06524	10.3
109.10169	3.2
113.75411	0.6
115.05466	2.0
116.06246	3.6
117.03385	5.8
117.07015	5.3
118.41912	0.6
119.04942	1.9
119.08569	4.3
120.08946	0.6
121.06511	79.9
121.10147	18.0
122.06011	0.6
122.06850	1.2
123.04434	0.6
129.07025	3.4
130.07811	0.6
130.67621	0.6
131.04927	2.5
131.08566	19.5
133.06477	0.9
133.10158	3.8
134.03671	4.2
134.07262	1.1
135.04436	2.4
135.08061	8.2
135.11702	4.6
137.05991	5.5
141.06967	1.7
144.05702	2.7
144.09331	1.0
145.02847	6.2
145.06482	2.6
147.04379	3.2
149.02339	1.1
149.05989	14.0
149.09628	48.8
149.13225	2.9
150.09979	1.4
156.74974	0.7
159.04448	1.1
159.08058	10.9
159.11700	4.7
161.05984	1.7
162.03130	3.0
162.06795	12.3
163.03928	2.6
177.05550	14.7
177.09117	100.0
177.12662	12.4
177.16399	8.0
178.09447	2.5
199.96040	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0912
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03936	0.3
55.05498	0.3
56.64176	0.2
61.30984	0.2
63.16979	0.2
67.05476	0.4
69.07060	0.6
69.63400	1.2
74.32442	0.2
78.04691	0.5
79.05498	1.3
79.43932	0.2
81.07050	0.4
89.03912	0.5
91.05484	6.1
93.07051	1.8
93.13606	0.2
95.04965	0.5
95.08587	0.7
98.20824	0.5
98.98462	1.2
103.05444	1.4
105.03342	0.2
105.07031	1.5
106.04188	0.4
106.07811	0.7
107.04915	0.6
107.08572	1.2
109.06511	0.3
109.10186	0.3
115.05468	4.0
116.06253	3.6
117.03374	1.1
117.07027	13.9
119.04938	1.9
119.08604	0.8
119.99838	0.2
121.05666	0.5
121.06514	8.0
121.10155	1.4
129.07068	0.4
131.04935	0.9
131.08524	1.6
133.06505	3.7
133.10161	0.4
134.03647	0.5
134.07283	4.4
135.08069	2.9
135.11661	0.4
135.78677	0.2
144.05713	2.1
145.02826	0.7
145.06490	2.0
146.07220	0.3
147.04407	0.7
147.08080	0.5
149.05971	1.1
149.09641	1.5
150.71756	0.2
159.08052	0.7
159.11716	0.6
161.05980	1.6
162.03127	0.9
162.06776	13.3
163.07016	0.2
175.07529	0.6
177.09117	100.0
178.09485	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	177.0911
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03948	2.5
55.01875	1.2
55.05512	3.0
55.15163	0.6
63.95456	0.5
65.03943	1.2
67.05508	4.5
68.99788	1.3
69.03440	6.7
69.07068	4.7
70.15358	1.7
70.15733	1.2
77.03934	1.5
78.04710	1.0
79.05492	7.1
81.03412	0.9
81.07064	15.0
81.35445	0.5
83.01346	5.2
85.06523	0.7
89.03919	6.9
91.04910	0.7
91.05484	18.6
93.07049	44.0
93.45734	0.7
95.04978	5.4
95.08607	2.5
97.02898	3.4
97.06520	1.1
98.98474	3.1
103.05469	2.9
105.04549	1.1
105.07037	15.8
106.04188	1.6
106.67241	0.6
107.04955	3.8
107.08603	23.7
109.01916	0.5
109.06525	9.6
109.10120	1.3
115.05457	2.6
116.06246	2.2
117.03392	11.3
117.07023	7.1
119.08585	6.5
120.08167	0.9
121.06514	100.0
121.10143	15.0
122.06850	1.1
129.07031	4.0
130.07767	1.7
130.15437	0.5
131.08577	17.5
133.06519	1.6
133.10144	3.4
134.03661	2.4
135.04391	1.1
135.08054	6.1
135.11699	2.6
137.05971	3.4
141.07030	1.5
144.05710	1.9
144.09341	5.0
145.02869	12.8
145.06477	0.8
147.04430	2.1
147.11708	3.6
149.06021	6.5
149.09631	34.4
149.13269	30.8
157.10152	1.1
159.08078	7.9
159.11705	20.8
161.06023	0.9
162.03168	1.4
162.06795	10.3
176.22343	0.5
177.05617	6.3
177.09125	70.3
177.12724	26.8
177.64932	0.5
178.09392	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02398	0.5
52.17870	0.4
52.97844	0.4
53.03946	2.1
55.05498	1.4
55.36052	0.5
55.87399	0.5
56.53230	0.4
57.07056	0.5
59.16625	0.4
62.01575	0.5
62.82053	0.5
63.02383	1.5
65.03943	1.0
67.05505	2.7
69.03436	4.4
69.07062	1.8
69.77361	2.4
71.04980	0.5
77.03944	0.8
78.04704	2.8
79.05483	3.6
81.07024	2.8
83.04994	0.8
85.06541	0.8
89.03915	46.2
90.04241	0.9
91.05480	10.1
93.07035	7.6
95.04977	5.4
95.08601	1.3
98.21426	0.8
98.98468	7.2
103.05476	3.7
105.03326	0.7
105.04538	0.7
105.07028	6.2
106.04178	4.3
107.04961	1.0
107.08592	9.1
109.06505	2.5
115.05436	1.1
116.06223	1.3
117.03376	76.9
117.07011	3.2
118.03717	1.5
119.04931	1.1
119.08569	3.4
121.06499	14.0
121.10166	5.3
124.05239	0.5
129.07004	1.1
130.07806	0.7
131.04932	5.1
131.08566	6.5
133.06503	0.8
133.10115	2.3
134.03635	9.6
134.09660	0.6
135.04436	5.4
135.08055	8.4
135.11684	2.6
144.05667	0.7
144.09352	1.9
145.02843	100.0
146.03249	1.7
147.04419	1.0
147.08098	0.5
149.02296	1.2
149.05981	24.7
149.09619	4.4
149.13252	2.8
159.04459	1.8
159.08031	1.4
159.11699	4.8
162.03078	3.4
162.06754	2.1
163.03874	1.6
177.05470	26.2
177.09093	20.5
177.12717	11.8
178.05974	0.6
178.12202	0.5
186.05478	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
51.02368	1.2
53.03944	1.9
55.01870	1.6
55.05512	7.9
55.68266	0.8
57.07067	0.7
60.05636	0.9
65.03934	2.2
67.05186	1.1
67.05511	16.9
69.03423	1.9
69.07068	10.4
70.06586	1.5
70.25092	0.7
70.75130	1.5
70.75477	1.4
77.03912	1.5
79.05497	20.1
81.03416	1.2
81.07059	52.4
83.08620	2.5
89.11483	0.8
89.99457	0.7
91.05485	53.7
92.05806	1.3
93.07047	38.7
95.04953	2.0
95.08611	36.7
95.09114	0.6
98.98470	38.7
103.05461	2.4
104.06271	1.2
105.07037	64.5
106.07340	1.7
107.04961	1.9
107.08605	16.0
109.10153	6.5
115.05453	3.3
116.06181	1.6
117.07021	8.3
119.04935	3.2
119.08587	88.2
120.08893	1.4
121.06513	4.1
121.10145	2.7
127.03876	0.7
128.06218	3.7
129.07014	14.0
129.67966	0.7
131.08560	11.4
132.05743	2.5
133.06529	3.7
133.10139	58.2
134.10587	1.0
142.07799	7.4
145.06532	2.2
145.10164	5.1
146.07254	1.8
146.10907	1.3
147.04420	3.3
147.08041	7.9
147.11694	30.9
157.06480	1.6
157.10123	9.8
160.05214	5.3
160.08786	2.7
160.12509	1.3
160.52074	0.8
173.13193	2.1
175.03984	3.8
175.07549	35.7
175.11198	31.5
175.14833	100.0
176.08029	0.9
176.15137	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	176.011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61164	1.2
70.73466	3.8
124.11274	1.2
132.02124	100.0
134.03635	1.3
176.01128	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	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03940	1.0
55.01869	0.5
57.74051	0.4
60.82380	0.4
62.01616	0.4
63.02388	1.8
67.05490	0.4
68.99819	0.4
69.03412	0.5
69.59311	0.5
69.59714	2.4
78.04708	3.5
78.90568	0.4
79.05500	1.6
81.07068	1.2
83.87029	0.4
89.03926	52.3
90.04237	0.6
91.05487	5.9
93.07063	2.5
95.04983	1.2
95.08624	1.4
98.98478	3.9
103.05448	2.2
105.03399	0.6
105.07052	1.7
106.04191	4.2
107.04967	0.7
107.08588	2.8
109.06521	1.0
117.03391	86.9
118.03693	2.0
119.04958	1.0
119.08578	1.0
121.06512	6.9
121.10165	1.8
124.05228	0.6
131.08575	2.9
133.10161	0.6
134.03644	9.9
135.04466	4.7
135.08049	0.6
135.11725	0.7
135.90642	0.6
145.02859	100.0
146.03201	1.8
149.02428	0.5
149.05997	23.8
149.09590	3.3
158.06041	1.8
159.08047	1.5
159.11717	2.1
162.03149	1.7
162.06802	0.5
163.03937	1.3
167.00127	0.4
175.80066	0.4
177.05487	23.8
177.09096	6.3
177.12756	2.5
177.16371	0.7
178.05873	0.5
186.05518	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03943	2.1
53.77241	0.9
53.96766	0.8
55.05518	7.6
55.22463	0.8
59.17250	0.9
59.94630	1.0
65.03945	1.0
67.05515	17.0
69.07069	5.4
70.13854	4.5
75.14906	0.8
76.01394	0.9
79.05505	19.1
81.07066	60.2
82.07402	1.0
83.08639	2.2
86.21294	0.9
90.01433	1.1
91.05493	42.2
93.07054	43.1
93.07645	2.1
95.04987	1.8
95.08617	40.9
98.98475	18.9
103.05471	1.9
105.07043	62.2
106.07345	1.1
107.04964	2.1
107.08611	16.5
109.10196	6.6
115.05480	1.0
117.07022	7.2
118.81623	1.0
119.08595	77.4
120.08894	2.0
121.10139	1.8
129.06995	5.0
131.08562	8.2
133.06526	2.8
133.10146	57.9
140.01866	1.0
142.07820	5.0
145.10164	3.5
146.07278	1.2
146.10927	2.2
147.04395	0.9
147.08057	2.9
147.11702	32.1
151.60966	0.8
157.10176	5.4
160.05264	1.0
160.08910	1.6
160.72472	1.0
173.13293	2.4
175.07628	7.1
175.11249	17.2
175.14847	100.0
176.15228	3.1
186.06314	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
50.23718	0.6
50.53659	0.6
55.05268	0.7
55.05514	4.6
57.07070	1.3
65.03917	0.8
67.05514	3.2
69.07071	10.7
69.81011	1.3
69.81423	2.4
79.05491	4.7
81.07067	9.4
83.08620	2.6
91.05486	13.2
93.07059	5.1
95.08611	9.5
98.98472	19.5
103.05472	0.8
105.07040	29.0
107.08598	5.8
109.10143	0.9
117.07040	5.3
119.08590	65.3
120.08858	0.8
121.10157	2.5
129.07031	1.9
131.08566	6.3
132.05740	0.8
132.09372	0.8
133.10139	68.6
134.10800	1.3
142.07756	1.7
145.06418	0.6
145.10109	10.0
147.08066	0.9
147.11697	26.9
148.11993	0.7
157.04250	0.6
157.10109	2.9
159.11729	5.1
160.08829	1.3
160.12502	8.5
161.13203	1.0
173.13283	1.4
175.07523	4.0
175.11348	6.1
175.14833	100.0
176.15160	2.7
177.21291	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
50.97259	0.8
53.03951	1.5
55.05314	0.8
55.05513	8.8
57.07077	2.0
65.03944	0.9
67.05514	5.4
69.07069	13.8
69.24879	0.7
70.56802	1.4
74.10439	0.8
76.06042	0.8
79.05502	6.8
81.07063	36.9
83.08600	3.0
88.97433	0.7
89.11115	0.9
91.05482	21.3
92.67525	0.8
93.07049	10.3
95.04981	1.3
95.08615	24.2
98.98477	4.6
103.05470	2.4
104.06281	1.2
105.07037	56.3
106.07362	1.2
107.08605	11.8
109.10234	1.0
115.05441	5.1
117.07023	6.2
118.07767	0.8
119.08589	100.0
120.08836	1.1
121.06535	0.8
121.10134	1.9
128.06177	1.2
129.07016	1.7
131.08583	9.4
132.05714	1.4
132.09358	1.2
133.10138	89.2
134.10501	2.3
142.07797	1.9
144.05714	0.9
145.10118	7.0
146.10895	3.6
147.08063	3.1
147.11714	15.4
157.10135	2.4
160.05193	6.3
160.08847	1.6
160.12486	3.5
173.13257	2.2
175.07556	13.3
175.11275	9.8
175.14838	86.1
176.15176	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03955	1.1
53.28009	0.6
54.51544	0.5
55.05513	8.0
57.07085	1.0
67.05510	2.2
69.07069	22.3
70.43685	1.1
70.44050	1.1
72.29948	0.6
77.08148	0.7
79.05495	3.8
81.07055	9.0
83.08613	3.4
91.05489	12.6
93.07043	4.5
95.08609	6.4
98.98493	3.7
103.05463	1.3
104.06248	0.7
105.07034	27.8
107.08595	6.5
115.05475	1.7
117.07011	4.7
118.47024	0.6
119.08585	91.5
120.08855	0.6
121.10144	3.1
129.07010	0.9
131.08540	4.5
132.05705	1.2
132.09317	0.9
133.10133	84.1
134.10513	1.3
135.11668	0.7
142.07857	0.7
144.09314	0.5
145.10120	8.4
146.10881	1.1
147.08073	1.3
147.10530	0.7
147.11690	13.4
159.11729	0.9
160.05211	4.0
160.12480	4.6
173.13234	3.8
175.07553	8.4
175.14828	100.0
176.15182	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03946	2.3
55.05515	8.3
67.02888	0.8
67.05181	1.5
67.05511	18.6
69.03445	1.2
69.07073	14.3
71.30877	1.2
71.31220	1.5
79.05500	13.5
81.06590	2.0
81.07063	40.0
83.08641	2.2
89.50841	0.9
91.05489	52.0
93.06488	1.5
93.07048	22.4
95.08616	33.6
97.88203	0.9
98.98474	47.3
103.05479	2.3
104.06216	1.3
105.07040	72.4
106.07341	1.2
107.08602	18.0
109.10148	5.3
115.05421	1.7
117.07026	8.2
119.02753	0.9
119.08590	100.0
120.08935	2.2
121.06512	1.4
121.10143	3.6
129.06996	2.4
131.08574	8.7
132.05685	2.1
132.09341	2.5
133.10138	59.4
134.10434	1.3
138.84866	1.0
142.07774	1.6
145.06551	1.0
145.10152	2.5
146.10904	2.4
147.08031	3.8
147.11703	24.4
148.12056	1.0
157.04227	1.0
157.06520	0.9
157.10124	2.1
160.05206	1.6
160.08867	2.3
160.12434	1.4
167.06200	0.8
173.13272	1.3
175.03880	1.2
175.07553	18.3
175.11255	9.8
175.14838	87.6
176.15184	2.7
193.13115	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
52.61425	0.8
53.03942	1.1
53.05766	0.7
55.02208	0.7
55.05513	9.1
57.07060	0.9
60.19858	0.7
65.03942	0.9
67.05486	3.4
69.07073	22.0
71.10387	1.3
79.05489	4.6
81.07064	11.8
81.33089	0.7
82.19870	0.7
83.08623	4.2
91.05486	14.0
91.68378	0.8
93.07040	4.6
95.04955	1.1
95.08620	10.0
95.36410	0.8
98.98479	4.0
103.05451	1.4
105.07036	35.5
107.08582	7.0
115.05441	1.9
117.07007	4.5
119.08588	100.0
120.08823	0.9
121.06532	1.9
121.10149	3.6
129.07011	2.2
131.08563	6.4
132.09381	1.2
133.10138	89.1
142.07765	1.2
145.06502	1.5
145.10114	7.8
146.07280	1.4
146.10947	2.2
147.08061	3.2
147.11697	13.6
157.10115	1.6
160.05174	2.4
160.08841	1.5
160.12466	4.1
173.13327	3.3
175.07588	9.8
175.11281	10.6
175.14833	96.1
175.80225	0.8
176.11671	0.9
176.15146	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	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.2
51.23024	0.2
53.03938	0.3
55.05511	0.5
65.03950	0.3
67.05502	0.5
69.07070	0.8
70.06590	0.2
71.28077	0.2
71.28432	0.2
75.01079	0.2
79.05497	0.8
81.07051	1.0
91.05489	6.2
93.07053	1.0
95.08586	0.4
97.02885	0.4
98.98475	11.0
103.05472	0.6
104.06229	0.5
105.07038	6.9
107.04975	0.2
107.08604	0.4
115.05442	0.4
115.08644	0.2
117.07070	1.6
119.08590	100.0
120.08923	1.7
121.06493	0.4
128.06219	0.3
129.07010	0.9
131.08574	0.9
133.06502	0.7
133.10139	18.7
134.10472	0.4
142.07811	0.5
145.10130	0.4
146.07266	0.3
147.08073	1.3
147.11699	2.2
151.94000	0.4
157.06517	0.2
157.10135	0.7
160.05176	0.4
160.08841	0.7
175.06056	0.3
175.07568	4.3
175.11185	4.1
175.14828	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03939	2.8
55.01859	2.2
55.04609	0.7
55.05508	6.3
56.96572	4.0
57.07076	0.8
57.41796	0.8
65.03947	1.9
67.05182	1.4
67.05508	19.0
69.03423	2.2
69.06735	1.0
69.07073	11.9
70.06619	1.6
71.40173	1.6
72.99059	0.7
79.05496	20.1
81.07059	45.3
83.04946	1.0
83.08607	1.7
87.04433	0.9
91.05483	54.4
92.90070	1.4
93.07051	20.5
95.04977	2.9
95.08611	22.0
97.02893	1.0
98.98470	50.4
103.05489	3.7
104.06247	1.4
105.07034	73.6
107.04941	2.1
107.08590	14.7
109.06515	5.2
109.10150	5.5
109.79348	0.8
115.05457	2.3
116.06286	1.5
117.07028	10.1
118.07838	0.8
118.29110	0.9
119.04944	2.0
119.08585	100.0
120.08861	1.9
121.06463	3.9
121.10175	2.5
127.07529	4.2
128.06232	3.1
129.07011	11.1
131.08568	12.4
132.05707	2.6
132.09341	3.1
133.06517	5.6
133.10135	61.0
133.92964	1.0
134.10516	1.4
135.80293	0.9
141.07021	1.5
142.07776	10.1
145.06482	3.3
145.10146	5.6
146.07260	2.2
146.10933	1.6
147.04440	1.2
147.08057	10.3
147.11687	23.4
151.93857	2.1
157.04253	0.8
157.06471	2.0
157.10126	12.0
160.05188	3.1
160.08873	6.0
160.12471	2.3
173.13307	1.0
175.03961	1.1
175.07567	31.3
175.11194	53.1
175.14828	72.9
176.11507	1.5
176.15178	2.3
179.20897	0.8
182.10510	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
54.83346	0.8
55.01861	1.0
55.05517	6.9
60.29746	0.7
65.03941	0.8
67.05502	3.9
69.03424	1.5
69.06728	1.1
69.07076	12.5
71.38671	1.1
78.04690	0.9
79.05508	4.4
80.09944	0.7
80.53220	0.9
81.07064	7.9
83.08614	3.1
91.05489	26.5
93.07072	6.8
95.04964	1.0
95.08614	4.6
98.98474	5.8
103.05470	2.8
104.06261	2.7
105.07041	57.9
107.04984	0.9
107.08592	6.0
115.05472	10.1
116.06261	1.7
117.07025	9.0
118.29768	0.8
119.04941	1.6
119.08591	86.9
121.06503	4.9
121.10186	1.8
128.06213	2.7
129.07002	7.3
131.04936	1.2
131.08582	10.7
132.05722	5.0
132.09367	0.9
133.06544	4.3
133.10141	55.7
134.10461	0.9
141.06998	3.6
142.07794	47.2
143.04951	1.5
144.05716	2.0
145.06517	5.0
145.10161	7.5
146.07281	4.4
146.10909	1.6
147.08060	12.9
147.11702	20.7
157.10144	51.5
158.10524	1.1
159.08081	1.1
160.05222	12.2
160.08841	9.9
160.12477	1.7
169.07600	0.9
173.09584	0.8
173.13272	1.5
175.07600	24.3
175.11205	100.0
175.14827	49.8
176.11565	2.7
176.15175	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0755
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
51.68452	0.4
51.90211	0.4
53.03920	0.4
55.05510	2.1
67.05509	1.6
69.03428	0.8
69.07076	3.2
70.06591	0.6
70.39944	0.3
70.68436	0.8
72.93777	0.5
79.05482	2.3
81.07056	4.6
83.08621	1.2
87.04505	0.5
91.05486	11.0
91.06024	0.8
93.07058	2.2
95.04983	0.4
95.08611	3.3
98.98469	17.1
101.35262	0.4
103.05466	1.7
104.06277	2.4
105.03389	1.0
105.07035	14.1
107.04942	1.0
107.08620	2.8
110.37285	0.4
115.05459	44.5
116.06302	3.1
117.07024	11.5
118.04182	0.5
119.04967	1.2
119.08588	27.1
121.06508	1.1
127.03962	0.5
128.06233	4.5
129.07010	6.6
131.04922	3.9
131.08574	3.2
132.05724	9.6
133.06519	2.1
133.10135	20.9
141.06975	0.4
142.04082	0.5
142.07779	2.2
143.04926	10.8
144.05704	11.8
145.06502	2.4
145.10136	1.8
146.07246	1.5
146.10931	0.6
147.04417	0.8
147.08058	7.8
147.11699	5.4
148.08391	0.5
155.06068	1.4
157.06447	1.2
157.10147	3.6
158.07256	0.6
159.04405	0.6
160.05205	75.4
160.08752	1.8
160.12456	0.5
161.05661	2.4
174.06885	0.4
175.07552	100.0
175.11134	14.9
175.14833	18.8
176.07977	2.7
176.15117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03935	1.0
55.05512	5.7
65.03910	0.9
67.05184	0.8
67.05508	8.3
69.07085	5.1
71.51744	1.3
75.88130	0.8
77.01591	0.7
79.05484	7.5
81.07059	30.7
83.08625	1.3
91.05484	20.3
93.07047	14.8
95.08611	55.2
96.08952	1.0
98.98472	49.6
103.05482	1.1
105.07036	68.9
107.04923	0.8
107.08598	9.0
109.10169	4.1
115.05452	1.1
116.99477	1.0
117.07027	11.9
119.08588	56.0
121.06478	1.1
121.10155	1.2
129.06967	2.3
131.08580	7.0
132.09354	4.7
133.06451	0.8
133.10136	46.5
133.93086	0.9
134.07138	1.2
134.10489	1.1
140.01062	0.8
142.07837	1.6
145.10141	2.0
146.10838	1.2
147.08041	1.8
147.10519	1.6
147.11687	25.1
151.93964	0.8
157.04301	4.8
157.10135	2.5
158.12074	0.9
160.05235	0.9
160.08788	1.8
160.12442	1.6
175.07513	9.3
175.09828	2.0
175.11304	8.4
175.14827	100.0
176.15215	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0755
Annotation	1,8-Dihydroxy-3-methylnaphthalene
Peak:m/z	Relative Intensity
50.88940	0.4
52.89562	0.4
53.03939	0.5
55.01874	0.6
55.05507	1.7
63.30188	0.4
67.05492	1.3
69.03428	1.5
69.07076	3.5
69.42938	3.0
73.47797	0.4
79.05503	4.5
81.07074	3.7
83.08625	0.7
88.50285	0.4
91.05492	13.6
93.07052	2.4
95.08618	2.2
98.20778	0.6
98.98482	4.2
103.05481	1.5
104.06251	1.0
105.03413	0.5
105.07037	12.5
107.04973	3.1
107.08601	1.8
115.05478	3.1
116.06253	0.6
117.07030	3.9
119.04944	0.4
119.08593	28.5
121.06547	1.0
121.10179	0.7
128.06239	7.5
129.07027	11.2
131.04968	1.9
131.08542	2.1
132.05731	7.4
133.06493	1.0
133.10144	17.0
142.07692	0.6
143.04968	0.5
144.05682	0.5
145.06467	1.9
145.10150	1.2
146.07227	1.0
147.08060	12.7
147.11716	3.8
148.08647	0.4
155.06079	1.2
157.06490	7.1
157.07747	0.5
157.10201	0.8
160.05220	20.8
160.08820	1.2
160.12505	1.0
161.06017	3.5
174.06764	0.9
175.07565	100.0
175.11069	6.9
175.14836	16.2
176.08107	3.3
189.59209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0756
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
51.02378	1.2
53.03941	2.7
55.01867	2.8
55.05503	4.4
55.16937	0.9
56.96562	3.3
57.07053	1.1
65.03931	1.9
67.05513	7.2
69.03415	2.0
69.07070	5.9
70.06593	2.2
70.10102	4.4
77.03922	1.3
79.05500	10.5
80.18855	1.1
81.07064	17.0
91.05489	86.0
92.05800	1.1
92.90047	1.4
93.07045	12.5
95.04950	1.3
95.08626	12.7
97.02880	2.0
98.20924	1.1
98.98473	51.4
103.05474	5.4
104.06225	1.8
105.07039	47.1
107.04967	3.0
107.08588	7.4
109.10174	1.9
115.05477	7.3
116.06264	13.1
117.07042	10.2
119.04957	3.2
119.08589	66.0
121.06509	58.9
121.10150	1.3
122.21951	1.1
124.50452	1.0
127.05404	1.5
128.06233	22.2
129.07016	82.1
130.07500	1.8
131.04938	1.9
131.08578	63.8
132.05737	5.5
133.06535	4.7
133.09120	2.2
133.10136	41.1
133.92850	1.6
142.07776	7.7
145.06502	9.5
145.10114	2.5
146.07205	2.3
147.04417	1.4
147.08052	31.8
147.11687	16.8
151.93880	1.7
153.05676	2.2
155.06058	3.2
157.06509	16.8
157.07727	2.1
157.09048	1.4
157.10130	9.2
160.05190	6.6
160.08836	4.8
162.06209	2.4
174.06879	1.1
175.07559	100.0
175.11180	31.5
175.14833	39.6
175.16028	0.6
176.07915	2.1
181.07083	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68452	0.4
51.90211	0.4
53.03920	0.4
55.05510	2.1
67.05509	1.6
69.03428	0.8
69.07076	3.2
70.06591	0.6
70.39944	0.3
70.68436	0.8
72.93777	0.5
79.05482	2.3
81.07056	4.6
83.08621	1.2
87.04505	0.5
91.05486	11.0
91.06024	0.8
93.07058	2.2
95.04983	0.4
95.08611	3.3
98.98469	17.1
101.35262	0.4
103.05466	1.7
104.06277	2.4
105.03389	1.0
105.07035	14.1
107.04942	1.0
107.08620	2.8
110.37285	0.4
115.05459	44.5
116.06302	3.1
117.07024	11.5
118.04182	0.5
119.04967	1.2
119.08588	27.1
121.06508	1.1
127.03962	0.5
128.06233	4.5
129.07010	6.6
131.04922	3.9
131.08574	3.2
132.05724	9.6
133.06519	2.1
133.10135	20.9
141.06975	0.4
142.04082	0.5
142.07779	2.2
143.04926	10.8
144.05704	11.8
145.06502	2.4
145.10136	1.8
146.07246	1.5
146.10931	0.6
147.04417	0.8
147.08058	7.8
147.11699	5.4
148.08391	0.5
155.06068	1.4
157.06447	1.2
157.10147	3.6
158.07256	0.6
159.04405	0.6
160.05205	75.4
160.08752	1.8
160.12456	0.5
161.05661	2.4
174.06885	0.4
175.07552	100.0
175.11134	14.9
175.14833	18.8
176.07977	2.7
176.15117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
53.37521	0.9
55.01881	7.8
55.05507	3.6
56.94288	1.3
56.96570	47.0
57.03441	15.6
58.99864	5.0
59.04946	1.2
59.44086	1.0
60.05654	33.8
60.95862	1.0
61.02929	5.6
65.03941	2.1
65.88058	1.0
67.05493	2.6
69.03434	16.4
69.07065	2.2
70.06597	100.0
70.98127	11.5
70.99860	4.2
71.01357	2.1
71.04992	5.7
71.49339	1.3
71.49722	1.0
72.00725	0.9
72.08157	9.7
72.93785	3.2
73.01418	4.0
73.02921	11.9
73.93826	1.0
74.06068	2.5
75.04464	3.0
77.00934	2.0
77.01610	1.4
78.35800	1.0
79.05500	1.3
81.03425	7.2
81.07060	1.7
82.11614	0.9
82.99834	3.1
83.04993	2.5
84.01551	1.5
84.08149	7.6
84.96017	1.8
85.01418	15.0
85.02899	14.5
86.03671	4.9
86.09710	1.7
87.04459	3.8
88.99159	4.7
89.00863	2.1
89.01639	1.6
90.94820	2.8
91.02475	9.2
91.05492	10.8
92.90089	3.0
93.52598	1.2
94.02705	1.0
95.03468	1.2
95.08624	1.6
97.00549	5.1
97.01390	2.8
97.02897	18.8
98.02199	2.5
98.97591	19.7
98.98469	68.3
99.04431	2.1
100.00113	3.3
100.02555	1.2
100.99096	1.1
101.00896	28.0
101.01575	1.7
102.00972	2.1
102.02455	1.3
102.53139	9.1
102.94842	1.3
103.00635	8.4
103.01316	1.9
103.02446	31.4
105.00343	1.4
105.04025	2.8
105.07027	4.5
106.01042	15.7
106.51207	1.4
107.04987	1.3
109.02812	5.6
109.03499	3.2
110.01408	2.0
110.02135	9.8
110.97562	7.5
111.02928	2.8
111.04455	2.9
111.53635	7.8
112.01852	1.4
112.07609	14.2
112.08740	3.9
113.00865	4.4
113.96434	1.4
114.05523	1.3
115.01627	1.9
115.02441	14.3
115.03220	2.0
115.03952	2.8
116.02161	4.6
116.07106	24.2
116.97248	8.5
116.98615	9.3
117.02151	1.2
117.02927	5.5
117.03975	1.3
117.07024	1.9
118.01095	3.0
119.01929	59.3
119.02644	2.8
119.04976	7.1
119.08583	7.0
120.00777	2.0
120.02094	3.7
121.01678	11.1
121.03517	9.0
121.53873	2.0
122.02115	3.7
123.02115	1.4
123.05087	1.8
123.53675	2.4
124.01879	6.1
125.01738	1.4
125.02654	2.5
127.01513	1.6
127.02399	3.9
127.03915	4.7
128.98613	7.6
129.02971	1.6
129.03929	2.4
129.07018	3.2
129.53629	2.0
130.01877	3.0
130.06537	2.0
130.08656	14.1
130.09773	12.5
131.01884	12.8
131.02704	1.9
131.99612	1.3
132.95834	8.3
133.01643	3.2
133.03481	74.7
133.10159	4.0
133.95956	2.1
134.03624	3.2
134.95923	2.3
134.99669	2.7
135.01241	1.3
135.03217	2.3
135.53622	2.5
137.02953	10.8
137.05960	1.4
138.00722	1.8
139.02480	2.4
142.07759	1.6
143.00163	1.7
143.01906	3.0
144.54185	1.9
145.02533	1.0
145.03479	26.0
145.07152	1.3
146.03651	1.8
146.99678	4.8
147.01297	12.2
147.03252	5.6
147.04433	17.9
147.08044	4.2
149.01199	1.7
149.02971	2.3
150.96892	6.5
151.04524	18.2
151.93867	2.6
151.96939	2.0
152.96924	3.2
155.01889	2.3
156.01865	5.0
156.03342	8.3
156.98033	3.0
157.03494	8.9
157.04726	1.7
158.09261	6.1
158.99641	3.1
159.01474	2.0
160.05191	3.3
161.02975	3.0
163.02756	2.5
163.04538	6.2
165.00763	1.4
165.04221	1.7
168.03424	2.3
171.01402	1.6
173.02951	2.5
174.04459	3.8
174.99217	9.8
175.04546	88.1
175.06012	3.4
175.07407	7.7
175.11998	17.8
175.14760	5.0
175.98538	3.0
176.04712	1.7
177.00900	1.9
177.02477	7.9
179.51897	1.3
186.02914	1.4
186.04381	10.0
187.02736	1.6
189.02437	2.8
193.00262	8.2
193.05612	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01868	0.6
55.05512	2.1
55.26479	0.4
57.07080	21.2
57.61293	0.4
58.06609	4.2
62.06095	17.5
66.81435	0.4
67.05489	1.1
68.76938	0.4
69.03383	0.5
69.07059	1.7
70.35672	0.6
71.08636	16.3
72.93797	0.5
74.51241	0.4
79.05495	0.9
81.07059	4.5
83.08598	0.5
91.05488	4.5
93.07035	1.7
95.08597	3.3
98.98475	6.8
105.07038	7.8
106.07351	0.5
107.08594	1.2
114.05548	1.0
115.05452	2.6
116.05791	0.8
117.07027	1.7
118.06577	0.6
119.08592	13.4
125.92071	0.4
128.06213	0.5
128.07115	0.6
129.07024	1.4
131.04956	0.8
131.08531	1.6
132.05716	1.4
132.08060	1.0
132.08960	1.2
133.06526	0.5
133.10135	9.4
142.07832	0.5
144.05737	0.6
144.08961	0.7
145.06458	1.2
145.10097	1.1
146.05937	1.1
146.10448	1.1
147.04439	0.5
147.08032	1.5
147.11685	2.0
150.96883	1.3
156.17497	13.7
157.10126	1.2
159.07869	0.6
159.11284	0.8
160.05212	5.8
160.08910	0.6
174.02679	2.3
174.05429	0.7
174.06752	2.4
174.08278	0.5
174.10075	0.8
174.13620	2.4
174.18550	100.0
175.07555	9.8
175.11201	4.5
175.14818	8.8
175.18892	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
55.05503	0.7
55.93497	0.5
56.96554	1.9
57.03434	0.9
58.99876	0.5
69.03423	0.9
69.91123	2.2
70.95871	8.5
72.93414	0.5
72.93798	9.1
73.06544	2.1
73.93818	0.7
82.99841	1.8
83.05003	0.6
84.08145	1.0
85.01434	1.1
88.96909	0.7
89.90176	0.5
90.94836	5.1
97.02869	0.6
97.03841	0.5
98.33016	0.5
98.97576	1.0
98.98460	2.9
100.02526	0.7
101.00885	18.0
102.00954	3.0
102.02244	0.8
103.02464	2.5
109.96073	0.5
111.98481	5.1
112.06100	0.6
113.96368	0.7
114.04043	11.8
114.94843	0.9
115.02429	2.1
119.01926	28.0
120.01999	7.2
121.01687	2.6
121.03499	1.1
128.07086	0.6
129.02734	2.2
129.49382	0.5
129.99487	1.9
131.01904	1.1
131.96159	1.1
132.02007	1.7
132.05080	45.9
132.94859	1.1
132.95839	20.9
133.01692	0.7
133.03497	6.7
133.05139	1.2
137.02965	4.9
138.03145	1.7
141.01167	0.5
145.03464	1.5
146.03644	0.9
147.03786	11.5
149.96132	1.3
149.97212	1.3
149.98438	0.6
150.03033	0.6
150.06133	15.4
150.96895	24.6
151.04520	2.2
155.97433	4.1
156.05051	13.6
157.03464	1.8
157.50977	0.5
160.05194	1.1
162.03238	0.7
164.04817	0.6
165.04832	1.9
167.97133	0.9
169.03474	2.4
173.98503	3.9
174.06133	100.0
174.12761	1.5
175.04526	10.1
175.06238	3.5
185.02986	0.7
192.07152	12.0
193.05647	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.1
55.01867	11.8
55.05508	9.5
56.05034	21.8
56.29585	3.3
56.96572	43.5
57.03445	22.0
58.06610	4.3
58.99890	4.1
59.04990	6.3
60.04534	30.9
60.05635	10.5
61.02922	8.4
64.57102	3.5
68.05017	4.3
69.03426	26.6
70.06605	30.5
70.95870	7.4
70.98123	7.0
70.99850	4.0
71.01344	4.9
71.04978	9.9
71.06128	5.5
71.49460	5.9
72.04504	5.0
72.08149	12.6
72.93790	9.9
73.02912	18.0
74.06082	8.1
79.05510	3.9
81.03410	10.9
81.07081	4.8
82.99837	8.6
83.04990	3.7
84.08157	19.2
84.96007	5.4
85.01419	20.1
85.02885	17.1
85.06522	3.7
86.06074	38.5
86.09690	3.7
87.04482	30.6
88.07616	9.1
89.00819	5.9
95.01318	3.5
95.04966	3.1
97.02895	18.7
98.09694	4.1
98.97602	34.4
99.04442	4.8
100.02554	3.7
100.07638	6.3
101.00893	74.2
102.00958	34.2
102.02394	6.8
102.05552	18.2
103.00638	13.9
103.02441	28.6
104.01299	4.2
106.01028	4.4
108.63775	3.3
109.02892	3.9
110.09699	5.2
110.97574	5.3
111.02965	5.7
111.98477	5.5
113.00867	8.1
114.00975	7.7
114.04053	6.9
114.05531	44.2
114.82597	3.2
115.02439	23.1
116.07103	6.8
116.98686	17.8
119.01938	100.0
120.02009	49.7
121.01677	17.3
121.03475	8.1
127.02406	8.4
127.03947	5.6
128.02377	3.5
128.07080	11.7
128.10696	6.9
128.98628	3.6
129.03990	5.3
130.08623	4.1
131.00211	3.5
131.01932	27.8
131.47513	3.2
131.96172	6.1
132.02052	15.6
132.05054	10.8
132.95821	19.3
133.01689	8.5
133.03487	93.4
133.05132	3.4
134.03581	23.9
137.02977	10.6
141.03960	3.9
142.03497	4.2
143.01930	12.5
144.02043	6.4
144.03302	5.3
145.03473	32.5
146.03642	7.2
146.04774	6.3
149.06662	4.1
150.06140	7.8
150.96899	16.3
151.04520	15.4
152.04752	5.2
153.04065	3.8
155.01917	10.4
156.05081	9.9
156.10207	31.4
157.03482	11.9
157.53503	3.6
161.02946	14.6
161.06638	7.6
162.03146	8.2
163.04538	7.7
169.03510	5.2
173.02988	8.5
174.03096	7.5
174.04539	6.7
174.06114	47.8
174.11220	11.2
174.12521	9.2
174.14912	12.2
175.04547	88.0
185.02991	10.3
185.06419	4.0
187.04457	4.4
192.07341	6.2
193.05478	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	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.02395	1.2
52.64434	0.7
53.03939	2.8
54.69604	0.8
55.05516	14.6
57.07076	1.9
59.05003	1.9
65.03947	1.2
67.05518	7.3
70.63271	2.5
72.93793	9.8
77.03933	3.3
78.38574	0.9
78.39828	1.0
79.05502	14.8
81.07060	13.7
83.04985	12.6
87.04460	1.4
89.03910	2.2
90.90363	2.1
90.94843	7.3
91.05487	34.2
93.07052	15.9
95.04939	0.8
95.08608	3.2
97.04131	0.9
99.04494	0.9
101.03918	1.0
101.06017	8.7
103.03312	1.2
103.05471	3.0
105.03397	1.5
105.07040	32.2
107.08612	3.8
111.04435	13.5
113.06027	1.4
113.96414	1.6
115.04691	1.2
115.05460	15.1
116.06271	5.0
117.03351	0.8
117.07027	41.8
117.47160	0.8
119.04960	1.3
119.08589	16.0
127.05453	1.1
127.07578	1.0
128.06241	6.4
129.04556	1.2
129.05455	3.4
129.07013	15.4
130.07817	9.9
131.04950	5.5
131.08577	100.0
131.49251	0.9
132.02116	0.9
133.10179	1.2
137.05962	1.0
143.08578	11.2
144.09363	6.1
145.06491	14.7
145.10133	60.8
146.10452	1.9
149.94110	1.3
149.96124	3.8
153.07025	1.7
155.05978	1.7
155.07050	9.1
155.08548	5.6
157.06487	1.0
158.07289	10.6
158.10916	10.9
167.97180	2.1
171.11694	1.8
173.02361	27.7
173.04521	2.9
173.05882	7.4
173.08194	11.0
173.09653	23.4
173.13277	93.0
174.13696	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03949	2.0
55.05512	5.6
57.07085	1.3
65.03957	0.9
67.05516	5.2
69.07071	1.1
70.91482	1.5
72.93791	2.0
76.63157	0.7
77.03908	1.0
79.05494	13.6
79.68262	0.6
81.07059	17.0
83.04989	2.3
90.94842	1.5
91.05486	32.2
93.07050	15.0
95.04950	1.2
95.08617	4.3
101.06039	2.7
103.05454	1.4
105.07033	30.4
106.07368	0.9
107.08580	3.9
111.04433	3.7
115.05481	4.4
115.06148	0.7
116.06253	3.8
117.07022	35.2
119.08582	14.3
119.09374	1.2
127.56005	0.6
128.06229	2.2
129.05510	1.1
129.07008	12.4
130.07828	4.9
131.08575	100.0
132.09283	2.0
142.07755	1.0
143.08566	10.3
144.09361	6.5
145.06503	1.5
145.10129	49.2
146.10432	1.2
149.93976	0.6
149.96173	0.7
155.07042	2.7
155.08446	1.5
158.07298	1.9
158.10924	12.0
165.60155	0.6
171.11688	1.7
173.02328	1.0
173.04529	1.0
173.08263	2.5
173.09677	3.6
173.13275	96.1
174.13623	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	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03956	1.1
55.05518	6.7
57.07077	1.6
59.05009	1.5
65.03942	0.5
65.30034	0.4
67.05499	3.2
69.07083	0.8
70.07076	1.8
72.93791	2.8
73.65251	0.6
76.02233	0.6
78.38121	0.5
79.05502	3.6
81.07059	3.4
83.05000	5.3
87.04485	0.6
90.90392	0.8
90.94865	1.5
91.05489	19.6
93.07054	2.9
95.08629	2.0
99.04449	0.6
101.06017	4.6
103.03307	0.8
103.05464	0.8
105.07043	14.4
107.08625	0.7
111.04454	7.9
113.06013	0.6
114.05473	0.6
115.05456	3.9
116.06270	2.5
116.48978	0.5
117.07027	18.6
117.07868	0.9
119.08593	8.7
127.05435	0.7
127.07552	0.8
127.08557	0.6
128.06255	1.8
129.05499	1.9
129.07013	10.6
130.07808	4.8
131.08582	100.0
132.08957	1.9
133.10158	1.2
133.47745	0.5
142.07867	0.7
143.08580	10.0
144.09375	5.1
145.06467	2.8
145.10139	30.2
146.10475	0.6
149.96121	0.8
155.03476	0.6
155.06091	0.5
155.07040	4.5
155.08557	2.2
158.07274	5.1
158.10938	8.9
159.11357	0.6
167.97134	0.6
171.11696	1.7
173.04469	1.7
173.05962	1.6
173.08195	7.0
173.09662	9.3
173.13281	81.1
174.13570	1.9
185.50316	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03945	1.6
55.05513	6.4
67.05495	3.7
70.62421	0.8
72.93778	5.9
79.05493	4.8
81.07065	6.8
81.76519	0.8
83.04984	5.5
88.65905	1.0
90.03982	0.7
90.94860	4.9
91.05487	19.7
91.13129	0.7
93.07036	2.0
95.08622	1.4
99.04408	1.0
101.06010	4.2
103.05484	1.2
105.06328	1.0
105.07029	19.1
107.08566	1.2
108.22330	0.9
111.04453	7.0
113.06001	0.9
115.05453	3.3
116.06270	4.7
117.07025	10.7
119.08584	15.0
127.07571	1.1
128.06235	3.5
129.05537	1.2
129.07014	15.8
130.07809	6.1
131.08577	95.7
132.08897	1.5
133.10126	3.3
142.07787	1.6
143.08571	36.8
144.09354	12.4
145.06512	1.1
145.10127	41.6
146.10507	1.0
149.96138	2.4
154.74297	0.9
155.07095	4.8
156.09341	2.1
157.10165	2.2
158.07274	2.7
158.10928	33.7
159.11189	1.1
167.97180	1.2
171.11745	1.7
173.08147	5.3
173.09691	3.8
173.13277	100.0
174.13623	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.02374	2.6
53.03936	2.3
55.01861	1.3
55.05275	0.9
55.05516	15.7
56.96559	1.2
59.04990	3.4
61.37643	0.8
65.16830	0.9
67.05501	4.0
67.54339	0.8
69.03439	1.8
70.81439	1.6
72.93793	12.4
75.02370	1.7
76.02195	1.0
77.03939	4.1
79.05488	2.2
81.07051	3.0
83.04986	15.9
85.02908	1.0
87.04476	1.2
89.02390	1.0
89.03906	6.2
90.90369	1.4
90.94840	10.2
91.05483	20.2
93.07080	1.2
95.04948	1.6
99.04461	1.1
101.03914	1.5
101.06020	12.0
103.03323	1.4
103.05464	2.7
105.03403	2.0
105.07035	16.2
111.04454	20.8
113.06025	2.2
113.96405	1.9
115.04700	1.5
115.05466	20.6
116.06300	4.4
117.03410	1.6
117.06233	1.7
117.07036	27.8
119.04967	2.0
119.08592	15.1
127.05415	0.9
127.07550	2.2
128.06215	4.4
129.03465	1.4
129.04503	4.8
129.05461	3.8
129.07024	13.8
130.07840	7.2
131.04929	2.2
131.08582	92.6
131.92993	1.0
132.08943	1.6
133.10144	1.9
142.07736	0.9
143.04944	1.0
143.08575	24.4
144.09360	9.0
145.02864	1.3
145.06503	28.5
145.10138	39.2
147.04498	1.0
149.96124	3.8
152.88518	0.8
153.07030	1.8
155.05998	3.3
155.07054	10.6
155.08571	6.4
156.09314	2.3
157.03955	2.3
157.10121	1.0
158.07294	13.9
158.10924	32.3
159.07605	0.9
167.97179	2.9
171.11700	2.7
173.02361	59.5
173.04529	2.0
173.05986	18.4
173.08171	17.5
173.09653	24.2
173.13275	100.0
174.02550	1.2
174.13577	2.8
174.18614	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	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03950	0.8
55.05513	5.8
57.03442	0.6
57.07087	1.7
59.05020	0.5
66.36346	0.4
66.97357	0.5
67.05511	3.4
67.27895	0.5
69.50372	2.9
72.93791	0.6
76.02238	0.8
79.05501	4.2
81.07073	4.2
83.04990	4.9
85.02925	0.5
87.04523	0.5
90.94833	0.7
91.05489	17.8
93.07062	3.4
95.08613	1.8
98.98478	3.7
99.04476	0.8
101.06064	2.6
103.03306	0.5
103.05486	0.6
105.07046	12.0
107.08610	1.1
111.04456	6.3
114.05585	0.6
115.05478	2.3
116.06253	2.4
117.07035	16.6
119.08601	4.7
128.06229	0.5
128.52234	0.4
129.05507	1.2
129.07011	6.7
130.07776	2.9
131.08582	100.0
132.08839	1.2
143.08562	3.5
144.09369	2.8
145.06493	1.6
145.10136	21.9
153.07024	0.5
155.07051	3.3
155.08467	1.1
158.07324	1.7
158.10921	3.2
171.11708	1.1
173.04593	0.7
173.05965	1.0
173.08214	4.1
173.09680	5.0
173.13278	69.7
174.13553	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43060	0.5
55.05518	3.4
56.96569	13.8
59.14779	0.4
61.07885	0.5
62.70374	0.5
64.06715	0.5
67.05513	2.4
70.60797	0.6
70.61126	1.0
72.04511	2.5
77.03973	0.5
79.05492	6.7
81.07076	1.9
83.08639	0.5
89.07160	1.4
91.05486	13.2
91.06024	0.9
93.07045	3.5
94.44074	0.5
95.08614	0.7
103.05482	1.3
105.04543	0.7
105.07036	14.5
115.05453	5.8
117.07013	4.7
119.08585	1.6
127.05453	1.1
128.06233	29.0
129.07011	57.6
130.07846	5.3
131.08563	2.5
133.10149	0.5
141.06993	14.9
142.07793	16.2
143.08569	69.7
144.08882	1.1
145.06535	1.1
147.11693	0.5
153.06979	0.7
154.07784	1.1
155.06033	2.2
155.08583	3.8
156.09358	44.2
157.09756	1.5
162.08804	0.6
169.10126	1.9
171.11694	100.0
172.12032	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	173.0963
Annotation	Palutropone
Peak:m/z	Relative Intensity
53.03949	1.8
55.01871	1.8
55.05513	10.2
59.05003	1.3
65.03933	1.1
67.05510	6.1
67.97070	0.7
69.03414	1.5
71.39207	1.5
72.93769	3.3
77.03931	1.9
79.05495	6.5
81.03432	1.2
81.07056	1.8
83.04984	9.1
87.04451	0.8
89.02393	0.8
89.03929	1.8
90.90386	1.3
90.94822	2.6
91.05489	32.3
91.96577	0.8
93.07093	1.1
95.04957	1.8
101.06007	5.4
103.03309	1.6
103.05465	6.1
103.81978	0.7
105.03400	1.2
105.04534	0.8
105.07040	34.4
106.07411	0.8
107.04948	2.6
111.04441	11.3
113.06052	1.2
115.05461	33.0
116.06265	6.5
117.07030	54.6
118.07351	1.1
119.08593	3.8
126.97421	0.7
127.05450	4.1
128.06235	15.8
129.05525	1.7
129.07031	23.4
129.22522	0.9
130.07793	27.3
131.04890	4.2
131.08580	19.4
131.92966	1.2
132.05727	1.5
141.06937	1.5
141.74167	0.8
143.08557	11.0
144.05762	5.0
144.09302	1.5
145.06496	51.1
145.10136	57.3
146.06903	1.1
146.10411	1.5
149.94052	0.9
149.96106	1.3
153.07018	6.0
154.07756	2.4
155.04926	1.5
155.06029	6.6
155.07059	6.0
155.08554	17.8
157.06491	3.2
158.07286	37.3
158.10927	3.9
159.07755	0.9
173.02359	2.6
173.04482	2.6
173.05984	23.9
173.08217	9.4
173.09631	100.0
173.13219	14.9
174.06667	1.1
174.09999	2.2
174.12621	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1169
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
53.03962	0.4
54.57848	0.3
55.01894	1.5
55.05515	4.9
57.03437	2.6
59.05013	0.6
67.05505	2.7
68.99796	0.5
69.03439	0.7
69.07072	4.9
69.67590	2.3
70.94282	0.9
71.05005	0.9
72.04521	6.0
72.04888	0.5
72.08170	0.8
79.05492	2.9
81.07050	1.9
83.04994	2.0
83.08620	3.7
85.02927	0.8
85.06609	0.5
89.07166	5.4
91.05486	1.9
93.07066	1.0
95.05012	2.5
95.08624	1.5
97.06530	1.9
99.08130	0.6
100.14566	0.4
105.07048	2.5
107.08608	1.7
109.06560	0.8
109.10165	5.0
111.04458	1.4
111.08070	2.0
115.05454	2.1
116.06205	0.4
123.11692	0.7
125.05931	0.7
125.09646	1.3
126.09191	0.5
127.11227	1.1
128.06232	13.7
129.07018	6.3
130.07797	1.1
131.08499	0.6
135.11707	0.5
139.03943	0.6
141.07004	20.6
142.07805	8.4
143.08572	28.3
144.05646	0.5
144.07956	0.5
144.08952	0.4
153.03760	0.4
153.07079	1.1
153.09125	0.8
153.12773	0.6
155.06064	0.9
155.08571	6.6
156.09360	100.0
157.09706	2.3
169.09982	0.4
171.02887	0.4
171.04338	0.6
171.08176	1.9
171.11700	55.9
171.14806	3.3
172.05235	0.6
172.12041	1.3
182.53091	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0806
Annotation	2-Hyroxybiphenyl
Peak:m/z	Relative Intensity
53.03946	0.4
55.01880	1.9
55.05525	0.4
65.03950	1.2
70.55383	1.2
72.04519	1.3
79.05488	0.4
83.08663	0.4
87.34488	0.3
88.96747	0.4
89.07164	0.9
91.05492	3.5
97.06517	0.4
103.05463	3.4
105.03397	1.1
105.07034	0.7
115.05465	15.6
117.07023	1.2
127.05433	2.1
128.06233	100.0
129.07060	6.5
131.04932	1.1
141.05984	0.7
141.07005	7.7
142.07837	3.5
143.04944	3.4
143.08572	40.7
144.08899	1.3
145.06476	4.6
152.06226	4.7
153.07016	4.9
155.04851	0.7
155.06044	7.9
155.08699	0.5
156.05704	1.1
156.09369	5.6
161.05936	0.4
169.06500	1.6
170.06960	1.1
171.04468	2.7
171.08061	60.4
171.11723	6.5
171.14951	0.6
172.08418	2.1
173.40855	0.4
179.06032	0.4
181.07742	0.3
189.05508	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1169
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
53.03946	1.0
55.05517	4.7
56.22063	0.7
56.96575	14.3
67.05508	2.5
68.79004	0.6
70.91821	1.9
72.04514	2.7
79.05499	5.5
81.07063	2.7
83.08627	0.7
89.07155	2.0
91.05493	12.6
93.07050	3.6
95.04966	1.1
95.08598	0.9
103.05483	1.0
105.07039	13.9
115.05480	5.4
117.07044	3.2
119.08615	1.7
128.05281	1.2
128.06239	31.6
129.07024	60.0
130.07851	5.5
131.08571	3.1
133.10115	0.9
141.07024	14.5
142.07800	15.5
143.08577	67.7
144.08916	1.9
145.06473	1.6
155.06042	2.5
155.08591	4.2
156.09370	49.8
162.08762	1.1
169.10190	1.4
171.11708	100.0
171.14859	2.0
172.12019	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	171.117
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
53.03949	1.5
55.05515	5.6
56.96568	4.6
65.03930	0.9
69.07061	0.9
71.29709	1.6
72.04520	11.6
73.02928	0.9
76.31764	0.6
79.05490	4.5
81.07037	1.2
83.08618	3.4
89.07159	7.1
91.05476	5.6
93.07018	1.2
95.04984	0.8
98.78549	0.7
103.05444	1.4
105.07036	8.2
112.17312	0.9
115.05462	6.0
117.07040	2.4
128.06232	50.9
129.07022	33.9
130.07838	5.6
131.08569	2.7
141.06998	29.1
142.07797	23.1
143.08568	90.2
144.08894	1.0
145.06454	2.0
152.06070	0.7
153.07008	1.3
155.06084	3.2
155.08545	6.9
156.09358	89.1
157.09726	2.8
160.04651	1.3
169.10156	1.7
171.08090	8.7
171.11700	100.0
172.12004	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	170.0813
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
53.03936	0.7
55.01866	2.3
55.05505	0.9
56.05038	1.5
56.96303	1.0
56.96569	14.7
57.03434	3.1
58.99858	0.6
61.02930	1.3
65.03916	0.9
67.05512	1.0
68.05012	0.8
68.98315	0.9
69.03417	2.3
69.92561	1.8
70.06586	1.0
70.53196	1.6
70.98128	3.4
70.99868	1.0
71.01359	0.8
71.05005	1.8
71.08381	0.6
71.65813	0.6
71.95263	1.0
72.08156	0.8
73.02910	1.6
79.05498	1.6
81.03425	2.1
81.05805	0.7
82.01453	5.4
82.06592	1.2
82.99835	1.0
84.08153	0.9
84.94905	3.2
84.96056	0.9
85.01424	5.8
85.02904	2.6
86.99349	0.8
88.99164	1.8
89.00806	1.4
90.01559	1.2
93.05829	0.9
93.06960	0.6
96.08147	3.4
97.02927	1.4
97.96855	1.3
98.01313	2.1
98.06047	1.9
98.97588	8.1
100.02481	6.7
101.00892	10.3
101.02625	0.7
102.02258	1.5
103.00639	1.0
103.02460	10.7
104.01308	0.9
106.06528	1.9
107.01803	0.8
109.01321	1.3
109.02922	1.2
110.01328	0.8
110.06031	1.4
110.07185	1.5
110.97604	5.7
110.99290	3.7
112.99127	1.0
113.00916	1.0
114.87740	0.7
115.02467	1.1
116.01305	0.8
116.03949	0.7
116.98627	2.2
117.02162	0.9
118.01070	1.9
118.03523	2.1
119.01926	13.5
120.02010	1.5
121.01630	1.5
121.02782	1.0
121.03506	2.7
122.06007	0.8
123.99095	1.2
124.07602	8.3
124.08506	1.0
125.01839	1.2
125.97495	1.6
126.04003	0.6
127.02451	0.8
128.95096	1.3
128.98621	7.5
129.00333	8.6
129.02061	0.8
129.03989	2.9
130.03885	0.7
131.01894	3.4
131.23322	0.8
131.53833	0.8
132.02025	1.1
133.01675	1.2
133.03503	1.5
134.06024	72.0
134.99657	0.9
135.06364	0.9
136.06200	1.6
137.02946	1.9
142.03485	3.8
142.08627	1.9
143.00134	1.1
144.00882	0.8
144.05043	0.9
145.01669	1.2
145.03479	1.8
146.03580	2.4
146.94922	1.2
146.97403	0.7
146.99731	3.6
147.01428	22.2
147.03125	4.7
147.05005	6.7
148.01511	1.1
152.01971	3.5
152.07079	100.0
153.01292	0.8
153.07439	1.9
157.03467	1.0
158.06638	1.1
158.99573	1.6
161.02980	0.9
164.95944	1.3
165.00729	1.4
165.02388	1.0
165.04274	1.1
165.06039	1.4
170.03015	15.4
170.04636	0.9
170.05019	0.7
170.06606	2.4
170.08142	16.3
170.09570	2.3
170.11710	1.3
170.99617	0.9
171.01569	1.1
171.03062	1.3
171.05148	1.5
176.07645	0.8
177.00735	0.7
188.07722	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1225
Annotation	8-Hydroxy-p-menth-6-en-2-one
Peak:m/z	Relative Intensity
51.27260	0.1
53.03956	0.2
53.96970	0.2
55.01866	0.5
55.05515	0.9
57.03430	0.3
57.07080	0.2
63.52611	0.2
64.04383	0.1
65.03930	0.3
67.05511	1.8
69.03421	0.4
69.07076	1.1
71.04995	0.4
71.33404	0.2
79.05493	1.4
81.03416	1.2
81.07062	4.4
83.04992	0.4
83.08627	0.3
85.06492	0.2
87.04465	0.3
91.05483	0.4
93.07046	1.3
95.04978	3.7
95.08601	1.8
97.06540	0.3
99.04469	0.7
99.08038	0.2
105.07027	0.8
107.08602	1.5
109.06523	100.0
109.10159	3.6
110.06842	1.7
110.10497	0.2
111.04433	0.2
111.08080	3.1
113.05991	0.4
121.10154	0.5
123.08076	1.2
123.11717	2.0
125.06030	0.2
126.03135	0.2
133.10123	0.6
141.05516	0.3
141.06990	0.7
151.03917	0.2
151.11179	3.4
152.07121	0.2
154.07800	0.7
169.04959	0.5
169.06352	0.3
169.07649	0.3
169.10181	0.7
169.12254	1.3
170.05820	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1225
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
50.29125	1.3
53.03944	1.8
54.20090	1.4
55.01877	34.1
55.05509	12.1
57.01988	1.3
57.03429	5.0
57.07070	10.5
59.04996	4.6
61.67769	1.3
65.03938	5.1
67.05510	46.7
69.03440	10.6
69.07074	32.2
69.72460	8.1
71.01352	1.3
71.05000	18.2
73.06554	1.9
75.30289	1.2
79.05499	14.1
81.03408	3.7
81.07063	96.7
82.06593	1.4
83.04982	3.5
83.08624	3.5
85.02908	19.0
85.06538	15.9
89.75202	1.3
91.05479	8.0
93.07040	8.8
95.04981	21.6
95.08617	32.0
97.06530	8.3
99.04465	26.7
99.08083	1.5
105.07018	9.7
107.08593	20.1
109.02869	3.4
109.06527	26.1
109.10164	68.0
110.10494	1.5
111.00797	1.7
111.04450	2.7
111.08076	14.1
113.06016	4.4
115.05458	2.3
121.10136	1.7
123.04388	1.9
123.08114	12.1
123.11714	100.0
124.07596	3.3
124.12042	1.5
125.09639	12.8
126.03127	2.9
127.11239	6.6
128.06174	1.4
129.07019	2.1
133.10150	6.4
141.05476	5.1
141.06993	11.6
151.03906	2.3
151.07565	1.9
151.11195	16.7
152.07130	3.4
153.07033	3.8
154.07764	17.9
169.04948	5.4
169.06483	4.6
169.07681	2.6
169.10136	20.4
169.12236	15.9
170.08226	1.5
170.09512	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
66.13448	0.4
67.05517	0.5
69.15230	1.6
69.15630	2.9
91.05477	2.2
98.21583	0.8
106.34595	0.5
115.05444	5.7
128.06232	7.3
129.07008	11.2
139.05446	0.4
139.59065	0.4
141.06995	42.1
142.07573	1.0
143.08530	0.7
152.06242	3.7
153.06995	25.6
154.07779	75.8
155.06116	0.5
155.08093	3.0
165.06956	0.8
167.08575	7.3
168.09247	1.3
169.06471	6.0
169.10129	100.0
170.10478	3.8
181.07585	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1225
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03949	4.3
55.01870	9.4
55.05515	18.4
55.42350	1.5
56.96559	4.0
57.03436	8.8
57.06837	1.1
57.07080	10.2
59.04995	2.8
60.32790	1.5
60.50370	1.5
65.03933	9.3
67.05507	100.0
69.03439	11.6
69.07073	26.3
70.06610	2.4
70.12091	3.6
71.04998	73.8
79.05494	37.2
79.05962	1.5
81.03416	14.4
81.07059	94.5
83.04988	13.4
83.08608	2.1
85.02901	2.7
85.06547	86.6
85.41489	1.5
85.64152	1.3
85.94604	1.4
86.06879	1.4
91.05486	42.4
93.03403	4.5
93.05789	1.5
93.07045	28.3
95.04979	20.0
95.08613	22.9
96.08151	2.5
97.02912	1.3
97.06528	15.0
99.04464	8.3
99.08103	3.0
100.36380	1.6
103.95641	1.8
105.07039	46.5
106.07381	1.3
107.08601	49.0
109.02888	45.2
109.06525	35.7
109.10162	57.1
111.00784	2.3
111.04443	8.6
111.08085	40.3
113.06025	4.3
115.05456	2.2
121.10140	5.0
123.04471	6.4
123.07300	2.1
123.08099	16.7
123.11716	20.9
124.07613	3.6
125.06003	3.7
125.09643	6.2
126.03145	14.0
127.03959	1.9
127.07565	3.3
127.11184	3.4
128.95052	2.0
131.08521	2.1
133.10130	50.5
141.05479	22.0
141.07028	7.1
142.08611	2.0
151.03912	4.9
151.07556	2.7
151.09970	2.6
151.11192	42.0
154.02548	2.2
154.07777	6.8
163.97697	1.4
169.04974	13.8
169.06454	3.6
169.07602	4.1
169.08723	2.9
169.10188	7.0
169.12215	16.0
170.08212	2.9
170.09663	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	169.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.14049	0.4
65.03949	0.4
65.92682	0.4
69.37318	0.4
81.07080	0.7
82.06545	0.5
85.06554	0.5
91.05500	2.5
98.21621	0.9
101.87178	0.4
115.05464	5.5
128.06227	7.8
129.07016	9.8
135.74086	0.4
141.07001	42.2
142.07426	0.8
143.08568	0.6
147.58026	0.4
152.06210	4.2
153.07007	24.2
154.07788	79.2
155.08139	2.1
160.10776	0.5
165.06993	0.6
167.08595	6.9
168.05768	0.4
168.09331	1.2
169.06490	7.2
169.10135	100.0
170.10544	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	169.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03984	0.8
55.01886	0.7
55.05529	2.0
55.93577	0.6
56.96583	1.6
57.03448	0.7
57.07077	1.1
64.52470	0.5
65.03962	1.1
67.05511	5.2
69.03465	0.6
69.07079	1.1
71.05013	1.7
71.51006	0.7
79.05518	2.0
81.03450	1.4
81.07063	7.0
82.74358	0.5
83.08643	0.7
85.02914	2.9
85.06555	1.1
91.05504	3.3
93.03437	0.6
93.07083	0.9
95.04999	1.8
95.08612	1.8
97.02901	0.6
97.06554	0.6
99.04459	3.3
105.07039	1.1
107.08628	1.2
109.02910	1.6
109.06549	2.1
109.10152	2.9
111.00803	0.5
111.04478	1.2
111.08091	1.8
113.00061	0.6
115.05469	5.4
123.04459	1.4
123.08064	1.3
123.11765	1.4
126.03151	0.8
127.11181	1.3
128.06233	10.2
128.07130	0.7
128.95125	1.2
129.07013	16.4
133.10201	0.8
141.05475	2.6
141.07002	28.5
142.07755	1.4
143.08583	1.0
146.96144	0.6
151.03922	0.9
151.11139	0.7
152.06198	6.4
152.07240	0.7
153.07002	39.0
154.07782	86.7
155.06035	0.7
155.08128	2.7
163.97804	0.9
165.07014	1.9
166.07764	1.0
167.08571	9.9
168.09331	2.0
168.99493	0.5
169.04941	3.4
169.06444	3.6
169.07693	2.4
169.10130	100.0
170.08160	1.1
170.10477	2.2
171.08145	0.5
181.07648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64579	0.4
53.03955	0.9
53.99329	0.4
55.01878	100.0
55.05520	2.7
56.02210	0.5
57.03445	1.1
65.03939	1.4
67.05514	11.3
69.03435	0.6
69.07075	28.1
69.62644	2.3
71.04994	1.2
72.08606	0.4
79.05502	8.3
81.03439	0.9
81.07060	8.1
91.05482	8.8
91.06010	0.5
93.07052	3.2
95.04981	3.1
95.08615	49.6
96.08953	0.6
97.06541	11.6
99.04482	1.7
103.05486	0.6
105.07040	10.7
105.07681	0.7
106.33646	0.5
107.04980	1.5
107.08603	9.7
109.02898	1.0
109.06528	16.5
109.07254	1.1
109.10195	2.1
111.04484	0.8
111.08125	1.0
119.06107	1.0
123.04510	0.6
123.08084	13.9
123.11752	1.7
127.07594	0.7
129.06961	0.5
133.06526	2.5
133.07442	0.5
141.05501	1.6
141.06995	2.9
151.07561	6.5
151.11211	0.5
152.07135	0.7
153.07018	1.1
154.07785	4.1
169.05081	1.7
169.06479	1.1
169.08681	4.9
169.10191	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	169.0861
Annotation	Methylhexahydrophthalic anhydride
Peak:m/z	Relative Intensity
50.16151	0.6
53.03951	1.4
53.53120	0.6
53.67447	0.6
54.25607	0.6
55.01876	100.0
55.05519	3.7
56.02217	1.4
56.42437	0.7
57.07082	2.2
65.03944	2.6
67.05509	16.2
69.03442	3.1
69.07072	31.8
71.05005	2.6
71.23703	1.0
79.05502	9.2
81.03438	1.5
81.07056	20.0
83.08612	1.0
85.06567	3.5
91.05480	8.4
93.07054	3.6
95.04956	4.8
95.08614	47.8
97.06538	12.4
99.04455	7.2
102.59983	0.7
105.07035	11.9
107.05000	1.6
107.08602	10.4
109.06522	17.2
109.10158	14.6
109.10832	1.2
111.04456	0.9
111.08076	3.6
115.05455	1.0
119.06110	1.0
123.08071	14.3
123.11712	17.3
124.07616	0.7
124.51080	0.6
125.09621	1.4
127.07578	1.0
127.11230	2.4
131.62979	0.8
133.06544	1.9
133.10129	1.2
141.05519	1.7
141.07042	3.4
151.07559	5.4
151.11208	3.2
153.07043	1.8
154.07765	5.6
169.05089	1.4
169.06462	1.4
169.08681	5.5
169.10216	9.2
169.12317	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	169.0862
Annotation	Methylhexahydrophthalic anhydride
Peak:m/z	Relative Intensity
53.05280	0.5
55.01878	100.0
55.05517	2.7
57.07082	1.1
64.76381	0.5
65.03946	1.4
67.05510	14.8
68.92642	0.5
69.03439	1.4
69.07074	28.8
69.48204	3.0
71.05022	1.3
76.13214	0.6
79.05498	7.9
79.55401	0.5
81.03442	1.1
81.07063	10.7
83.05050	0.5
85.06551	2.0
91.05482	8.2
93.07047	4.0
95.04999	2.6
95.08616	46.0
96.08956	1.0
97.06541	10.2
98.20772	1.1
98.93416	0.7
99.04446	2.7
103.05500	0.6
105.07041	11.2
107.04990	2.3
107.08603	8.9
109.02882	1.0
109.06528	14.9
109.07263	0.9
109.10165	4.5
111.04477	0.6
111.08129	2.1
119.06109	1.1
123.08073	13.5
123.11710	4.8
125.09641	0.6
127.07609	0.9
127.11204	1.0
127.64307	0.6
133.06558	2.3
141.07037	1.7
151.07555	6.0
154.07840	2.1
161.09720	0.7
161.30406	0.6
169.08693	5.0
169.10213	3.2
169.12302	1.3
182.90500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.086
Annotation	Methylhexahydrophthalic anhydride
Peak:m/z	Relative Intensity
50.22367	0.4
53.03948	0.9
55.01874	100.0
55.05518	2.2
56.02206	0.5
65.03935	1.9
67.05505	11.0
69.03431	0.5
69.07070	26.0
71.23766	0.7
71.24091	0.5
73.02881	0.5
79.05074	0.6
79.05495	7.1
80.76495	0.4
81.03420	1.0
81.07053	6.8
91.05482	7.2
93.03432	0.6
93.07041	2.2
95.04950	2.2
95.08611	46.8
96.08936	1.0
97.06532	11.0
99.04454	1.2
105.07027	11.4
107.04942	1.8
107.08601	9.2
109.02881	0.6
109.05809	0.9
109.06525	13.7
109.10143	1.1
111.04465	0.4
111.08089	0.5
115.05434	0.6
119.06059	0.8
123.08073	14.7
123.11697	1.3
127.07541	0.7
129.06934	0.5
133.06506	2.7
141.05428	0.5
141.06966	3.1
150.80893	0.4
151.07542	6.1
151.11156	0.5
153.06963	2.1
154.07787	6.8
155.08594	0.6
160.72685	0.4
167.08556	0.7
169.04918	0.9
169.06366	0.6
169.08600	5.3
169.10126	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	169.0498
Annotation	DHMAL
Peak:m/z	Relative Intensity
53.00289	0.7
53.03959	1.4
55.01876	3.0
55.05517	2.4
55.93533	1.7
56.96571	10.1
57.03442	1.6
65.03947	85.8
66.04291	1.4
67.05511	6.9
67.92509	1.9
68.05019	0.8
68.99815	0.7
69.03432	2.8
69.07073	1.9
69.61872	3.1
70.06599	2.0
70.98113	0.6
71.01372	0.6
71.05004	1.7
71.36848	0.6
72.93768	0.9
78.29167	0.6
79.05497	4.2
80.26895	0.5
81.03430	7.6
81.07078	6.0
82.06570	1.0
82.94858	3.1
83.04987	1.5
83.95217	0.6
84.04496	0.7
84.94891	0.8
84.96033	0.7
85.02912	2.2
85.06571	0.9
85.94620	1.9
91.05524	1.0
93.03416	44.2
93.07035	1.2
94.06571	0.7
95.04434	1.0
95.04974	6.4
95.06095	0.6
95.08620	4.4
96.08134	1.2
96.36435	0.6
97.02899	2.1
97.06538	2.1
98.06078	0.9
98.21150	2.1
98.97581	1.7
99.04467	2.6
99.08101	0.7
103.32928	0.5
103.95646	1.4
105.07057	1.8
107.04971	1.0
107.08610	1.7
108.02093	0.8
109.02235	1.1
109.02895	12.7
109.06528	4.7
109.10146	2.7
110.03677	14.5
110.06039	1.6
110.97613	0.8
111.00820	2.6
111.04453	100.0
111.08083	1.8
112.04804	1.3
113.03490	1.5
114.05514	0.5
116.98633	0.9
117.93552	1.1
118.94393	0.7
119.01832	1.6
121.02828	0.8
123.00803	0.7
123.04446	5.4
123.08073	3.9
123.11712	1.7
124.05336	0.7
124.07637	3.2
124.97791	1.2
125.06001	34.5
125.10797	0.9
125.38515	0.6
126.03158	3.8
126.05452	0.7
127.03944	2.5
128.95120	1.4
134.06013	3.1
137.02365	1.3
137.03459	1.0
138.02951	1.0
141.05487	10.0
141.07045	1.3
144.94766	0.8
145.96727	1.4
146.96210	1.1
146.97305	0.8
151.03926	22.4
151.05029	2.3
151.07542	1.9
151.11171	1.2
152.07108	4.5
152.10741	0.7
152.22385	0.6
154.07762	1.6
162.95892	1.2
163.96419	0.9
163.97713	4.1
169.04976	10.9
169.08621	2.0
169.10017	1.6
169.13435	1.2
170.08116	3.2
170.09593	1.5
181.98785	0.8
186.99065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.9644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.01872	1.3
56.96576	12.4
57.03422	3.6
57.77116	1.0
58.99837	1.0
59.58728	0.9
61.02924	1.6
62.09924	1.1
66.95119	1.0
67.05495	5.3
67.92518	55.0
68.98291	2.5
69.03433	5.3
69.07059	2.0
70.43280	1.2
70.98114	1.6
70.99876	1.3
71.04976	2.1
71.49479	1.5
73.02942	4.8
76.50372	1.0
79.05483	1.4
81.03418	3.6
82.01456	6.6
82.94852	98.3
84.01180	1.1
84.08136	1.0
84.96027	1.1
84.99582	2.6
85.01432	1.7
85.02898	4.3
85.93559	11.8
85.97292	1.4
88.99088	1.5
89.00755	1.1
94.02665	1.6
94.06127	1.2
94.06580	13.4
97.01394	2.4
97.02908	4.5
98.97596	5.6
99.01168	1.8
100.02471	8.0
100.95885	5.4
101.00895	9.7
102.00981	1.2
102.02308	2.0
103.00649	14.6
103.98337	4.1
104.00977	4.7
106.06553	5.9
107.04931	1.1
109.02896	3.5
110.01354	1.2
110.03702	2.2
113.00861	3.7
114.00982	1.5
115.00542	1.3
115.02468	7.4
116.98617	1.2
117.00237	1.3
117.02122	3.2
117.02920	2.3
117.04720	1.4
118.01093	1.2
118.03554	2.2
119.01933	9.7
119.03739	2.4
120.02019	1.6
121.01678	25.9
121.02374	1.2
121.99367	6.5
122.01982	9.1
122.06032	12.4
123.97466	53.0
126.93787	34.4
126.97044	1.8
127.02437	10.3
128.02545	1.4
128.98505	1.0
129.03894	1.5
131.01912	7.4
132.02011	2.4
133.01642	1.8
133.03482	6.1
135.03194	2.1
137.02892	1.2
138.04007	1.3
139.02693	3.5
140.00488	1.7
140.05673	1.2
142.03519	1.1
143.01910	4.4
143.05559	1.2
144.02184	2.0
144.03252	10.6
144.05052	1.7
144.94833	60.2
144.98068	3.5
144.99808	3.4
145.00946	5.8
145.03511	40.9
147.05029	3.6
150.05516	100.0
150.22414	1.0
155.01927	1.6
156.03357	1.4
157.03392	1.2
161.02931	2.6
161.06619	1.3
162.04456	1.4
162.06184	1.2
162.95894	52.9
163.02841	8.8
163.04575	4.5
167.96420	16.2
168.05092	7.0
168.06573	10.2
168.10149	1.9
173.02989	2.0
180.96967	1.2
185.02892	1.5
185.97517	9.9
186.06152	1.7
187.04541	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
50.34327	1.3
50.53244	1.5
53.00290	1.4
53.03932	4.7
54.96138	1.4
55.01861	2.0
55.05513	19.3
56.61231	1.3
57.03439	2.7
57.07069	4.3
59.04994	5.1
62.77081	1.5
65.03932	2.4
66.04691	1.5
67.05506	33.4
69.03419	5.6
69.07069	27.1
69.87994	7.9
71.04995	34.7
73.06552	12.6
77.03918	2.0
78.04716	8.8
79.05496	29.1
80.05820	1.9
81.03429	2.1
81.06592	2.5
81.07059	42.6
83.04991	7.1
83.08629	7.8
85.02945	1.5
85.06525	5.0
91.05482	15.9
93.07047	55.4
94.04182	1.5
94.07379	2.9
95.04963	11.3
95.08611	90.7
96.08831	1.7
97.06557	8.1
97.10136	1.8
103.05492	3.9
104.05806	13.7
105.04522	2.0
105.07034	8.9
106.04169	5.1
107.04993	7.7
107.07878	3.0
107.08596	53.0
108.05245	1.9
109.02856	1.5
109.06498	6.0
109.10162	21.4
111.08087	7.7
120.08112	16.1
121.02885	2.1
121.06557	11.0
121.08456	100.0
121.10146	36.5
123.04427	19.6
123.08064	4.9
123.11692	8.8
124.05230	4.2
125.06018	2.4
125.09642	5.2
131.08574	1.8
132.05266	2.6
135.04402	1.7
139.11148	1.9
145.75584	1.4
149.02330	2.4
149.06012	4.1
149.09633	6.3
149.13268	24.0
151.03900	3.7
152.06207	40.5
153.06804	1.5
155.06062	1.5
165.07004	13.5
166.07774	6.9
167.03391	2.5
167.07043	59.9
167.08568	52.4
167.10695	6.7
167.14301	12.4
169.06477	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	167.1433
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03952	5.9
55.01860	2.8
55.05513	42.3
56.96558	4.7
57.03434	7.2
57.07066	2.8
59.04992	2.4
65.03932	2.1
67.05510	43.0
69.03418	3.7
69.07072	100.0
70.30997	2.4
70.31406	2.5
71.04996	12.9
71.08600	1.4
78.04687	3.1
79.05495	36.1
81.03429	2.4
81.07063	75.2
83.04977	5.3
83.08623	81.5
85.06545	9.8
90.12750	1.3
91.05489	12.4
93.03393	1.6
93.07049	55.4
94.06564	1.4
95.04985	5.9
95.08621	19.3
97.06538	20.3
97.10155	5.0
98.98457	1.6
99.08082	4.5
102.86752	1.1
103.05413	1.6
105.04504	2.1
105.07015	5.9
106.04169	2.2
107.04951	3.1
107.08600	52.6
109.02890	1.4
109.06516	3.4
109.10180	6.7
111.04456	2.2
111.08086	23.6
121.01650	1.3
121.02888	2.1
121.06528	6.4
121.07648	1.1
121.08482	1.6
121.10150	28.1
123.04426	5.4
123.08054	2.0
123.11691	7.9
124.05196	3.1
125.05978	4.5
125.09622	5.1
131.08556	2.2
139.07547	2.2
139.11214	1.8
149.02357	4.4
149.05963	3.3
149.09618	6.4
149.13269	64.4
150.13568	1.9
151.03906	1.7
152.04936	2.4
152.06216	27.8
165.07016	12.5
166.07750	4.5
167.03394	3.4
167.07053	29.0
167.08578	36.4
167.10559	6.5
167.14326	60.7
168.10301	1.9
181.53531	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1433
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03960	7.2
55.01869	2.0
55.05516	17.7
57.03425	6.0
57.07067	5.0
58.07364	1.2
58.17818	1.2
59.05000	2.7
64.03262	1.3
65.03932	4.8
67.05180	2.3
67.05511	28.1
68.99782	1.5
69.03426	5.5
69.07082	20.5
69.35375	11.2
71.05000	24.9
73.06564	9.2
78.04723	12.2
79.05502	37.1
81.03404	1.6
81.07066	44.7
83.04983	5.0
83.08607	6.2
85.06524	3.2
91.05491	20.2
93.07054	100.0
94.04166	1.6
94.06538	1.4
94.07360	2.0
95.04980	12.3
95.08616	75.6
97.06542	14.9
97.10149	1.5
103.05418	2.0
105.03344	1.3
105.04515	2.8
105.07047	18.5
106.04165	8.0
107.04977	9.1
107.08603	50.8
108.08952	1.7
109.02896	1.8
109.06538	22.3
109.10174	16.5
111.04456	2.2
111.08093	16.5
119.08615	3.7
121.01674	2.0
121.02914	2.2
121.06522	6.9
121.08446	3.1
121.10154	95.8
122.03654	1.9
122.10509	3.4
123.04449	24.3
123.08088	7.0
123.11700	14.0
124.05222	7.3
125.06004	5.1
125.09630	7.1
131.08556	5.8
135.04390	2.4
137.05931	1.4
137.09608	1.8
139.07556	2.7
139.11197	6.4
149.02377	4.3
149.05992	4.3
149.09630	28.1
149.13272	18.2
150.05539	1.4
151.03935	3.9
152.04700	6.2
152.06206	3.9
165.06981	1.7
167.03458	2.9
167.07069	83.5
167.08583	7.0
167.10658	18.3
167.14323	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	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.3
55.01870	2.7
55.05515	27.1
57.03431	4.7
57.07075	4.7
59.05003	6.0
65.03943	3.7
67.05512	36.1
69.03426	7.7
69.07074	28.4
71.04573	3.1
71.05000	38.7
73.06562	17.1
78.04739	10.5
79.05501	45.6
81.03420	3.2
81.07061	45.3
83.04988	8.3
83.08626	8.6
91.05480	26.9
93.07053	88.6
93.07642	5.3
95.04964	9.8
95.08612	100.0
97.06545	20.4
105.03392	4.1
105.07040	14.2
106.04167	5.9
107.04942	6.8
107.08599	84.1
108.08924	2.5
109.06522	47.4
109.10178	18.8
111.08082	21.7
121.06516	5.3
121.09311	4.1
121.10156	43.9
121.33739	2.1
123.04450	17.0
123.08073	7.8
123.11705	9.3
124.05230	5.0
125.06020	4.4
125.09635	14.5
131.08578	7.7
149.09628	28.5
149.13254	26.7
151.03914	5.5
152.06230	5.4
167.03342	4.1
167.07077	69.9
167.08597	7.7
167.10675	16.1
167.14334	9.2
184.39644	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	167.1433
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
51.16729	1.4
53.00295	1.8
53.03938	3.9
53.72719	1.2
55.01864	1.5
55.05520	19.6
57.03436	2.1
57.07072	6.0
58.10403	1.4
59.05021	6.3
61.64043	1.2
67.05186	1.9
67.05512	31.7
67.22871	1.2
69.03423	4.6
69.06733	1.8
69.07072	22.8
70.70142	3.5
71.05001	35.4
73.06569	13.5
78.04698	7.6
79.05505	21.5
81.07069	40.0
83.04971	4.7
83.08611	5.3
85.06559	2.5
87.08115	1.8
91.05486	13.1
93.07051	55.0
94.27366	1.3
95.04971	5.6
95.08614	100.0
96.08944	2.1
97.06541	6.6
102.77351	1.2
105.07050	6.0
106.04165	4.4
107.04961	3.5
107.08601	49.6
109.06522	3.1
109.10164	20.5
111.08078	8.5
119.08593	2.1
121.06549	1.6
121.10159	36.5
122.03683	1.8
123.04441	11.9
123.08116	2.4
123.11728	8.6
124.05185	4.0
125.05991	3.7
125.09632	4.4
137.05988	1.6
149.09663	3.8
149.13271	24.6
150.16188	1.4
151.03966	2.8
152.04712	4.2
167.07063	39.8
167.10703	4.7
167.14349	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	167.1069
Annotation	(S)-(-)-Perillic acid
Peak:m/z	Relative Intensity
53.03959	4.1
53.54096	0.9
54.21976	0.7
55.01879	1.8
55.05514	12.4
55.13062	0.8
55.61397	0.8
57.07067	1.4
59.04999	2.7
62.54554	0.7
65.03940	1.8
67.05508	6.0
69.03431	2.7
69.07072	42.6
69.94185	3.7
70.29652	0.8
77.03925	1.0
78.04725	2.2
79.05495	21.5
81.03429	1.0
81.07061	15.3
83.04975	3.1
83.08620	3.5
91.05485	14.7
93.07050	85.9
94.07352	1.1
95.04970	3.6
95.08611	14.5
97.06533	8.5
97.10155	1.3
103.05515	0.9
105.04537	1.8
105.07039	23.6
107.04971	2.6
107.08591	5.9
109.06509	2.4
109.10170	1.5
111.08123	1.5
111.11745	7.2
114.13386	0.8
119.08586	5.0
121.01653	1.4
121.02897	0.8
121.06532	2.3
121.10153	100.0
122.10464	2.1
123.04435	3.6
123.08084	4.5
123.11728	1.7
124.05260	1.3
125.06026	1.2
125.09643	1.0
131.08560	1.6
133.07616	3.5
139.07567	1.0
139.11206	3.9
144.03242	1.0
149.02367	1.8
149.06004	1.3
149.09641	14.9
149.13333	1.3
150.05527	0.8
152.04906	1.3
152.06218	9.8
165.07040	4.2
166.07777	1.2
167.03474	1.8
167.07059	14.4
167.08591	12.2
167.10699	28.8
167.14372	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	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03960	2.9
55.01876	1.9
55.05509	4.4
57.03437	1.6
57.07074	1.4
59.04995	2.1
65.03942	1.4
67.05505	6.2
69.03426	2.2
69.07069	3.9
70.86767	1.3
71.04989	1.6
73.02916	1.6
73.58924	0.6
76.96992	0.5
77.03912	1.0
78.04720	4.1
79.05499	27.2
81.07059	32.2
83.05002	3.4
83.05392	0.6
83.08618	1.2
85.06538	0.7
87.04455	0.5
91.05490	11.3
93.03410	0.8
93.07048	55.3
94.07367	0.9
95.04979	3.8
95.08611	15.6
97.06535	7.4
103.05438	1.4
103.08925	0.7
105.04482	1.1
105.07033	14.3
106.04185	2.5
106.07864	0.7
107.04962	5.0
107.08600	17.5
109.02895	1.5
109.06534	7.7
109.10178	1.0
111.04424	2.1
111.08083	4.0
119.08575	2.8
121.02831	0.7
121.06518	4.1
121.10149	100.0
122.10495	2.1
123.04437	8.4
123.08085	3.5
123.11711	9.5
124.05192	2.8
125.05997	9.7
125.09652	2.1
131.08578	5.3
133.07587	2.7
135.04439	0.7
137.05914	0.5
137.09602	0.7
139.07591	0.9
139.11186	11.9
149.02353	1.0
149.06070	0.7
149.09627	13.9
149.13306	0.8
151.03929	1.6
152.04716	2.5
152.06081	0.6
155.22464	0.6
167.03468	1.0
167.07050	28.4
167.08424	1.4
167.10675	15.0
167.14297	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02358	1.0
53.03949	6.3
55.01870	4.8
55.05508	5.3
57.03434	1.1
57.07026	1.1
60.75257	1.1
65.03922	3.3
66.04710	1.2
67.05507	10.4
68.99783	1.2
69.03431	17.7
69.07060	3.6
70.10635	1.0
70.65411	2.3
70.65763	1.8
71.04975	1.0
77.03915	3.6
78.04716	19.5
79.05497	45.9
81.03436	1.7
81.07059	24.6
83.04977	3.1
83.08598	3.6
85.06581	1.0
91.05485	46.8
93.07047	93.5
94.04165	1.5
95.04960	9.8
95.08620	4.9
97.06522	3.1
103.05466	3.6
105.03391	1.5
105.04498	2.2
105.07040	30.2
106.04178	9.3
106.07874	1.6
107.04961	16.4
107.08600	87.2
109.02897	2.0
109.06526	43.4
109.10162	14.1
111.04447	1.6
111.08096	1.6
115.05451	1.8
116.06241	5.2
119.06091	1.5
119.08590	12.5
121.06523	18.4
121.10149	66.0
122.07296	13.0
122.10490	1.2
123.03578	2.0
123.04437	29.1
123.08075	8.9
124.05259	9.6
125.06004	1.9
125.09626	4.7
129.07014	2.4
131.08586	23.7
133.07616	2.7
134.03682	1.5
134.07278	1.5
135.04364	1.3
137.06023	1.4
137.09622	76.6
138.09941	1.8
139.07555	1.4
139.11206	1.7
147.09143	2.9
149.02339	1.6
149.05995	1.7
149.09634	26.7
151.03938	5.8
152.04706	8.9
167.07050	100.0
167.10680	17.1
168.07448	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0856
Annotation	Phenalene
Peak:m/z	Relative Intensity
53.03968	1.2
55.01889	0.4
55.05510	0.7
65.03958	1.6
67.01886	0.4
67.05515	1.1
69.07093	1.4
69.71543	2.2
78.04717	0.4
79.05521	1.3
81.07076	2.3
83.04953	0.5
85.06583	0.7
90.92561	0.4
91.05499	1.0
93.03433	1.1
93.07061	2.0
95.04959	0.5
95.08625	1.0
98.04113	0.4
102.70226	0.4
107.08620	1.8
111.04445	0.8
111.08105	0.7
115.05473	1.1
121.02892	1.0
121.06519	0.8
121.10168	1.8
123.04499	0.7
123.11728	1.3
124.05247	0.7
125.06037	0.7
128.06270	2.8
139.03897	0.5
139.07655	0.5
141.06978	2.7
149.02353	0.6
149.13268	0.5
151.05463	1.9
152.06224	89.8
153.06638	1.8
155.06056	0.6
165.07018	38.7
166.07802	14.2
167.08572	100.0
167.14336	2.0
168.05659	0.7
168.09102	2.6
169.06502	4.0
179.06029	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	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03945	5.1
55.01866	5.9
55.05511	5.1
57.03425	1.4
61.41721	1.4
65.03959	1.9
65.19260	1.3
67.05495	8.1
69.03435	12.6
69.07042	1.4
69.64583	3.7
69.65010	5.8
71.05021	1.6
77.03939	2.2
78.04716	1.7
79.05500	41.5
81.03429	2.0
81.07067	21.8
83.04974	2.0
85.51912	1.3
91.04909	2.6
91.05484	51.9
93.07050	100.0
95.04953	7.6
95.08615	4.5
103.05456	3.5
105.04530	3.1
105.07030	31.4
106.07842	2.7
107.04965	12.7
107.08602	94.3
109.06525	48.3
109.07269	2.2
109.10172	17.4
111.04437	3.2
111.08089	1.9
116.06235	6.3
117.07040	1.8
119.06113	2.8
119.08601	14.9
121.06514	19.4
121.10150	69.2
122.07298	12.0
122.10460	2.0
123.04453	2.9
123.08071	6.8
124.05229	1.8
125.09645	2.8
129.06992	3.1
131.08572	24.7
133.07608	3.2
137.09628	92.2
147.08069	2.1
147.09152	3.5
149.09631	28.5
167.07083	13.6
167.10666	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	167.0705
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02376	0.5
52.97145	0.4
53.03946	3.1
55.05478	0.6
65.03931	1.0
66.04716	1.8
67.05500	1.2
69.42696	0.5
69.77029	0.5
70.22959	2.1
77.03937	1.1
78.04717	17.1
79.05498	16.6
79.05874	0.3
79.05968	0.6
81.03414	0.7
81.07058	2.7
91.05507	2.4
93.03411	0.6
93.07051	1.3
94.04198	3.1
95.04986	4.9
96.05747	1.3
105.03386	2.0
105.04493	1.3
106.04183	9.0
107.04964	18.5
107.08576	1.4
109.02856	0.9
109.06517	1.3
110.76141	0.4
111.96626	0.6
120.02077	0.6
121.06483	1.1
121.10146	0.9
121.63068	0.4
122.03661	4.2
123.04438	27.8
124.05228	10.6
134.03653	2.2
135.04446	1.2
135.64278	0.5
137.02293	0.5
137.05980	1.7
149.02386	0.9
149.06073	0.9
150.03133	0.5
151.03902	6.1
152.04689	7.5
167.07053	100.0
168.07474	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03931	5.3
53.08355	1.0
55.01879	5.4
55.05296	1.2
55.05512	10.4
56.59985	1.0
56.96570	5.1
57.03437	7.0
57.07075	1.9
65.03954	5.2
66.95853	1.0
67.05509	44.4
69.03429	8.6
69.07073	13.8
71.04991	5.2
71.30116	1.6
71.30450	1.3
73.59274	1.0
75.57709	1.0
77.49100	1.0
79.05499	54.5
80.05785	0.9
81.03419	2.9
81.07064	100.0
82.07365	1.1
83.04977	10.5
83.08611	2.9
83.93042	1.5
85.06547	6.9
91.05488	78.3
93.03405	1.3
93.07049	51.0
94.04188	1.3
95.04977	48.8
95.08617	33.4
97.06543	13.2
101.00889	12.4
103.05477	2.2
105.04530	2.4
105.07038	81.5
106.07317	1.3
107.08598	28.5
109.06529	30.5
109.10136	7.3
114.79786	1.0
117.07041	4.5
119.01944	28.2
119.04939	21.1
119.08589	74.1
120.08092	4.2
120.08902	2.1
121.06505	2.6
121.10151	53.2
122.07281	1.3
122.10479	1.2
123.04427	6.0
123.08091	16.2
123.11721	8.8
124.02477	2.5
127.07612	1.3
135.08038	1.3
136.07584	2.7
137.03015	6.9
137.05983	19.6
137.06972	2.2
137.09622	8.7
137.13260	3.7
138.05504	1.1
142.03511	22.4
142.96703	3.6
143.99649	1.1
145.10201	1.4
147.04428	34.8
147.08095	5.8
147.11699	89.5
148.12090	1.3
160.04594	5.0
165.01854	2.5
165.05475	22.3
165.06999	15.0
165.09097	9.4
165.12767	97.7
166.04994	2.4
166.08681	5.7
166.13161	1.6
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	L-Phenylalanine
Peak:m/z	Relative Intensity
53.03928	0.3
56.75554	0.1
59.88099	0.1
61.79817	0.2
65.92624	0.2
70.74817	0.4
77.03936	0.2
79.05486	1.2
80.94944	0.4
89.50265	0.1
91.05503	0.9
93.07050	2.3
103.00623	0.1
103.05472	11.1
103.40675	0.1
107.04957	2.6
114.84348	0.1
119.07304	0.1
120.08108	100.0
121.08447	1.7
124.93924	0.2
131.04935	2.3
142.95018	0.2
149.05984	0.5
166.08615	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0864
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
53.03960	0.1
61.88021	0.1
69.31872	1.3
78.04715	0.2
79.05496	2.0
81.05312	0.1
81.07053	0.2
84.41497	0.1
91.05473	1.0
93.07047	2.8
94.07411	0.2
95.04975	0.2
95.08594	0.3
98.20705	0.3
103.05471	11.6
104.05836	0.3
107.04971	2.2
107.08589	0.2
119.07340	0.2
120.08112	100.0
121.06471	0.2
121.08459	2.0
121.10148	0.2
123.04515	0.2
131.04936	2.3
136.07587	0.3
142.96712	0.3
148.12062	0.2
149.05983	0.6
152.06198	0.3
165.07033	0.3
166.08650	1.8
167.07047	0.8
167.08466	0.3
176.75717	0.1
189.80719	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02368	0.8
51.08267	0.4
53.03949	2.4
55.01870	0.8
55.05500	1.2
65.03928	1.3
66.04717	1.9
67.05496	1.2
69.03416	0.9
69.07071	0.7
70.55009	1.1
77.03925	1.3
78.04277	1.0
78.04716	16.3
79.05498	19.6
80.05863	0.6
81.03423	0.8
81.07069	3.4
83.04971	1.4
91.05489	2.9
93.03420	0.9
93.07054	3.8
93.64906	0.5
94.04190	2.8
94.62331	0.4
95.04978	3.8
95.08609	1.3
96.05754	1.7
96.90059	0.4
97.02897	0.5
97.06516	1.0
98.97558	0.5
105.03414	1.6
105.04510	1.4
105.07023	1.1
106.04181	8.2
107.04963	17.5
107.08597	3.8
109.02882	1.7
109.06542	2.2
109.21694	0.5
109.48154	0.5
111.04443	0.7
111.08067	1.3
121.01669	0.6
121.06524	2.3
121.08527	0.5
121.10162	3.3
122.03649	2.5
123.04436	29.2
123.08062	1.4
124.05228	9.4
125.05993	1.4
125.09624	0.6
127.32462	0.4
131.08591	0.9
134.03645	2.5
135.04405	1.3
137.05974	1.6
139.07584	0.9
144.03232	0.8
149.02388	0.6
149.05965	0.8
149.09613	1.2
151.03917	6.3
152.04697	6.6
167.07051	100.0
167.10687	2.2
168.07504	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	165.1276
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
52.02932	0.5
53.03945	3.0
55.01878	3.0
55.05513	6.4
57.03443	6.4
57.07070	1.1
59.96902	0.5
65.03936	2.0
67.05509	39.1
69.03436	5.2
69.07067	9.2
70.34368	2.0
71.04993	2.9
77.03898	1.0
79.05498	38.2
81.03465	0.6
81.07060	75.5
82.07404	1.0
83.04987	9.6
83.08643	1.3
85.06546	6.1
91.05486	41.7
92.05791	1.2
93.07047	39.4
94.07359	1.0
95.04973	10.0
95.08611	21.6
97.06536	10.8
98.20713	0.5
99.08114	1.4
103.05480	1.5
105.07036	72.3
105.35747	0.6
106.07347	1.4
107.08601	21.5
109.06526	15.2
109.10151	5.9
117.07022	2.1
119.01943	1.0
119.04926	2.9
119.08586	53.6
120.08923	1.2
121.10149	61.4
122.07285	0.8
122.10507	1.1
123.02218	0.6
123.04455	0.5
123.08083	8.2
123.11704	8.1
127.07523	0.7
133.07654	0.6
137.05997	4.0
137.09602	4.4
137.13269	2.4
145.10110	1.7
147.04445	3.9
147.11693	100.0
148.12000	2.9
153.91057	0.6
165.05476	4.4
165.06995	7.4
165.09091	2.5
165.12759	91.5
166.13066	2.0
177.35135	0.5
184.84590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
51.02385	0.4
53.03954	0.4
55.05518	3.9
65.03947	0.5
67.05512	3.7
69.03437	0.9
69.07079	2.4
69.68149	1.8
71.05006	0.5
79.05499	3.4
81.03425	1.4
81.05796	0.3
81.07065	5.9
83.04977	0.8
83.08617	2.7
87.44186	0.3
90.08945	0.3
91.05486	5.4
93.07056	2.6
95.04977	100.0
95.08607	4.1
96.05327	1.9
97.06561	0.3
98.21530	0.4
101.00884	2.0
105.07037	5.0
107.08604	8.4
109.06525	19.8
109.10183	2.0
110.83617	0.4
117.07020	0.4
119.01930	3.1
119.04929	3.6
119.08578	5.3
120.08128	0.8
120.66746	0.4
121.06496	0.5
121.10155	2.4
123.04449	0.7
123.08066	1.0
123.11742	1.6
124.05234	0.3
135.03360	0.4
135.08032	0.4
137.03050	0.3
137.06017	3.0
137.09607	1.8
137.13295	1.6
142.03500	1.8
142.96671	0.8
147.04427	6.8
147.05539	0.6
147.08037	0.8
147.11702	7.7
160.04655	0.4
165.04626	0.4
165.05501	4.1
165.07004	1.9
165.09134	3.4
165.12766	46.1
166.08675	1.0
166.13103	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	3-(3,4-dihydroxyphenyl)prop-2-enal
Peak:m/z	Relative Intensity
51.02382	0.4
53.03952	2.0
55.01873	2.0
55.05507	0.6
57.03420	0.7
63.01836	0.4
63.66701	0.3
64.36140	0.5
65.03944	3.6
67.05508	5.8
67.66673	0.4
69.03423	1.0
69.07056	0.6
69.61134	2.0
69.61547	0.6
71.05013	0.4
76.57614	0.4
79.05501	9.7
81.03417	0.7
81.07061	15.9
83.05032	0.8
83.08627	0.4
91.05488	19.7
93.03389	0.5
93.07050	4.6
94.04180	1.3
95.04969	4.7
95.08591	2.1
97.06505	0.9
98.20819	0.4
101.00883	1.1
103.05535	0.4
105.04523	0.6
105.07041	4.4
107.04952	1.4
107.08604	2.1
109.02898	0.4
109.06524	13.3
109.10136	1.2
109.55093	0.4
111.04494	0.8
113.18616	0.4
118.79014	0.3
119.01927	1.7
119.04951	8.4
119.08590	6.3
120.08059	0.6
120.87815	0.5
121.06494	0.9
121.10161	3.7
123.04443	11.3
123.08082	1.3
123.11741	0.5
132.44862	0.5
135.04416	0.4
135.62790	0.4
137.05989	66.3
137.09589	2.2
138.06316	1.1
142.03523	1.3
147.04416	6.0
147.08093	0.9
147.11703	5.8
165.05501	100.0
165.07004	32.3
165.09004	3.8
165.12737	5.9
166.05966	1.8
166.07608	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	3-(3,4-dihydroxyphenyl)prop-2-enal
Peak:m/z	Relative Intensity
53.03941	0.9
54.18631	0.4
55.01873	0.9
65.03940	2.6
65.99857	0.4
67.05516	2.8
68.80336	0.5
70.90601	1.1
79.05500	6.4
80.52445	0.4
81.07063	10.3
91.05492	11.4
93.07066	0.7
94.04175	1.4
95.04978	2.4
105.07070	1.0
107.04970	1.2
107.08551	0.6
109.06532	12.0
119.04947	4.7
119.08615	1.1
121.06524	0.6
121.10124	0.6
123.04443	9.8
135.04424	0.5
137.05988	65.0
138.06326	1.6
142.03564	0.8
147.04430	1.6
147.11671	1.3
164.21997	0.4
165.05489	100.0
165.12804	1.7
166.05748	2.2
176.71259	0.4
183.38464	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	3-(3,4-dihydroxyphenyl)prop-2-enal
Peak:m/z	Relative Intensity
53.00302	0.2
53.03942	1.1
55.01868	1.4
55.05512	0.5
64.02641	0.2
65.03945	2.8
67.05175	0.3
67.05509	3.6
69.03414	0.4
69.07061	0.3
70.54704	0.5
77.03963	0.2
79.05496	7.8
81.03416	0.5
81.07059	10.0
81.66418	0.2
83.04994	0.5
91.05482	12.5
92.05831	0.2
93.03436	0.3
93.07059	1.1
94.04197	1.2
95.04970	3.5
95.08624	1.3
101.00896	0.5
103.05464	0.2
105.04476	0.4
105.07020	1.5
107.04945	1.1
107.08595	0.7
109.06521	11.6
109.10168	1.5
111.04464	0.9
117.07018	0.3
119.01917	1.4
119.04951	6.2
119.08593	1.8
120.08138	0.3
121.06470	0.5
121.10137	0.6
123.04433	11.9
123.08067	0.8
123.11703	0.3
133.02893	0.4
135.04416	0.3
137.05983	65.2
137.09489	1.1
138.06322	1.1
142.03493	0.5
147.04440	3.5
147.08078	0.5
147.11707	1.2
160.04587	0.3
165.05484	100.0
165.12697	1.6
166.05818	2.2
166.08707	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
70.66226	1.3
82.01453	1.3
82.99847	14.0
100.02477	1.1
100.83525	0.4
101.00887	83.2
102.01003	1.1
111.00410	0.9
119.01929	100.0
120.01988	3.4
121.02336	0.7
124.02460	12.9
137.02966	11.6
142.03508	68.1
143.03665	2.8
154.76500	0.5
160.04573	8.9
165.05197	1.1
174.48814	0.6
182.29239	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
65.14607	0.6
67.80356	0.5
70.92242	1.3
70.92576	0.6
72.54972	0.6
82.01436	0.7
82.99843	11.4
100.02488	0.7
101.00887	81.2
102.00964	1.9
111.00446	1.0
118.03545	0.9
119.01926	100.0
120.02061	2.0
124.02458	14.0
137.02963	10.8
142.03502	81.1
143.03639	1.6
160.04576	11.1
165.05157	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	3-(3,4-dihydroxyphenyl)prop-2-enal
Peak:m/z	Relative Intensity
51.02381	0.5
51.04296	0.3
52.46596	0.3
53.03955	1.6
55.01891	1.6
55.05506	0.8
57.03430	0.4
62.91865	0.3
65.03945	3.3
67.05175	0.5
67.05509	5.9
69.03421	1.3
69.07063	0.5
69.97283	1.2
77.03910	0.6
79.05504	10.7
81.03413	0.9
81.06590	0.8
81.07064	15.9
83.04983	1.0
91.05491	18.9
92.05830	0.4
93.07045	4.2
94.04182	1.3
95.04984	5.3
95.08623	2.9
97.06549	0.8
98.20833	0.6
101.00893	0.7
103.05489	0.6
105.03435	0.4
105.07035	5.5
107.04951	1.4
107.08608	2.5
108.05746	0.5
109.02914	0.4
109.06528	14.2
109.07272	0.8
109.10162	1.4
110.01779	0.3
110.90364	0.3
110.94846	0.3
111.04439	0.7
117.07023	0.5
119.01941	1.7
119.04953	8.8
119.08585	4.8
120.08147	0.4
121.06513	1.0
121.10162	3.7
122.07303	0.6
123.04439	10.4
123.08088	1.5
123.11736	0.7
135.04446	0.6
137.05991	67.4
137.09523	1.6
138.06354	1.0
142.03522	1.6
147.04416	5.4
147.08005	0.9
147.11691	5.6
147.12807	0.5
150.06767	0.4
165.05504	100.0
165.07011	33.2
165.09042	4.1
165.12755	5.8
166.05963	2.0
166.07706	2.8
183.31165	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86486	0.7
53.37350	0.7
56.05040	84.3
58.06594	2.6
59.02856	0.7
63.02710	1.8
63.92947	0.8
70.14793	2.5
70.15216	1.2
74.02448	27.3
74.05665	1.5
74.06086	30.1
76.01144	0.7
77.46681	0.7
78.95278	3.0
82.01436	1.0
82.99827	2.1
84.04514	13.3
85.02914	3.0
86.06072	7.2
100.02486	2.2
101.00893	12.5
102.05550	100.0
103.05900	0.8
104.07120	7.5
118.03562	0.9
119.01942	17.3
119.97927	1.7
124.02489	1.4
137.02948	2.0
140.95222	0.9
142.03517	12.6
146.08157	2.7
151.70418	0.7
158.96338	1.6
160.04604	2.2
164.09172	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22701	0.7
53.03946	0.7
55.01865	2.6
56.05041	86.1
56.96564	1.1
57.03440	5.2
58.06602	8.5
60.04525	1.5
61.01147	0.7
61.02917	0.8
63.02720	1.5
63.92948	13.2
68.05022	1.3
69.03436	2.8
69.35767	1.8
69.36179	3.8
70.02945	1.2
70.06591	3.9
71.01357	1.1
71.04996	4.1
72.04521	1.3
73.02920	2.8
73.04865	0.6
73.06561	2.3
74.02040	1.4
74.02446	26.8
74.05664	1.4
74.06084	27.5
75.04491	6.1
78.95282	26.2
79.05490	0.9
81.93981	1.6
82.01451	2.8
82.99842	5.6
83.84373	0.7
84.04516	12.3
84.08125	0.6
85.02911	4.9
86.06075	29.1
91.05497	1.9
95.04974	5.0
96.96308	1.6
97.02892	1.5
98.21129	2.6
98.52753	0.8
100.02494	4.5
100.43148	0.6
101.00203	1.3
101.00889	46.9
102.05550	100.0
102.09170	1.0
103.00665	0.7
103.05922	0.8
103.07624	1.0
104.01022	0.8
104.07110	27.8
105.96344	0.7
113.00905	1.3
113.03484	2.7
114.05550	1.1
115.02432	2.1
116.07096	0.9
118.01145	1.2
118.03483	1.8
118.06861	0.9
119.01930	72.1
119.04931	5.1
119.97905	14.6
120.02100	0.7
121.01678	1.8
122.02002	1.1
122.94226	6.2
123.04441	8.2
124.02455	6.9
124.03270	0.9
131.01936	3.9
133.03337	1.5
133.05055	1.0
136.07628	1.0
137.02972	10.5
140.95267	14.3
142.03510	50.5
143.01932	1.0
146.08131	7.4
146.11728	0.9
147.04337	0.8
152.03685	0.7
153.01468	1.2
158.96332	13.0
159.01427	2.1
159.03270	1.1
159.05064	1.3
160.04582	9.1
161.20711	0.6
163.96896	3.9
164.05768	1.0
164.07051	1.2
164.09267	4.6
171.02524	7.8
173.02328	1.0
181.97957	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	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02367	1.1
53.03948	11.2
55.01867	3.1
55.05512	10.0
56.96562	1.8
57.03422	0.7
57.07079	0.9
60.38115	0.8
61.99488	0.8
65.03938	2.0
67.05506	15.4
68.05848	0.8
69.03424	2.2
69.07068	13.2
70.95278	1.2
71.04938	0.9
73.27726	0.7
73.67798	0.7
77.03932	3.3
79.05495	40.7
80.05826	1.3
81.03406	2.7
81.07058	48.6
82.07386	1.5
83.04981	2.4
83.08616	6.6
89.03929	2.1
91.05484	20.9
92.02628	4.3
92.05801	1.1
93.07047	56.8
94.07320	1.0
95.04980	13.4
95.08610	32.2
97.10153	1.1
103.05468	4.5
105.03391	5.3
105.04493	5.1
105.07031	15.8
106.06577	1.5
106.07315	1.4
107.04958	9.4
107.08599	77.1
108.08925	1.4
109.06513	2.6
109.10159	2.0
115.05471	3.0
117.05736	0.8
117.07037	8.5
119.04909	1.4
119.08587	6.6
120.02080	1.9
121.06511	4.3
121.10146	29.5
130.06589	1.2
130.07805	3.1
131.04919	3.7
132.08109	2.1
133.02864	24.8
133.06487	0.8
133.10124	1.3
134.03214	0.7
135.04424	32.3
135.08055	15.4
135.11693	12.7
145.06461	1.9
145.10127	10.6
163.03912	100.0
163.07532	9.3
163.11177	20.9
163.12526	1.8
163.14841	40.9
164.04218	2.5
164.07011	1.7
164.15126	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.2
53.03752	0.8
53.03950	10.3
54.03477	77.7
54.22382	0.8
55.01863	2.6
55.03786	1.0
55.05515	9.3
56.05024	2.2
57.07072	1.1
62.40277	0.9
65.03955	1.0
65.93394	0.8
67.05510	11.9
68.05019	2.7
69.03428	1.2
69.06731	1.6
69.07075	21.4
69.83907	5.1
72.48943	1.0
77.03929	3.3
78.16891	0.9
79.05502	42.5
80.05018	3.2
81.04549	55.8
81.07065	45.7
82.05326	6.2
82.06584	1.9
83.04994	1.0
83.06107	1.0
83.08621	9.1
84.08142	1.5
84.37252	0.9
91.05483	18.7
92.02621	3.5
92.04961	0.9
93.07053	51.8
94.06592	1.1
95.04984	14.3
95.06101	7.0
95.08614	34.8
96.06882	2.7
97.07655	2.3
98.07188	1.9
103.05471	2.9
105.03408	8.3
105.04507	6.0
105.07047	12.3
106.06556	5.1
106.07246	1.5
107.04971	7.0
107.06083	1.8
107.08606	100.0
108.05611	1.2
108.08924	2.1
109.06524	2.4
109.07636	1.4
109.10169	2.8
110.07175	3.7
110.08345	0.8
115.05466	2.4
117.05775	4.6
117.07004	4.5
119.04922	1.3
119.06092	1.9
119.08580	3.5
120.02139	1.6
120.05582	2.6
120.08112	2.7
121.06494	4.2
121.07630	4.0
121.10157	36.8
121.11063	1.8
122.07169	37.6
123.07986	5.5
129.07045	1.1
130.06528	9.9
130.07825	1.5
131.04948	3.4
132.08089	12.5
133.01872	1.3
133.02864	23.5
133.06622	1.1
133.10152	2.4
135.04431	28.3
135.08069	7.8
135.11702	13.6
136.07674	1.8
136.08690	10.1
140.08209	6.0
145.02930	0.9
145.06459	1.8
145.10112	7.2
146.07100	2.6
148.07451	1.2
163.03923	87.7
163.07759	5.5
163.08710	2.3
163.09808	35.1
163.11179	16.3
163.12358	9.1
163.14842	45.9
164.04303	2.2
164.07013	4.3
164.11845	1.1
164.15283	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02372	2.1
53.03715	1.1
53.03952	11.9
54.03478	49.5
55.01880	0.9
55.05519	7.3
57.07065	1.3
58.53453	0.8
65.03923	2.2
67.05510	10.1
68.05011	0.9
69.06734	1.2
69.07076	18.0
71.08618	0.9
71.51391	0.8
75.33085	0.8
77.03924	2.9
79.05502	32.7
79.60069	0.9
80.05012	1.5
80.55594	0.8
81.03436	1.7
81.04549	31.9
81.07066	38.6
82.05328	3.2
82.06615	0.9
83.08630	8.3
85.11967	0.9
91.05487	10.9
92.02623	4.4
93.07052	41.6
94.06564	1.0
95.04980	12.6
95.06087	3.4
95.08618	30.7
97.07657	0.9
97.10229	0.9
98.07170	1.3
103.05485	4.1
104.93939	0.8
105.03433	6.2
105.04517	8.4
105.07033	8.2
106.06583	2.4
107.04977	6.1
107.08604	75.9
108.08949	1.2
109.06536	2.2
109.10140	1.9
110.07171	1.5
115.05468	1.6
117.05761	2.1
117.07045	2.8
119.04949	2.3
119.06052	1.8
119.08578	2.1
120.08057	1.5
121.06461	2.4
121.10155	33.7
122.07162	18.8
123.07973	2.2
130.06551	6.0
131.04927	2.9
132.08104	5.6
133.02870	30.1
133.10139	1.1
135.03407	1.8
135.04440	32.0
135.08096	2.7
135.11707	9.4
136.04765	1.1
136.08650	3.2
138.03122	1.4
140.08212	3.5
145.06558	1.4
145.10144	4.0
146.07106	1.4
158.53905	0.8
162.37898	0.9
163.03922	100.0
163.07607	4.5
163.08667	1.7
163.09810	12.9
163.11185	7.6
163.12369	4.3
163.14839	47.0
164.04295	3.6
164.07057	2.8
164.10652	1.4
164.11865	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02377	1.3
51.57060	0.6
53.03950	7.6
54.03474	100.0
55.01879	1.0
55.03815	1.3
55.05513	3.4
56.05045	2.9
57.07083	1.4
67.05509	2.5
68.05037	2.9
69.04562	0.6
69.06687	0.7
69.07073	13.4
70.83673	1.9
77.03944	2.0
79.05496	14.8
80.05029	1.4
81.03516	1.4
81.04544	59.2
81.07054	13.5
82.04901	1.2
82.05326	6.8
82.06599	1.5
83.06131	1.2
83.08624	2.7
84.08151	1.2
91.05494	7.4
92.02627	2.7
93.07047	18.8
94.06585	1.0
95.04974	10.0
95.06091	9.1
95.08613	11.8
95.09177	1.1
96.06899	1.3
97.07677	2.4
97.10155	0.7
98.07195	1.4
103.05464	3.0
105.03408	4.7
105.04509	6.3
105.07025	3.6
106.04108	0.7
106.06548	0.8
107.04960	4.8
107.06118	1.3
107.08598	42.5
108.05591	0.9
109.06497	1.1
109.07664	0.9
109.10151	1.3
110.07169	2.5
115.05441	0.9
117.05765	1.1
117.07020	1.7
118.06516	0.7
119.04961	1.2
119.06037	1.2
119.08545	1.6
120.05588	2.2
120.08109	0.8
121.06462	1.7
121.07655	3.4
121.10149	16.1
122.07160	40.5
123.05602	0.7
123.06721	0.7
123.07973	6.4
123.08786	0.7
123.09208	0.9
130.06517	2.6
131.04935	2.1
132.08098	2.1
133.02856	21.8
135.04416	22.2
135.05446	1.5
135.08099	3.5
135.08983	0.8
135.11678	7.8
136.07686	1.0
136.08691	6.0
138.03143	0.8
140.08199	6.0
145.06509	1.1
145.10118	1.7
146.07108	1.7
148.07431	1.1
163.03911	76.3
163.07695	4.1
163.08676	1.4
163.09813	31.5
163.11148	4.1
163.12387	2.8
163.14822	43.5
164.04274	1.5
164.07025	1.3
164.08220	0.9
164.10599	0.8
164.11864	0.7
164.15158	0.9
170.62152	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03943	7.6
54.03472	36.3
55.05511	9.6
56.82450	0.7
57.01433	0.8
57.07071	1.1
58.92949	0.8
65.03934	1.3
67.05504	9.8
69.07066	24.1
71.22748	0.8
71.23082	1.2
77.03925	2.2
79.05495	31.8
80.04987	0.9
81.03399	0.8
81.04100	1.5
81.04537	17.1
81.07057	48.4
82.05315	2.9
83.08623	10.1
91.04905	1.1
91.05478	14.0
92.02620	3.0
93.07045	50.7
95.04977	8.4
95.06090	2.6
95.08608	37.1
97.10152	0.8
105.03386	4.5
105.04514	3.4
105.07027	8.4
107.04958	3.0
107.08595	100.0
108.08887	1.9
109.06494	1.4
109.10139	2.2
115.05428	1.2
117.05694	1.6
117.07011	1.5
119.08578	2.4
120.08080	0.9
121.06426	0.8
121.07709	1.0
121.10145	33.4
122.07159	10.3
122.10537	0.8
123.07997	1.2
126.62975	0.7
130.06514	2.6
131.04897	1.1
132.08067	2.5
133.02861	15.8
133.10081	0.8
134.03159	0.9
135.03409	1.2
135.04419	20.0
135.08023	1.5
135.11699	13.0
136.07649	1.1
136.08684	1.4
138.40981	0.8
140.08171	1.7
145.10112	1.2
163.03909	58.8
163.07558	1.9
163.08636	2.2
163.09798	6.4
163.11166	5.2
163.12366	4.1
163.14824	61.0
164.04219	1.3
164.07008	1.4
164.15170	1.5
184.32771	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02374	1.9
53.03952	13.8
55.01864	4.5
55.05518	13.0
57.07072	2.4
57.35378	1.1
65.03944	3.1
67.05508	44.3
69.03419	1.8
69.07071	16.4
71.50721	1.0
77.03924	5.2
79.05496	100.0
81.03411	1.3
81.07059	63.4
83.04979	1.0
83.08616	9.8
91.05481	28.2
92.02621	3.2
93.07048	95.8
94.07365	2.0
95.04973	14.7
95.08612	62.6
97.10146	2.4
103.05470	4.0
105.03409	5.1
105.04512	7.2
105.07042	11.7
106.06596	1.5
107.04965	7.8
107.08598	86.9
108.08923	1.8
109.06555	2.3
109.10167	4.7
115.05451	4.6
117.05738	1.2
117.07023	9.1
119.04990	1.6
119.06071	1.5
119.08578	7.5
120.02132	1.0
120.08092	1.5
121.06500	3.9
121.10150	97.4
122.10459	2.9
130.06459	1.9
130.07777	1.3
131.04962	2.2
132.08047	2.1
133.02867	26.2
133.06660	1.1
133.10086	1.6
135.04424	24.6
135.08055	16.8
135.11696	13.9
143.08539	1.1
145.06447	1.6
145.10144	9.3
146.62885	0.9
163.03912	85.7
163.07547	10.2
163.08679	1.9
163.11182	23.3
163.12517	2.7
163.14828	71.2
164.04276	2.2
164.07039	1.5
164.15172	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02372	1.3
51.42604	0.7
53.03716	0.9
53.03949	11.6
55.01867	2.5
55.05514	12.3
57.03426	1.1
57.07080	1.6
61.02938	7.8
65.03934	2.1
67.05510	34.0
69.03426	2.4
69.07074	15.3
71.04979	0.8
71.51064	1.4
73.02918	3.6
77.03912	4.2
77.26984	0.8
79.05499	85.8
81.03407	2.5
81.07063	60.7
83.01354	1.2
83.08621	9.3
85.02914	5.6
91.03966	1.7
91.05489	31.9
92.02649	4.1
92.05824	0.8
93.07050	84.5
94.07380	1.4
95.04976	14.2
95.08614	56.6
97.02894	1.6
97.10180	1.9
102.69059	0.7
103.05486	4.0
105.03399	5.2
105.04526	5.2
105.07042	14.1
106.06561	1.0
107.04974	7.4
107.08601	80.2
108.08914	1.3
109.06509	2.9
109.10159	3.7
115.05468	6.6
117.07024	11.1
118.06496	1.2
119.04939	1.5
119.06101	1.6
119.08599	6.6
120.02077	1.1
121.06536	5.7
121.10151	88.6
122.10479	2.2
126.50156	0.8
130.06541	2.3
130.07774	2.6
131.04944	3.0
132.08093	3.2
133.02866	27.9
133.06493	0.8
133.10165	1.0
135.04428	26.0
135.05441	1.8
135.08061	31.9
135.11687	11.5
145.06500	3.7
145.10141	9.4
155.03734	0.8
163.03917	100.0
163.07547	18.0
163.08604	1.2
163.11183	24.6
163.12328	1.5
163.14830	61.0
164.04309	2.2
164.07092	1.2
164.15134	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02386	1.5
53.03949	10.0
55.01876	1.8
55.05519	9.0
57.07064	0.9
65.03954	1.6
67.05178	0.9
67.05513	10.4
68.99801	0.7
69.03445	0.8
69.07075	13.3
70.33814	0.6
71.04985	0.6
71.51270	0.6
77.03934	2.7
79.05501	41.8
81.03421	2.1
81.07065	61.2
82.07392	0.8
83.01360	0.7
83.08624	8.1
89.03920	2.5
91.04923	1.1
91.05489	19.2
92.02633	3.8
92.03126	0.7
93.07052	47.5
95.04979	11.1
95.08614	31.2
100.02458	0.8
103.05497	4.3
105.03435	4.8
105.04520	6.8
105.07043	10.4
106.06548	1.1
107.04972	7.8
107.08604	100.0
108.08935	2.1
109.06533	2.7
109.10165	2.6
115.05478	3.2
117.03394	2.2
117.05725	0.7
117.07041	6.6
119.04963	1.4
119.06099	1.8
119.08574	2.7
120.02132	0.7
121.06507	2.7
121.10156	25.9
122.10506	0.9
130.06540	1.2
130.07782	1.3
131.04942	3.2
132.08075	1.6
133.02864	24.5
134.03212	0.8
135.04430	29.2
135.08060	13.2
135.11720	9.9
136.04767	0.8
138.03140	1.1
145.02849	1.4
145.06525	1.5
145.10162	3.0
163.03922	90.2
163.07547	9.4
163.11172	8.6
163.12448	1.3
163.14835	52.2
164.04297	2.0
164.07097	1.1
164.15176	2.0
183.19638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03948	6.9
53.83985	0.8
55.01882	4.9
55.05516	9.1
65.03931	2.3
67.05506	4.7
69.03085	1.4
69.03434	18.0
69.07063	5.4
69.17445	2.8
69.17870	4.4
71.05000	4.4
77.03919	2.3
79.05502	27.6
81.03394	1.1
81.07062	19.3
83.04976	2.9
83.08591	1.1
89.03907	3.2
91.05489	31.4
93.03397	0.8
93.07051	66.8
95.04976	7.2
95.08631	4.0
100.23209	0.8
103.05475	85.7
104.05775	2.2
105.04518	2.7
105.07038	35.3
106.07373	1.1
107.04984	10.3
107.08602	62.2
108.08906	1.0
109.06505	5.2
115.05452	5.1
117.03371	2.0
117.07019	15.5
119.06080	1.7
119.08581	13.5
121.05671	1.1
121.06517	15.6
121.10154	24.8
127.07581	0.9
129.07016	2.2
130.07803	6.7
131.04938	99.0
132.05252	1.5
133.02863	3.6
133.06512	2.3
133.10178	1.0
134.03387	0.7
134.07237	1.1
135.04427	7.9
135.08069	21.2
135.11687	17.0
143.08549	2.3
145.02837	2.7
145.06493	2.0
145.10130	35.1
146.10641	0.7
147.07999	1.8
148.08823	3.9
163.03923	23.6
163.06134	1.5
163.07562	36.2
163.11192	100.0
163.14816	5.8
164.11543	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.9
53.03957	7.1
55.01880	3.5
55.05515	9.0
57.03438	1.0
57.07082	16.1
59.05008	0.6
64.02097	0.6
64.91496	0.6
65.03934	3.8
67.05502	2.8
68.99791	3.2
69.03423	3.7
69.07068	3.0
69.56221	4.5
74.03171	0.6
77.03928	2.6
79.05501	18.5
81.03417	1.0
81.07060	6.4
83.01328	1.6
83.04990	0.9
83.08611	1.4
89.03911	4.3
89.06039	9.5
91.05484	24.8
91.19650	0.6
92.02600	0.9
92.06306	0.6
93.03413	4.5
93.05807	1.4
93.07050	19.1
95.04964	7.8
95.08609	3.2
97.02914	1.1
98.21533	1.3
101.09666	0.9
102.04685	0.8
103.05477	93.8
104.05800	1.5
105.03400	2.5
105.04523	3.6
105.07041	12.3
106.06604	0.9
107.04962	36.2
107.07029	1.6
107.08604	29.5
108.04535	0.7
108.05262	0.9
108.08123	2.6
109.06536	2.2
115.05464	8.4
117.03394	3.1
117.07026	11.4
119.05010	1.5
119.06113	1.4
119.08598	4.3
120.02158	0.8
120.05742	2.7
121.02860	0.7
121.06518	5.9
121.10151	10.5
122.06015	0.9
123.62805	0.7
128.36180	0.7
129.07010	0.7
129.77071	0.6
130.06601	0.9
130.07784	2.5
131.04941	100.0
132.05261	2.4
132.08087	1.0
133.02879	5.9
133.06499	1.4
135.04431	15.1
135.08064	30.4
135.11708	5.1
136.07585	58.2
136.33835	0.8
140.07072	1.2
145.02859	2.4
145.06540	5.0
145.07582	1.1
145.10132	9.7
148.05208	2.9
150.65511	0.7
163.03922	35.0
163.07556	51.2
163.11183	21.5
163.12505	1.0
163.13686	0.5
163.14850	5.0
164.04292	0.9
164.06999	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	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02373	1.6
53.03952	7.5
55.01878	6.3
55.05525	6.0
56.05027	1.4
57.03424	1.0
65.03938	4.1
67.05508	7.0
68.99803	1.6
69.03072	1.7
69.03432	17.8
69.07059	5.5
70.42118	2.9
71.04980	3.3
77.03927	2.7
79.05501	37.8
81.03414	1.7
81.07060	21.9
83.01328	4.1
83.04984	2.1
83.08631	1.3
89.03925	12.6
91.05489	39.5
91.41171	1.2
92.02641	1.3
93.03387	3.2
93.07051	65.1
95.04976	11.9
95.08604	7.3
97.02881	1.7
102.05524	1.8
103.05476	76.4
104.05781	1.2
105.03423	1.8
105.04507	3.0
105.06319	1.7
105.07036	36.5
107.04961	22.4
107.05608	0.8
107.08602	80.5
108.08915	1.3
109.06515	5.9
115.05453	14.3
117.03387	10.9
117.07027	26.0
119.04935	2.6
119.06090	2.7
119.08582	13.3
120.05702	1.7
121.06497	15.5
121.10155	20.9
127.67640	1.0
129.06960	1.5
130.06657	2.0
130.07784	8.8
131.04936	84.5
132.02097	1.3
132.08115	2.1
133.02873	7.7
133.06563	2.3
135.04437	25.0
135.08064	67.1
135.11690	19.0
136.07559	7.4
136.08449	1.4
143.08475	1.2
145.02856	7.7
145.03857	1.5
145.06476	8.7
145.10132	33.8
147.08060	1.4
148.05180	4.1
148.08827	4.2
163.03922	67.9
163.07556	72.0
163.11185	100.0
163.14816	7.5
164.04272	2.0
164.07033	1.3
164.11594	1.6
172.45390	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	trans-2-Phenylcyclopropanecarboxylic acid
Peak:m/z	Relative Intensity
51.02388	1.2
53.03952	11.7
55.01872	3.3
55.05511	1.3
55.68359	0.6
57.03430	1.1
59.40139	0.6
63.02344	0.6
65.03959	4.5
67.01872	22.1
67.05521	1.8
68.99785	1.0
69.03422	1.5
69.07071	3.0
69.28327	6.3
71.04996	1.1
71.94353	0.6
77.03935	4.7
78.04722	0.7
79.05499	47.7
81.03433	2.3
81.07065	10.2
83.08599	1.2
89.03916	3.2
91.05488	75.5
92.02644	3.6
92.05817	1.7
93.03414	1.0
93.07049	14.9
93.26424	0.7
95.01337	5.8
95.04978	16.2
95.08614	3.6
103.05468	6.6
104.06261	1.2
104.14600	0.7
105.03440	4.2
105.04513	7.4
105.07037	9.7
107.04966	43.3
107.08607	30.8
108.05329	0.8
109.06519	2.6
114.81430	0.6
115.05471	25.7
115.06294	1.3
116.06290	0.9
117.03397	4.5
117.07028	100.0
118.07323	1.1
119.04956	1.7
119.05994	0.7
119.08594	29.9
120.02011	0.9
121.06494	4.7
121.10159	5.4
125.06002	1.1
130.06635	0.7
130.07788	1.1
131.04921	4.2
132.08104	1.3
133.02872	22.1
135.04431	61.7
135.08069	24.3
135.08897	0.6
135.09116	1.0
135.11723	2.3
136.04773	1.8
136.08408	1.0
145.02831	1.4
145.06490	15.0
145.10129	3.1
155.06015	0.8
163.03922	81.1
163.07559	41.0
163.11177	7.6
163.12379	1.0
163.14839	5.7
164.04279	1.6
164.08011	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	beta-Dolabrin
Peak:m/z	Relative Intensity
51.02365	1.3
53.03755	0.7
53.03951	8.7
54.68950	0.7
55.01873	7.0
55.05499	2.5
57.03416	1.7
58.60803	0.7
59.34984	0.7
62.12371	0.7
63.02354	1.3
65.03936	1.7
66.20742	0.6
67.05508	4.1
68.99784	1.5
69.03415	3.5
69.07063	3.7
69.40901	5.6
77.03922	4.1
79.05494	44.3
81.03412	1.4
81.07056	9.9
83.01318	1.5
83.08613	1.2
89.03922	24.5
91.05478	24.9
92.06273	1.0
93.03414	1.5
93.07050	15.4
94.68329	0.7
95.04962	10.8
95.08610	5.1
95.32285	0.7
103.05470	78.7
104.05759	2.1
105.03387	2.6
105.04538	4.3
105.07034	65.7
106.07339	1.8
107.04956	73.8
107.08595	35.2
109.06509	2.8
115.05451	7.7
117.03383	16.5
117.07012	9.9
117.07763	1.0
119.04956	1.1
119.06061	1.8
119.08590	4.3
120.02060	1.0
120.05740	9.2
120.71492	0.7
121.02884	0.8
121.06509	7.9
121.10149	8.5
123.04413	1.8
130.06525	1.1
130.07793	1.6
131.04932	38.9
132.02051	2.0
132.05698	1.2
132.08073	1.2
133.02859	4.4
133.06468	2.7
135.04428	27.1
135.08057	91.9
135.11673	3.4
136.04814	0.7
136.08401	2.5
145.02844	11.6
145.03963	4.0
145.06497	3.0
145.10127	7.0
146.49937	0.7
148.05203	5.9
148.08781	2.0
150.03101	0.8
151.07487	1.9
161.05974	1.1
163.03908	65.3
163.07545	100.0
163.11176	21.8
163.14803	8.0
164.04250	1.7
164.07962	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02381	0.6
53.03948	1.7
55.05511	1.0
67.05511	1.2
68.30092	0.5
69.03429	1.5
70.52889	1.0
70.53258	1.0
77.03928	1.0
79.05498	4.7
81.07055	1.3
82.41467	0.5
83.01330	0.6
89.03911	1.1
91.05483	5.4
93.07046	5.0
95.04949	1.4
95.08585	1.0
103.05472	77.3
104.05794	1.2
105.03461	0.6
105.07050	3.4
107.04950	4.7
107.08591	8.8
109.06483	1.1
115.05427	2.9
117.03369	1.3
117.07042	4.6
119.04966	0.9
119.08610	1.0
121.06540	2.7
121.10165	2.2
130.06566	0.6
130.07776	0.5
131.04936	100.0
132.05264	1.9
133.02861	1.5
135.04434	3.6
135.08066	12.7
135.11691	1.3
145.06474	1.6
145.10175	2.6
148.05148	0.7
163.03923	10.3
163.07555	46.9
163.11180	6.9
163.12369	1.1
163.14838	0.9
164.08026	1.3
177.18564	0.5
181.87889	0.6
182.15759	0.5
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
51.02372	0.4
53.03948	1.7
55.01871	0.9
55.05513	1.2
66.14517	0.3
67.05508	1.1
69.03430	2.0
69.07073	1.0
70.84646	1.1
77.03947	1.0
79.05495	4.5
81.07062	2.7
83.04994	0.3
88.10899	0.3
89.03909	1.7
91.05486	4.2
92.02591	0.4
93.07046	7.4
95.04991	1.5
95.08654	0.7
102.04713	0.5
103.05472	80.2
104.05807	1.2
105.04524	0.7
105.07029	4.3
107.04962	3.7
107.08602	9.0
109.06509	0.7
115.05453	1.4
117.03375	1.4
117.07017	3.2
119.08589	2.0
121.06489	1.9
121.10148	3.3
122.23309	0.3
130.07811	0.9
131.04935	100.0
132.02092	0.3
132.05219	2.5
133.02863	1.1
135.04419	3.1
135.08066	5.3
135.11652	2.6
145.02853	1.4
145.06453	0.7
145.10132	4.6
148.05147	0.6
148.08806	0.5
148.85764	0.4
163.03928	9.1
163.07547	39.9
163.11183	10.8
163.12500	0.7
163.14790	1.4
164.07927	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.59044	0.9
51.02374	1.3
53.03952	6.7
55.01858	4.3
55.05515	5.3
55.47760	1.0
57.03423	0.9
63.02367	1.2
65.03930	3.0
67.05513	6.8
69.03424	3.7
69.07070	8.3
70.19144	3.9
77.03915	3.0
79.05501	37.6
81.03430	1.4
81.07066	32.8
83.01332	1.0
83.08627	3.9
89.03923	16.5
91.05482	22.5
92.06284	1.9
93.03396	1.5
93.07050	26.2
95.04955	8.7
95.08617	14.7
103.01854	1.9
103.05476	100.0
105.03407	2.4
105.04515	4.0
105.07042	40.1
106.20886	1.0
107.04221	1.1
107.04961	31.6
107.08604	65.3
109.06508	1.9
109.10084	1.0
115.05445	6.6
117.03406	14.3
117.07054	6.2
119.04958	1.7
119.08598	4.0
120.05746	6.5
121.02856	1.7
121.06531	8.3
121.10156	15.0
130.07800	1.7
131.04941	59.5
132.02031	2.7
132.05634	1.5
133.02834	6.6
133.06509	1.7
135.04436	27.1
135.08063	46.4
135.11653	6.8
145.02850	11.4
145.06506	3.6
145.07571	1.4
145.10120	9.0
148.05209	3.0
148.08815	2.2
149.02361	9.8
163.03918	62.2
163.07556	43.4
163.11201	25.0
163.14841	23.1
163.16124	2.1
164.04446	3.1
164.07997	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	beta-Dolabrin
Peak:m/z	Relative Intensity
52.52612	0.4
53.03957	0.8
55.05502	0.4
55.31279	0.4
57.03453	0.5
60.95551	0.3
65.03943	1.2
67.05503	0.8
69.03436	2.0
70.94469	0.9
71.08639	0.4
77.03957	0.4
78.95292	0.4
79.05500	7.1
81.07049	1.0
83.01343	0.8
89.03917	5.7
91.05485	17.1
93.07043	2.5
95.04970	1.1
95.08549	0.4
103.05475	21.9
105.04509	0.6
105.07036	7.1
106.04203	0.4
107.04964	7.2
107.08601	23.2
109.06545	3.0
115.05465	15.0
115.06283	0.7
116.06268	0.8
117.03383	4.5
117.07025	19.4
119.06066	1.9
119.08546	0.7
120.05714	0.6
121.06542	1.5
121.10164	1.1
130.07797	0.4
131.04933	22.0
132.05261	0.5
133.02885	0.7
133.06485	0.9
135.04442	9.1
135.08060	100.0
136.07523	0.4
136.08423	2.0
145.02846	3.4
145.06491	9.3
145.10109	1.1
148.05182	1.7
155.06041	1.4
163.03928	12.6
163.07552	50.4
163.11142	5.1
163.14870	0.6
164.04265	0.4
164.07904	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03946	2.6
55.01871	2.9
55.05508	5.9
62.03925	0.6
63.02380	0.8
65.03920	0.8
67.05499	2.2
69.03429	0.8
69.07076	6.0
69.65913	3.9
69.92508	0.7
79.05068	1.3
79.05501	15.8
81.07063	10.3
86.21559	0.7
90.04706	1.5
91.04903	1.0
91.05484	16.0
93.07041	6.3
94.09295	0.6
95.04958	2.4
95.08591	1.0
103.05472	14.1
104.06203	0.9
105.07036	100.0
106.07376	2.0
107.08592	2.2
115.05466	15.5
117.07036	5.3
118.04179	11.9
119.08587	81.4
120.08926	1.2
121.06488	0.8
121.10152	2.7
127.60773	0.7
128.06226	1.0
131.04922	4.3
131.08583	5.7
132.05696	0.8
132.09329	1.6
133.06503	21.4
133.10139	29.9
143.06093	3.4
143.08571	0.9
145.10156	1.0
146.03636	21.7
146.07248	2.9
146.10909	1.9
155.91827	0.7
159.11691	2.1
161.05988	33.8
161.09637	14.6
161.13266	50.6
162.05423	1.0
162.13629	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.02389	1.1
53.03950	4.1
55.01867	1.4
63.02380	2.7
63.43728	0.7
65.03933	1.0
69.03426	1.2
69.87033	0.7
70.93005	0.9
70.93341	1.4
77.03921	1.9
78.95272	0.7
79.05499	15.1
81.07050	1.6
89.03922	78.2
91.05486	9.1
91.06020	1.2
93.07033	2.0
95.04964	2.7
103.05472	55.1
105.04544	1.0
105.07027	4.5
107.04955	18.5
107.08599	9.6
108.31664	0.8
109.06522	1.2
115.05457	5.2
117.03385	71.9
117.07020	9.7
118.03722	1.3
119.04961	0.8
119.06053	0.8
120.05772	0.8
121.06525	2.5
121.10146	1.6
130.07797	1.1
131.04936	52.6
132.05205	1.0
133.02872	2.5
135.04420	100.0
135.08058	35.0
135.08899	0.9
135.11768	1.0
136.04706	1.7
138.12996	0.7
145.02858	44.3
145.03903	2.5
145.06512	3.5
145.10153	3.2
146.03178	1.5
148.05197	1.1
155.06224	0.8
163.03914	85.9
163.07545	31.6
163.11169	6.1
163.12398	0.9
164.04263	1.5
164.08064	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	beta-Dolabrin
Peak:m/z	Relative Intensity
51.51725	0.4
53.03944	1.5
55.01863	1.0
55.05512	0.6
55.76640	0.4
65.03934	1.3
67.05506	1.5
69.03419	2.0
69.07075	0.8
70.39005	1.2
77.03919	0.7
79.05494	8.7
81.03415	0.5
81.07053	1.5
83.01314	1.0
89.03881	0.7
91.05484	19.8
93.07046	4.7
95.04965	1.6
95.08591	0.8
103.05468	19.9
105.03400	0.6
105.04517	0.7
105.07027	9.2
107.04959	8.4
107.08595	27.7
109.06511	2.8
115.05459	15.5
116.06277	0.7
117.03378	0.9
117.07017	20.2
119.04949	0.5
119.06069	2.1
119.08608	0.7
120.05725	0.8
121.06504	2.7
121.10140	3.5
130.07689	0.4
131.04936	20.6
132.05251	0.7
133.02840	1.9
133.06468	1.0
135.04480	2.7
135.08057	100.0
135.11644	3.3
136.07498	0.7
136.08406	1.9
137.76808	0.4
145.02852	0.6
145.06482	8.8
145.10127	2.3
148.05220	2.4
155.06081	1.3
163.03912	9.0
163.07549	49.2
163.11171	7.3
163.14844	1.2
164.07895	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03948	2.5
55.01861	0.6
55.05521	6.7
65.03953	1.3
67.05514	10.2
68.05031	1.1
69.03400	0.7
69.07081	7.9
69.15914	4.4
69.16338	2.1
70.63366	0.5
77.03921	0.7
79.03017	0.8
79.05499	19.1
81.04561	0.6
81.07068	41.0
82.07442	0.7
87.85329	0.7
91.05495	42.6
92.05865	1.1
93.04547	2.3
93.07054	25.8
95.04985	2.2
95.06107	0.6
95.08619	6.9
98.20702	1.4
103.05460	3.6
105.04557	1.6
105.07043	100.0
106.07366	2.1
107.06129	1.4
107.08607	6.3
113.02359	0.6
115.05482	1.5
115.09503	1.3
117.07028	6.4
118.04233	0.7
119.08596	81.5
120.05608	5.2
120.09411	0.8
121.06413	8.0
123.12629	0.6
128.06233	2.2
131.08569	4.6
132.09364	1.5
133.06511	2.9
133.10155	35.4
134.07172	3.7
138.06668	1.1
143.08594	3.5
146.07269	2.2
146.10799	1.5
147.11624	0.7
159.11766	2.0
161.06186	3.0
161.07121	1.7
161.08257	10.0
161.09657	13.7
161.13280	65.5
162.05457	1.2
162.09076	0.8
162.13654	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50693	0.3
53.03942	0.8
55.05517	1.6
67.04763	0.3
67.05511	1.6
69.07060	1.6
78.93118	0.5
79.05508	4.9
81.07061	9.5
91.05490	9.5
93.07056	5.5
95.04958	0.4
95.08608	0.7
103.05482	2.3
105.07037	100.0
106.07372	1.4
107.04948	0.6
107.08617	0.9
115.05455	1.0
117.07020	2.5
119.08588	34.5
120.08921	0.5
121.06506	2.6
121.10123	0.4
128.06226	1.1
131.04953	0.8
131.08607	2.1
132.09306	0.8
133.06509	1.7
133.10138	16.1
143.08588	1.2
145.06482	0.5
146.07265	5.2
159.11679	1.0
161.05997	3.5
161.07291	0.5
161.09631	22.5
161.13263	23.2
162.05394	0.4
162.10033	0.6
162.13615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.46067	0.5
53.03952	1.5
54.57011	0.5
55.05511	3.6
61.30479	0.6
62.19819	0.6
65.03968	0.7
67.05515	8.5
69.07079	5.2
69.16084	1.9
69.16502	3.9
79.05494	6.9
81.07064	19.4
91.05495	21.1
92.05814	0.7
93.07051	9.1
95.05000	0.8
95.08623	3.6
98.20793	0.9
103.05460	2.8
105.07043	100.0
106.07400	1.6
107.08591	3.1
115.05428	1.1
117.07037	5.2
119.08595	57.5
120.08929	1.1
121.06460	0.7
121.10134	0.7
124.97486	0.5
128.06221	1.0
131.08556	3.4
132.09332	1.8
133.06505	0.9
133.10144	44.4
143.08575	1.3
146.07249	1.5
146.10855	1.3
159.11716	1.9
161.06015	2.3
161.09644	10.3
161.13278	59.2
162.13690	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01883	0.7
55.05516	6.2
56.96556	0.6
65.03947	2.2
67.05512	29.6
69.03445	1.2
69.07073	6.9
71.30692	1.1
77.03972	0.4
78.04704	0.5
78.93129	0.9
79.05499	11.7
81.07063	25.9
83.08636	0.8
88.14604	0.4
89.93304	0.4
91.05489	24.1
93.07058	12.1
94.41779	0.5
95.04966	1.1
95.08611	7.7
97.22847	0.6
101.14473	0.6
101.95083	0.6
103.05463	3.4
105.03427	1.1
105.07039	100.0
106.07389	2.2
107.04996	0.5
107.08587	4.1
115.05470	3.0
116.76485	0.5
117.07035	7.3
118.04117	0.5
119.08588	52.5
119.95756	0.7
120.08897	0.9
121.06506	1.2
128.06248	2.2
131.08580	3.7
132.09373	1.1
133.02887	0.8
133.06494	3.8
133.10141	32.3
134.10611	0.7
143.08551	3.1
145.10175	0.7
146.07283	2.5
146.10907	1.3
150.78133	0.5
159.11725	1.8
161.02335	0.6
161.05975	7.1
161.07066	0.8
161.09642	16.5
161.13268	55.5
162.05441	0.8
162.13551	1.5
178.94962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03940	1.3
55.05513	4.0
65.03935	0.7
67.05508	13.0
69.07080	5.0
71.31149	1.1
72.61565	0.6
77.03914	0.6
79.05498	12.9
81.07063	37.9
91.05486	25.7
92.05848	0.7
93.07050	16.3
95.04974	1.4
95.08611	9.3
103.05489	2.0
105.07037	100.0
106.07375	1.5
107.08600	3.9
115.05398	0.8
117.06998	3.3
119.08588	52.6
121.06532	1.4
128.06242	1.2
131.08571	3.0
132.09369	1.8
133.06508	0.9
133.10138	31.0
134.10506	0.8
143.08554	1.1
146.07269	1.5
146.10934	0.9
159.11700	1.8
161.06003	6.1
161.09641	9.5
161.13266	61.1
162.13637	1.2
164.62209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.02378	0.6
53.03949	1.3
54.42476	0.5
55.01872	0.9
55.05520	3.5
62.76535	0.5
65.03941	0.7
67.05501	3.3
69.03441	0.8
69.07072	3.5
71.30859	0.6
71.31221	0.6
77.03970	0.6
79.05502	7.5
81.07064	13.8
81.64745	0.5
91.05487	17.7
93.07058	8.5
95.04977	1.3
95.08608	1.1
103.05473	2.9
105.07037	100.0
106.07365	2.2
107.04964	1.0
107.08595	1.5
115.05442	2.0
117.07020	5.0
119.04885	0.7
119.08591	55.4
120.06227	0.5
120.08858	0.8
121.06528	5.7
128.06200	3.3
131.04918	1.1
131.08582	3.9
132.05704	1.2
132.09348	0.8
133.06540	3.8
133.10141	30.1
143.08588	3.7
145.06448	1.1
146.07280	11.4
146.10793	1.0
159.11722	1.8
161.06007	12.9
161.09633	51.5
161.13268	44.9
162.05441	1.0
162.10043	0.8
162.13567	1.1
168.42171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.96862	0.6
53.03935	2.2
55.05519	6.7
57.54679	0.7
65.03949	1.8
67.05511	39.6
69.07074	8.1
69.52522	1.7
69.52946	2.6
73.12341	0.7
77.03922	0.9
79.05501	13.5
80.73939	0.7
81.07065	42.8
82.07394	1.1
83.08633	1.1
84.73443	0.7
87.59541	0.7
91.05490	36.1
92.05798	1.0
93.06487	1.0
93.07057	15.2
95.04952	0.8
95.08619	13.9
102.65739	0.7
103.05482	2.0
105.07042	100.0
106.07384	1.9
107.08630	5.0
115.05495	1.0
117.07046	5.4
119.08595	64.0
120.08929	0.9
121.06460	0.7
127.19370	0.6
128.06238	0.9
131.08560	3.3
132.09325	1.6
133.06509	0.9
133.10149	38.1
143.08498	1.4
146.07275	1.4
146.10931	1.3
159.11691	2.5
161.05974	3.0
161.09653	7.5
161.13277	67.3
162.13605	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01867	0.7
55.05510	1.5
65.93905	0.3
67.05508	3.0
69.03432	0.8
69.07064	1.3
71.80773	0.3
78.93147	0.4
79.05500	5.0
81.07065	5.9
89.03913	0.4
89.11839	0.3
91.02435	0.3
91.05482	11.7
93.07053	4.9
95.05003	0.4
95.08609	1.4
96.59454	0.4
103.05486	1.8
105.03391	0.4
105.07034	52.6
106.07372	1.0
107.04947	2.0
107.08588	0.8
115.05454	1.6
117.07018	2.6
118.07820	0.5
119.08585	19.7
120.08031	0.3
121.06509	12.3
121.07396	0.7
128.06218	3.8
131.04947	2.1
131.08556	2.3
132.05701	1.2
132.09337	0.4
133.06535	3.4
133.10133	27.8
134.10458	1.0
139.07481	0.4
143.08585	3.8
145.06480	3.0
146.07274	22.3
147.07617	1.0
155.06056	0.4
159.08052	1.3
159.11646	0.7
161.06049	4.6
161.09621	100.0
161.13257	16.2
162.05458	0.6
162.10013	3.3
162.13541	0.6
166.50471	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01871	0.9
55.05506	0.7
59.02985	0.5
67.05499	0.7
69.03424	1.7
70.81487	0.8
76.94696	0.5
79.05481	2.3
81.07043	1.7
84.87510	0.5
91.05483	8.1
93.04510	1.0
93.07060	3.5
95.08603	0.6
103.05464	1.5
105.07040	43.5
106.07345	0.7
107.04947	2.8
115.05455	1.7
116.06252	0.7
117.07031	1.9
119.04868	0.6
119.08602	8.8
120.05563	1.4
121.06506	19.6
128.06258	4.1
131.04939	3.6
131.08578	2.2
132.05719	1.7
133.06506	4.9
133.10144	28.7
133.65880	0.5
134.07155	1.0
134.10460	0.7
143.08577	3.8
145.06465	3.2
146.07280	29.4
147.07639	0.8
155.06030	0.6
159.08086	1.4
161.06068	2.9
161.09627	100.0
161.13226	6.4
162.05518	1.2
162.10059	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	161.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
52.85574	0.4
53.03951	1.1
53.21208	0.4
55.01873	1.6
55.05513	1.9
65.03925	0.8
67.05175	0.8
67.05506	9.1
69.03424	1.5
69.07066	2.0
69.78450	2.6
77.03918	0.8
79.05491	7.5
81.03403	0.4
81.07056	17.4
91.05484	16.6
93.06481	0.8
93.07047	9.0
95.04960	0.8
95.08606	5.3
98.20806	0.6
103.05494	3.5
105.03385	2.8
105.07032	72.4
106.07365	1.4
107.04971	3.4
107.08611	1.3
115.05473	3.4
116.06213	0.6
117.07022	4.6
118.04186	1.2
118.07787	0.5
119.04952	0.6
119.08582	23.4
121.06499	15.1
128.06229	5.2
131.04922	2.9
131.08588	2.7
132.05711	1.5
132.09332	0.6
133.02820	3.2
133.06505	5.8
133.10129	34.7
134.10472	1.1
143.08540	5.0
145.06485	3.3
146.03636	2.1
146.07272	26.8
155.06021	0.5
159.08086	1.6
159.11595	0.5
161.02373	1.2
161.06007	11.6
161.09616	100.0
161.13246	25.0
162.05470	0.6
162.10066	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	161.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66340	0.3
53.03941	0.8
55.01870	1.0
55.05512	1.8
65.03905	0.4
67.05515	1.8
69.03436	6.6
69.07066	1.5
71.11569	0.6
77.03947	0.4
79.05501	4.4
81.03414	0.5
81.07062	3.9
82.83756	0.3
85.02852	0.3
91.05487	8.9
93.07047	3.7
95.04977	0.9
95.08612	0.7
98.06032	0.3
101.95028	0.5
103.05480	3.2
105.03403	1.0
105.07037	38.2
106.07365	0.5
107.04977	1.5
107.08603	0.8
114.84093	0.3
115.05469	2.7
117.01277	0.3
117.07058	2.8
118.04177	0.6
118.07757	0.5
119.04929	0.6
119.08591	16.6
119.95728	0.8
120.08127	0.4
120.08901	0.4
121.06513	3.2
121.10061	0.4
125.31564	0.3
128.06238	7.0
131.04947	1.6
131.08562	3.3
132.05708	1.4
133.02859	0.6
133.06508	6.1
133.10135	15.6
134.10503	0.5
143.04861	0.4
143.07509	0.6
143.08583	8.6
145.06494	3.4
146.03612	1.1
146.07283	8.3
147.07613	0.4
155.06122	0.5
159.08093	3.6
159.11729	0.5
161.02350	0.7
161.06009	13.5
161.09624	100.0
161.13261	12.2
162.05446	0.3
162.10005	2.7
162.13728	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01876	0.6
55.05504	1.4
65.03944	0.5
67.05504	3.0
69.03427	1.0
69.07071	1.2
69.68861	2.0
79.05502	4.5
81.07059	4.5
91.05488	9.0
93.07047	4.6
95.04950	0.5
95.08598	1.1
103.05470	1.9
105.03400	0.4
105.07035	47.4
106.07364	0.6
107.04951	2.5
107.08581	0.6
110.27872	0.3
115.05455	1.3
116.06287	0.5
117.07018	3.0
118.04187	0.6
118.75602	0.3
119.08591	14.2
121.06508	14.0
128.06226	4.0
129.07005	0.6
131.04939	2.4
131.08611	2.0
132.05711	1.4
133.02875	0.4
133.06505	5.4
133.10135	23.2
134.10493	0.7
143.08549	3.0
145.06508	2.6
146.07268	25.4
147.07603	0.7
152.65549	0.4
159.08073	1.0
161.06017	7.2
161.09622	100.0
161.13248	14.8
162.10072	2.5
180.66676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20308	0.4
53.03942	0.9
55.01876	3.0
55.05502	1.5
65.03935	1.2
67.05506	3.7
68.09084	0.4
69.03435	7.0
69.07063	1.7
71.50954	0.9
78.93136	0.5
79.05499	7.5
81.06608	0.5
81.07059	7.8
89.87921	0.6
91.05489	16.9
93.07041	6.2
93.45222	0.5
93.69762	0.5
95.04948	1.1
95.08609	2.6
96.57600	0.5
97.87997	0.5
99.37575	0.4
101.95018	0.6
103.05468	3.7
105.07037	58.4
106.07352	1.2
107.04951	3.1
107.08595	1.1
115.05436	3.1
116.06201	0.7
117.07008	4.0
118.07802	0.9
119.04910	0.8
119.08586	26.1
119.95712	0.6
120.08911	0.6
121.05660	1.0
121.06506	14.6
121.10184	0.5
128.06248	7.4
129.07048	0.6
131.04939	2.9
131.08575	4.8
132.05716	1.3
133.06517	6.0
133.10141	32.3
141.07086	0.7
143.08563	10.7
145.06525	3.4
146.07274	24.8
155.06047	0.6
159.08080	0.7
161.06000	20.3
161.09624	100.0
161.13263	20.8
162.09933	2.1
167.47696	0.5
177.68997	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01867	0.7
55.05512	1.1
67.05502	2.0
69.03427	0.8
69.07056	0.8
70.20763	1.0
71.59079	0.3
79.05502	3.1
80.46292	0.3
81.07061	3.9
91.05486	7.4
93.07044	4.0
95.04987	0.5
95.08595	0.7
103.05455	1.3
105.07036	50.0
106.07365	1.1
107.04932	1.9
107.08576	0.4
115.05453	1.6
116.06197	0.3
117.07024	2.2
119.04939	0.5
119.08588	12.5
120.08904	0.5
121.05666	0.7
121.06512	11.5
128.06245	4.2
131.04924	2.2
131.08560	1.9
132.05714	1.0
133.06493	3.8
133.10141	25.7
134.10507	0.5
143.08585	3.6
145.06528	1.9
146.07271	19.7
146.11015	0.4
147.07610	0.8
155.06067	0.4
159.08028	1.1
161.06003	4.1
161.09621	100.0
161.13242	11.6
162.09949	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	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02373	1.0
53.03944	4.5
54.74672	0.4
55.01872	5.8
55.05499	0.8
65.03951	3.0
67.01868	2.5
67.05510	1.0
69.03414	0.6
71.02135	0.5
71.50944	0.8
77.03918	2.7
79.05495	31.0
80.05866	0.5
81.03445	0.5
81.07053	1.7
89.03925	0.5
91.05485	38.5
92.05832	0.5
93.03416	2.8
93.07050	1.9
95.04971	4.4
103.05470	49.2
104.05785	0.9
105.03400	1.8
105.04524	1.7
105.07033	100.0
106.07362	1.5
106.17538	0.5
107.04948	2.8
107.08542	0.6
115.05460	34.6
116.05726	0.6
117.07024	12.7
118.04147	0.9
119.04948	1.6
119.08582	8.7
119.85777	0.4
119.95775	0.5
121.06517	1.3
124.84590	0.4
128.06223	4.6
130.98035	0.4
131.04942	1.7
131.08556	1.4
132.05716	0.5
133.02811	0.8
133.06496	36.6
133.10124	8.2
134.06895	1.0
143.04897	1.4
143.08569	5.2
145.06471	1.0
146.03659	0.8
146.07257	3.8
161.05994	28.3
161.09630	19.3
161.13284	5.1
171.05598	0.6
172.85802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.80275	0.5
53.03959	2.5
55.01876	4.1
55.05514	1.3
61.20583	0.5
65.03937	0.7
65.85939	0.5
66.04727	0.8
69.07066	0.9
70.52560	1.7
76.43169	0.5
77.03950	1.9
79.05496	21.9
80.45657	0.5
81.07053	2.3
89.03909	1.1
90.04692	3.2
91.05489	7.2
93.07056	1.2
95.04964	2.4
103.05473	24.9
105.07037	100.0
106.07374	2.6
107.04919	1.4
115.05460	25.6
116.05727	0.8
117.07004	1.2
118.04173	15.4
119.08586	10.5
121.06454	0.9
128.06230	1.2
131.04936	4.3
131.08571	1.3
132.05731	1.3
133.06502	41.8
133.10133	8.2
134.06795	1.1
143.06047	6.4
143.08542	1.7
146.03641	4.5
146.07289	1.9
161.05991	27.8
161.09624	8.3
161.13266	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	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02387	0.9
53.03952	3.4
55.01881	4.2
55.05505	1.6
65.03934	0.5
66.04728	1.0
67.05519	0.9
69.03436	0.5
69.07070	2.0
71.22670	0.8
77.03934	0.8
79.05496	18.0
81.07062	6.7
89.03949	1.1
90.04708	2.9
91.05493	9.5
92.02632	0.6
93.07031	2.5
95.04965	2.7
95.08625	0.6
103.05473	20.8
105.04558	1.8
105.07037	100.0
106.07397	1.8
107.04948	1.1
107.08599	1.2
115.05466	23.8
117.07021	1.9
118.03539	0.3
118.04168	15.5
119.08586	17.3
121.06477	0.6
128.06245	1.0
130.04056	0.5
131.04933	4.2
131.08577	1.5
132.05716	1.1
132.09323	0.5
133.06502	37.8
133.10133	8.0
133.99509	0.4
134.06854	0.8
143.05014	0.9
143.06030	4.4
143.08519	1.0
146.03653	2.8
146.07297	1.9
159.11850	0.7
161.05992	17.4
161.09630	8.5
161.13274	14.1
161.14610	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02391	0.6
53.03948	2.4
55.01873	4.5
61.57256	0.4
65.69807	0.4
69.07076	0.9
70.02144	2.2
77.03915	1.1
79.05500	19.7
81.07048	1.0
90.04677	1.2
91.05489	7.2
93.07057	1.1
95.04966	2.2
98.21394	0.6
100.36089	0.5
103.05473	17.7
105.07037	100.0
106.07368	1.4
107.04961	1.2
115.05466	23.9
117.07076	0.8
118.04152	6.5
118.48569	0.6
119.04916	0.5
119.08594	12.4
121.06520	0.6
128.06259	0.7
131.04930	3.8
131.08511	0.6
132.05711	1.5
133.06502	33.8
133.10117	4.9
143.06068	6.2
143.08536	0.9
146.03651	5.4
146.07263	1.3
156.86922	0.5
161.05995	14.3
161.07260	1.0
161.09631	7.6
161.11954	0.9
161.13260	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	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03944	2.8
55.01659	0.5
55.01881	4.5
55.05518	0.8
58.59240	0.4
61.20611	0.5
65.03937	0.8
66.04726	1.4
69.03448	0.5
69.07045	1.3
70.61749	0.6
70.62096	0.9
77.03926	1.7
79.05498	21.5
80.05836	0.5
81.03436	0.6
81.07054	1.1
82.61028	0.5
83.49236	0.5
89.03922	1.4
90.04705	4.3
91.05492	5.2
91.50204	0.4
92.02575	0.4
95.04971	2.6
101.95038	0.7
102.04659	0.9
103.05474	24.6
104.05785	0.5
105.04517	1.7
105.07037	100.0
106.07358	1.7
107.04963	1.6
107.08599	0.4
115.05462	28.2
116.05763	0.7
116.32362	0.4
117.07033	0.8
118.04166	17.6
118.39737	0.5
119.05011	0.6
119.08594	7.7
128.06226	0.9
130.04131	0.6
131.04945	5.0
131.08551	0.4
132.05692	1.3
133.06500	42.5
133.10123	4.1
134.06825	0.7
143.05016	0.8
143.06061	4.9
143.08488	1.0
146.03615	1.5
146.07224	1.0
161.05981	14.8
161.07265	1.0
161.09604	6.1
161.13261	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	161.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80275	0.5
53.03959	2.5
55.01876	4.1
55.05514	1.3
61.20583	0.5
65.03937	0.7
65.85939	0.5
66.04727	0.8
69.07066	0.9
70.52560	1.7
76.43169	0.5
77.03950	1.9
79.05496	21.9
80.45657	0.5
81.07053	2.3
89.03909	1.1
90.04692	3.2
91.05489	7.2
93.07056	1.2
95.04964	2.4
103.05473	24.9
105.07037	100.0
106.07374	2.6
107.04919	1.4
115.05460	25.6
116.05727	0.8
117.07004	1.2
118.04173	15.4
119.08586	10.5
121.06454	0.9
128.06230	1.2
131.04936	4.3
131.08571	1.3
132.05731	1.3
133.06502	41.8
133.10133	8.2
134.06795	1.1
143.06047	6.4
143.08542	1.7
146.03641	4.5
146.07289	1.9
161.05991	27.8
161.09624	8.3
161.13266	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	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53466	0.2
56.96568	1.2
57.03446	0.4
58.99858	0.3
65.00784	0.2
69.03456	0.5
70.01473	0.8
70.16821	0.2
71.05009	0.4
73.02927	0.5
80.19651	0.2
81.03418	0.5
82.99846	6.1
83.99944	0.4
84.08138	0.5
84.48717	0.2
85.02895	0.6
88.02656	0.3
97.02908	0.7
98.97575	0.9
100.00071	0.2
101.00885	48.4
101.95042	0.4
102.00945	2.5
102.02324	0.3
103.00652	0.6
103.02388	0.3
105.07040	0.3
105.41778	0.2
111.00394	0.3
111.02928	0.2
113.00866	0.3
114.52121	0.3
115.00618	0.3
115.02440	0.7
116.98651	0.5
119.01924	100.0
120.02011	4.2
120.97894	0.3
121.01649	0.5
121.02378	0.5
124.02454	0.4
125.02638	0.3
127.13960	0.2
131.01901	0.8
133.01675	0.8
133.03462	0.7
137.02960	17.8
138.03053	1.0
139.02412	0.3
142.03525	1.2
143.01891	2.0
143.03661	0.9
144.03233	0.2
157.03482	0.7
161.02968	7.1
161.04437	0.3
161.04739	0.3
161.06644	0.5
162.03105	0.3
163.99812	0.4
173.03055	0.2
179.02254	0.7
179.03978	4.0
180.04211	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03968	1.2
64.38787	0.5
67.05518	3.8
70.06611	1.3
71.06934	0.7
71.08068	1.2
74.43192	0.5
76.93388	2.4
79.05503	3.3
81.07059	2.3
91.05490	19.7
93.07056	1.6
95.04979	0.5
96.17058	0.6
103.05468	1.4
105.07043	18.6
106.07418	0.5
113.02351	0.9
114.09177	1.5
115.05460	6.3
116.06289	3.4
117.07030	48.9
117.95990	2.1
118.07860	0.6
119.08598	5.7
128.06273	0.9
129.07021	13.3
130.07805	16.0
131.04942	3.6
131.08583	87.5
132.08904	1.9
141.01866	1.8
141.06956	1.1
142.07800	0.8
144.05717	1.7
144.09358	14.0
145.09889	0.6
157.10147	3.8
159.04427	0.9
159.08144	5.4
159.11708	100.0
160.09790	1.2
160.12048	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	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37438	0.2
58.99867	0.2
68.14526	0.2
70.98538	0.2
71.07700	0.3
82.99846	6.0
83.99913	0.2
91.72687	0.2
98.97552	0.3
101.00886	50.2
102.00945	2.3
102.96833	0.2
109.76238	0.2
111.00414	0.4
119.01924	100.0
119.75323	0.2
120.02001	4.3
121.01617	0.2
121.02376	0.3
124.02440	0.5
125.02673	0.2
128.49625	0.2
137.02960	16.2
138.03085	0.7
142.03510	1.2
143.01952	0.4
143.03630	1.2
144.03180	0.3
160.04568	0.3
160.47043	0.2
161.02968	5.1
161.04305	0.3
162.03136	0.3
179.04008	4.0
179.05580	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.80522	0.7
56.74942	0.8
56.96555	1.1
57.03432	0.7
65.03934	0.9
67.05508	6.2
69.16125	7.5
70.06604	3.7
70.75432	0.7
71.06915	2.7
76.92926	0.8
76.93374	8.9
79.05479	2.4
81.03420	1.2
81.07059	2.0
91.05492	16.6
93.07044	1.6
94.94411	3.4
98.20782	1.4
100.06016	0.7
103.05456	2.2
105.07041	25.1
105.53596	0.7
113.02361	2.1
113.07926	1.5
114.05520	1.1
114.09185	2.1
115.05450	7.8
116.06261	3.3
117.07022	27.1
117.95999	10.0
117.96819	1.3
118.96767	2.0
119.08588	9.8
124.07607	0.6
128.06232	1.9
129.07022	18.3
130.07814	7.7
131.04938	2.0
131.08580	48.1
132.08882	1.1
135.97054	3.9
138.87582	0.8
141.01825	7.9
141.07002	2.2
142.07719	1.3
143.08565	1.4
144.05702	2.5
144.09360	25.1
145.06525	0.9
157.10117	4.9
158.98663	1.0
159.04413	1.3
159.08092	18.6
159.11702	100.0
160.09727	1.2
160.12045	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	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03939	1.2
55.05501	1.9
55.51563	0.6
62.56667	0.6
65.03945	1.9
67.05511	17.8
70.63580	1.1
76.93365	2.6
77.03936	0.9
79.05502	14.5
81.07053	9.6
83.54369	0.6
85.64027	0.6
87.00832	5.5
91.05490	35.1
92.05798	0.8
93.07052	9.2
95.04958	1.0
98.97589	0.8
103.05451	1.8
105.07042	29.8
115.05472	8.7
115.75211	0.6
116.06263	3.4
117.01839	3.7
117.07027	60.9
117.95983	1.9
118.07299	1.0
118.07843	1.0
119.08597	8.9
128.06209	2.2
129.07014	20.1
130.07805	11.7
131.04918	1.2
131.08580	71.5
132.08907	1.6
137.46948	0.6
141.01816	0.9
141.07053	1.4
142.07802	2.5
143.08557	2.3
144.05798	0.7
144.09354	22.2
144.45930	0.6
145.09712	1.3
145.45378	0.6
157.10164	3.6
159.02901	1.2
159.04433	1.1
159.08105	4.5
159.11705	100.0
160.12044	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	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03935	0.6
56.96556	0.9
61.63055	0.5
64.95552	0.4
67.05498	2.9
70.06584	0.7
70.63742	0.9
70.64095	1.2
76.93375	2.7
79.05492	1.1
81.07051	0.7
84.47020	0.5
87.00854	0.7
91.05480	6.4
94.76189	0.4
98.97584	3.9
102.59191	0.5
103.05491	4.0
105.07037	22.9
109.97948	0.5
113.02407	0.7
115.05466	2.3
116.06240	1.9
116.98626	1.2
117.01899	0.6
117.07034	14.0
117.95976	2.5
119.07809	0.9
119.08596	10.8
128.06213	1.4
129.07010	13.9
130.07817	6.2
131.04962	4.2
131.08583	33.5
132.08943	1.1
135.96989	0.6
141.01826	0.9
141.07004	0.6
142.07779	1.8
143.08565	1.5
144.05672	0.7
144.09352	26.6
157.10141	6.3
159.04427	1.6
159.08058	2.0
159.11702	100.0
160.12086	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
60.38601	0.4
65.03937	0.7
67.05176	0.7
67.05508	5.4
70.81290	0.9
70.81660	0.9
76.93367	0.7
79.05492	2.8
81.07064	2.8
91.05481	10.1
93.07057	0.9
103.05479	0.4
105.07039	25.1
106.07360	0.5
108.30161	0.4
115.05432	3.6
116.06240	2.4
117.07022	23.9
117.95959	0.7
119.07795	0.8
119.08578	8.0
128.06236	1.3
129.07016	12.7
130.07816	7.3
130.74643	0.4
131.08575	43.4
132.08923	1.6
141.01755	0.6
142.07774	2.6
143.08548	0.6
144.09349	22.6
145.09705	1.0
157.10158	5.3
159.11699	100.0
160.12022	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	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
51.02401	0.6
53.03952	1.8
55.05515	1.3
65.03943	1.1
67.05509	16.0
70.06609	0.7
70.73718	0.6
70.74078	1.3
76.93371	3.8
77.03929	0.6
79.05499	13.2
81.07066	7.8
91.05487	31.9
92.05787	0.6
93.07057	9.6
95.04976	1.1
103.05444	2.5
105.07037	32.0
106.07375	0.9
115.05464	11.2
116.06266	5.8
117.07027	55.4
117.96014	2.9
118.07809	1.7
119.08586	8.5
128.06235	1.3
129.07013	17.9
130.07817	9.4
131.08577	70.6
132.08926	1.8
135.97055	0.6
141.01810	1.6
141.07013	1.4
142.07793	2.4
143.08569	1.5
144.05708	3.0
144.09361	21.0
145.09587	0.6
157.10173	5.0
159.04407	1.2
159.08122	8.8
159.11703	100.0
160.12088	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	156.0424
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
61.32669	0.9
68.97459	1.1
70.12106	4.0
74.09724	19.1
85.23486	0.9
96.96948	5.2
98.20742	1.2
101.32204	0.9
102.86099	1.1
112.05289	16.7
130.05345	1.0
130.06323	22.5
156.04236	100.0
157.04579	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0814
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
53.03942	0.6
55.01870	4.5
55.05510	0.4
56.05040	0.6
56.96299	0.9
56.96568	11.7
57.03436	1.1
57.07086	0.5
57.93577	3.6
60.78835	0.4
61.60415	0.4
62.60193	0.4
67.05501	0.8
68.05025	1.6
69.03429	2.7
69.07069	2.2
70.06599	23.9
70.51806	0.5
70.52162	1.2
70.98113	0.6
71.95280	3.0
72.04507	1.7
74.54617	0.4
75.93610	0.4
75.94609	1.5
76.93359	0.5
79.05553	0.4
81.03428	1.0
81.05791	1.0
81.69842	0.5
83.04979	0.5
84.04508	6.0
84.08151	1.9
85.02931	0.4
86.06066	1.1
87.04476	3.7
93.95640	0.7
94.06577	19.7
95.06851	0.4
95.07370	5.0
96.04498	21.3
96.08140	6.3
98.06061	16.4
98.97590	100.0
99.97900	0.6
102.05532	1.0
102.09158	0.4
107.47219	0.5
108.97061	0.4
112.07609	13.5
112.11221	0.4
114.05542	20.5
116.07099	3.8
116.97298	12.5
116.98622	41.0
117.95990	0.5
122.06040	6.0
122.45966	0.5
130.06517	0.9
130.08661	0.4
131.99559	1.4
134.95816	2.2
134.99673	10.6
138.05495	1.8
140.00217	1.4
140.07072	86.3
141.07414	1.4
143.01915	0.4
148.96162	0.8
152.96924	3.7
153.00722	1.0
158.01282	0.9
158.04053	0.5
158.08153	22.4
158.09619	2.8
158.11729	0.9
158.15375	0.6
159.08655	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1432
Annotation	Ipsenol
Peak:m/z	Relative Intensity
53.00319	0.5
53.03947	0.6
55.01871	0.7
55.05511	3.5
55.93524	0.7
57.03449	1.9
57.07082	100.0
58.07417	1.1
62.79578	0.4
65.03953	1.0
67.05512	8.4
69.03442	1.4
69.07083	1.5
69.44347	2.8
69.96199	0.9
70.95866	3.7
71.01356	0.6
71.04993	3.2
72.93797	33.5
79.05505	1.5
81.03449	0.7
81.07068	7.5
82.06595	0.5
83.04993	3.2
83.08632	0.5
85.02897	0.6
85.06551	11.6
88.96963	0.5
90.94838	6.4
91.05494	0.9
93.07076	1.3
95.04972	4.6
95.08614	4.7
97.06553	1.0
97.10172	0.4
98.98508	1.0
99.04488	1.8
99.08134	0.5
108.95851	0.6
109.06540	2.8
109.10164	9.2
110.07213	0.5
111.04452	3.2
111.08118	1.2
111.98524	1.4
113.06047	1.8
113.96413	17.1
119.04989	0.5
119.08632	0.7
123.04477	1.5
127.03892	0.5
127.07616	1.5
127.11175	0.6
131.96231	1.4
131.97495	7.3
132.95837	5.7
134.81535	0.4
137.06044	1.4
137.09622	2.3
137.13289	0.6
141.07085	0.4
145.06522	0.5
149.97293	1.1
150.96918	4.9
153.07037	0.8
155.03470	0.8
155.07106	5.0
155.08607	3.1
155.10735	1.3
155.14310	4.4
155.15419	0.5
155.97433	0.6
156.04288	1.3
156.08179	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1432
Annotation	(+)-2,6-Dimethyloct-7-en-4-one
Peak:m/z	Relative Intensity
53.67048	0.8
55.05522	1.8
57.03444	1.3
57.07080	100.0
67.05516	3.2
69.07056	0.9
71.10339	0.8
71.10666	1.1
72.93801	13.0
73.61267	0.8
80.09006	0.7
81.07067	4.4
83.04998	1.4
85.06551	9.3
90.94862	1.8
95.04985	0.9
95.08633	3.2
97.72650	0.8
99.08100	0.8
109.06514	1.0
109.10191	1.8
113.96400	7.2
131.96275	0.8
131.97429	0.9
132.95869	2.8
137.09648	0.9
150.96938	1.7
151.08990	0.8
155.07095	2.1
155.08548	1.7
155.14311	4.5
163.59903	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57923	1.1
50.91919	1.2
53.03950	4.3
55.01873	3.8
55.05514	32.2
55.93531	1.5
57.03440	5.8
57.07081	9.9
59.05004	5.9
60.12068	1.4
65.03935	6.1
67.05508	97.5
68.05841	1.2
69.03422	6.4
69.07068	21.5
69.19781	14.3
69.96171	1.3
70.95873	15.3
71.01350	15.7
71.04996	74.6
72.93792	86.9
73.02913	1.9
75.78808	1.2
79.05488	10.2
81.03430	3.7
81.07060	61.1
82.06597	1.4
83.04990	17.4
83.08621	3.5
85.02907	5.2
85.06545	5.4
90.94826	19.7
91.05502	6.8
93.07066	12.2
95.04972	27.5
95.08608	82.6
97.02869	1.7
97.06533	5.3
98.21551	2.8
98.98503	4.1
99.04461	55.6
99.08071	3.6
103.58867	1.3
107.08580	6.1
109.06535	15.7
109.10161	100.0
110.06033	3.3
110.10507	2.3
111.04420	8.2
111.08101	7.8
111.98475	4.8
113.06014	14.2
113.09663	3.0
113.96412	52.8
115.05482	2.3
119.08601	4.9
123.04436	5.5
125.02371	1.8
127.03944	3.8
127.07565	6.3
131.96196	4.5
131.97447	18.2
132.95839	19.8
137.02295	6.3
137.05978	5.1
137.09618	20.3
137.13277	5.9
138.05493	2.1
140.04697	7.1
141.07065	2.0
149.97159	3.1
150.96889	20.9
153.07040	1.8
155.03400	3.9
155.07042	21.0
155.08646	7.5
155.10654	9.2
155.14331	4.7
156.04208	2.5
156.09274	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	155.1068
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03947	0.9
55.01873	1.8
55.05512	5.6
55.93507	1.4
56.96566	1.0
57.07078	1.2
59.05007	5.9
65.03923	1.5
67.05508	25.6
69.03416	2.2
69.07075	25.4
69.84253	3.1
69.84674	1.5
69.96166	1.1
70.95865	5.4
71.01359	7.8
71.04995	8.6
72.79894	0.8
72.93796	100.0
79.05508	4.7
81.07069	7.7
82.06583	0.9
83.04997	5.1
85.02897	1.3
85.06538	2.2
85.10171	2.1
87.04470	1.8
90.94286	1.5
90.94833	25.2
91.05471	1.6
93.07038	2.6
95.04977	9.4
95.08609	18.5
97.05921	1.6
97.06538	25.9
98.98463	4.3
99.04453	3.0
107.08568	1.5
108.95878	2.1
109.06525	4.3
109.10169	22.1
110.06039	1.3
110.07165	1.1
110.10479	1.1
111.04443	3.6
111.98447	1.3
113.06004	3.5
113.09637	5.0
113.96412	60.0
115.05451	3.2
119.08564	1.4
122.07301	0.8
123.29615	0.7
127.03898	1.1
127.07601	1.5
128.06233	1.4
128.07101	1.0
129.06970	2.9
131.66174	0.9
131.96181	3.0
131.97447	24.6
132.95840	5.2
137.02274	0.8
137.05949	2.0
137.09627	25.8
138.05542	0.8
141.06985	3.5
149.97209	3.5
150.96913	8.2
153.06964	7.0
154.07727	2.6
154.99031	2.6
155.03482	1.5
155.07056	7.9
155.08543	25.2
155.10617	9.5
155.14270	1.7
156.04233	2.0
156.09279	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0857
Annotation	Acenaphthene
Peak:m/z	Relative Intensity
51.61618	0.4
53.03943	1.3
55.05521	0.6
67.05499	1.0
69.03410	0.4
71.49976	0.8
71.50375	0.4
72.93798	7.1
77.03944	0.4
81.07069	1.0
83.05006	0.6
90.94815	0.7
95.04992	1.1
98.98479	1.1
103.05491	1.2
105.04528	0.5
111.04430	0.7
113.06046	0.4
113.96426	3.7
115.05466	10.7
127.05450	1.9
128.06239	7.3
129.07025	11.9
131.97453	1.4
132.95851	0.6
136.48610	0.4
140.06233	1.0
141.07021	2.5
145.06467	2.2
152.06245	2.3
153.07007	28.3
154.07787	11.2
155.04948	2.0
155.06035	3.9
155.08566	100.0
156.04288	0.4
156.08952	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	155.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.05492	0.4
67.05508	2.7
69.24194	3.4
71.04983	0.3
72.93796	4.2
77.03958	0.6
81.07047	1.2
83.04976	0.8
90.94832	0.5
95.04984	1.7
98.98470	0.7
103.05476	1.8
105.04539	0.9
109.06529	1.0
109.10162	0.6
110.07185	0.6
111.04459	0.7
113.06038	0.5
113.96400	1.9
115.04841	0.4
115.05466	15.3
127.05450	2.8
128.06236	10.3
129.07022	16.9
130.06352	0.3
130.07373	0.3
131.97458	0.9
132.95842	0.4
137.06021	0.8
139.05377	0.4
140.06223	1.0
141.06989	2.7
145.06493	2.6
152.06232	3.9
153.07010	36.6
154.07788	13.6
155.04944	2.7
155.06046	6.4
155.08568	100.0
156.04224	0.6
156.06488	0.5
156.09055	3.2
171.08170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1068
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
51.05732	1.1
53.03943	4.2
55.01867	4.0
55.05513	29.9
57.03438	7.5
57.07078	38.1
57.58390	1.0
59.05000	5.1
65.03943	3.6
67.05508	90.5
68.05837	1.4
69.03428	6.3
69.07075	11.7
69.70400	7.1
70.95862	15.3
71.01358	16.0
71.04997	77.2
71.08622	1.1
72.93792	100.0
74.09734	1.6
75.36382	0.9
79.05490	9.0
81.03422	1.9
81.07061	54.2
82.06581	2.1
83.04988	16.5
83.08624	1.8
84.08176	1.3
85.02908	2.6
85.06540	9.7
87.04455	1.3
88.96896	2.5
89.02373	1.1
90.94833	24.4
91.05487	6.4
93.03410	1.2
93.07067	10.2
95.04981	22.4
95.08613	68.2
96.08931	2.1
97.06532	3.8
97.10202	1.2
98.20876	2.3
98.98476	4.4
99.04463	43.2
99.08095	4.6
100.04811	1.5
101.06052	1.7
107.08579	5.2
108.95840	1.8
109.02881	2.5
109.06522	15.5
109.10163	81.2
110.06059	1.8
110.07127	1.3
110.10448	1.3
111.04453	9.4
111.08122	5.5
111.98498	6.4
113.06011	12.6
113.09657	1.6
113.96410	58.1
115.05453	1.9
119.08578	3.2
123.04441	1.7
127.03912	2.9
127.07578	3.2
129.07001	1.3
129.99611	1.4
130.06265	1.2
131.96167	3.7
131.97441	24.5
132.95836	22.3
137.02362	1.2
137.05988	6.0
137.09633	13.2
137.13260	2.8
137.62085	1.0
138.05525	1.5
149.97173	2.4
150.96895	23.5
153.06999	3.1
154.99037	1.3
155.03386	4.0
155.07040	16.9
155.08528	13.4
155.10620	12.3
155.14288	2.5
155.97430	2.0
156.03041	1.0
156.04218	4.7
156.09169	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01886	1.3
55.05511	2.1
56.88843	0.4
56.96560	2.1
65.03945	26.0
67.05507	0.6
68.02661	0.6
68.05025	0.4
68.99803	0.6
69.03426	0.6
69.07071	0.5
69.53332	0.3
71.01377	0.7
71.50224	0.6
71.50648	0.4
72.93791	3.9
75.88808	0.4
79.01862	0.3
80.05020	0.6
81.03433	3.1
81.07059	0.6
83.04991	2.4
87.04496	0.4
90.94817	0.9
91.05465	0.3
93.03410	21.3
93.07055	0.5
94.01794	0.5
94.03777	0.5
95.04979	0.6
96.02117	3.3
103.02320	0.3
107.01326	1.4
108.04531	0.4
108.08120	0.4
109.02885	0.9
109.10136	0.4
111.04446	24.7
113.05977	0.5
113.96400	2.6
119.85187	0.4
121.03989	1.1
126.09235	0.4
127.03976	0.6
131.97420	0.5
134.04933	0.4
136.03873	0.4
136.07614	0.7
139.03908	100.0
140.04228	2.0
143.05437	0.5
145.06190	0.4
153.06964	0.5
154.05028	1.4
154.06252	18.5
155.08501	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01651	0.4
55.01895	1.1
55.05524	2.2
55.65360	0.3
56.96577	2.3
58.95369	0.3
65.03947	28.2
66.04295	0.5
67.05544	0.7
68.02682	0.5
68.99818	1.0
69.03459	0.9
69.07090	0.9
69.93561	1.6
71.01363	0.8
71.94129	0.9
72.93797	5.5
72.94138	0.4
75.26385	0.3
79.01902	0.5
79.05534	0.4
80.05069	0.4
81.03426	3.4
81.07081	0.7
83.04993	2.3
83.08652	0.4
87.04475	0.6
90.94835	1.6
93.03413	23.2
94.01851	0.4
94.06525	0.5
94.07431	0.5
95.04992	0.7
95.08640	0.4
96.02117	4.6
97.06557	0.4
98.21424	0.6
103.02357	0.8
107.01341	1.3
108.04510	0.4
108.08157	0.7
109.02920	1.4
110.06035	0.3
111.04451	26.4
112.04758	0.5
113.06003	0.4
113.96408	3.1
118.06613	0.5
121.04025	0.9
126.05505	0.4
127.03944	0.8
130.96371	0.5
131.97472	1.1
134.04930	0.9
136.04831	0.4
136.07590	1.5
139.03912	100.0
140.04271	1.4
143.05440	1.2
153.07007	0.6
154.05014	2.1
154.06250	18.9
154.07631	1.0
154.08688	1.3
155.06833	0.4
155.08554	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0863
Annotation	4-Deoxypyridoxine
Peak:m/z	Relative Intensity
52.64273	0.3
52.85225	0.3
53.03954	1.4
55.01876	2.5
55.05523	1.6
55.05780	0.3
55.93538	0.3
56.05059	0.4
56.05847	0.4
56.96542	0.7
57.07076	1.0
59.04987	0.3
59.27865	0.3
65.03945	5.3
66.04282	0.4
67.05511	27.1
68.05027	2.2
68.05833	0.3
68.96330	2.1
69.03441	1.3
69.07074	1.0
70.02959	0.4
70.06606	0.5
70.94244	1.5
71.04996	3.3
71.48692	0.3
71.94109	1.1
71.95264	0.5
72.93795	12.8
79.05505	2.2
80.05026	3.9
80.05834	0.8
81.03415	0.6
81.07066	6.2
82.06603	2.1
82.07401	0.9
83.04987	2.7
84.04522	0.7
84.05305	0.5
84.08143	0.7
85.06549	0.7
86.97372	0.5
87.04478	2.1
88.95293	0.5
90.94838	3.6
91.05495	5.0
92.04988	0.6
93.03394	0.5
93.05787	3.4
93.07059	0.8
94.02934	0.6
94.06582	2.3
94.07383	0.7
94.78316	0.3
95.04976	23.8
95.08618	2.7
96.04510	0.3
96.05317	0.8
97.06554	1.3
98.06059	0.4
98.06877	0.4
98.09727	0.3
98.98452	0.6
99.04472	0.7
99.08150	0.3
106.06577	0.4
107.07359	0.4
107.08632	0.3
108.04498	4.4
108.05200	0.4
108.08134	13.7
108.08907	1.5
108.95899	0.6
109.02881	0.5
109.06530	1.6
109.08467	0.3
109.10173	3.2
109.98954	1.0
110.06062	5.9
110.10515	0.6
111.03203	0.7
111.04500	1.6
111.06921	0.3
111.08101	1.0
112.03985	0.7
112.04756	0.4
112.07664	0.5
112.08416	0.4
112.96732	0.5
113.06010	0.9
113.96414	6.7
118.06542	1.1
119.04967	0.4
119.08559	0.5
126.05515	2.6
126.06359	0.9
126.09145	1.7
127.03970	0.4
127.07599	0.7
127.11209	1.0
128.00023	0.3
130.96324	3.4
131.96182	0.9
131.97447	3.1
136.04793	8.2
136.07588	100.0
137.05998	0.5
137.07983	1.7
137.09615	0.8
140.04691	0.4
148.97371	3.6
149.97253	0.5
153.06975	0.5
153.97922	0.5
154.04988	4.5
154.08641	17.1
154.12166	0.6
154.97664	0.3
155.03380	0.4
155.07033	2.5
155.08517	1.0
155.10635	0.6
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
53.03959	6.7
55.01865	5.7
55.05519	24.3
57.03428	2.6
57.07085	1.6
59.05007	9.6
65.03944	18.0
67.05235	1.5
67.05515	17.5
67.24525	1.4
67.24909	1.6
69.03436	4.9
69.07073	23.5
70.24361	5.7
70.94249	4.0
70.95863	2.1
71.04998	26.9
71.94129	1.4
73.06564	19.0
73.44215	1.2
73.78285	1.2
77.03911	1.9
77.93612	1.3
79.05499	39.4
81.03410	2.6
81.07060	100.0
82.04197	2.2
83.04977	14.7
83.08620	3.2
85.02901	2.1
85.06539	2.5
91.05491	18.6
93.03407	13.2
93.07050	60.9
95.04975	13.3
95.08612	26.3
97.06536	22.3
98.21418	1.9
105.04512	3.5
105.07058	6.7
107.04957	6.4
107.08604	66.3
109.06525	9.2
109.09476	2.0
109.10164	24.1
110.03666	6.2
111.04457	19.5
111.08095	10.1
111.96889	2.3
112.07595	1.8
117.07076	1.4
119.08629	2.2
123.11744	1.4
125.06021	13.9
125.09653	4.4
135.04410	13.9
135.08061	5.7
135.11699	34.2
138.03127	6.2
139.03825	1.5
145.93814	1.6
153.01865	2.3
153.05476	19.8
153.06937	7.0
153.09096	8.9
153.12758	25.3
154.08662	1.7
154.12222	2.4
171.82787	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	3-Thujanone
Peak:m/z	Relative Intensity
53.03944	1.9
55.01867	1.8
55.05513	10.0
57.03426	1.8
57.07080	3.7
59.04999	2.2
61.98429	0.6
65.03941	6.4
67.05508	20.3
69.03418	1.8
69.07068	14.4
70.94266	3.2
70.95889	0.7
71.04997	1.0
71.50723	1.1
71.94123	0.8
76.53938	0.6
77.03906	0.7
79.05075	0.9
79.05500	15.1
81.03454	0.7
81.07059	18.9
83.04980	13.0
83.08620	3.7
84.01578	0.6
85.02906	1.0
88.95320	0.8
91.05481	6.8
93.03404	4.9
93.07049	14.7
95.01352	0.8
95.04966	3.7
95.08003	0.6
95.08606	13.2
97.06532	8.5
105.07023	1.8
107.04966	7.1
107.08595	23.2
108.08929	0.8
109.06525	3.7
109.10159	100.0
110.03654	1.8
110.10509	2.4
111.04456	12.8
111.08081	10.4
111.11710	1.1
111.96878	2.4
119.06122	0.8
119.08604	1.4
125.02353	0.8
125.05983	5.9
125.09634	1.4
126.05519	1.0
129.97942	1.0
135.04428	6.9
135.08098	3.3
135.11691	11.1
136.07599	0.8
138.03111	1.0
151.17880	0.6
152.06218	5.1
153.01836	1.4
153.05484	10.3
153.06989	19.9
153.09041	7.0
153.10231	1.0
153.12752	10.5
154.05038	0.9
154.07724	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.57306	1.0
53.03949	4.5
55.01872	4.9
55.05514	28.0
56.96547	1.1
57.03433	3.3
57.07071	2.0
59.04994	2.9
65.03611	1.9
65.03944	30.2
66.72709	1.1
67.05511	19.6
69.03430	6.0
69.07071	15.6
70.94253	6.4
70.95865	2.7
71.04995	3.8
71.49731	1.0
75.04492	8.4
77.03934	1.3
79.05070	1.8
79.05500	22.0
81.03411	1.7
81.07061	23.4
83.04987	46.2
83.08619	5.7
85.06545	1.3
90.69901	1.0
91.05490	24.4
93.03413	27.7
93.07050	78.6
95.04978	27.4
95.08614	53.6
96.08898	1.2
97.02885	1.3
97.06536	22.8
105.04498	1.3
105.07031	5.6
106.04156	1.3
107.04974	4.8
107.08602	100.0
108.05780	1.5
108.08907	2.0
109.06526	20.9
109.09575	0.9
109.10163	28.4
110.03670	4.4
111.04446	33.1
111.08088	22.3
111.96874	2.8
121.02874	23.4
121.06509	13.6
122.07284	1.5
123.04491	1.7
123.08086	2.0
125.05994	21.7
125.09644	3.0
129.97917	1.3
135.04424	4.7
135.08080	5.5
135.11705	41.7
136.07605	2.3
138.06744	4.4
153.01918	2.1
153.05486	13.6
153.06691	1.9
153.09126	18.3
153.10144	0.8
153.12759	26.3
154.05026	1.4
167.96260	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.42019	1.5
53.00298	1.5
53.03949	8.8
55.01875	11.4
55.05517	51.9
56.96568	2.7
57.03436	3.8
59.05000	9.7
65.03944	24.1
67.05506	23.4
68.96327	2.1
68.99783	3.6
69.03439	13.5
69.06733	2.1
69.07074	27.1
70.13251	4.8
70.13658	3.5
70.94262	10.9
70.95855	2.8
71.01367	2.1
71.04996	32.6
73.06566	16.9
75.86585	1.6
77.03915	1.7
79.01871	1.8
79.05499	62.2
80.05045	1.7
81.03398	2.8
81.07063	100.0
82.07380	2.5
83.01351	1.9
83.04987	56.1
83.08618	4.5
85.02892	2.5
91.05491	27.1
91.26690	1.7
93.03416	18.3
93.07052	69.8
95.04987	21.7
95.08616	18.0
97.02906	2.8
97.06543	32.6
105.04509	3.1
105.07034	10.0
107.01304	3.8
107.04971	18.9
107.08603	83.0
108.08093	4.2
108.08905	1.4
109.06505	12.0
109.10167	21.9
110.03659	4.7
110.10472	2.1
111.04447	31.4
111.08090	23.5
111.96885	5.1
111.98386	1.5
117.07009	3.1
119.06105	2.4
119.08575	3.6
123.08060	5.3
125.02368	3.1
125.06002	23.2
125.09650	10.5
126.05526	3.5
130.96370	2.3
133.09961	1.7
135.04430	35.7
135.08095	9.8
135.11693	31.1
136.07582	10.3
138.03107	5.4
138.06326	3.6
146.09340	1.7
148.97354	4.6
153.01846	6.9
153.05476	21.7
153.06683	2.1
153.07091	2.3
153.09126	11.8
153.12767	23.6
154.04994	3.0
154.08632	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02369	1.4
53.00316	1.4
53.03955	8.6
53.63212	1.4
54.10934	1.1
55.01878	6.1
55.05517	25.1
56.05849	2.6
56.96566	3.5
57.03432	4.2
57.07092	2.6
59.05010	6.1
60.54412	1.3
65.03944	32.6
67.05506	20.8
68.96326	3.1
68.99796	2.1
69.03442	9.9
69.07073	19.1
70.85477	2.0
70.94257	15.8
70.95860	5.6
71.04994	27.2
71.94101	1.5
73.06566	18.9
79.01868	6.2
79.05498	60.6
80.05019	1.8
80.05817	1.7
81.03422	4.1
81.07062	100.0
82.07393	2.3
83.04987	24.1
83.08652	3.3
84.08146	3.4
85.02901	2.4
85.06540	2.6
88.95303	3.5
88.96867	1.9
91.05490	20.9
93.03414	22.3
93.07047	59.7
94.04241	1.7
94.06586	1.7
95.04969	28.3
95.08608	14.1
97.02892	5.6
97.06535	26.8
105.04520	3.7
105.07059	6.3
107.01300	10.0
107.04961	22.2
107.08598	68.9
108.08190	2.2
108.08931	1.7
109.06518	15.2
109.10168	17.4
109.98999	1.6
110.03671	10.8
110.06068	2.0
111.04453	51.7
111.08091	19.5
111.96859	7.6
115.05367	1.3
117.07016	2.7
119.06089	2.1
119.08564	2.3
121.02880	3.6
123.08048	1.7
125.02396	4.7
125.06004	32.4
125.07915	1.9
125.09625	9.0
126.05502	2.3
126.09158	2.4
129.97920	2.8
130.96304	4.4
135.04431	24.8
135.08066	13.8
135.11703	24.1
136.03947	1.4
136.07587	9.1
138.03120	7.2
143.03426	2.6
148.97356	6.9
153.01871	11.8
153.05495	34.5
153.06602	3.1
153.09125	15.1
153.10204	2.6
153.12764	18.5
153.13893	2.3
154.04994	4.1
154.08624	19.9
154.09779	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	Perilla alcohol
Peak:m/z	Relative Intensity
53.03940	2.8
55.01876	6.3
55.05513	28.7
57.03443	11.4
57.07067	3.3
59.04998	2.9
65.03944	19.8
67.05508	32.5
67.32660	1.2
68.99797	8.9
69.03430	7.4
69.07073	100.0
70.94285	2.8
71.04996	13.2
71.50134	1.3
73.06557	1.9
77.03896	1.1
79.05501	30.1
81.03410	2.3
81.07064	42.8
83.04986	17.6
83.08621	16.0
85.06548	2.5
91.05474	9.1
93.03413	16.8
93.07050	52.6
95.04966	5.1
95.08615	34.5
97.02895	1.3
97.06537	32.3
105.04544	1.1
105.07053	2.9
107.04967	5.7
107.06097	1.1
107.08600	55.1
108.08894	1.3
109.06528	4.1
109.10168	36.8
110.03661	4.9
111.04448	19.6
111.08087	12.9
111.11732	3.8
111.96844	1.8
119.06018	1.3
124.42289	1.0
125.02369	1.1
125.06001	8.3
125.09661	4.9
135.04431	6.1
135.08063	1.9
135.11705	55.8
136.07564	1.9
138.03110	1.9
139.03911	29.0
152.06334	1.2
153.01849	2.4
153.05478	10.6
153.07004	10.4
153.09106	6.3
153.12756	48.7
154.05046	1.5
154.06250	4.5
154.07504	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	(+)-trans-p-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03947	2.1
54.19655	0.9
55.01863	2.1
55.05518	12.4
57.03441	6.1
57.07070	2.8
59.05015	2.4
65.03941	7.7
67.05511	36.3
69.03418	3.5
69.07073	56.1
70.94270	5.1
70.95867	1.2
71.04989	2.9
71.94097	3.2
73.06600	0.8
79.05499	35.8
80.05814	1.0
81.07065	40.8
83.04984	9.8
83.08616	6.3
85.02907	1.3
85.06549	1.8
87.69173	0.9
91.05487	6.6
93.03423	4.7
93.07051	50.7
95.04964	4.0
95.08618	23.9
97.06538	27.2
98.20618	1.8
105.07037	2.6
107.04977	8.0
107.08603	52.6
109.06515	2.2
109.10164	38.9
110.03653	2.9
111.04515	7.2
111.08090	9.4
111.11718	1.5
111.96861	3.5
112.96748	1.3
116.57502	0.9
117.07041	0.9
125.06014	9.8
125.09608	1.1
126.05499	1.0
126.06352	2.5
129.97919	2.3
132.04343	0.9
134.48070	0.8
135.04388	2.0
135.08093	1.6
135.11702	100.0
136.04010	1.1
136.07567	1.0
136.12073	1.0
138.05095	1.2
153.01875	1.3
153.05504	11.5
153.07439	7.8
153.09120	2.9
153.12759	74.3
154.05017	1.4
154.08646	1.5
154.13077	1.3
154.15999	0.9
167.01074	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0547
Annotation	Resorcinol monoacetate
Peak:m/z	Relative Intensity
51.02385	1.0
53.03946	3.1
53.99028	0.8
55.01859	2.6
55.05278	1.2
55.05516	17.6
55.44317	0.7
55.87587	0.7
57.03423	1.6
59.04988	0.9
64.98392	0.8
65.03944	93.0
66.04255	1.1
67.05505	4.3
68.99796	0.8
69.03429	4.0
69.07073	4.5
69.64980	4.9
70.94272	4.2
71.04995	1.1
73.85326	0.7
74.42796	0.8
79.05067	0.9
79.05497	9.5
81.03411	1.9
81.07056	4.8
82.06612	1.3
83.04990	31.7
85.74030	0.7
87.92035	0.8
91.05495	3.8
92.02573	1.3
93.03413	86.7
93.07047	6.1
94.03729	1.7
94.06560	1.0
95.04964	6.8
95.08607	3.8
97.06538	6.0
97.10166	1.0
105.04501	2.4
105.07018	1.4
107.04973	4.8
107.08595	11.1
109.06486	2.8
109.10159	5.2
110.03664	13.9
111.04451	100.0
111.08077	5.6
111.69902	0.7
111.96867	2.4
112.04774	1.5
125.02387	0.8
125.06002	57.2
125.09634	2.1
126.05456	1.0
129.97833	0.8
130.02370	0.7
130.96220	0.9
134.05988	1.7
135.04428	29.6
135.08067	3.7
135.11658	2.4
136.07559	1.6
138.06274	0.8
144.89510	0.7
153.01894	1.2
153.05479	22.9
153.06741	2.4
153.09128	4.7
153.12723	5.8
154.04951	1.6
154.08640	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0548
Annotation	4-Hydroxyphenacyl alcohol
Peak:m/z	Relative Intensity
51.02393	0.8
53.00326	0.8
53.03948	4.9
55.01878	1.6
55.05519	6.5
57.03438	2.4
57.07073	1.2
59.05004	2.0
63.09858	0.8
65.03947	17.6
67.05517	12.0
68.43755	0.7
69.03435	3.7
69.04561	12.4
69.07077	8.3
70.94263	3.8
70.95889	1.0
71.04993	1.9
71.50073	1.0
77.03931	2.2
79.05499	15.7
81.03430	1.9
81.07065	13.2
82.04219	0.9
83.04985	10.0
83.08636	1.6
88.95324	1.1
91.05493	7.3
92.02649	1.8
93.03413	11.4
93.07059	14.4
95.04980	28.7
95.06041	1.5
95.08624	11.6
97.04015	6.6
97.06535	9.3
104.09827	0.8
105.04527	3.0
105.07036	3.4
105.41907	0.7
107.04250	0.9
107.04961	4.1
107.06119	1.0
107.08601	24.9
108.08177	1.1
109.06528	9.3
109.10172	35.2
110.03648	3.4
111.04446	10.6
111.05607	2.1
111.08099	5.6
111.96906	2.5
117.05730	0.8
117.06999	1.3
119.06090	1.4
119.08546	1.4
121.02879	56.1
121.06500	1.1
122.03262	1.5
123.05566	2.3
124.06351	14.3
125.06018	8.4
125.06935	1.2
125.09647	2.1
129.98029	0.9
135.04431	100.0
135.08073	5.2
135.09146	2.2
135.11710	10.6
136.04756	2.4
138.03195	1.2
153.05496	10.0
153.06818	2.1
153.09091	4.9
153.10252	20.9
153.12752	10.2
154.04980	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0548
Annotation	3-Methoxytropolone
Peak:m/z	Relative Intensity
51.56561	0.8
53.00291	0.9
53.03949	5.4
55.01877	5.6
55.05516	15.2
56.96558	3.3
57.03429	3.7
59.04989	2.2
65.03613	1.7
65.03947	28.3
67.05507	11.0
68.05831	1.4
68.96328	2.3
68.99799	2.1
69.03431	5.3
69.07072	11.7
70.06590	0.9
70.94266	10.7
70.95859	3.6
71.04990	3.5
71.50349	1.0
77.03936	1.5
79.01837	1.0
79.05498	30.1
80.05778	1.2
81.03419	2.9
81.07056	13.4
82.04192	1.8
82.06589	1.0
82.07388	0.9
83.04987	22.7
83.08627	2.2
84.08166	6.3
85.02911	1.7
85.06546	2.4
87.04475	1.0
88.95296	3.3
91.05494	13.8
93.03414	16.1
93.05800	1.2
93.06477	1.5
93.07053	19.2
94.06561	1.0
94.79461	0.8
95.04372	1.8
95.04978	33.7
95.08601	7.4
97.02898	3.0
97.06538	14.8
97.09286	1.0
105.04518	1.8
105.07044	3.7
107.01297	1.2
107.04970	20.8
107.08601	27.5
108.08117	3.5
109.06536	11.6
109.10143	8.8
109.70644	0.7
109.99013	1.0
110.03667	32.4
111.04452	41.6
111.08094	8.9
111.96883	5.5
115.05453	1.2
117.07050	2.5
119.06042	1.1
121.02877	2.8
123.04421	1.6
124.07634	2.2
125.02384	2.1
125.06007	24.5
125.06983	1.2
125.08839	0.9
125.09634	4.5
126.05474	1.7
126.09138	2.0
129.97957	2.0
130.96313	3.6
135.02695	1.7
135.04434	10.1
135.08073	8.4
135.10835	0.8
135.11670	4.8
136.07585	6.8
137.02347	1.1
138.03130	32.8
138.06380	1.9
139.88976	0.8
143.03412	1.3
148.97382	6.1
153.01881	9.1
153.05481	100.0
153.09119	10.1
153.10260	2.2
153.12791	6.6
153.13892	1.2
154.04997	3.6
154.08653	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	152.0708
Annotation	2-Descarboxy-cyclo-dopa
Peak:m/z	Relative Intensity
51.12424	0.4
52.32417	0.5
53.03937	0.7
55.01867	1.7
55.02985	0.6
55.05502	2.1
56.96309	0.9
56.96572	15.1
57.03440	3.2
57.07061	1.2
58.99869	1.7
61.02921	1.7
65.03955	2.9
66.01407	0.9
67.05506	3.3
68.05009	0.8
68.98292	1.7
68.99794	0.5
69.01923	0.6
69.03434	3.4
70.98103	1.5
70.99853	2.1
71.48840	0.7
71.95257	1.7
73.01408	0.8
73.02920	4.2
75.01909	4.6
75.51958	0.7
76.02172	0.5
77.00883	0.6
79.05497	2.6
80.05013	1.2
81.01908	1.0
81.03413	1.5
81.07052	1.0
82.01461	2.7
82.02686	1.8
82.04062	0.9
82.06565	0.6
82.99827	0.7
83.04977	1.1
84.02454	3.4
84.04492	0.5
84.52427	0.7
84.96059	0.8
84.99259	0.9
85.01418	6.0
85.02884	3.6
85.06576	0.6
86.99350	1.3
87.01900	0.7
88.02679	0.6
88.99173	0.6
89.00845	1.2
91.02451	1.4
91.03213	1.2
91.05467	0.9
92.05011	5.7
93.03410	0.9
93.05794	1.9
94.02614	0.8
94.06583	0.9
94.52450	0.7
95.04961	0.7
96.02478	0.7
96.04475	0.7
96.08135	1.5
97.00523	1.0
97.01369	0.5
97.02897	2.3
97.06550	0.6
98.01343	1.2
98.02170	1.2
98.51303	0.6
98.97595	14.9
99.01189	0.5
100.02473	4.2
101.00900	6.5
101.01608	0.9
101.02538	1.5
102.00927	1.3
102.02309	1.2
103.00691	1.0
103.02460	10.0
105.00392	0.6
105.02039	0.6
106.01040	1.4
106.06544	2.1
107.04963	1.1
107.08615	0.6
108.08128	4.6
109.01363	1.1
109.05170	2.2
109.06480	0.7
110.01284	1.7
110.02165	2.5
110.03543	10.6
110.06050	6.5
110.97580	12.6
110.99282	2.8
111.02059	0.6
111.02944	2.6
111.04457	1.5
112.07622	0.9
113.00876	2.7
114.04044	0.9
115.01395	5.3
115.02408	3.3
115.51404	1.0
116.01241	1.0
116.98633	3.9
117.02129	1.0
117.02935	1.2
117.03997	1.5
118.01088	0.9
118.01922	0.5
118.03571	1.5
119.01939	6.6
119.51983	1.3
120.00838	1.1
120.08043	0.7
121.01650	1.2
121.03510	3.3
121.06507	0.6
122.06008	2.0
124.01878	5.6
124.03957	1.4
124.07616	2.9
124.11132	0.5
124.51987	0.6
125.04699	1.1
125.06006	0.7
126.03360	1.0
128.02382	0.6
128.04588	3.1
128.52477	0.6
128.98633	11.7
129.00342	8.3
129.02106	1.0
129.03999	8.2
131.01883	4.6
131.02701	0.6
133.02489	0.9
133.03467	3.7
134.06030	9.1
134.09714	0.6
134.99651	0.7
135.03036	21.4
135.05167	0.7
136.01419	0.7
137.06030	0.6
138.05492	1.1
141.02257	1.0
142.03493	1.2
143.01878	2.7
143.03540	0.6
144.04980	0.7
144.99846	0.8
145.03490	1.9
146.03571	0.8
146.99704	5.7
147.01405	24.8
147.03157	4.9
147.05032	10.5
148.01479	1.5
148.03824	0.5
149.02997	0.9
150.55998	0.5
152.01846	2.4
152.05687	84.4
152.07066	100.0
152.10661	7.6
153.02069	0.9
153.04095	23.7
153.07393	2.2
155.01926	0.6
158.99655	1.7
159.01347	0.6
159.03276	1.0
161.02959	2.5
161.06590	2.0
162.03090	0.6
162.06102	0.6
165.02429	1.7
165.06143	1.1
170.03015	9.3
173.02960	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0568
Annotation	Guanine
Peak:m/z	Relative Intensity
55.02986	0.7
56.96572	2.7
57.03439	0.7
68.98256	0.5
70.40304	0.4
70.40653	1.0
70.99852	0.5
73.02917	0.5
75.01916	0.7
79.05493	0.4
81.03432	0.4
82.01424	0.5
82.02663	0.5
82.04073	0.6
84.02435	0.6
85.01416	1.9
85.02905	0.5
92.05009	1.3
97.01404	0.4
97.02875	0.7
98.21194	0.7
98.75839	0.3
98.97587	0.6
100.02491	1.1
101.00875	1.3
102.02323	0.5
103.00656	0.8
103.02459	2.1
107.03574	0.7
108.08128	1.0
109.05126	1.5
110.03537	15.0
110.06038	0.9
110.97586	3.8
110.99303	0.9
111.02917	0.8
113.00874	0.7
115.00558	0.3
115.01379	0.6
115.02425	0.7
117.02146	0.4
119.01905	1.3
121.01675	0.4
121.03503	0.6
122.06053	0.5
123.02930	0.4
124.01868	0.5
124.07574	0.4
128.04593	3.6
128.98604	2.9
129.00359	1.5
129.04005	2.0
131.01927	0.8
133.03459	0.9
134.04637	1.3
134.06018	2.4
135.03035	28.8
136.01497	0.5
143.01918	0.7
145.03464	0.7
146.99658	0.7
147.01407	4.2
147.03244	1.2
147.04982	2.2
152.05682	100.0
152.07051	18.7
152.10544	1.7
153.04089	23.3
153.06061	1.1
161.02975	0.5
161.06691	0.4
167.77577	0.4
170.02986	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03947	6.9
55.01879	8.0
55.05513	12.6
56.96558	2.0
57.03441	7.2
57.07058	1.2
65.03942	7.6
67.05510	59.6
68.99802	2.5
69.03430	8.3
69.07056	3.7
70.68778	3.2
71.04998	6.9
77.03915	1.6
79.05496	51.2
80.06274	3.2
81.03419	4.2
81.07063	63.7
82.82991	1.0
83.04990	7.2
85.06544	2.2
90.04700	1.1
91.05485	62.4
93.07050	39.2
95.01332	1.5
95.04971	23.7
95.08613	63.5
96.05788	1.2
96.08909	1.4
97.06514	2.8
103.05478	6.8
105.04533	1.7
105.07037	89.3
106.07388	2.4
107.04963	13.9
107.08598	57.4
108.02069	2.1
108.05762	10.9
109.02865	1.2
109.05388	1.4
109.06524	32.9
109.10157	23.1
115.05447	2.6
117.06998	1.5
119.04940	4.8
119.06036	2.4
121.06551	3.0
121.10134	3.0
123.04441	8.1
123.08077	44.3
123.11697	14.2
131.08591	2.8
133.06499	17.7
133.10135	41.3
133.93018	1.2
135.04433	3.5
136.05194	3.8
137.05997	4.0
141.05495	1.3
151.02823	1.6
151.03917	15.9
151.05042	4.4
151.07553	100.0
151.11182	66.2
152.05867	1.1
152.07051	3.7
152.08093	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03957	5.2
54.09462	0.8
55.01871	6.5
55.05515	11.8
57.03442	7.0
57.07079	1.4
57.76927	0.9
59.04976	1.1
60.25009	1.0
65.03953	6.3
67.05511	70.4
68.99795	1.9
69.03078	1.3
69.03436	10.8
69.07063	4.1
70.94786	1.8
71.05000	7.7
77.03933	2.5
79.05502	48.6
80.05832	1.1
81.03419	3.3
81.07065	72.2
81.55384	0.9
82.07373	1.6
83.04993	6.8
85.06552	4.4
91.05490	70.2
93.07053	38.3
95.04977	23.7
95.08615	45.8
95.26160	1.0
97.06532	4.1
103.05476	5.0
105.04509	1.5
105.07043	100.0
106.07349	2.3
107.04951	3.1
107.08609	64.6
108.02099	2.0
108.04517	1.0
108.05741	4.2
108.08931	1.8
109.06533	37.3
109.10170	29.7
110.10465	1.5
115.05447	1.9
119.04983	2.9
119.06071	1.6
121.06557	1.3
121.10135	2.2
123.04443	5.9
123.08084	41.1
123.11699	10.6
124.07577	1.1
131.08578	4.1
133.06511	10.1
133.10141	57.4
134.10443	1.2
136.05254	1.7
137.05986	3.3
146.09642	0.9
151.02963	1.2
151.04010	10.3
151.05057	2.7
151.07565	45.6
151.11195	93.1
152.05927	1.4
152.06973	5.3
152.11565	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	151.0755
Annotation	3,5-Dimethyl-4-hydroxy benzaldehyde
Peak:m/z	Relative Intensity
53.03947	5.0
55.01874	9.5
55.05518	7.3
57.03438	4.7
57.07077	1.9
61.83124	0.8
65.02264	0.8
65.03954	7.4
67.05510	38.0
68.99795	3.6
69.03436	8.7
69.07067	1.2
70.94196	2.3
77.03941	1.4
79.05500	30.0
80.06264	2.8
81.03415	3.3
81.07063	30.5
83.04975	1.9
83.08641	0.9
91.05488	51.3
92.05843	1.3
93.03419	1.0
93.06479	1.6
93.07050	18.5
94.04194	1.1
95.01378	1.3
95.04979	13.8
95.08613	76.0
99.92778	0.9
103.05485	10.2
105.03391	1.3
105.04514	2.0
105.07039	53.5
106.07371	1.3
107.04955	4.6
107.08604	13.2
108.02115	1.1
108.05750	14.6
109.06532	27.9
109.10168	12.2
115.05468	2.4
118.04133	2.9
119.04955	18.2
119.05846	1.7
121.06497	3.3
121.10223	1.1
123.04446	8.5
123.08077	54.5
123.11699	8.0
127.80701	1.0
131.04936	1.2
133.06500	25.3
133.09296	1.2
133.10149	6.9
136.05205	7.2
136.08821	1.2
151.02849	2.4
151.03966	15.3
151.04991	2.2
151.07556	100.0
151.11176	35.0
152.08035	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	3,5-Dimethyl-4-hydroxy benzaldehyde
Peak:m/z	Relative Intensity
51.02379	0.9
53.03945	3.1
54.97669	0.8
55.01874	4.3
55.05511	4.0
57.03432	0.9
65.03930	2.1
67.05511	29.6
68.99789	3.3
69.03439	6.7
70.17011	2.5
70.17410	1.2
77.03904	0.9
79.05502	22.3
81.03440	1.5
81.07066	6.4
83.01344	1.3
83.04970	1.6
91.05496	7.1
93.07056	8.0
95.04986	6.3
95.08614	66.9
96.08952	1.0
102.34793	0.8
103.05473	10.5
105.04513	1.5
105.07040	41.1
106.07406	1.0
107.04959	2.9
107.08602	1.7
108.05756	9.6
109.06513	3.9
109.10152	0.9
115.05468	2.1
118.04158	1.7
119.04943	1.4
121.06480	1.9
123.04473	6.7
123.08073	50.2
123.11655	1.0
126.69745	0.6
128.34427	0.7
129.24522	0.9
132.48134	0.7
133.05493	1.3
133.06505	25.5
133.10181	1.0
136.05234	1.4
136.88098	0.8
137.05959	1.8
151.04073	4.2
151.07555	100.0
151.11157	2.5
152.08014	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	7782-26-5
Peak:m/z	Relative Intensity
53.03947	6.3
55.01877	4.9
55.05519	10.0
57.03424	2.7
57.03684	0.9
57.07070	1.6
59.05001	1.9
65.03938	3.7
67.05511	42.6
68.55678	0.8
68.99787	1.7
69.03434	12.8
69.07061	3.3
69.59872	5.8
71.04993	2.1
74.86933	0.9
77.03960	2.2
79.05499	32.5
81.03416	2.7
81.07064	40.0
82.07360	1.0
83.01368	1.0
83.04985	3.9
91.05490	18.3
93.07050	18.9
95.04984	13.9
95.08616	78.0
102.81121	0.8
103.05465	11.1
105.03416	1.1
105.04565	1.7
105.07040	61.5
106.07378	1.1
107.04981	4.4
107.08603	14.6
108.02043	1.1
108.05758	12.8
109.06533	29.5
109.10168	15.9
115.05424	1.5
118.04146	1.5
119.04969	2.9
121.06522	3.1
121.10175	1.7
123.03629	1.2
123.04440	7.9
123.08076	55.1
123.11724	11.0
124.07613	5.1
124.08367	1.0
133.06511	34.4
133.10133	8.6
134.06856	1.0
136.05188	2.7
136.08832	1.4
151.02829	1.0
151.03996	9.8
151.05016	2.1
151.07558	100.0
151.11188	35.7
152.07994	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	3,5-Dimethyl-4-hydroxy benzaldehyde
Peak:m/z	Relative Intensity
53.03946	4.1
55.01868	3.4
55.05515	7.7
57.03437	2.2
57.07076	0.9
64.97286	0.4
65.03948	3.8
67.05508	34.9
68.99805	3.3
69.03436	7.7
69.07056	1.8
69.37354	3.9
74.19865	0.6
77.03941	1.8
79.05497	25.7
80.06273	0.5
81.03436	2.1
81.06589	0.8
81.07062	14.3
83.01366	0.8
83.04987	2.6
85.76729	0.5
87.86024	0.5
91.05488	21.2
93.03407	0.5
93.07052	13.6
93.07639	0.8
94.04219	0.5
95.01330	0.8
95.04978	11.9
95.08613	76.2
96.08932	1.6
97.06532	0.9
103.05476	10.8
105.04526	1.9
105.07037	47.2
106.06574	0.8
107.04963	3.6
107.08586	7.4
108.02100	0.9
108.05750	10.9
109.06528	10.7
109.10149	6.0
110.06837	0.5
114.56371	0.5
114.70383	0.6
115.05479	2.5
118.04189	1.5
119.01860	0.7
119.04946	5.4
119.06062	0.8
121.06508	2.9
123.04453	7.7
123.08073	50.3
123.11700	2.9
124.03969	0.6
128.90349	0.6
128.98647	0.5
133.06499	26.8
133.10149	4.5
136.05206	3.6
137.05997	3.6
142.83463	0.5
151.03984	9.3
151.07553	100.0
151.11177	9.7
152.06956	1.0
152.08116	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0756
Annotation	7782-26-5
Peak:m/z	Relative Intensity
50.31391	0.6
53.03949	4.6
55.01884	3.9
55.05513	5.3
57.03429	2.3
65.03941	4.9
67.05511	34.7
68.99790	2.6
69.03433	6.5
69.07054	1.0
69.71005	1.9
71.04997	0.9
76.68129	0.6
77.03929	2.8
79.05500	25.7
80.05855	0.6
81.03418	1.8
81.06591	1.2
81.07066	21.5
83.04991	2.3
91.05487	17.8
93.07051	13.5
95.04984	11.7
95.08615	75.1
96.08953	1.2
103.05478	11.5
105.04534	3.0
105.07040	44.3
107.04958	2.7
107.08612	8.4
108.02097	2.3
108.05757	9.5
109.06528	9.7
109.10159	6.5
115.05476	2.5
117.25562	0.6
118.04166	1.5
119.04929	3.2
121.06503	2.4
123.04460	7.5
123.08080	49.6
123.11699	5.2
124.08426	1.5
132.05724	0.6
133.06505	24.8
133.10155	6.3
134.06836	1.1
136.05212	3.8
137.05992	2.2
141.05479	0.8
151.02895	1.0
151.03918	19.5
151.05043	5.3
151.07556	100.0
151.11185	16.5
152.07967	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	151.0754
Annotation	3,5-Dimethyl-4-hydroxy benzaldehyde
Peak:m/z	Relative Intensity
53.03949	4.3
55.01873	3.8
55.05511	7.5
57.03434	1.2
57.07061	0.7
60.32229	0.5
65.03935	2.8
67.05507	29.8
68.99783	2.8
69.03432	6.0
69.07082	0.7
70.67020	1.4
70.67393	1.1
77.03921	1.6
79.05495	24.1
81.03403	1.9
81.07056	13.9
83.04958	2.0
91.05483	18.5
93.06483	0.8
93.07047	11.2
95.04961	9.4
95.08610	67.3
96.08974	0.6
103.05467	10.6
105.03407	0.6
105.04510	1.7
105.07037	42.0
106.06579	0.7
107.04971	3.2
107.08615	5.3
108.02081	0.6
108.05735	10.6
109.06528	7.2
109.10177	3.7
115.05430	3.1
118.04130	1.4
119.04943	6.5
121.06509	2.7
123.04440	7.9
123.08071	50.9
123.11701	1.9
124.08362	1.0
131.04922	0.7
133.06500	23.7
133.10143	2.9
136.01620	0.7
136.05191	2.7
136.78755	0.6
137.05974	2.0
151.03996	7.8
151.07547	100.0
151.11147	7.5
152.06898	1.0
152.07964	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	151.0755
Annotation	3,5-Dimethyl-4-hydroxy benzaldehyde
Peak:m/z	Relative Intensity
51.02382	0.9
53.03957	4.1
55.01864	2.8
55.05525	4.6
55.28195	0.8
56.96563	2.5
57.03424	2.5
57.07070	1.7
65.03938	2.7
67.05510	28.8
68.99799	7.8
69.03429	7.5
69.07066	1.9
70.13203	0.8
70.95158	1.8
73.46584	0.9
77.03916	1.0
79.05499	21.2
79.90578	0.8
81.03432	4.3
81.07063	14.8
83.01406	0.8
83.04994	1.3
83.08620	1.2
83.94310	0.8
88.75585	0.8
91.05476	6.7
93.07047	10.2
94.04207	0.9
95.04980	10.5
95.08614	55.6
98.97626	0.9
103.05487	7.9
105.03403	0.9
105.04528	1.6
105.07038	35.1
107.04946	2.7
107.08604	4.7
108.05754	6.2
109.06527	6.7
109.10159	8.1
115.05482	1.9
119.01839	1.2
121.06535	1.6
123.04442	5.9
123.08080	37.8
123.11726	2.2
133.06511	20.9
133.10141	4.2
136.05183	2.1
151.02866	2.5
151.03932	39.7
151.07552	100.0
151.11139	7.5
151.14801	0.9
152.04376	1.3
152.07967	1.2
169.03526	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0756
Annotation	3,5-Dimethyl-4-hydroxy benzaldehyde
Peak:m/z	Relative Intensity
53.03962	4.0
55.01857	3.0
55.05506	4.9
56.96553	1.1
57.03436	1.7
65.03938	2.7
67.05511	30.9
68.99788	2.9
69.03435	7.2
69.07061	1.0
69.59406	3.9
74.64447	0.7
77.03926	1.6
79.05500	24.6
81.03397	2.2
81.07060	12.2
83.04967	2.1
83.08585	0.9
91.05483	8.4
93.07050	12.6
95.04977	8.5
95.08614	72.3
96.08956	1.5
103.05474	10.0
105.04527	1.5
105.07037	44.1
106.07301	0.9
107.04931	3.9
107.08625	3.9
108.02109	0.9
108.05738	9.0
109.06555	7.0
109.10147	3.2
115.05454	2.4
118.00825	0.7
118.04128	1.1
119.04941	0.8
121.06503	2.0
123.04446	7.4
123.08077	52.1
123.11706	3.0
124.08422	1.0
133.06508	25.8
133.10170	4.5
135.05556	1.0
136.05193	2.1
151.02837	1.4
151.03923	4.6
151.07553	100.0
151.11104	6.6
152.07932	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
50.30244	1.2
51.47094	1.2
53.03947	3.8
55.01870	3.0
55.05506	7.7
58.31068	1.2
63.82534	1.2
65.03941	44.9
67.05509	11.4
69.07069	13.2
69.52061	2.5
69.52464	8.7
71.81073	1.4
74.63046	1.3
76.42780	1.2
77.03928	1.8
78.89577	1.3
79.05067	2.2
79.05499	28.6
80.02649	2.0
81.07059	25.3
82.45825	1.5
82.95532	1.3
91.05487	22.6
93.03411	11.8
93.07048	44.0
95.04967	2.9
95.08598	4.0
98.21465	1.3
103.05502	1.5
103.96226	1.3
105.04528	1.5
105.07032	19.2
107.04945	5.5
107.07880	3.0
107.08596	55.4
109.06504	3.1
111.04470	6.5
119.06087	1.5
119.08590	4.4
121.02872	50.1
121.03979	19.1
121.06496	5.5
121.10141	30.6
131.08609	2.0
133.07608	2.7
134.10896	2.5
149.02348	100.0
149.06003	2.1
149.09653	6.9
149.13275	20.3
150.02684	3.0
159.65167	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.02375	1.2
53.00304	1.0
53.03951	9.3
55.01877	11.1
55.05512	10.1
57.03434	3.0
59.96912	1.2
65.03944	18.5
67.05511	52.6
68.42664	1.0
68.99799	3.9
69.03433	6.5
69.07054	1.7
70.88917	1.0
71.01334	2.2
71.04998	1.6
71.50364	1.7
72.77698	1.0
77.03927	3.7
78.75475	1.0
79.05498	29.2
80.02634	1.8
81.03413	2.8
81.06591	1.7
81.07060	29.4
83.04971	3.4
85.02922	2.1
85.06557	1.7
91.05486	48.6
93.03428	2.0
93.07044	19.7
94.04189	1.2
95.01346	2.9
95.04983	20.8
95.08618	68.1
97.06540	1.1
103.05473	8.2
105.04532	4.4
105.07039	56.8
107.04973	3.1
107.08606	17.7
108.02104	19.1
108.05743	9.4
109.02892	2.4
109.06538	15.2
109.10159	10.8
111.04427	2.3
115.05453	2.2
118.04154	1.6
119.04946	15.0
121.03990	2.8
121.06545	2.5
121.10177	1.4
123.03510	1.5
123.04433	11.4
123.08075	51.2
123.11721	8.6
128.02327	1.2
133.06505	17.8
133.10147	10.7
134.06033	1.3
136.01596	2.4
136.05202	3.9
137.05945	1.6
141.05489	8.2
151.02951	3.8
151.03912	100.0
151.05052	37.2
151.07550	97.0
151.11179	19.5
151.12357	1.8
152.04285	2.8
152.05473	1.0
152.07047	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	149.1327
Annotation	Multifidene
Peak:m/z	Relative Intensity
51.07299	1.2
53.03938	5.8
55.01868	3.0
55.05517	7.3
59.76702	1.4
59.80819	1.3
63.42092	1.5
65.03944	55.2
67.05498	5.0
69.07066	10.7
69.82347	7.5
73.79939	1.5
76.88011	1.5
79.05499	20.6
81.07088	7.5
88.65768	1.4
91.05479	33.5
93.03413	10.4
93.07047	48.1
93.27176	1.4
95.04969	5.1
95.08601	2.9
98.03689	1.7
98.87300	1.3
103.05466	4.0
105.07036	26.8
105.08950	1.5
107.04905	1.5
107.08607	49.5
109.06537	3.7
111.04435	5.8
116.06221	2.8
119.06072	2.2
119.08585	5.5
121.02872	53.2
121.03977	14.7
121.06489	16.9
121.10151	42.5
123.08118	1.6
131.08554	3.4
133.07657	2.0
134.03630	1.9
149.02353	100.0
149.05978	5.2
149.09651	13.2
149.13303	12.7
150.02693	2.2
163.65714	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03935	5.2
55.01872	3.0
55.05503	5.8
61.06361	1.4
65.03941	50.3
66.76835	1.2
67.05513	10.6
69.07065	11.0
71.29491	2.3
77.85400	1.1
79.05495	26.9
81.03409	1.9
81.07056	35.7
91.04974	2.1
91.05483	20.4
93.03420	9.6
93.07045	63.6
93.07632	3.0
95.04959	3.8
95.08597	4.2
98.03666	2.0
103.05511	1.6
105.04524	1.8
105.07054	7.5
107.04940	3.3
107.08601	40.6
109.06525	1.2
111.04433	6.6
116.06202	1.4
119.08569	2.3
121.02869	62.6
121.03977	20.2
121.06510	4.9
121.07790	1.1
121.10145	15.3
126.05591	1.4
131.08580	3.9
149.02348	100.0
149.05939	2.1
149.09656	9.7
149.13266	20.0
150.02689	3.0
150.05489	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.00275	0.8
53.03947	4.6
54.49192	0.7
55.01875	4.3
55.05508	2.2
62.39535	0.9
62.54631	0.9
65.03944	55.6
66.04279	0.8
66.80771	0.8
67.05474	0.9
69.03432	3.6
69.71825	4.1
71.58724	0.8
77.03908	1.2
77.04866	0.7
77.57993	0.8
78.04716	1.9
79.05495	9.0
80.02632	2.3
81.07051	2.2
89.45286	0.8
91.05482	30.0
93.03416	11.1
93.06483	1.4
93.07053	21.4
95.04980	3.7
98.03698	1.3
103.05478	7.8
103.33882	0.9
104.92895	0.8
105.04524	1.4
105.07042	14.1
106.04163	3.1
106.07823	2.2
107.04996	4.6
107.08598	9.3
109.06522	2.4
111.04469	7.4
111.18942	0.8
115.05454	2.2
116.06250	7.7
119.08572	2.6
121.02873	54.3
121.03985	25.8
121.06504	34.4
121.07388	1.7
121.10142	13.3
122.04308	0.9
129.07047	1.8
131.04945	1.0
131.08565	6.1
134.03621	1.4
134.07269	2.7
149.02348	100.0
149.05963	6.7
149.09625	28.8
149.13246	2.5
150.02710	2.0
166.90277	0.7
169.03497	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03932	4.9
55.01873	1.8
55.05524	6.6
55.46229	1.2
65.03618	2.9
65.03947	50.3
67.05519	2.3
69.07075	9.7
69.07401	1.7
70.27593	5.0
79.05496	12.9
80.02628	1.8
81.07050	7.0
91.05496	22.7
93.03411	11.8
93.06487	2.6
93.07051	47.5
95.04974	3.4
95.08631	2.1
103.05460	3.8
105.07050	14.8
107.08601	41.5
109.06525	2.2
111.04475	4.9
119.08550	1.8
121.02874	53.8
121.03981	20.8
121.06506	11.5
121.09337	2.4
121.10153	30.2
131.08575	3.3
134.07466	1.3
149.02354	100.0
149.05959	5.8
149.09586	7.9
149.13292	11.9
150.02661	3.0
150.09282	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03950	7.5
55.01873	7.3
55.05521	8.9
57.07070	1.2
59.94530	1.2
65.03944	47.5
67.05497	5.0
69.03426	1.6
69.07078	10.4
71.50774	1.4
71.51139	1.9
77.03914	1.9
79.05496	27.9
81.07063	8.6
88.55941	1.3
91.05482	34.7
93.03401	11.6
93.07048	58.6
93.07642	2.8
95.04990	7.0
95.08624	3.0
97.61265	1.2
98.03657	1.8
103.05489	7.4
105.03387	2.1
105.04506	3.9
105.07034	19.4
107.04935	4.3
107.08594	33.0
109.06548	2.7
111.04443	4.9
115.05415	1.4
116.06257	4.5
119.08632	3.0
121.02874	58.0
121.03978	15.8
121.06519	13.1
121.09336	2.2
121.10156	26.6
122.03197	1.4
129.06993	2.5
130.97490	1.3
131.04948	2.3
131.08574	8.4
133.06506	2.0
134.07310	4.4
134.10963	2.2
143.13676	1.5
149.02353	100.0
149.05916	6.5
149.09624	34.3
149.13268	10.1
150.02652	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	148.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82642	0.4
57.02111	0.4
59.05001	0.5
65.03941	0.5
70.06598	34.0
70.82489	1.0
71.06870	0.5
76.50893	0.3
84.04505	1.6
85.08473	0.6
86.94928	0.4
88.07638	100.0
89.07980	1.4
94.22917	0.3
96.73260	0.3
121.02860	0.5
130.08673	0.7
141.65755	0.4
148.09724	2.8
149.02368	1.3
159.09132	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02367	0.7
53.03949	8.1
54.15994	0.7
55.01876	3.5
65.03947	53.9
70.06486	1.0
70.06841	2.9
72.27686	0.7
73.46403	0.7
77.03935	2.5
78.04704	0.9
79.05495	3.1
80.02650	1.6
81.03416	2.1
81.07056	1.8
83.01312	0.8
91.05489	25.1
93.03416	11.1
93.07047	18.5
95.04966	5.8
98.03685	1.9
98.21459	1.1
103.05468	3.4
105.03397	1.6
105.04533	3.4
105.07028	2.4
106.04201	1.3
107.04957	2.0
107.08600	4.0
111.04466	5.6
121.02876	62.1
121.03983	19.3
121.06513	28.7
121.10139	1.9
131.08559	1.2
134.03659	4.3
149.02354	100.0
149.05992	19.3
149.09631	3.3
149.13275	2.0
150.02740	2.2
169.03505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
50.16771	1.8
53.03948	11.8
55.01868	6.5
55.05508	4.3
64.92315	2.3
65.03944	31.4
67.05518	2.8
69.03419	5.2
69.07061	2.3
71.17550	4.0
71.17908	1.9
77.03920	2.0
79.05495	30.5
81.07047	6.1
91.05484	83.6
93.03400	6.8
93.07047	51.9
95.04965	7.1
98.21449	2.4
103.05479	11.3
105.04482	2.2
105.07035	54.8
105.07697	3.8
106.07836	6.4
107.04945	9.4
107.08607	14.4
109.06529	6.8
111.04478	3.6
115.05459	8.2
116.06255	28.7
119.08602	9.8
119.90170	1.8
121.02868	34.1
121.03970	11.5
121.06507	53.5
121.10146	49.8
123.08073	5.9
129.07013	7.4
131.08565	36.0
133.07645	4.5
134.07281	4.5
135.65640	1.8
147.08061	3.8
148.51321	2.2
149.02350	59.5
149.05986	2.9
149.09625	100.0
149.13287	6.7
150.09918	3.0
164.04790	1.9
168.22972	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0606
Annotation	D-Glutamate
Peak:m/z	Relative Intensity
55.01876	0.5
55.05502	1.2
56.05038	6.6
56.96569	3.5
57.03431	1.2
64.95580	0.6
65.03654	0.5
65.03948	4.2
67.05490	0.5
68.30624	0.4
68.50413	0.4
69.03436	1.0
70.02942	0.5
70.06585	1.6
70.55935	1.2
73.02937	0.5
81.03380	0.6
83.05003	0.6
84.04507	100.0
84.08181	0.7
85.02905	2.9
85.04848	1.3
85.08463	0.7
86.03665	0.5
88.02718	0.7
88.07625	2.5
91.05515	0.5
92.04977	0.5
92.05853	0.6
93.03393	0.9
99.58369	0.5
101.00880	0.9
102.03380	1.4
102.05545	15.9
103.02397	0.5
106.96587	1.1
111.03814	0.5
111.04462	1.5
113.00874	0.5
115.02460	1.0
117.86149	0.4
119.01960	0.6
120.04446	0.4
120.05280	0.9
120.08173	0.6
121.02859	4.9
121.04001	1.8
124.93917	0.6
124.97624	0.9
126.02698	0.5
130.04999	7.2
131.01920	0.6
133.03481	1.7
143.01971	0.8
144.01985	0.7
148.03867	0.8
148.04961	0.5
148.06119	1.2
148.07536	1.0
149.02347	7.9
157.03520	0.5
162.03055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
56.05043	1.1
62.10360	0.5
65.03946	13.5
66.04269	0.6
70.65927	1.5
70.66317	1.1
76.56977	0.6
79.05500	0.8
84.04510	11.7
91.05478	4.7
92.05822	4.2
93.03411	2.2
93.07057	1.9
102.04693	100.0
103.04982	1.5
103.71234	0.6
105.07027	1.2
107.08623	0.9
111.04449	1.8
120.04538	0.8
120.05234	2.8
120.08057	0.9
120.08930	0.9
121.02882	15.7
121.03999	4.2
121.06479	1.3
121.10120	1.0
130.04153	66.1
131.04520	2.2
148.03999	1.0
148.05194	29.5
148.07596	1.3
149.02348	24.0
149.05779	0.8
149.09631	1.5
151.41324	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84610	0.5
56.05038	6.1
56.96556	1.0
57.03434	2.0
58.87346	0.5
61.02927	1.1
65.03944	1.6
69.03434	1.1
69.31724	0.5
70.06589	1.3
70.93977	1.3
73.98716	0.5
74.00666	1.7
76.02694	1.0
79.02177	0.7
81.03427	1.2
83.34848	0.5
84.04513	100.0
84.08125	0.6
85.01423	0.6
85.02911	4.5
85.04865	2.0
85.06557	1.1
86.03696	1.1
87.01966	0.6
88.02701	1.2
88.07626	3.8
94.02705	1.1
95.03484	0.6
97.03222	0.8
101.00913	1.5
102.04840	1.0
102.05552	15.5
102.95874	0.5
103.02506	1.2
103.03197	1.2
106.81956	0.5
113.00914	0.6
115.02436	0.6
119.01972	1.1
120.02027	0.6
120.03485	0.5
121.02892	1.8
130.04153	1.0
130.05017	6.6
131.01898	0.9
133.03500	4.7
134.03590	0.9
143.01839	0.6
148.06134	1.0
148.09621	1.3
148.11394	0.6
149.02332	4.2
151.04547	0.7
159.33868	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10005	0.5
62.95477	0.5
65.03946	9.8
70.66191	1.3
74.76689	0.5
79.05525	0.7
80.75866	0.5
84.04506	5.4
85.49982	0.5
91.05481	2.7
92.05016	0.8
92.05831	1.6
93.03409	1.8
93.07047	1.3
97.70881	0.5
102.04693	100.0
103.05016	2.3
103.48749	0.7
111.04462	1.5
120.05218	1.0
120.08067	0.7
120.08911	0.9
121.02862	9.1
121.03979	3.1
121.06486	1.4
121.10136	0.7
130.04152	54.6
131.04488	1.6
147.04358	0.6
148.04047	1.3
148.05190	27.7
149.02347	19.0
149.05576	0.7
149.09616	1.4
169.03444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.117
Annotation	Viridiene
Peak:m/z	Relative Intensity
50.08318	1.1
53.03939	3.0
55.05518	8.5
64.92810	4.2
65.03943	4.0
67.05506	10.2
69.07063	2.6
69.76167	5.4
71.63087	1.1
73.42558	1.1
79.05491	12.7
80.20255	1.2
81.07050	4.7
90.55161	1.0
91.05487	75.7
92.05807	1.2
93.07032	4.8
95.04954	1.6
103.05476	4.7
105.07039	100.0
107.08610	3.4
115.05472	2.0
117.07021	13.6
118.07843	1.2
119.04945	14.2
119.08591	91.9
120.08940	2.1
123.96459	6.6
126.46487	1.1
129.06970	1.2
130.07777	1.5
131.08522	2.2
132.09366	4.9
133.35612	1.0
139.82430	1.0
145.10175	5.9
147.04414	6.2
147.05551	2.0
147.08067	4.9
147.11696	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.117
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03943	2.1
55.05514	10.5
64.92804	2.3
65.03944	2.5
67.05515	6.5
69.07078	1.6
69.26136	6.1
79.05065	1.1
79.05502	12.9
81.07070	3.2
91.05492	59.6
93.07048	7.4
95.04970	1.5
98.21470	1.4
103.05467	5.4
104.06299	0.8
105.07040	100.0
106.07348	2.2
107.08614	3.0
115.05451	0.8
117.07037	11.2
119.04960	9.0
119.08591	70.6
120.08902	1.6
123.96462	4.7
129.07013	1.6
131.08582	1.1
132.05707	2.0
132.09337	2.4
145.10141	4.7
147.04430	3.1
147.08037	7.0
147.09099	1.2
147.11702	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	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.6
53.03937	0.6
55.05518	4.5
65.03943	8.7
71.50647	1.0
79.05500	3.2
84.04517	5.2
91.05485	100.0
92.02130	0.6
92.05838	2.3
93.07057	1.8
102.04706	2.7
103.05479	1.9
103.90347	0.7
105.07035	27.3
106.07362	1.2
107.04992	1.0
107.08579	1.8
114.64279	0.6
116.06232	1.2
117.07011	5.4
118.07354	0.7
119.04949	49.2
119.08588	36.4
120.05277	1.0
120.08897	0.8
129.07016	1.1
130.04158	1.5
131.08522	1.5
132.05716	1.2
132.09357	1.9
143.05876	0.6
145.10133	2.7
147.04420	24.3
147.08076	5.0
147.11702	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	147.1169
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03944	2.3
55.05513	9.8
64.92817	1.1
65.03945	6.0
66.91092	0.8
67.05502	1.8
69.07073	2.0
69.66135	3.9
74.00938	0.7
79.05495	6.1
81.07063	1.7
84.04528	4.9
84.14204	0.6
87.91977	0.7
91.05488	90.4
92.05806	1.8
93.07049	2.8
95.04951	1.4
98.21496	1.3
102.04719	0.9
103.05470	5.2
104.06273	1.5
105.07040	65.5
106.07358	2.0
106.53413	0.7
107.08591	7.6
115.05499	1.8
116.06257	3.0
117.07024	16.4
119.04950	31.5
119.08589	100.0
120.05275	1.1
120.08932	2.4
123.96467	2.2
129.07024	1.3
130.04121	1.1
130.07806	1.9
131.08569	3.9
132.05673	1.1
132.09334	6.6
143.08594	1.1
145.10127	8.6
145.68555	0.8
147.04433	16.8
147.08052	3.1
147.11700	41.6
148.12047	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.117
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03939	2.0
55.01871	2.2
55.05516	11.5
64.92797	2.2
65.03935	4.2
67.05506	5.2
69.07076	1.2
69.47684	7.0
74.10114	1.0
79.05495	8.8
81.07056	4.3
91.05486	68.2
93.07056	5.8
95.04995	1.5
103.04856	0.9
103.05469	5.4
104.06260	1.9
105.07039	91.0
106.07360	2.5
107.04953	1.2
107.08621	5.3
115.05462	1.7
116.06177	1.3
117.07025	16.2
119.04957	8.5
119.08590	100.0
120.08910	3.4
123.96488	2.3
128.06244	2.3
129.07010	3.8
131.05009	1.4
131.08568	1.7
132.05737	2.4
132.09357	5.9
145.10123	5.8
147.04424	5.9
147.05482	1.3
147.08055	12.0
147.11697	46.6
148.12042	2.6
154.24535	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03941	2.1
53.21083	0.9
55.05517	10.8
62.23203	0.9
64.92799	1.8
65.03928	1.5
67.05510	7.5
69.07070	3.7
70.24668	3.1
70.25008	1.1
77.60819	0.9
79.05498	12.1
80.04920	1.0
81.07053	5.2
91.05486	47.6
92.05802	1.0
93.07055	5.4
95.04966	1.2
103.05500	4.7
105.07038	100.0
106.07359	1.4
107.08601	1.6
114.07695	0.9
116.16264	1.0
117.07046	9.1
118.07806	1.3
119.04962	6.9
119.08588	65.2
120.08924	2.1
123.96461	3.5
130.07738	1.3
131.08618	1.2
132.09369	2.6
145.10104	5.3
147.04440	1.9
147.05531	1.4
147.08167	1.5
147.11694	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.117
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03941	2.4
55.05519	9.2
56.56679	0.9
64.92805	4.7
65.03938	3.5
67.05511	14.5
69.07059	4.6
71.00742	1.1
72.44432	0.9
79.05502	19.6
81.07072	12.4
91.05490	100.0
92.05822	1.8
93.07057	9.6
95.04990	1.9
95.32019	1.0
98.21622	2.0
103.05465	5.5
105.07040	99.7
106.07320	1.9
107.08599	2.6
117.07023	10.4
119.04958	10.6
119.08591	74.7
120.08926	1.9
123.96482	10.4
132.09367	3.1
145.10156	4.5
147.04425	4.4
147.05457	1.2
147.08086	3.2
147.11707	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	147.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.1
54.74250	0.8
55.05267	1.2
55.05515	12.9
64.92790	2.2
65.03939	1.7
67.05492	3.6
69.07060	2.1
70.76342	2.6
74.72543	0.9
79.05135	0.9
79.05502	9.3
81.07055	3.3
91.05484	48.6
92.05804	1.9
93.07072	4.6
95.04958	1.0
103.05444	5.5
105.07035	100.0
106.07372	2.0
107.08595	3.0
108.98134	0.9
117.07022	7.7
119.04950	15.4
119.08587	77.0
120.08913	1.8
120.38206	1.0
123.96453	5.3
131.08519	1.6
132.09373	2.3
133.54665	1.1
136.38014	0.9
145.10129	4.1
147.04474	6.2
147.08092	3.7
147.11691	37.1
148.12041	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.05510	9.6
60.43415	1.2
64.92795	1.6
65.03939	1.9
67.05512	6.9
69.07079	2.7
69.51605	9.0
72.02464	1.4
79.05501	14.5
81.07049	4.7
90.94440	1.2
91.05487	56.5
92.05827	1.5
93.07043	5.8
103.05471	6.5
103.66480	1.4
104.06261	2.4
105.07042	100.0
106.07371	2.8
107.08593	7.0
117.07021	16.3
119.04939	7.8
119.08591	97.7
120.08839	2.4
123.96466	3.7
129.07030	1.9
131.08578	2.9
132.09363	4.6
145.10110	3.8
147.04431	3.0
147.08115	1.5
147.11697	49.7
157.78339	1.4
165.47058	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
53.53601	0.6
55.01864	1.3
55.10970	0.7
57.03442	1.3
58.00011	0.7
62.92978	2.5
64.67197	0.7
67.05514	1.3
70.05518	2.5
71.05000	4.2
74.78210	0.6
79.05486	2.4
81.03403	1.9
82.06606	0.9
85.02906	2.3
89.28941	0.6
91.05486	15.6
98.27791	0.7
99.04461	11.0
103.05471	4.4
105.07037	78.1
106.07374	1.0
107.78509	0.6
108.37547	0.7
115.05452	9.9
116.06222	2.6
117.07022	26.4
121.96627	2.1
127.03931	1.3
128.06218	6.3
129.07014	10.8
130.07797	46.2
131.08095	1.1
143.08574	10.6
145.06454	2.5
145.10130	100.0
146.10451	4.0
157.07629	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0805
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
53.03952	2.1
55.01878	9.1
55.05507	2.1
55.22153	0.6
61.22435	0.7
64.92809	2.2
65.03944	6.5
67.05498	1.0
69.03434	1.2
77.03942	1.5
78.04736	0.9
79.05508	7.1
81.07050	1.2
84.04494	0.8
84.08160	1.0
91.05488	100.0
92.05829	2.1
93.03407	0.8
93.07052	6.8
95.04963	1.0
98.20658	1.7
103.05475	14.1
104.06273	4.5
105.03431	0.6
105.04528	0.8
105.07038	22.7
107.04971	7.3
107.08651	0.8
115.05460	3.3
117.06235	1.3
117.07030	20.9
118.07367	1.1
119.04964	17.9
119.08589	59.9
120.08908	0.9
121.80495	0.6
123.96463	3.2
128.06210	5.3
129.07014	12.1
131.04971	1.9
131.08519	0.8
132.05721	10.2
145.06490	0.8
145.10139	1.0
147.04434	14.2
147.05540	1.5
147.08057	50.9
147.11702	8.0
148.08466	1.2
155.05969	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
51.10336	0.6
53.03949	1.5
55.05517	11.8
58.87897	0.7
64.92802	0.9
65.03932	1.9
67.05497	1.9
69.07076	2.4
69.34091	0.7
69.34414	5.6
77.03928	1.0
79.05500	6.3
80.68697	0.7
81.07038	1.5
83.62698	0.6
91.05491	35.6
92.05793	0.8
93.07061	2.2
95.05023	0.7
98.20669	0.9
103.05490	3.3
104.06187	0.7
105.07039	100.0
106.07354	1.5
107.08613	1.4
114.33733	0.6
115.05494	0.7
117.07022	7.1
119.04949	9.5
119.08591	65.6
119.93615	0.6
120.08929	1.4
123.96458	2.1
130.07712	0.9
131.08606	1.2
132.09352	2.1
145.10141	4.8
147.04440	4.7
147.08046	2.9
147.11697	42.6
148.12033	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
57.03426	1.0
61.36205	1.0
62.92992	9.3
67.05501	1.5
70.32728	3.7
71.04995	4.8
79.05490	1.6
82.06591	2.2
87.31847	1.0
91.05491	19.6
99.03847	1.6
99.04453	11.1
100.07626	1.3
103.05441	3.2
105.07037	70.7
106.07383	1.1
111.67072	1.0
114.41045	0.9
115.05478	6.8
116.06249	2.6
117.07028	27.5
119.62210	1.0
121.96655	12.3
127.03957	1.3
128.06221	6.9
129.07030	10.8
130.07794	42.1
131.08128	1.2
143.08578	8.4
145.10133	100.0
146.06096	1.4
146.08156	1.4
146.10435	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	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
55.01863	1.8
57.19569	0.8
62.92987	1.9
65.03941	0.7
67.05513	1.4
69.03420	2.7
69.49321	5.6
71.05002	7.2
73.02905	0.7
77.46912	0.7
78.98257	0.9
79.05499	1.5
81.03425	1.7
85.02891	3.0
88.35624	0.8
90.06990	0.7
91.05484	14.7
97.02877	2.2
98.20784	1.3
99.04456	15.6
100.07616	1.2
103.05467	3.5
105.07038	74.1
106.07358	1.9
115.05470	10.5
116.06244	2.1
117.07029	28.5
121.96643	3.4
127.03927	2.6
128.06232	5.6
129.07016	10.2
130.07797	42.4
143.08559	9.1
145.06525	3.5
145.10132	100.0
146.10516	2.7
149.51485	0.8
155.06093	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.5
55.01871	2.9
55.05497	0.8
56.05018	0.7
57.03437	1.4
61.85849	0.7
62.92999	5.3
65.03928	0.9
67.05501	2.8
69.03419	0.8
70.82874	1.3
71.01360	0.8
71.04999	9.3
77.46212	0.6
79.05481	2.6
81.03417	3.4
82.06583	1.6
85.02892	2.4
89.32962	0.7
91.05488	21.2
99.04466	21.2
100.07614	1.7
101.02391	0.8
103.04877	0.7
103.05441	4.0
105.07044	79.2
106.07359	1.0
115.05473	11.4
116.06236	3.0
117.07031	33.0
118.07357	0.9
121.96661	6.7
127.03921	2.7
128.06248	5.8
129.07018	11.8
130.07800	47.7
131.08083	1.3
131.56517	0.8
143.08574	12.5
145.04982	1.4
145.06544	1.8
145.10135	100.0
146.08195	1.1
146.10480	2.9
155.06079	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
58.92717	0.8
62.92973	1.7
64.27084	1.0
65.03893	1.3
70.55775	2.9
71.04983	4.2
78.24433	1.0
79.05488	3.4
83.68153	1.0
85.02919	1.8
91.05482	23.2
99.04454	8.0
103.05457	3.2
105.07031	80.9
106.07370	2.2
114.39469	1.0
115.05455	11.0
116.06248	4.1
117.07018	41.7
118.07368	0.9
120.95842	1.0
121.96649	2.9
127.03870	0.9
128.06219	7.8
129.07016	14.7
130.07791	46.1
131.08151	1.0
140.67265	0.9
143.08559	12.1
145.10127	100.0
146.10469	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.0
55.01870	2.3
55.05517	1.8
57.03435	1.9
62.92993	11.6
69.50094	7.4
71.04997	15.3
79.05499	1.7
81.03406	4.0
82.06576	3.9
85.02912	3.2
91.05485	17.7
99.04456	33.3
100.07611	3.3
102.74606	1.1
103.05470	4.6
105.07035	74.4
106.07382	1.4
115.05461	10.2
116.06242	2.4
117.07022	32.3
121.96635	16.6
127.03942	5.1
127.60033	1.1
128.06229	6.4
128.07071	1.6
129.07005	11.2
130.07796	39.9
131.08170	1.3
131.12288	1.1
143.08557	9.8
144.98232	2.0
145.04948	1.9
145.06506	1.8
145.10127	100.0
146.06091	1.5
146.08157	1.3
146.10510	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	143.1068
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
51.69690	2.1
53.03947	2.5
55.01865	3.0
55.05516	18.8
57.07076	16.2
59.04987	3.0
62.38334	2.1
65.03930	2.9
65.61238	1.9
67.05497	11.9
69.03436	15.6
69.07055	3.8
70.63004	3.0
70.63355	4.6
71.04993	100.0
73.06552	11.4
79.05482	7.4
81.07043	6.4
83.04987	11.6
83.08620	8.0
85.06543	39.6
91.05477	3.3
97.02922	9.5
97.10178	9.7
98.06029	4.0
105.07041	2.5
107.08607	31.0
115.05450	3.6
125.02361	8.8
125.03198	2.0
125.09631	10.5
128.06224	17.3
129.06932	2.3
142.64355	2.0
143.03400	72.6
143.08589	2.8
143.10690	4.1
151.32393	2.2
155.06041	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94996	0.7
53.03934	2.8
53.36564	0.7
53.60184	0.7
55.01879	1.7
57.03436	1.9
58.76009	0.9
62.92986	1.7
67.05502	1.5
67.83222	0.7
69.03425	2.4
70.95411	1.6
70.95737	0.7
71.04999	7.8
71.70218	0.7
73.09492	0.7
76.89439	0.8
79.05489	2.6
81.03409	3.0
85.02897	2.7
91.05493	15.3
99.03851	1.2
99.04468	17.2
100.07649	0.7
103.05497	4.2
105.07040	78.5
106.07371	1.5
115.05469	11.8
116.06261	1.9
117.06236	1.5
117.07030	27.7
118.06567	3.8
121.96642	1.8
124.30318	0.7
127.03944	2.3
128.06218	6.4
129.07033	11.4
130.07799	48.8
131.08125	1.3
143.08597	9.0
145.06551	2.7
145.10135	100.0
146.06033	1.6
146.10463	2.5
155.06041	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0857
Annotation	2-Methylnaphthalene
Peak:m/z	Relative Intensity
55.01877	0.9
65.03957	0.6
67.06273	0.4
69.03111	0.8
69.03430	4.2
69.70974	2.6
84.08144	1.1
91.05489	1.3
91.85403	0.5
97.02895	3.9
98.06075	1.3
100.23045	0.4
101.95024	0.9
103.05465	2.8
115.05453	10.9
125.02354	3.1
125.09581	0.5
127.05412	2.6
128.06230	100.0
129.06587	1.5
132.33820	0.5
141.06987	4.2
142.07312	4.8
143.03401	25.7
143.08577	40.8
144.05643	0.8
144.06639	0.6
144.08888	1.6
145.06494	3.9
154.68237	0.4
155.06046	9.0
161.13657	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0856
Annotation	2-Methylnaphthalene
Peak:m/z	Relative Intensity
50.42838	0.3
51.24513	0.3
54.24957	0.3
55.01867	0.4
55.05495	0.4
55.59858	0.3
59.13595	0.4
65.03910	0.5
69.03439	2.4
84.08134	1.1
84.63015	0.3
86.54766	0.3
91.05494	1.9
97.02914	2.3
98.06047	0.5
98.21523	1.5
103.05488	2.6
115.05468	9.4
116.06283	0.5
116.19384	0.3
125.02337	1.9
127.05431	2.2
128.06236	100.0
129.06557	3.0
141.06990	3.5
142.07310	2.9
143.03413	15.6
143.08588	34.9
143.11771	0.8
144.05751	0.8
144.08994	0.5
145.06497	3.8
155.06047	7.8
156.06535	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
56.05045	0.5
56.96581	1.0
57.03447	2.7
58.99867	2.1
59.97013	0.4
65.18846	0.4
68.98301	0.5
69.03436	1.6
70.06602	0.7
70.99860	5.7
71.49106	0.7
74.30213	0.4
77.00906	1.7
78.52982	0.9
81.04543	1.2
82.01454	0.6
82.99847	4.8
84.04499	0.4
84.08143	1.4
85.02904	1.7
85.06503	0.5
86.03664	0.5
88.02681	0.4
89.00889	1.9
95.01884	0.4
97.02911	1.3
98.06053	1.3
98.09689	0.7
98.97614	0.6
99.53432	0.5
100.02499	1.5
101.00888	51.9
102.00921	2.2
102.96891	0.6
103.02428	0.9
109.02902	0.6
113.00886	0.8
113.53223	0.9
115.02425	0.7
118.03543	0.9
119.01927	100.0
120.02002	4.3
121.01633	0.4
124.02441	0.8
125.02347	1.1
125.07185	0.6
131.01897	1.2
133.03471	0.9
137.02966	13.0
138.03070	0.9
141.02696	0.7
142.03494	2.6
142.95497	0.4
143.01927	4.6
143.03418	8.7
144.05017	0.6
144.06577	0.8
144.10304	0.5
161.02950	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32160	2.1
52.96859	1.9
55.01854	2.2
56.96563	4.1
65.92426	2.1
66.40162	1.9
69.03454	2.2
70.73081	6.3
70.99844	5.9
73.35223	2.3
80.13940	2.0
81.04562	2.6
82.99841	5.9
89.00888	2.5
98.97580	3.6
100.02518	3.0
101.00883	64.0
104.12260	2.2
106.98306	2.1
118.03564	2.9
119.01927	100.0
124.02435	3.4
137.02963	11.3
142.03488	15.7
143.03401	7.7
160.04601	4.1
161.02966	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96957	5.2
65.11427	4.3
70.90901	10.6
82.99842	6.2
86.53340	4.8
101.00890	64.8
119.01934	100.0
124.02466	5.8
128.49559	6.1
130.89668	4.7
132.32846	4.2
137.02971	12.2
142.03487	17.5
148.35429	4.5
150.54323	5.0
151.26871	4.1
153.08580	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	142.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
68.20541	5.0
70.40738	18.0
82.99871	15.9
100.02538	5.0
101.00889	79.1
117.63951	4.9
119.01931	100.0
119.02730	8.6
124.02421	5.2
130.18123	4.6
137.02948	10.4
142.03513	23.6
160.04535	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	142.0864
Annotation	Ethosuximide
Peak:m/z	Relative Intensity
51.16785	1.4
53.03950	2.0
55.01871	3.9
55.05509	8.0
56.05037	1.7
57.03425	3.3
58.06599	8.9
59.93100	6.7
66.95874	1.6
68.05022	4.0
69.03154	1.3
69.03439	17.3
69.07066	18.4
70.34736	3.2
70.35118	3.2
71.01356	1.4
71.05001	2.3
71.08634	79.2
72.04493	1.6
72.08162	2.3
79.01868	1.4
79.05501	9.9
81.05804	2.1
81.07057	4.5
83.01344	2.1
84.08141	3.0
96.04494	4.5
96.05267	1.4
96.08136	23.3
97.02889	17.0
97.06549	15.5
99.29793	1.3
101.95030	3.1
112.12322	1.4
114.09174	40.3
115.05446	3.1
118.96755	8.2
119.01955	3.3
124.04000	1.8
124.07576	4.4
125.02370	11.5
125.05996	5.9
128.06212	5.9
141.07016	4.8
142.04987	3.9
142.07715	2.5
142.08652	25.2
142.12280	2.4
143.03398	100.0
143.08588	2.3
150.95749	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.4
53.03927	0.9
55.01862	3.2
55.05503	1.2
56.96570	7.1
57.93565	3.8
66.04707	1.5
67.05495	2.0
68.04995	0.9
69.03416	2.2
70.06584	1.8
70.98880	1.9
71.04998	1.0
71.95261	2.0
79.01842	1.7
81.07042	1.2
82.04201	1.4
93.03422	0.8
94.06564	5.3
95.04968	1.1
97.02893	54.9
98.97588	28.0
107.01311	5.4
110.03671	6.1
111.04488	1.5
112.03995	1.8
112.04726	1.4
112.07579	1.6
113.02383	1.8
115.05457	1.2
116.97262	6.4
116.98619	16.7
116.99443	1.4
122.06020	2.4
125.02354	100.0
126.02750	1.5
134.99634	5.2
140.03462	2.7
140.04671	31.6
140.06998	3.2
140.10655	2.9
141.01857	1.8
141.06964	1.8
148.96158	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20201	1.0
55.01875	1.2
56.05059	0.9
56.96570	21.3
57.93582	6.6
58.06592	1.3
60.98159	1.2
65.03938	2.3
66.04252	1.2
67.05511	31.7
69.03439	26.9
69.03816	1.3
69.07079	17.4
69.72134	6.1
70.06582	2.3
71.95274	8.5
74.09735	1.8
81.03413	2.5
84.08150	6.5
88.83214	1.1
94.06575	17.7
95.04975	21.6
95.08602	1.4
96.04468	1.4
97.02900	2.3
98.97594	100.0
109.02881	3.2
112.03994	1.3
112.07620	42.9
113.02370	3.0
113.06025	8.6
116.97307	12.7
116.98631	51.8
122.03213	11.4
122.04051	1.5
122.06046	6.3
123.04501	2.1
125.02396	2.8
134.99670	14.8
138.05473	2.0
140.00180	1.2
140.03445	2.3
140.07050	10.3
140.10718	1.4
141.01814	1.8
141.05443	1.2
153.00751	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	17.5
62.88225	0.4
63.57513	0.5
70.51653	1.0
70.52026	1.2
71.95267	6.1
72.89901	0.5
91.05717	0.5
98.20927	0.6
98.97587	100.0
116.98626	37.5
134.99666	6.5
135.03227	0.7
140.00256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96305	1.1
56.96574	22.2
57.93572	10.1
67.05516	1.3
67.93581	0.8
70.06598	1.3
70.07790	0.9
70.08186	1.8
70.40208	0.7
71.95273	7.5
74.09708	1.0
94.06583	5.0
95.04999	1.4
98.97594	100.0
102.54746	0.6
112.04022	1.5
112.07626	2.2
113.02374	2.1
116.97289	17.7
116.98626	55.3
122.06052	2.4
128.03452	1.0
134.99667	20.0
136.34358	0.6
140.00238	1.5
140.03432	2.3
140.07072	2.5
140.10736	1.4
141.01874	1.5
148.96191	0.9
153.00687	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Salicylate
Peak:m/z	Relative Intensity
53.03944	1.0
55.01862	0.9
55.05520	1.8
56.96342	0.3
56.96570	3.0
57.93560	1.0
65.03945	11.5
67.05507	2.3
68.05009	0.3
68.99789	0.5
69.03432	2.3
69.07067	1.2
70.06586	0.4
71.49539	0.2
71.95271	1.2
74.09702	0.2
79.05495	0.9
81.04542	0.5
81.07047	0.4
83.04983	2.6
84.08115	0.4
88.55315	0.2
91.05480	0.9
93.03410	4.7
93.04524	0.8
93.07036	1.9
94.06589	1.7
95.04974	3.5
95.06104	0.5
95.06898	0.2
95.08617	0.6
96.04501	0.3
96.05264	0.2
97.02901	0.9
97.06548	1.4
98.03680	0.5
98.89823	0.2
98.96936	0.5
98.97588	8.6
98.98463	2.7
105.04485	0.3
107.29350	0.2
111.04451	7.0
111.05628	0.3
111.06419	0.2
111.08092	1.0
112.07606	2.0
113.06065	0.3
116.97298	1.7
116.98625	5.8
119.75078	0.2
121.02876	100.0
121.03920	5.5
121.10139	0.4
122.03201	2.3
122.06071	0.5
134.99673	2.2
139.03912	4.3
139.05019	1.1
139.05893	0.9
139.07487	1.4
139.08525	0.3
139.11197	0.9
139.12312	0.8
140.03456	0.4
140.07018	0.8
149.39864	0.2
153.00743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03941	1.4
55.01858	1.3
55.05515	3.9
55.24675	0.5
56.96570	9.1
57.93550	2.1
65.03618	0.7
65.03944	12.3
67.05499	1.4
68.99446	0.8
68.99792	13.0
69.03447	4.9
69.07052	0.6
70.06599	0.8
71.01342	2.4
71.51122	0.8
71.95257	1.0
79.05479	0.7
81.04503	0.6
81.07055	0.6
83.04986	12.5
83.06069	0.6
90.42848	0.4
91.05472	2.1
93.03397	3.7
93.04530	2.0
93.07057	3.7
95.04962	1.7
95.06064	0.9
95.08603	1.1
97.02873	0.7
97.06524	2.0
98.97578	12.9
98.98465	7.4
111.04448	100.0
112.04023	0.7
112.04788	1.6
116.97240	3.5
116.98620	7.3
121.02876	1.5
121.04018	5.2
121.06489	5.1
121.10120	1.1
124.05210	4.3
132.58295	0.5
134.99684	2.0
139.03925	23.4
139.05020	2.9
139.07539	4.7
139.11180	1.1
140.00249	1.0
140.03435	1.0
140.07057	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Gentisate aldehyde
Peak:m/z	Relative Intensity
52.88431	0.6
53.03958	1.4
55.01874	1.6
55.05516	2.7
56.96564	7.4
57.93570	1.9
58.74977	0.6
65.03944	76.1
66.04276	1.6
67.05510	2.6
68.05051	0.5
68.99799	1.0
69.03426	1.6
69.07083	0.9
70.06599	0.9
70.43459	0.7
71.95273	2.1
79.05513	1.5
81.03394	0.4
81.04550	1.3
81.07059	1.0
83.04984	3.9
91.05476	2.0
93.03409	54.1
93.04559	1.7
93.07059	2.8
94.03752	0.8
94.06572	2.2
95.04977	6.1
95.08620	0.8
97.02899	1.5
97.06527	2.1
98.96938	1.1
98.97591	23.0
98.98473	5.9
105.07000	0.4
106.62656	0.5
111.04446	100.0
111.08060	1.3
112.04023	0.7
112.04774	1.8
112.07629	1.0
116.97289	3.5
116.98620	13.1
116.99454	0.9
121.02878	36.6
121.03959	4.3
121.06488	1.0
121.10107	0.6
122.03245	0.6
134.06085	0.6
134.99673	3.9
139.03943	12.4
139.05011	2.0
139.05855	1.6
139.07510	2.5
139.08568	0.8
139.11179	1.5
140.00232	0.5
140.07010	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03955	2.9
53.31911	0.8
54.61895	1.0
55.05521	6.9
57.07081	9.7
59.54844	0.9
65.03947	2.9
65.04295	0.9
66.04712	1.2
67.05511	31.5
69.03432	2.0
69.07065	7.5
69.43668	7.8
71.08640	1.4
79.05070	1.6
79.05499	16.3
79.56708	1.1
81.07064	82.6
82.07410	1.4
87.25864	1.3
91.05494	8.4
93.07043	9.2
94.04180	7.2
95.04949	2.4
95.08615	100.0
96.08955	2.4
97.57785	1.1
98.20705	1.7
107.04988	1.1
108.09360	1.0
109.06522	6.1
109.10169	8.0
119.08645	1.0
122.03676	11.3
122.07303	1.6
131.06270	1.1
137.02478	2.7
137.05901	18.9
137.09642	5.2
137.13303	9.9
138.05534	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	137.1326
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03943	2.6
55.05511	5.5
57.07085	13.1
64.31077	1.0
65.03930	2.1
66.04720	1.6
67.05510	31.6
69.07066	6.7
70.03493	3.4
73.03806	0.9
79.05496	14.6
79.56181	1.0
81.07062	75.7
87.74660	0.9
91.05488	8.2
93.07041	8.9
94.04196	9.0
95.04960	2.5
95.08614	100.0
107.08621	1.1
109.06493	4.5
109.10148	8.9
116.48453	1.1
119.08609	1.0
122.03655	10.3
135.52899	1.0
137.02454	3.5
137.03427	1.0
137.05951	21.9
137.09608	3.2
137.13260	10.8
138.05493	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0915
Annotation	N,N-Dimethylaniline N-oxide
Peak:m/z	Relative Intensity
51.02381	0.5
53.03952	2.8
55.01866	0.6
55.05508	1.1
56.96563	0.9
57.73789	0.4
62.79441	0.4
63.77689	0.3
65.03665	0.4
65.03955	3.4
67.04228	0.4
67.05133	0.4
67.05512	2.3
68.05032	0.7
68.05834	1.0
68.64034	0.4
69.03433	1.1
69.07066	0.5
71.23844	0.9
77.03894	0.6
79.05129	0.5
79.05505	4.7
80.05035	2.1
80.05838	0.9
81.03421	0.8
81.05799	0.7
81.07051	1.4
82.06588	2.2
82.07387	1.8
83.05008	1.0
91.05468	4.3
92.05006	1.1
92.05814	1.2
93.03427	0.8
93.05772	1.1
93.07059	7.7
94.04187	1.4
94.06578	12.4
95.04456	2.7
95.05058	2.7
95.07364	11.3
95.08611	1.3
96.04508	1.2
96.08193	0.9
96.08938	1.6
97.06558	0.6
98.98486	2.1
105.04507	0.9
108.04517	0.8
108.08147	0.4
109.05257	1.3
110.06075	3.7
110.06818	0.6
110.09706	5.4
110.10429	0.7
111.04456	2.5
120.04470	1.7
120.08110	1.2
121.02882	1.2
121.03995	0.6
121.06501	0.9
122.06030	3.3
123.03998	4.8
123.06824	38.7
124.07148	0.8
129.96521	0.4
136.07574	4.0
138.01787	1.4
138.05501	10.5
138.06364	7.0
138.09151	100.0
139.03891	1.2
139.04933	0.5
139.07532	0.7
139.09480	1.2
139.11211	0.5
140.07085	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	137.1325
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
51.32079	0.9
53.03936	2.6
55.01866	1.2
55.05515	6.0
55.63182	1.0
57.07078	10.4
63.44068	0.9
65.03927	2.1
66.04697	2.3
67.05508	29.4
68.99802	2.0
69.03419	2.2
69.07068	9.4
71.11143	1.2
71.11475	1.2
73.71624	0.8
79.05074	1.4
79.05495	20.8
81.03429	2.3
81.07059	88.5
82.07393	2.4
91.05484	10.1
93.07036	8.9
94.04194	8.5
95.04976	2.4
95.08613	100.0
96.08926	1.6
102.42081	0.9
107.04945	1.3
109.06512	10.9
109.10147	6.9
112.30556	1.0
114.70543	1.1
119.04929	1.8
122.03662	10.1
122.07303	2.2
136.86784	0.8
137.02448	2.6
137.05942	24.6
137.09589	4.2
137.13266	9.2
138.05508	3.4
138.09074	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
52.22970	0.6
53.03947	2.0
55.05511	5.9
55.19750	0.7
57.07081	10.0
65.03942	1.4
67.05510	27.3
69.07069	7.7
69.64568	4.0
79.05501	10.0
81.07061	75.1
82.07404	1.1
91.05478	4.6
93.07054	6.7
94.04191	2.7
95.04974	1.6
95.08613	100.0
96.08972	1.7
107.08613	0.9
108.09377	1.1
109.06532	2.3
109.10170	6.8
110.06003	0.8
119.08656	1.0
120.03811	1.3
122.03636	2.9
122.07289	1.1
137.02499	2.8
137.06004	8.3
137.09624	2.5
137.13280	9.1
138.05536	0.8
138.09166	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
51.23985	0.8
53.03945	2.0
55.05522	4.7
57.07081	9.5
57.21415	1.0
61.39561	0.8
65.03944	2.7
67.05511	26.7
69.03419	1.0
69.07066	7.7
69.83681	5.0
75.43272	0.8
79.05498	11.3
81.07064	75.7
82.07388	1.7
91.05473	4.1
93.07046	7.8
94.04168	2.1
94.46793	1.0
95.04975	1.6
95.08616	100.0
96.08929	2.2
107.08608	1.4
109.06519	2.7
109.10180	5.7
122.03668	2.1
132.60320	1.0
137.02454	2.8
137.05823	7.4
137.09593	3.0
137.13271	9.8
138.05550	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
50.60587	0.5
51.02388	0.6
51.69618	0.5
51.77591	0.6
52.03182	0.5
53.03944	2.7
55.01883	1.6
55.05518	3.6
57.53176	0.5
57.71862	0.6
59.96013	0.5
65.03960	2.1
66.04730	2.6
67.05511	30.0
69.03429	2.9
69.07076	2.4
70.64243	1.7
70.64597	0.6
77.03956	1.0
78.04713	0.6
79.05499	8.5
81.03425	0.9
81.07066	18.5
84.14651	0.5
84.95229	0.5
85.81483	0.5
91.05491	19.0
93.07057	4.4
94.04194	26.9
94.07850	1.3
95.05002	3.4
95.08613	14.3
97.13351	0.6
103.05471	1.2
104.06239	1.3
105.04552	1.0
107.04965	24.2
107.08604	2.0
109.06542	4.5
109.10168	33.9
114.18089	0.5
117.07023	3.0
119.04916	0.6
119.08597	18.4
121.06517	8.8
122.02750	1.3
122.03664	36.5
122.07296	100.0
123.07589	1.3
133.23491	0.5
135.08057	4.5
137.05986	58.1
137.09627	92.4
138.05469	0.9
138.06377	0.9
138.09988	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03956	6.2
55.01856	2.3
55.05505	3.3
57.07075	1.4
65.03932	4.7
66.04733	7.5
67.05509	45.2
69.03425	5.8
69.07063	4.6
71.10725	1.5
71.11073	1.9
77.03941	2.3
79.05509	18.3
81.03413	1.5
81.07066	31.4
91.05489	22.7
93.07058	9.2
94.03615	2.6
94.04197	47.1
94.06010	1.2
95.04983	7.3
95.08060	2.0
95.08614	22.8
96.19080	1.2
103.05446	1.6
105.04497	1.7
107.04960	22.3
107.08596	3.4
109.06518	10.4
109.10170	40.5
119.04990	1.4
119.06142	1.3
119.08588	15.0
121.06541	6.9
122.03661	65.1
122.07301	88.4
123.07585	2.0
132.97707	1.4
135.08037	2.5
135.58778	1.2
137.02498	1.8
137.05983	100.0
137.09631	87.8
137.13269	1.9
138.10030	1.8
155.60211	1.4
155.86046	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03959	5.6
55.01879	2.1
55.05515	10.9
57.03427	1.2
57.07066	1.1
58.90351	0.8
61.19839	0.9
63.25747	0.9
65.03953	4.7
66.01589	0.8
66.04726	6.3
67.05509	43.6
69.03432	13.5
69.07066	2.5
71.50651	1.0
77.03918	1.6
79.05076	1.5
79.05501	23.9
81.03406	1.6
81.07063	41.1
91.05489	15.2
93.07039	6.4
94.04195	39.3
94.07838	1.7
95.04993	5.8
95.08613	20.7
105.04536	1.5
107.04957	7.1
107.08580	3.2
109.06526	21.0
109.10170	21.7
111.08063	2.7
116.54913	1.0
116.85324	0.8
117.07076	1.3
119.08595	4.3
121.06487	1.9
122.03659	55.8
122.07295	21.1
122.08170	1.3
123.04045	1.2
129.44284	0.8
131.03757	0.8
135.04419	0.8
137.05984	100.0
137.09622	37.8
138.05478	4.9
138.06407	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03933	4.8
55.01864	2.1
55.05513	9.2
57.03450	2.0
57.07065	1.8
65.03930	5.5
67.03619	1.2
67.05508	39.9
69.03419	5.1
69.07058	3.8
71.37899	2.3
72.55328	1.3
79.05491	18.7
79.06189	1.4
81.03419	6.7
81.07060	36.1
82.07361	1.4
91.05479	24.7
92.05824	1.5
93.07048	14.1
94.04191	12.2
94.06586	2.4
95.04369	2.9
95.04968	34.1
95.05940	1.3
95.08612	35.8
105.04457	1.5
107.04953	4.5
107.08588	2.2
109.06524	22.0
109.10156	18.3
116.84589	1.3
119.04990	2.6
119.08607	6.1
120.04504	1.8
121.06493	10.3
122.03663	13.3
122.07291	43.3
137.02516	10.1
137.03426	2.1
137.05859	36.9
137.09621	100.0
137.13243	2.5
138.01793	1.9
138.05508	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	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03944	8.4
55.01868	2.3
55.05503	5.8
57.03432	2.5
61.40245	1.5
63.03450	1.6
65.03934	4.7
66.04720	5.8
67.05509	41.4
69.03433	12.6
69.07052	3.6
69.53549	1.2
71.11020	2.7
79.05500	30.9
81.03391	2.2
81.06588	2.5
81.07061	43.5
91.05486	29.1
93.07060	10.6
94.04192	36.1
95.04571	1.1
95.04993	11.5
95.08619	8.9
103.05412	2.4
105.07053	2.6
107.04945	12.4
107.08593	10.3
109.06519	26.9
109.10165	22.6
117.07019	5.1
119.06154	1.6
119.08596	20.1
121.06519	4.3
122.03661	41.5
122.06454	2.5
122.07294	38.8
137.05989	93.2
137.09624	100.0
138.05524	3.5
138.09981	2.3
159.65756	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44227	0.7
53.03954	4.1
55.01869	3.7
55.05278	0.8
55.05519	10.7
57.03431	1.2
57.07082	0.8
58.34131	0.8
65.03947	5.1
66.04719	6.5
67.05510	45.9
68.05852	0.7
68.16882	0.7
69.03438	11.4
69.07063	2.9
71.49589	1.4
77.03931	1.5
78.03442	3.1
79.05497	20.1
81.03432	2.1
81.07063	35.9
91.05489	19.7
93.07050	8.7
94.04193	40.4
94.06546	2.1
94.07837	1.1
95.04990	9.3
95.08610	17.4
96.04505	3.9
105.03432	0.9
105.04484	1.0
105.07024	0.8
105.40991	0.8
107.04975	8.1
107.08588	2.9
108.04469	2.5
109.06531	15.5
109.09472	1.4
109.10168	19.3
110.06047	1.6
111.08075	2.1
117.07005	1.2
119.04937	1.8
119.08584	6.1
121.06490	2.0
122.03661	52.3
122.07293	21.6
123.03987	1.7
124.03964	1.0
135.08076	0.9
137.05981	100.0
137.09624	36.5
137.10504	1.0
138.05507	32.5
138.06352	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03952	1.4
55.01891	0.8
65.03947	2.0
65.24659	0.5
65.58286	0.6
66.04727	7.1
67.05505	2.7
69.03425	0.8
69.45809	3.4
69.46134	0.5
71.04810	0.4
77.03952	1.0
79.05505	6.8
80.05801	0.5
81.07063	6.0
81.55808	0.5
91.05479	5.7
93.07053	0.9
94.04195	48.6
95.04472	0.6
95.05004	0.9
95.08615	3.0
98.20779	1.0
104.63727	0.4
105.03371	0.6
105.04523	0.8
107.04975	2.4
109.06505	2.4
109.10188	1.2
116.68098	0.5
119.08620	0.5
122.03659	64.4
122.07264	1.3
123.03983	1.4
128.13498	0.4
137.05986	100.0
137.09610	1.6
138.06383	2.2
143.45502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02389	0.8
53.03949	1.9
53.30657	0.3
55.01877	0.5
55.05497	0.4
56.51905	0.3
65.03944	1.8
66.04725	6.9
67.05508	3.0
69.03445	0.4
69.07056	0.4
69.68251	1.7
69.87817	0.3
77.03912	0.9
79.05499	5.5
81.03425	0.5
81.07064	5.1
91.05483	5.0
93.07040	0.5
94.04190	47.7
95.04467	0.5
95.04974	1.4
95.08608	2.2
98.20688	0.4
105.03410	0.7
105.04533	0.6
107.04965	2.8
109.06507	2.2
109.10156	2.5
119.08638	0.7
122.03656	66.7
122.07275	3.6
123.04009	1.0
131.14713	0.3
135.04385	0.9
137.05983	100.0
137.09528	2.6
138.06375	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03955	4.7
55.01857	0.7
55.05500	0.9
65.03933	2.8
66.04723	5.0
67.05509	3.7
69.03432	8.1
70.42688	2.6
77.03931	0.9
79.05499	19.5
81.03397	0.7
81.07066	25.3
91.05485	8.7
93.07053	1.6
94.04192	36.2
95.04968	2.5
95.08580	1.0
96.04485	2.1
98.21557	0.9
104.95061	0.7
107.04960	2.5
109.06522	17.8
109.10166	1.6
119.04930	1.0
119.08600	0.9
121.36614	0.8
122.03660	51.4
122.07279	2.2
124.03962	1.2
137.05986	100.0
137.09607	6.7
138.05438	1.0
138.06351	1.2
143.21825	0.8
147.71936	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03951	5.4
55.01887	0.7
55.05498	0.9
65.03944	3.4
66.04725	4.2
67.05508	6.1
69.03438	12.7
70.49593	2.1
77.03941	0.9
77.98358	0.7
79.05502	25.2
81.07065	38.4
82.07388	0.8
91.05490	10.3
93.07052	2.1
94.04197	30.4
95.04967	2.6
95.08602	1.6
101.51755	0.7
107.04976	3.5
107.08587	1.3
109.06529	24.5
109.10166	1.9
119.04955	0.8
119.08585	1.8
121.06544	1.7
122.03660	43.4
122.07281	3.9
123.04015	1.2
124.04113	0.7
137.05989	100.0
137.09608	9.5
138.06323	2.2
138.09964	0.6
159.20694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03938	2.0
55.01871	0.8
59.41621	0.6
59.96439	0.7
65.03935	2.1
66.04728	8.5
67.05483	0.9
69.45995	4.6
72.54331	0.7
77.03941	1.2
79.05498	4.7
81.07078	1.9
91.05469	4.4
94.04195	58.2
95.05025	0.9
107.04961	2.7
107.59853	0.7
110.99900	0.7
122.03660	73.6
135.04369	0.7
137.05989	100.0
138.06313	1.6
138.14264	0.7
146.19540	0.7
151.80629	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02364	0.8
53.03953	2.5
55.01869	1.0
55.05490	0.9
65.03947	2.4
66.04726	7.1
67.05511	4.0
67.71942	0.5
68.45900	0.5
69.03427	2.8
69.07045	0.6
71.50366	0.6
75.02126	0.5
77.03918	1.5
79.05498	9.7
81.03421	0.6
81.06610	0.6
81.07063	12.9
90.70374	0.5
91.05494	6.8
93.07021	1.5
94.04192	49.2
95.04436	0.5
95.04964	2.9
95.08607	4.3
105.03399	0.9
105.04501	0.8
107.04945	2.6
108.06976	0.5
109.06528	6.4
109.10160	1.2
119.08586	1.1
120.03879	0.6
122.03658	65.5
122.07253	1.2
123.04025	0.9
135.04369	0.7
137.02557	3.0
137.05971	100.0
137.09581	3.4
137.13190	0.6
138.05460	1.3
138.06332	1.2
138.09094	0.5
142.70549	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02359	1.2
53.03938	5.4
55.01863	1.6
55.05517	12.4
63.25710	1.2
65.03932	4.6
66.04715	4.6
67.05509	44.7
69.03084	1.8
69.03434	17.3
69.07072	3.1
69.64740	1.2
71.29257	2.4
71.29613	1.5
79.05499	27.4
81.06594	2.7
81.07063	48.3
91.05501	13.9
93.07061	8.4
94.04197	40.5
95.04986	8.4
95.08611	22.5
105.04532	1.3
107.04949	6.7
107.08578	2.7
109.06535	21.6
109.10161	17.6
111.08080	2.1
114.53140	1.2
118.59477	1.4
119.08573	4.6
122.03660	48.6
122.07291	14.8
125.23247	1.3
137.05984	100.0
137.09619	33.2
137.10570	1.0
138.05464	3.2
138.06383	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0758
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
50.60119	1.2
51.02377	2.5
53.03715	1.6
53.03949	24.1
55.01866	2.4
55.05502	2.7
57.61348	1.2
58.02952	4.7
59.27694	1.0
64.99276	1.1
65.03941	7.7
66.04716	4.0
67.05511	10.4
69.02857	1.1
69.03438	2.0
71.51175	1.9
77.03931	4.9
78.04710	2.5
79.05499	9.1
80.05015	5.8
80.05821	3.9
81.03427	2.7
81.07062	13.0
81.72041	1.0
91.05486	66.9
92.05814	5.9
93.05788	10.9
93.07052	28.9
94.04188	25.9
94.06569	3.7
94.07376	7.3
95.04977	20.4
95.08599	5.2
105.04520	12.9
106.07377	3.1
107.04938	1.4
107.08591	2.8
108.04480	5.2
108.08122	14.8
108.08932	13.6
109.01107	6.9
109.06519	4.2
109.10155	3.4
116.05754	1.3
118.06561	5.1
119.03553	10.9
119.04955	1.6
119.07335	6.0
120.08928	1.6
121.06547	1.6
122.02753	1.6
122.03655	36.2
122.07281	3.1
126.05502	7.9
136.02173	63.3
136.03851	2.7
136.04872	3.2
136.06201	78.7
136.07581	100.0
136.08377	3.9
136.11118	1.7
136.12053	3.9
137.02426	1.9
137.04648	4.1
137.05975	56.0
137.07790	2.1
137.09628	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	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
58.99847	0.2
67.02982	0.4
70.71885	0.5
81.73454	0.2
84.09323	0.2
92.02487	0.8
94.04060	4.1
109.05145	0.7
112.05094	0.3
113.00890	1.5
119.03558	13.9
131.01912	2.8
133.76486	0.2
134.41681	0.2
136.06195	100.0
137.04604	4.8
137.06648	1.0
149.02998	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0758
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
51.02380	3.0
53.03950	22.3
54.04289	1.3
55.01880	3.1
55.05510	2.1
55.44601	1.0
63.59631	1.0
65.03940	8.3
66.04723	2.6
67.05506	9.0
68.05029	2.1
69.03437	2.8
70.02974	1.7
71.04420	0.9
71.04768	2.3
76.04845	0.9
77.03937	5.4
78.04723	2.3
79.05488	8.4
80.05029	6.2
80.05824	2.5
81.03416	3.0
81.07063	14.3
82.03008	1.1
83.06785	1.0
91.05488	60.5
92.05812	6.1
93.05802	11.0
93.07049	22.7
94.04186	16.5
94.06580	2.3
94.07391	6.6
95.04980	19.2
95.08619	3.5
105.04531	9.3
106.07361	2.5
107.04989	2.2
107.08608	1.9
108.04490	4.6
108.05251	1.8
108.08132	14.2
108.08932	11.1
109.01107	3.0
109.06528	6.5
109.10170	1.9
110.06057	1.0
118.06563	2.8
119.03556	9.9
120.08954	1.3
121.06597	1.5
122.03656	21.9
122.07362	1.2
124.98125	1.0
126.05531	8.8
136.02174	31.9
136.03935	3.5
136.04991	2.5
136.06210	62.5
136.07588	100.0
136.12030	2.4
137.02457	1.2
137.04654	2.9
137.05974	36.5
137.07919	1.8
137.09633	4.3
144.10590	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01860	0.4
55.05527	0.3
55.40567	0.3
56.96567	2.0
58.99862	2.6
65.03920	0.4
69.03451	0.3
69.50848	1.2
69.51251	0.7
77.00899	1.0
79.05474	0.3
80.04961	0.3
80.51054	0.8
81.50937	0.8
82.01438	0.8
85.01399	0.9
88.51714	0.4
89.51584	2.1
90.01608	0.6
90.51451	2.1
91.05496	0.5
91.91501	0.3
92.02630	1.3
93.01891	0.3
93.03416	0.5
93.05772	0.6
94.99847	1.0
95.04959	0.3
96.01669	0.3
98.97592	0.3
100.02489	2.5
101.00903	0.9
101.02351	0.4
102.02232	0.7
103.02435	1.9
108.04462	0.4
109.01079	0.4
109.97898	0.4
110.52680	2.8
113.00876	21.6
113.01587	1.3
114.00961	0.5
115.01181	0.4
115.02448	0.4
118.03543	1.6
118.06570	0.4
118.98468	1.0
119.01960	2.1
119.03530	0.8
120.02106	0.4
120.08147	0.4
121.03529	0.7
121.06516	0.3
121.48721	0.9
122.02161	1.2
123.00388	0.5
124.52416	3.6
125.02542	0.4
127.98972	1.4
129.00398	0.5
130.49208	4.2
131.01913	100.0
132.02019	3.0
133.52921	1.6
136.02188	4.7
136.03941	0.4
136.06192	7.1
136.07578	1.9
138.99913	0.3
139.49756	7.2
139.99741	0.9
142.00043	0.5
145.03458	0.5
147.01353	0.4
149.02974	17.9
150.03189	0.4
151.00534	0.6
154.03513	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02383	0.7
53.03950	9.8
55.01871	2.8
55.05517	10.3
57.07076	0.7
60.70636	0.6
65.03948	2.9
67.05515	4.0
69.07076	3.7
70.95499	1.0
70.95831	0.7
77.03943	2.0
79.05497	28.8
81.07051	5.0
89.03920	2.2
91.05487	52.3
92.02616	1.6
92.05788	1.2
92.06297	0.8
93.07049	47.9
94.07333	0.7
94.07861	0.8
95.04977	6.8
95.08603	0.8
103.05488	3.9
105.04519	4.4
105.07037	28.2
106.04205	1.8
107.04966	4.2
107.08598	100.0
108.08947	1.6
109.06532	7.0
115.05460	4.2
117.07011	4.2
119.06086	6.4
119.08591	10.2
120.05732	0.8
120.08615	0.7
120.09332	3.3
133.10104	0.9
135.04434	8.9
135.08055	11.5
135.11696	22.6
136.02185	6.2
136.06201	7.5
136.07625	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02361	1.0
53.03952	8.5
55.05515	13.0
61.09563	0.7
62.78694	0.7
65.03930	3.2
67.05517	5.3
69.07082	4.7
69.42429	3.7
69.42839	1.7
75.72678	0.7
77.03915	3.2
78.04741	0.8
79.05495	25.3
81.03429	0.9
81.07069	4.6
91.05487	39.4
93.07050	64.9
94.07851	1.1
94.21161	0.7
95.04977	6.5
103.05484	1.3
104.76922	0.8
105.04496	3.4
105.07043	17.4
106.04189	0.8
107.04946	2.9
107.08599	100.0
107.20613	0.8
108.08883	1.1
109.06537	4.8
115.05447	2.5
117.07013	3.1
119.06066	4.0
119.08591	7.4
120.09357	2.1
120.51405	0.9
135.04440	7.9
135.08087	5.2
135.10709	1.4
135.11696	20.8
136.02148	2.6
136.06181	3.8
136.07564	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02379	1.5
53.03946	8.8
55.01873	1.6
55.05316	0.7
55.05518	8.7
57.04017	0.9
57.07076	1.6
65.03947	3.0
67.05502	3.6
69.07059	1.9
69.48093	5.8
72.21497	0.9
75.16267	0.7
76.01901	0.9
77.03930	2.2
79.05501	25.6
80.71797	0.8
81.03378	0.9
81.07056	3.1
91.05490	72.7
92.02644	0.8
92.05788	1.4
92.06313	1.0
93.07050	51.4
95.04981	7.6
95.08589	1.3
103.05470	1.9
104.06262	1.6
105.04543	4.3
105.07040	31.9
106.04188	1.5
106.07874	1.0
107.04962	3.3
107.08602	100.0
108.08920	1.9
109.06525	8.1
115.05461	11.5
117.07030	8.4
119.03568	0.9
119.06071	6.5
119.07815	1.3
119.08597	18.2
120.09376	7.6
133.10179	1.6
135.04437	5.6
135.08064	20.9
135.11708	25.3
136.02138	2.2
136.06195	5.3
138.57477	0.8
153.88547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.65384	0.8
53.03712	0.9
53.03946	10.1
55.01863	1.0
55.05272	0.9
55.05514	14.1
55.11428	0.7
57.07056	1.0
65.03926	2.2
67.05501	2.3
69.07073	4.8
69.47171	3.7
69.47595	2.4
72.55025	0.8
77.03921	3.0
77.25755	0.8
79.05072	1.6
79.05497	23.1
81.07050	5.0
91.05483	56.8
91.60920	0.8
92.02621	2.4
93.07047	65.6
94.07844	1.2
95.04964	8.3
95.08640	1.0
105.04549	4.6
105.07034	24.1
107.04992	1.1
107.08596	100.0
108.08949	2.0
108.09742	0.8
109.06503	6.1
115.05463	1.8
117.07015	3.3
119.06073	4.6
119.08578	11.0
120.09372	3.7
133.10155	1.5
135.04411	8.0
135.08095	5.3
135.11696	41.6
136.06145	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.19632	0.9
53.03952	7.0
55.05513	8.0
57.07064	2.6
63.82476	1.0
64.88406	1.0
65.03932	3.5
67.05499	2.6
69.07078	2.5
69.31384	4.5
69.31809	4.9
77.03921	3.8
79.05499	20.2
81.07047	2.2
91.05488	58.0
93.07047	52.3
95.05001	5.5
103.05454	1.4
105.04505	3.6
105.07040	31.2
107.08603	100.0
109.06506	5.1
112.02242	1.2
117.07011	2.3
119.06062	5.2
119.08583	15.1
120.09355	4.9
130.70914	1.1
133.10143	1.7
135.11707	26.8
136.06209	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	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.9
53.03953	7.3
55.01867	2.2
55.05515	11.4
57.07058	1.2
65.03927	3.1
67.05514	4.8
69.07074	4.0
69.63313	4.9
76.44103	0.7
77.03923	2.1
79.05495	30.4
81.03417	1.4
81.07057	3.9
89.03925	1.1
91.05483	49.9
93.07048	51.8
95.04977	6.0
103.05441	1.1
105.04542	4.2
105.07030	22.5
107.04969	4.1
107.08598	100.0
108.08924	2.2
109.06514	4.4
115.05446	4.7
115.64417	0.9
117.07033	5.0
119.03526	1.4
119.06079	4.7
119.08569	7.7
120.09381	3.9
133.10114	1.3
135.04434	5.5
135.05385	1.0
135.08070	8.4
135.11694	17.4
136.02158	6.1
136.06184	5.6
149.55550	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03957	8.3
53.04159	2.1
55.01868	2.7
55.05510	16.1
65.03933	3.8
67.05180	1.9
67.05506	25.8
69.07071	7.0
69.50393	8.2
73.44955	1.3
77.03932	2.5
79.05494	68.5
81.07053	26.0
91.05484	39.9
93.07045	100.0
94.07327	1.7
95.04971	8.3
105.04523	4.0
105.07030	13.0
107.04932	4.3
107.08598	82.9
108.08934	1.5
109.06520	3.2
115.05443	3.2
117.07017	5.3
119.06052	2.6
119.08577	5.1
135.04391	5.1
135.05334	1.2
135.08102	9.4
135.10797	1.9
135.11688	49.4
136.02145	7.7
136.03915	1.5
136.06178	13.3
136.07140	1.6
136.07616	1.1
136.12025	1.3
136.69450	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02402	1.7
53.03947	16.6
55.01867	3.0
55.05513	28.3
57.07063	2.0
58.95686	1.4
59.54668	1.3
65.03929	4.7
67.05507	12.3
69.07075	12.8
70.89383	3.0
77.03930	3.0
79.05497	67.9
81.07056	16.3
91.05488	72.5
93.07049	100.0
94.04029	1.5
94.07838	4.3
95.04975	13.8
95.08659	1.3
105.04546	7.6
105.07034	21.4
106.04240	1.7
107.04961	5.2
107.08603	95.0
109.06520	6.1
115.05485	6.9
117.07030	6.3
119.03551	6.4
119.06074	4.8
119.08584	6.0
120.09398	3.3
133.10135	1.7
134.28976	1.4
134.30035	1.3
135.04433	9.1
135.05505	3.2
135.08086	14.6
135.09082	2.7
135.11696	31.4
136.02171	19.1
136.06204	44.1
137.04587	3.2
152.63277	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
50.01589	0.9
53.03949	6.4
54.70685	0.9
55.01634	1.0
55.01877	14.1
55.05498	2.3
65.03941	10.3
67.05509	7.4
69.03436	13.2
70.75877	2.6
71.73863	0.8
77.03931	1.5
78.88501	0.8
79.05499	53.1
81.07069	1.7
91.05487	100.0
92.05774	1.9
92.06276	2.3
93.07058	14.1
95.04984	8.2
105.04566	1.6
105.07043	30.7
107.04967	5.5
107.08601	50.6
108.08911	1.0
109.06529	10.8
115.05466	29.5
115.06290	2.0
117.07033	18.9
119.03555	2.7
119.06087	9.8
119.08569	3.3
120.05746	1.6
120.09375	0.9
127.64529	0.8
135.04407	3.8
135.05353	1.0
135.08063	36.7
135.11688	5.0
136.02211	8.7
136.06192	19.6
136.07288	1.6
136.08472	1.1
140.65709	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0807
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
52.60176	1.2
53.03953	7.1
53.04164	1.3
55.01878	12.5
55.05511	1.8
59.26940	1.2
65.03949	8.6
67.05510	8.1
69.03435	12.3
69.32818	5.2
69.33238	4.3
76.17820	1.2
77.03905	1.6
79.05503	50.5
81.07058	3.4
81.95620	1.2
83.15259	1.1
89.03894	1.1
91.05491	88.8
92.06297	2.0
93.07050	23.0
94.04063	3.6
94.79105	1.2
95.04977	9.8
105.04531	3.7
105.06372	0.8
105.07040	29.8
107.04943	5.4
107.08605	55.9
108.04492	1.4
108.08899	1.4
109.05241	1.4
109.06538	11.0
114.29018	1.1
115.05474	27.1
117.07030	21.3
119.03561	12.7
119.06078	8.0
119.08596	2.6
120.05761	2.8
135.04448	7.5
135.05446	2.2
135.06577	1.7
135.08087	38.8
135.09125	2.9
135.11678	8.5
136.02184	16.1
136.06206	100.0
136.11249	1.6
137.03683	1.4
137.04584	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	134.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	10.3
58.06601	7.3
59.07384	7.1
59.07693	0.3
60.08168	4.9
69.68033	1.7
70.06581	0.3
72.08163	3.2
74.06085	20.1
74.09725	0.6
75.04490	2.2
75.06436	0.3
86.06104	0.7
88.04008	0.3
88.07632	0.6
90.09215	2.1
94.93008	0.3
98.21490	0.5
102.09187	100.0
103.09541	1.2
103.24373	0.2
104.87494	0.3
105.01206	0.3
111.82256	0.3
116.07085	0.9
134.05968	0.3
134.08173	0.8
134.11775	27.8
135.12132	0.6
136.73219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
50.01588	0.7
51.02383	5.6
53.03950	43.7
55.01879	3.2
55.05508	0.9
58.43353	0.6
61.82362	0.7
63.02385	0.9
65.03936	1.8
67.05504	1.5
68.86263	0.7
70.55195	1.8
70.55553	0.7
77.03930	13.0
79.05496	28.3
80.05788	0.6
81.03425	3.8
81.07063	0.8
89.03931	1.0
91.05484	18.2
92.02632	29.1
92.06264	1.0
93.02927	0.8
93.07046	5.3
94.04051	0.8
95.04974	38.5
98.21516	0.6
105.03448	5.6
105.04518	21.3
105.07030	5.8
107.04967	5.6
107.08598	11.1
108.55079	0.6
109.06535	1.3
115.05474	6.0
117.07042	2.7
119.06062	1.7
119.08599	1.9
120.02100	2.9
120.05701	0.7
135.04424	100.0
135.08058	32.6
135.11682	2.3
136.02173	2.6
136.04787	2.3
136.06197	4.8
136.07397	0.8
136.08426	0.6
138.03146	3.2
139.71745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
50.54928	1.9
51.02380	3.2
53.03713	2.4
53.03951	38.7
54.08967	1.6
55.01867	7.0
55.05497	4.2
57.26627	1.6
65.03963	11.1
65.45469	1.6
65.55191	1.6
67.01868	30.8
67.05493	4.9
69.07067	2.5
69.71273	1.7
69.83908	2.1
71.51189	3.0
77.03929	9.4
79.05497	99.1
81.03420	4.8
81.07043	2.2
91.05491	46.4
93.07049	22.6
95.01336	57.2
95.04971	29.5
105.04530	17.5
105.07043	14.3
107.04964	100.0
107.08595	37.1
109.06520	3.9
115.05486	13.4
117.07008	10.8
119.03539	3.0
119.05000	1.8
119.06058	3.7
119.08609	4.7
120.05740	4.0
135.04428	79.6
135.08057	36.7
135.11725	7.8
136.02142	9.8
136.06172	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	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64382	5.0
55.01863	7.7
56.96551	18.8
57.03446	36.9
58.99861	8.0
65.52168	5.7
69.03420	16.9
71.49014	9.1
72.52967	11.7
73.02931	12.6
75.74802	5.3
77.58744	5.3
79.05486	16.7
82.01441	26.0
82.99822	8.2
84.52956	6.3
85.02927	12.8
85.53723	12.9
86.52720	51.6
88.02679	21.7
88.51702	6.0
90.52943	6.8
91.05474	6.7
93.01907	7.0
95.53228	14.8
100.02502	52.5
101.00899	56.9
101.02586	8.6
102.00979	9.5
102.02390	11.2
103.00623	15.8
106.06602	9.1
107.04948	7.4
109.82206	6.1
111.02947	8.6
111.53470	5.9
113.00864	16.5
115.02431	11.5
116.98575	6.4
118.01129	7.1
118.03506	19.7
119.01934	100.0
119.97401	7.4
120.02008	31.1
120.04216	15.7
121.01659	19.9
124.02458	17.0
128.49507	10.6
128.97792	8.5
129.03996	14.9
131.01901	20.8
134.03676	13.9
134.04749	6.2
134.05994	18.3
134.07085	11.3
134.09631	6.1
135.04375	8.1
137.02950	13.2
137.50026	8.4
138.03070	6.7
140.04553	5.9
142.03513	78.7
143.01883	11.5
143.03624	18.5
144.03337	9.2
145.03497	8.3
145.06511	7.3
147.05057	9.2
154.03561	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03953	1.1
55.05517	3.5
55.14530	0.5
65.03938	0.8
67.05501	0.7
69.75815	0.5
71.09585	0.5
71.09906	0.8
79.05499	8.1
91.05486	22.7
93.07032	4.9
93.69174	0.5
95.04957	1.5
103.05463	4.6
103.09691	0.6
105.07036	63.9
106.07383	1.4
107.08576	1.2
109.06562	0.5
115.05457	7.7
116.06236	1.4
117.07019	9.6
118.07807	9.2
129.07019	1.1
131.08572	8.5
133.06570	2.6
133.10136	100.0
134.10468	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	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.5
53.03950	2.7
55.01871	0.5
55.05518	2.8
65.03952	1.3
66.04728	0.3
67.05515	1.1
77.03944	1.6
79.05500	11.1
81.04541	0.4
89.41435	0.3
91.05487	27.7
91.20763	0.3
92.05791	0.7
92.06298	0.4
93.07061	6.4
95.04979	1.9
103.05489	6.3
104.06300	0.4
105.03413	1.1
105.04560	1.0
105.07039	82.5
106.07358	1.9
107.08586	1.7
112.02209	1.1
115.05457	8.8
116.06277	1.5
117.07030	9.7
118.04176	0.4
118.07814	11.1
123.07934	1.4
129.07069	0.7
131.08580	9.4
133.02896	1.1
133.06563	4.7
133.10141	100.0
134.10471	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.42101	0.5
53.03942	2.1
55.05518	3.8
56.11485	0.5
59.63233	0.5
65.03933	1.3
67.05511	3.9
69.68130	2.2
69.68533	1.2
70.06610	0.8
74.89263	0.6
77.03938	1.1
79.05504	9.2
81.04522	0.8
82.05351	0.8
91.05485	40.0
92.05796	0.8
93.07058	2.3
95.04982	1.5
98.21552	0.6
103.05470	5.4
105.03407	1.8
105.07037	100.0
106.07373	1.8
107.08601	0.6
112.02191	1.7
115.05460	2.9
117.06983	2.6
118.07812	3.3
123.07942	1.9
129.06992	0.8
131.08565	7.4
133.02869	1.2
133.06551	3.2
133.07431	0.8
133.10136	34.7
134.10432	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.50943	0.4
53.03733	0.5
53.03951	4.3
55.01873	0.9
55.05507	3.0
65.03958	1.0
67.05511	1.2
69.41964	2.6
71.04995	0.6
77.03933	2.8
79.05498	13.4
80.46848	0.4
82.05334	0.6
90.04689	0.6
91.05486	25.3
92.05795	0.6
92.06310	0.6
93.07047	5.7
95.04979	2.4
98.21593	0.6
103.05468	8.0
105.03451	2.1
105.04543	1.5
105.07038	100.0
106.07365	1.8
107.08604	1.4
107.87549	0.5
112.02184	2.7
113.02978	1.1
115.05456	6.4
116.06236	1.1
117.07029	6.1
118.04163	1.3
118.07813	6.5
123.07939	3.9
129.06967	0.6
131.08586	8.7
133.02901	3.9
133.06522	15.8
133.10139	50.0
134.06038	1.0
134.10509	1.2
144.04765	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03943	2.2
55.05516	5.0
65.03934	1.1
67.05500	1.2
70.79556	1.2
74.99725	0.5
77.03933	0.7
79.05498	9.5
82.07376	0.4
83.71117	0.4
87.19595	0.5
91.05485	32.9
93.07050	7.4
95.04983	1.6
103.05463	5.2
105.07033	100.0
106.07374	2.1
107.08569	1.3
112.84616	0.4
113.20123	0.5
115.05467	7.5
116.06234	1.4
117.07024	7.1
118.07808	8.1
129.07034	0.8
131.08574	12.7
133.06512	1.1
133.10135	61.0
134.10484	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03947	1.3
55.05515	3.4
60.06512	0.5
65.03937	0.8
65.98778	0.4
67.05504	1.5
70.20274	0.5
71.28603	1.0
72.91798	0.4
74.75343	0.4
79.05496	7.3
91.05486	33.2
92.05813	1.1
93.07049	2.6
95.04956	0.7
103.05494	3.2
105.07036	100.0
106.07375	1.9
112.02235	0.5
115.05464	2.3
115.42593	0.5
116.06251	0.7
117.07030	3.0
118.07813	3.2
118.54632	0.5
124.43452	0.4
131.08575	4.5
133.06490	1.0
133.10141	27.3
134.10446	1.0
153.14394	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02396	0.7
53.03952	5.1
55.01882	0.8
55.04242	0.5
55.05513	1.6
65.03942	0.7
66.36719	0.3
70.06604	0.7
70.42665	0.5
70.42992	0.7
77.03939	1.3
79.05499	30.9
81.04508	1.0
82.05330	0.4
89.53751	0.5
91.05483	15.3
92.05824	0.4
93.07059	3.1
95.04990	4.2
102.04658	0.4
103.05471	16.8
105.03435	1.1
105.04562	2.4
105.07037	100.0
106.06619	0.4
106.07381	1.7
112.02209	2.4
113.02957	1.5
115.05453	3.2
117.07047	4.4
118.07819	3.9
123.08039	8.4
129.07027	0.4
131.08556	3.9
133.02872	1.0
133.06500	26.0
133.07614	13.1
133.10133	21.3
134.06883	0.5
134.07901	0.5
143.26477	0.4
144.04794	1.0
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	Tetralin
Peak:m/z	Relative Intensity
53.03947	1.8
55.05516	4.0
65.03939	1.2
66.66314	0.4
67.05503	2.8
70.31554	1.5
77.03930	0.7
79.05067	0.7
79.05493	7.8
91.05484	41.4
92.05822	0.8
93.07082	2.5
95.04990	1.2
102.69918	0.5
103.05481	3.6
105.07034	100.0
106.07374	1.9
112.02180	0.5
115.05447	2.2
117.07019	2.5
118.07810	2.8
123.07945	1.0
131.08565	6.2
133.06509	1.2
133.10136	32.0
134.10486	0.9
142.37450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0651
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02373	1.0
53.03951	5.2
55.01880	4.1
55.05499	1.7
55.60055	0.5
65.03958	0.9
67.05495	0.7
70.06602	0.5
70.78493	0.7
70.78838	0.9
71.05000	1.1
75.95878	0.4
77.03928	2.2
79.05500	21.0
81.04504	0.5
83.02601	0.5
91.05486	14.5
93.07050	2.5
95.04982	3.3
103.05472	14.7
105.03387	1.5
105.04531	1.5
105.07039	100.0
106.07361	1.5
107.08574	0.5
111.04459	0.4
112.02200	1.6
113.02949	0.7
115.05449	4.9
117.07031	2.9
118.04180	1.1
118.07806	3.1
123.07926	2.5
128.72951	0.5
131.04947	0.9
131.08578	4.4
133.02867	1.8
133.06509	34.0
133.10136	19.3
134.06918	0.8
138.10254	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.0
53.03952	4.6
55.01883	3.2
55.05503	1.4
65.03950	0.8
67.05527	0.5
68.91607	0.4
69.03418	0.4
70.06570	0.4
70.83076	1.1
71.04987	0.5
74.02442	0.6
77.03934	2.1
79.05502	18.1
81.04537	1.0
82.05305	0.4
91.05488	16.0
92.06303	0.5
93.07047	2.8
95.04983	3.2
103.05475	11.3
103.06165	0.9
105.03387	1.4
105.04588	1.8
105.07037	100.0
106.07371	1.5
107.05054	0.4
107.08626	0.4
112.02191	2.6
113.02973	1.8
115.05457	4.6
116.06259	0.4
117.07027	3.3
118.04196	1.2
118.07831	2.2
123.07945	4.2
129.06992	0.4
131.04950	0.6
131.08591	4.8
133.02872	2.0
133.06505	29.2
133.10136	22.1
134.06000	0.4
134.06889	0.4
144.04776	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
58.06605	48.4
59.07388	30.6
69.07058	0.5
69.50582	2.4
71.91418	0.4
75.96952	0.5
86.09711	3.6
101.00930	0.7
116.07126	0.5
119.01937	0.6
132.10216	100.0
133.10564	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1022
Annotation	L-Norleucine
Peak:m/z	Relative Intensity
53.03955	0.6
56.96558	0.9
57.03443	1.1
58.06606	33.6
59.07388	22.7
61.01141	0.5
61.02931	1.4
67.05518	0.7
69.01978	0.5
69.07076	20.5
69.86328	1.3
69.86720	1.1
70.99870	1.3
71.01354	0.7
71.05008	0.9
72.01369	0.7
73.06584	0.7
73.87132	0.5
76.02692	1.2
81.01915	18.2
81.51981	2.3
82.01780	1.0
82.99855	2.3
84.55549	0.5
85.01421	0.8
85.02912	0.9
86.09715	100.0
87.02694	1.2
87.10038	0.8
88.02695	1.4
90.01569	0.6
90.02436	9.8
90.52470	0.9
91.02342	0.9
93.01881	0.7
96.02425	1.2
96.08158	0.6
98.20967	1.2
98.97586	1.0
99.02951	1.0
101.00893	13.5
102.00978	2.2
102.02423	11.3
102.04243	1.2
102.52534	1.8
103.00664	0.9
103.02422	2.0
104.96882	0.5
111.02951	5.5
113.00859	1.6
114.09188	1.3
115.02419	3.0
116.02508	0.6
117.03944	0.8
119.01936	10.7
120.02008	1.6
131.01921	2.9
132.02049	0.7
132.10217	70.1
133.03487	9.3
133.10590	1.4
134.03548	0.7
135.03220	0.7
143.01941	1.7
145.03497	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52874	0.6
53.03951	1.4
63.13333	0.5
65.03943	0.5
70.62764	0.6
70.63110	1.2
81.65667	0.5
84.08121	1.4
85.04848	1.2
85.08473	6.6
87.69726	0.6
90.90421	0.9
91.05486	100.0
92.05841	1.1
97.23084	0.5
103.05471	7.9
105.07042	0.9
113.07955	0.9
115.05454	8.1
116.06250	25.4
117.06603	0.8
128.06219	1.8
129.07014	13.8
131.04918	1.9
131.08569	70.7
132.08905	1.6
133.06483	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.6
57.76832	0.6
59.76279	0.7
64.12160	0.7
70.82694	0.9
70.83031	1.0
77.24902	0.8
84.08153	2.8
85.04845	1.9
85.07942	1.2
85.08478	14.5
86.09731	1.0
88.76471	0.7
89.85148	0.6
91.05486	100.0
92.05811	1.9
103.05478	8.5
105.07047	1.6
113.07986	1.9
115.05453	9.6
116.06249	31.4
128.06229	2.1
129.07016	15.7
130.07332	0.9
131.08569	87.0
132.08937	1.7
143.06039	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06886	0.4
53.03942	1.4
65.03959	1.5
67.94263	0.5
71.50434	0.6
71.50841	0.6
72.53959	0.5
84.08153	1.4
85.04848	1.2
85.07983	0.9
85.08484	6.6
86.09724	0.8
91.05494	100.0
92.05844	1.6
101.22546	0.5
103.05478	6.9
105.07059	0.6
113.07929	0.7
115.05469	7.9
116.06258	23.6
128.06227	1.9
129.06047	0.7
129.07024	15.2
131.08582	85.2
132.08897	2.0
133.06523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.0
65.03936	1.2
69.40066	2.3
69.40505	2.4
84.08131	3.2
85.04834	1.2
85.08473	9.5
91.05485	100.0
92.05830	1.4
95.04993	0.7
98.20755	0.8
98.71294	0.5
101.33632	0.6
103.05472	5.9
104.90742	0.6
105.07018	0.8
113.07946	1.6
115.05466	7.5
116.06244	25.6
128.06206	2.0
129.07013	14.0
131.04970	1.2
131.08571	79.5
132.08058	0.8
132.08925	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	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
65.03955	0.8
70.13429	0.6
70.13769	2.5
81.34863	0.6
85.08488	3.2
91.05486	100.0
92.05789	1.4
98.21408	0.7
103.05470	5.3
107.78309	0.6
113.07982	0.7
115.05460	8.6
116.06248	28.2
128.06230	2.2
129.07005	16.5
131.08571	87.8
132.08904	2.4
133.06494	0.8
143.06102	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
54.06877	0.9
57.05370	0.9
60.83065	0.7
65.03938	1.0
69.52563	1.4
69.52981	4.4
84.08147	4.7
85.04841	2.2
85.08483	20.0
91.05486	100.0
92.05826	1.9
103.05467	5.8
115.05473	7.9
116.06245	29.7
128.06227	1.8
129.07007	17.3
129.77631	0.7
131.08566	86.6
132.08025	1.3
132.08891	2.6
143.06078	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.9
53.03952	5.4
65.03962	0.9
65.96738	0.7
70.01192	2.8
70.48021	0.6
73.97001	0.7
77.03928	1.6
79.53476	0.7
81.03423	0.8
84.08167	1.1
85.04826	1.0
85.07977	1.1
85.08470	6.2
86.09681	0.7
91.05490	100.0
92.05824	1.9
95.04977	5.5
98.20745	1.0
102.04667	1.4
103.05479	49.3
104.05762	1.1
105.04524	2.2
105.07066	1.0
113.07943	0.8
115.05472	8.5
116.06258	26.2
128.06242	1.8
129.07014	12.8
130.07298	0.7
131.04948	24.0
131.08582	69.9
132.08917	1.6
133.06528	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.2
50.98166	0.1
51.02381	0.5
53.03948	3.8
53.29326	0.1
55.01873	0.3
56.96579	0.2
57.03424	0.2
57.07079	0.4
58.07415	0.3
69.03437	0.3
69.69689	0.3
69.70100	0.6
70.03744	0.3
72.93781	0.2
73.34544	0.1
74.09730	0.3
75.10040	0.1
77.03931	1.2
81.03423	0.4
84.08160	0.2
85.04846	0.4
85.08457	0.9
86.09708	0.3
91.05485	4.0
95.04971	4.0
98.97602	0.2
102.04676	1.2
103.05468	100.0
104.05798	2.2
105.04514	1.9
113.07938	1.1
115.05448	0.5
116.06277	1.1
129.07040	0.6
131.04930	9.8
131.06932	0.3
131.08543	2.6
131.16269	0.6
132.05234	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
50.01593	0.3
51.02381	0.5
53.03949	3.9
54.96989	0.2
55.01863	0.2
56.96569	0.4
57.03439	0.3
58.07409	0.3
69.03425	0.3
70.02807	0.7
70.03741	0.5
74.09742	0.3
77.03924	1.1
81.03427	0.5
84.04513	0.2
84.08133	0.4
85.02907	0.2
85.04856	0.7
85.08467	1.5
86.09695	0.3
90.90390	0.2
91.05485	6.6
95.04973	3.8
97.78097	0.2
102.04689	1.0
103.05470	100.0
104.05787	1.9
105.04522	1.6
113.02399	0.2
113.07371	0.1
113.07963	1.4
115.05444	0.7
116.06232	2.2
124.93784	0.2
128.06218	0.2
129.07011	0.8
131.04936	10.5
131.06972	1.2
131.08546	4.4
131.16275	0.5
132.04456	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.6
53.03707	0.3
53.03947	4.1
56.96567	0.2
57.03408	0.3
62.53711	0.2
69.03430	0.4
69.13619	0.2
69.92723	0.7
70.03757	0.4
75.68163	0.2
77.03935	1.4
81.03411	0.3
83.00820	0.2
85.04839	0.5
85.08460	1.6
86.09716	0.2
91.05486	8.3
95.04966	3.7
98.21464	0.3
102.04704	0.9
103.05468	100.0
104.05797	1.4
105.04522	1.8
113.07936	2.0
115.05475	0.7
116.06250	2.0
127.02528	0.2
129.06163	0.2
129.06949	1.1
129.67522	0.2
131.04933	11.5
131.08549	5.7
132.05260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.2
51.02381	0.5
53.03711	0.2
53.03951	3.8
55.01863	0.1
69.03448	0.2
70.03776	0.1
70.78553	0.3
71.03015	0.1
71.04190	0.1
77.03929	1.4
81.03410	0.3
85.04860	0.2
85.08493	0.4
91.05479	1.3
93.30859	0.1
95.04970	3.2
102.04695	1.0
103.05474	100.0
104.05805	2.2
105.04520	2.0
113.07942	0.4
115.05473	0.2
116.06256	0.4
127.04286	0.1
129.07004	0.2
130.31485	0.1
131.04941	9.4
131.06950	0.3
131.08531	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
52.44116	0.2
53.03711	0.3
53.03949	4.1
57.07081	0.3
58.07403	0.2
70.03738	0.2
70.28646	0.5
70.29018	0.3
77.03932	1.0
81.03398	0.4
82.69369	0.2
85.02969	0.2
85.04832	0.4
85.08485	0.9
85.37633	0.2
86.09660	0.2
90.90379	0.2
91.05489	2.9
95.04969	3.8
100.39915	0.2
102.04688	1.0
103.05469	100.0
104.05807	1.9
105.04527	1.6
113.07966	0.8
115.05487	0.4
116.06268	1.2
129.06998	0.5
131.04935	8.6
131.06921	0.5
131.08536	2.1
131.16238	0.4
132.05243	0.2
142.61888	0.2
149.82863	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	130.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
56.05040	6.4
56.96553	1.2
57.03424	1.0
57.07076	63.4
67.05499	1.6
69.03430	37.2
69.07073	4.4
70.06588	3.3
71.04977	1.3
71.41553	1.3
72.93784	1.2
74.09721	41.6
77.03905	0.8
82.06578	2.8
84.04507	43.4
84.08146	100.0
85.08466	1.8
91.05473	5.2
95.04967	3.1
102.04706	1.8
103.05470	54.4
105.04550	1.4
112.07610	83.6
115.05444	1.3
116.06223	1.4
129.07027	1.1
130.04994	1.6
130.06543	26.1
130.08640	25.1
130.15923	83.0
131.04933	4.7
131.06891	1.1
131.08578	3.0
131.16298	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02238	0.3
51.04912	0.3
53.51939	0.3
55.05512	0.9
58.56805	0.3
69.03432	0.3
70.70065	0.9
74.01656	0.3
78.04729	1.7
81.31799	0.3
82.03742	0.4
82.06579	3.7
83.08601	0.4
100.07627	1.1
102.04697	2.3
103.05446	0.6
110.03222	0.4
119.26529	0.3
127.05424	1.0
128.06236	100.0
128.14346	0.4
129.07072	6.7
145.06519	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
54.04276	0.6
55.01871	0.7
55.05519	2.4
70.01265	0.5
70.01929	2.2
70.06586	0.5
71.04977	0.6
72.05328	0.6
78.04705	0.8
78.97607	0.4
82.06586	7.6
86.06046	0.5
100.07631	2.4
102.04686	2.8
103.05418	0.7
108.07169	0.5
110.03236	1.1
110.06046	1.3
125.89932	0.4
127.05450	1.4
128.04340	3.4
128.06235	100.0
128.07027	4.8
128.14383	0.9
129.01833	1.4
129.07071	8.2
145.06448	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99864	0.5
70.70231	0.7
70.70577	0.6
70.99853	1.0
81.05341	0.5
82.01434	0.5
82.99850	7.7
83.01512	0.9
84.01192	0.5
89.00977	0.4
100.02477	0.9
101.00887	58.8
101.02572	1.7
101.08162	0.3
102.00986	1.0
111.00387	0.5
119.01926	100.0
120.01963	2.1
121.02337	0.4
123.10686	0.3
124.02452	0.7
124.05903	0.6
137.02965	14.0
142.03517	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	125.0964
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
50.72752	2.4
51.02374	2.5
51.89530	2.6
53.03944	4.8
55.01872	13.7
55.05271	3.8
55.05515	55.8
57.03424	3.9
59.05022	3.3
65.03939	5.2
67.05504	6.1
69.03429	36.8
69.07062	10.5
71.01336	2.9
71.04994	3.8
71.31608	4.2
79.05495	43.0
81.03403	3.3
81.07063	36.4
83.04985	100.0
83.08609	8.0
83.99158	2.7
87.82191	3.4
89.18466	2.7
91.05488	39.3
95.04962	4.5
95.08631	5.3
97.02905	33.7
97.06558	15.1
97.10169	5.4
105.07040	19.8
107.01342	3.5
107.04971	7.2
107.08599	74.8
109.06529	6.1
119.06055	3.3
120.75353	2.7
125.02353	9.5
125.04298	5.6
125.05988	7.5
125.09640	90.7
126.12824	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	127.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00353	4.5
53.03950	7.0
55.01867	6.3
55.05506	9.9
56.21108	4.4
57.03432	4.9
58.54808	3.9
67.05521	5.8
70.86560	4.6
70.86911	8.8
71.04999	100.0
81.03419	19.4
85.59791	4.4
99.04468	4.6
101.39246	3.9
107.25326	3.7
109.02902	17.9
127.03923	62.6
127.11205	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
55.05511	7.1
65.02142	4.7
67.05516	5.5
70.62968	12.7
71.04996	100.0
81.03409	16.5
84.11333	4.5
85.88972	4.1
103.23597	4.2
107.26682	3.9
109.02892	15.6
123.37910	4.7
127.03911	35.3
127.11182	21.5
139.24889	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	127.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	2.3
53.03950	26.7
55.01665	1.6
55.01880	14.8
55.05511	2.6
57.03431	7.2
57.07081	2.3
57.08440	1.8
69.03432	8.4
70.70197	2.9
70.70516	1.9
71.05000	25.8
72.04532	4.3
79.05481	4.9
81.03424	46.4
81.07069	16.6
82.06573	3.8
84.08155	2.5
97.02905	4.4
99.04465	9.4
100.07581	1.8
107.44432	1.4
109.02886	34.5
109.03603	2.3
109.06520	5.9
109.10178	2.4
116.06227	1.7
127.03934	100.0
127.07553	5.1
127.11240	3.3
128.06239	3.4
128.07085	2.8
128.10707	2.0
144.57413	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
62.92484	0.3
70.91151	0.6
82.01449	0.9
82.99847	6.6
83.01530	1.3
89.29744	0.2
100.02499	0.8
100.21215	0.3
101.00893	56.6
101.02569	2.1
102.00992	1.0
102.02222	0.4
111.00462	0.7
118.03562	0.4
119.01933	100.0
120.02005	2.1
121.02346	0.4
124.02496	0.8
137.02968	16.0
138.03120	0.4
142.03511	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99858	0.9
69.03432	0.4
69.37025	2.1
70.99868	1.7
77.00912	0.5
80.05038	0.3
81.05347	0.3
82.01450	1.3
82.99849	6.1
83.01498	1.8
84.01200	0.5
87.22194	0.3
89.00896	0.8
95.02003	0.3
96.04493	0.4
99.79128	0.2
100.02484	1.7
101.00890	53.1
101.02563	3.4
102.00974	1.2
102.02241	0.9
103.00647	0.2
111.00430	0.4
118.03558	0.3
119.01929	100.0
120.02039	2.0
120.03250	0.3
121.01635	0.4
124.02463	1.2
124.03951	2.1
124.05904	0.9
124.07621	0.3
133.03537	0.4
137.02965	16.4
138.03085	0.6
142.03511	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
53.03953	2.5
55.01886	0.5
55.05511	4.1
57.07075	5.1
60.43618	0.4
65.03928	1.4
67.05510	13.7
69.07077	3.0
69.18604	1.6
69.19033	2.8
70.21439	0.4
78.03464	1.6
79.05498	16.6
80.05024	9.9
81.07060	100.0
82.01463	0.7
82.07386	1.1
84.21171	0.4
92.17136	0.4
93.07075	2.2
93.58693	0.4
94.07828	0.5
95.04971	6.0
95.08614	15.0
96.04492	5.9
97.14216	0.4
100.02505	1.4
105.07053	0.9
106.02853	0.5
108.09402	1.0
112.03979	0.5
116.66230	0.5
118.03532	0.8
121.10165	1.6
123.04505	1.4
123.05558	19.2
123.08065	2.9
123.09155	0.9
123.11719	21.7
124.03968	3.6
124.07718	0.4
124.08704	1.2
136.34679	0.4
141.99376	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.2
53.03953	2.0
55.01882	0.4
55.05512	5.0
57.07081	3.8
58.68258	0.2
59.55652	0.3
65.03944	1.4
66.04699	0.3
67.05507	17.9
68.86687	0.2
69.07066	2.2
70.94380	0.6
77.03954	0.5
78.03459	0.6
79.05497	17.8
80.05022	5.6
80.05843	0.2
81.03439	0.3
81.07059	100.0
82.01448	0.5
82.07393	1.1
83.08617	0.3
91.05470	0.5
93.07053	2.3
94.07832	0.4
95.04965	3.4
95.08611	11.3
96.04497	2.8
100.02486	0.9
105.04516	0.5
105.07031	0.7
108.05736	1.1
108.09397	0.5
121.10126	0.7
122.19865	0.3
123.04463	1.1
123.05558	10.6
123.08066	4.1
123.11710	13.2
124.03951	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0808
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02385	1.4
53.03954	8.2
54.49341	0.9
55.01878	2.1
55.05276	1.5
55.05516	21.3
57.07085	5.3
65.03952	5.2
67.05512	95.0
68.05827	0.9
69.03423	2.7
69.07067	2.9
69.39091	7.7
74.63654	0.8
77.03941	2.8
78.03452	3.7
79.05501	28.6
80.05025	28.4
80.06287	2.3
81.03424	3.3
81.07063	100.0
82.01450	3.4
82.07384	0.9
91.05486	4.4
93.07056	18.1
94.07817	1.3
95.04980	31.9
95.08616	89.5
96.04506	14.6
96.05451	1.1
96.08153	1.0
96.08932	1.4
98.21491	1.7
100.02499	5.1
103.05449	2.6
105.04517	2.6
105.07046	11.4
106.02888	1.4
107.04961	4.1
108.05746	26.0
108.09372	1.4
118.03543	1.5
119.01904	1.2
121.06480	4.7
121.10151	1.7
123.04469	9.2
123.05567	58.2
123.08078	62.8
123.11709	20.7
124.03987	9.3
124.07620	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	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.6
53.03951	5.9
53.63352	0.5
55.01873	1.6
55.05511	7.7
57.07080	2.2
65.03934	2.6
65.51079	0.5
67.05508	38.7
69.03437	0.7
69.07068	2.0
78.03463	3.2
79.05496	18.4
80.05019	35.4
81.03419	1.5
81.07059	100.0
82.01443	2.7
82.07395	1.2
82.66443	0.5
91.05478	2.4
93.07046	8.1
95.04973	14.1
95.08611	26.7
96.04498	14.7
97.77193	0.5
100.02486	6.4
103.05473	1.3
105.04515	2.1
105.07030	5.0
106.02908	1.6
107.04936	0.8
108.05750	3.5
112.03997	1.3
118.03546	3.2
119.01919	2.3
119.18556	0.5
121.10118	0.9
123.04496	3.5
123.05558	65.6
123.08065	18.8
123.09091	1.2
123.11703	11.0
124.03964	9.2
124.05873	0.7
124.07584	1.2
137.02943	0.7
140.03397	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02376	0.5
52.47049	0.5
52.59154	0.4
53.03947	4.6
55.01865	1.4
55.05513	9.1
55.54203	0.4
57.03428	0.5
57.07078	3.3
58.52631	0.6
65.03938	2.2
65.48410	0.5
66.04729	0.4
67.05507	35.5
68.05041	1.0
68.05830	0.5
69.03438	1.3
69.07065	2.2
71.51150	0.6
76.41323	0.4
76.62968	0.4
77.03931	1.1
78.03461	1.6
79.05497	19.5
79.91054	0.5
80.05021	23.2
80.06280	0.9
81.03416	2.3
81.07059	91.9
82.01447	2.1
82.06590	0.5
82.07385	1.1
91.05485	1.2
93.07042	5.9
94.07825	1.0
95.04974	18.3
95.08609	24.0
96.04497	12.9
96.08127	0.9
100.02489	5.2
103.05499	0.7
105.03387	1.0
105.04519	2.0
105.07031	6.2
106.02904	1.2
107.04983	1.6
108.05739	7.2
112.04000	0.9
116.22208	0.5
118.03493	2.6
119.01915	1.5
121.06541	0.4
121.10172	1.0
123.04485	6.4
123.05563	47.9
123.08070	100.0
123.11698	16.0
124.03953	8.0
124.07594	2.9
124.08440	1.3
140.03433	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0556
Annotation	Picolinamide
Peak:m/z	Relative Intensity
50.01613	0.3
50.82736	0.2
51.02378	0.4
53.03947	1.3
53.44963	0.2
55.01882	1.3
55.05523	0.3
57.03440	3.4
58.99862	1.5
61.02932	0.6
65.52190	0.6
67.05513	0.4
68.02647	0.9
68.05040	0.4
69.03440	1.6
70.99862	1.0
71.01389	0.3
71.49516	0.3
73.02930	1.0
75.01911	0.5
76.83166	0.2
77.00916	1.0
78.03458	12.5
78.52962	1.5
79.02174	0.9
79.03003	0.2
79.05484	0.4
79.51931	0.7
80.05021	45.3
80.52707	0.5
81.01917	0.6
81.03419	2.3
81.05353	0.5
81.07064	0.6
82.01449	8.6
82.02661	0.2
82.99843	1.1
83.01547	0.4
84.52964	0.6
85.02896	1.4
85.53749	0.5
86.03689	0.7
86.52708	0.3
86.56365	0.2
87.01916	0.3
87.53483	0.4
88.02677	1.6
89.00890	0.6
90.02457	0.3
90.52968	0.5
93.01900	0.8
95.01904	0.3
95.04974	1.8
95.06084	0.4
96.04498	13.6
97.02895	0.7
99.53456	0.4
100.00108	1.0
100.02488	31.1
101.00886	14.7
101.02591	0.8
102.00977	0.3
102.02340	1.0
102.52431	0.2
103.00646	0.3
103.02442	0.4
105.04541	0.7
106.02921	23.4
107.03250	0.3
107.30280	0.2
109.02894	1.1
111.02934	0.4
113.00868	0.9
115.02457	1.1
118.01169	2.0
118.03532	14.4
119.01928	45.9
120.02032	0.5
120.03347	0.4
121.01644	0.4
123.05558	100.0
124.02467	0.6
124.03947	3.0
124.05933	1.2
131.01923	3.3
132.01974	0.4
133.01617	0.2
133.03485	1.2
136.02310	0.3
137.02968	12.8
141.02682	1.2
141.05061	0.3
142.03520	3.7
143.01944	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01613	0.3
50.82736	0.2
51.02378	0.4
53.03947	1.3
53.44963	0.2
55.01882	1.3
55.05523	0.3
57.03440	3.4
58.99862	1.5
61.02932	0.6
65.52190	0.6
67.05513	0.4
68.02647	0.9
68.05040	0.4
69.03440	1.6
70.99862	1.0
71.01389	0.3
71.49516	0.3
73.02930	1.0
75.01911	0.5
76.83166	0.2
77.00916	1.0
78.03458	12.5
78.52962	1.5
79.02174	0.9
79.03003	0.2
79.05484	0.4
79.51931	0.7
80.05021	45.3
80.52707	0.5
81.01917	0.6
81.03419	2.3
81.05353	0.5
81.07064	0.6
82.01449	8.6
82.02661	0.2
82.99843	1.1
83.01547	0.4
84.52964	0.6
85.02896	1.4
85.53749	0.5
86.03689	0.7
86.52708	0.3
86.56365	0.2
87.01916	0.3
87.53483	0.4
88.02677	1.6
89.00890	0.6
90.02457	0.3
90.52968	0.5
93.01900	0.8
95.01904	0.3
95.04974	1.8
95.06084	0.4
96.04498	13.6
97.02895	0.7
99.53456	0.4
100.00108	1.0
100.02488	31.1
101.00886	14.7
101.02591	0.8
102.00977	0.3
102.02340	1.0
102.52431	0.2
103.00646	0.3
103.02442	0.4
105.04541	0.7
106.02921	23.4
107.03250	0.3
107.30280	0.2
109.02894	1.1
111.02934	0.4
113.00868	0.9
115.02457	1.1
118.01169	2.0
118.03532	14.4
119.01928	45.9
120.02032	0.5
120.03347	0.4
121.01644	0.4
123.05558	100.0
124.02467	0.6
124.03947	3.0
124.05933	1.2
131.01923	3.3
132.01974	0.4
133.01617	0.2
133.03485	1.2
136.02310	0.3
137.02968	12.8
141.02682	1.2
141.05061	0.3
142.03520	3.7
143.01944	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02387	3.7
53.03952	25.3
55.01859	3.5
55.05514	8.2
57.71875	0.8
65.03945	12.3
67.05492	4.8
69.90190	3.6
69.90562	1.3
70.52351	0.8
77.03938	4.3
79.05499	61.5
80.05840	1.1
81.03416	2.8
81.07052	3.0
91.05488	70.0
93.03384	0.9
93.04518	1.1
93.07049	90.0
93.70099	1.0
94.06567	1.9
94.07389	1.8
95.04979	24.5
98.20831	1.5
103.05473	34.6
104.05775	1.5
104.13842	0.8
105.04523	12.3
105.07037	100.0
106.07857	9.2
111.04439	1.6
112.03991	0.8
119.07762	0.6
119.08582	15.1
121.02876	12.4
121.03990	7.5
121.06520	40.7
121.10146	53.2
122.06035	2.1
122.06933	1.2
122.09666	1.8
123.08076	7.9
133.07613	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	123.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.5
53.03951	1.8
55.01868	1.3
57.03437	2.1
58.99866	1.2
61.02920	1.0
63.95449	0.4
67.05509	0.8
68.02631	0.7
68.05025	0.4
69.03436	1.4
69.65075	1.6
69.65481	0.8
70.35088	0.3
70.99856	0.7
73.02915	0.8
75.01877	0.3
77.00908	1.2
78.03030	0.6
78.03457	8.3
78.52962	1.2
79.02211	0.4
80.05019	43.7
81.01908	0.8
81.03423	1.6
81.07054	0.9
82.01444	13.8
82.99841	0.5
83.01540	0.5
84.52941	0.5
85.02920	1.5
85.53718	0.4
86.52701	1.1
88.02676	1.4
92.52702	0.9
93.01876	0.5
94.83222	0.3
95.04990	2.8
95.06090	0.5
96.04492	14.5
97.02890	1.1
98.52734	0.6
99.53468	0.4
100.00119	0.7
100.02486	48.8
101.00882	7.7
101.01506	0.6
101.02596	1.1
102.02367	1.2
105.04509	0.7
106.02917	13.3
109.02853	0.7
110.03544	0.4
111.02910	0.8
113.00863	0.9
115.02446	1.2
118.01167	1.1
118.03526	23.3
119.01926	23.7
120.02037	0.5
121.01659	0.6
123.05555	100.0
124.02526	0.7
124.03960	5.7
124.05873	0.8
131.01906	3.8
133.03455	1.0
137.02965	6.3
141.02747	0.8
142.03500	2.5
143.01930	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01586	1.3
51.02381	2.6
53.03716	1.6
53.03952	29.7
55.01862	4.2
55.05514	6.2
65.03944	13.7
67.05499	3.5
71.37894	1.6
77.03941	6.6
79.05502	52.2
79.05969	2.5
80.54761	1.1
81.03417	2.0
81.07056	2.8
91.05487	69.1
92.05821	1.3
93.07049	81.9
94.04121	1.1
94.07400	2.0
95.04978	21.2
103.05476	33.1
104.05816	3.6
105.04518	11.8
105.07038	100.0
106.07843	9.7
107.04954	1.4
111.04444	2.1
111.05854	1.1
119.08584	13.8
121.02893	13.7
121.04000	6.7
121.06516	78.8
121.08409	2.9
121.09347	2.1
121.10146	51.8
122.06090	2.0
122.06939	1.2
122.10529	1.3
123.08075	6.9
133.07611	7.2
137.49982	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02379	1.6
53.03717	1.1
53.03953	18.3
55.01867	0.9
55.05275	0.8
55.05518	11.3
58.12394	0.7
60.59561	0.7
65.03929	4.2
67.05505	2.7
67.75574	0.8
70.45405	0.7
71.40083	1.4
77.03938	4.7
78.04694	1.0
79.05499	56.1
80.05827	1.0
80.06268	1.2
81.03401	1.8
81.07069	5.1
91.05490	60.6
91.55912	0.7
92.05777	1.1
93.07050	100.0
94.07391	1.6
95.04973	18.8
103.05476	18.2
105.04527	8.6
105.07041	50.4
106.07835	5.8
119.08599	8.8
121.02906	2.1
121.03977	0.9
121.06521	14.0
121.10153	30.3
123.08074	2.8
133.07643	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02385	1.1
53.03953	14.0
55.05518	9.0
65.03927	1.1
67.05506	1.6
69.17747	7.9
74.78391	0.7
77.03924	3.1
79.05499	33.0
80.05813	0.8
80.06250	1.0
81.03428	1.1
81.07050	4.3
91.05489	48.9
92.05823	1.1
93.07050	100.0
93.49184	0.7
94.07369	1.3
95.04972	10.6
98.20815	1.5
103.05470	8.3
105.04524	5.5
105.07037	29.5
106.07848	3.6
119.08596	4.9
121.06510	2.9
121.10152	22.7
121.11041	0.8
123.08020	1.9
128.20520	0.6
133.07649	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02377	2.5
53.03952	27.9
55.01870	2.8
55.05510	4.8
65.03945	17.0
67.05499	3.9
71.07420	1.1
71.42720	1.8
77.03920	6.8
78.04717	2.6
79.05497	53.4
81.03419	2.3
81.07048	1.1
83.41274	1.1
91.05486	56.8
92.05783	1.7
93.07051	67.2
94.07423	1.2
95.04983	21.3
103.05474	36.7
105.04517	13.9
105.07037	100.0
106.07887	5.9
111.04459	3.5
119.08606	14.4
121.02885	17.3
121.04057	6.1
121.06517	75.1
121.10151	57.4
122.06017	2.6
122.06818	2.0
122.10530	1.4
123.08074	9.1
133.07646	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.2
53.03711	0.9
53.03951	12.7
54.00262	0.5
54.55392	0.5
55.05516	8.8
65.03939	2.2
67.05505	1.7
71.12697	1.2
77.03926	2.4
79.05499	33.8
80.06289	1.3
81.03426	1.4
81.07062	5.9
91.05489	46.8
93.07050	100.0
94.07379	1.5
95.04974	11.4
101.78482	0.5
103.05479	9.3
105.04524	6.5
105.07041	32.1
106.07870	3.8
119.08581	4.6
120.05711	0.8
121.02893	2.1
121.04009	1.6
121.06537	3.8
121.10152	23.2
122.07086	0.5
122.10503	0.5
123.08061	1.6
133.07652	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01586	1.3
51.02378	2.8
53.03952	37.4
55.01880	7.0
55.05508	2.1
65.03945	11.9
67.05508	1.7
69.03425	2.2
69.21962	3.4
69.22386	5.7
77.03924	5.7
78.04708	1.3
79.05071	1.8
79.05499	21.4
81.03417	4.4
91.05489	82.4
92.05825	1.1
93.03408	1.8
93.07053	56.0
95.04980	30.7
98.21481	1.5
103.05474	24.5
105.04527	19.1
105.07038	26.8
106.07803	1.6
111.04441	1.6
119.08587	4.3
121.02912	8.6
121.04003	3.6
121.06515	100.0
121.10155	14.9
122.06058	1.5
122.06856	1.9
122.09719	1.3
123.08086	2.0
133.07640	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	4.1
53.03952	27.6
54.04302	0.7
55.01870	4.6
55.05529	4.8
65.03946	17.0
67.05509	5.3
71.49682	1.5
77.03928	5.7
78.04714	1.0
79.05501	47.2
80.05818	0.9
81.03424	3.3
81.07045	2.2
91.05490	70.6
92.05792	1.4
93.03397	2.3
93.07052	76.1
94.07373	1.3
95.04980	27.5
103.05482	35.5
104.05807	4.3
105.04536	15.2
105.07040	66.7
106.07844	5.2
109.71841	0.9
111.04439	4.7
119.08605	9.8
120.05720	1.2
121.02885	22.5
121.03996	8.2
121.06519	100.0
121.08364	6.4
121.10150	37.9
122.06065	1.0
122.06870	1.9
123.08074	6.0
126.50044	0.7
133.07660	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	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02376	2.6
53.03952	26.8
55.01884	4.1
55.05514	4.7
55.37058	0.9
65.03949	9.6
67.05511	6.2
69.58220	0.7
70.11727	3.0
70.12083	0.7
77.03931	5.1
78.04710	1.9
79.05499	39.3
81.03413	3.2
81.07057	1.0
91.05485	61.2
92.05820	1.5
93.07049	63.7
95.04975	23.5
103.05476	27.8
104.05817	1.2
105.04526	17.5
105.07037	52.1
106.07873	3.7
111.04467	1.1
119.04932	0.8
119.08583	8.3
121.02901	8.6
121.04074	3.8
121.06513	100.0
121.10152	31.7
122.06051	0.9
122.06815	1.5
123.08057	3.9
126.44047	0.8
133.07629	3.7
139.57951	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.00692	1.1
51.02375	3.6
53.03710	1.8
53.03952	31.0
55.01867	4.0
55.05506	1.8
64.41005	1.1
65.03947	12.9
67.05493	1.6
68.53947	1.5
70.62109	3.1
77.03940	6.7
79.05496	20.2
81.03413	3.3
86.89622	1.1
91.05490	59.3
92.05810	1.4
93.07049	54.0
93.07645	2.8
93.73692	1.1
95.04976	27.2
102.04702	1.6
103.05477	89.9
104.05796	1.4
105.04530	14.7
105.07040	31.7
106.07833	2.0
111.04427	3.0
119.08586	5.2
121.02899	16.8
121.04036	7.1
121.06516	100.0
121.10149	17.9
123.08095	1.9
133.07620	2.8
135.36281	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02391	0.8
53.03951	8.7
55.05516	1.2
65.03934	2.4
66.02501	0.5
71.09917	1.0
77.03942	1.8
79.00198	0.5
79.05497	38.1
81.03432	1.2
81.07061	0.6
90.16536	0.5
91.05485	17.3
93.07048	20.8
93.07645	1.0
95.04966	7.3
103.05472	23.1
105.04544	4.9
105.07035	100.0
106.07861	7.4
119.08585	13.4
120.05725	1.1
121.02880	1.5
121.04021	0.9
121.06519	8.0
121.10147	50.0
122.06049	0.5
122.10491	0.9
123.08071	6.2
133.07605	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	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01573	0.4
53.03946	3.3
53.55026	0.4
54.04306	0.5
57.65177	0.5
58.06618	1.1
59.06947	0.6
59.07403	0.6
60.07729	0.9
65.03945	4.4
69.47739	3.7
72.96525	0.4
77.03947	1.5
77.98641	0.4
78.04714	0.9
79.05501	6.9
91.05488	100.0
92.05829	1.3
93.07059	6.6
95.04966	3.1
96.04517	0.7
96.05280	1.0
98.21488	1.0
103.04810	0.8
103.05476	15.3
104.06255	12.5
105.04512	1.6
109.06510	1.5
109.26447	0.4
115.05463	7.9
117.07027	41.6
118.07328	0.6
119.04959	0.9
119.06068	2.2
119.08577	74.1
120.08913	1.0
121.06539	0.5
131.06064	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
53.03947	4.1
53.63942	0.7
55.01866	0.6
64.15633	0.5
65.03933	1.5
66.26324	0.5
71.19321	0.9
71.19677	0.8
77.03976	0.7
79.05487	3.5
79.18654	0.6
91.05482	11.6
92.04955	0.8
92.05804	3.2
93.07047	19.8
94.06641	0.7
95.04958	3.9
103.05474	94.9
104.05803	1.6
104.33503	0.6
105.04539	3.0
105.07045	1.9
111.51554	0.6
118.06530	1.9
118.07361	1.4
119.07341	1.7
120.08115	100.0
120.08852	3.5
121.06495	2.1
121.08432	1.5
121.10118	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03955	4.0
58.06606	0.9
59.06940	1.7
59.07403	1.9
60.07733	1.7
65.03946	3.5
71.50893	0.9
78.03454	0.8
78.04735	2.4
79.05496	8.5
90.68737	0.7
91.05491	100.0
92.05804	1.1
93.07063	6.0
95.04965	3.5
96.04508	3.0
102.09236	1.0
103.05478	12.2
104.06261	12.8
105.04517	1.5
109.06504	0.8
112.43995	0.8
115.05477	6.1
117.07024	23.2
119.04908	1.1
119.06071	2.2
119.08578	87.1
120.08926	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
58.06638	2.2
59.06930	3.1
59.07409	1.9
60.07722	3.1
65.03945	5.2
67.05528	0.7
68.49749	0.6
69.66000	2.2
69.66402	1.0
74.06168	0.7
78.04733	1.5
78.80250	0.6
79.05499	9.1
79.85642	0.5
88.82971	0.5
91.05484	100.0
92.05809	0.9
93.07034	5.8
95.04971	2.3
102.04660	0.6
103.05475	14.2
104.05621	0.9
104.06255	12.4
105.04530	1.2
115.05462	6.1
117.07025	23.0
117.31102	0.5
119.04971	2.8
119.08542	84.3
120.08067	2.9
120.08884	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03951	4.4
54.53311	0.5
59.05437	0.5
59.06956	1.0
59.07398	0.8
60.07728	1.8
65.03942	4.1
65.79350	0.5
65.87680	0.6
70.62453	1.0
70.62794	0.6
74.58675	0.6
76.09435	0.5
77.03963	0.7
78.04726	0.9
79.05489	5.5
85.78585	0.6
91.05491	100.0
92.05821	0.6
93.07056	6.3
93.27691	0.5
95.04979	3.7
96.04501	0.5
96.05329	0.6
103.05476	15.7
104.05634	0.9
104.06266	13.2
105.04492	1.1
109.06553	1.4
115.05466	7.5
117.07033	38.9
119.04945	0.9
119.06073	1.4
119.08575	69.7
120.08922	1.2
121.06512	0.5
131.06029	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.1
56.92614	0.6
59.06938	0.8
60.07722	1.1
65.03934	3.7
69.05743	0.7
69.36674	4.2
69.37080	2.0
75.41596	0.6
77.03944	0.9
78.04706	1.8
79.05094	1.1
79.05477	4.6
89.05460	0.7
91.05483	100.0
92.05801	1.1
93.07040	5.6
95.04957	3.3
98.21526	1.6
103.05464	12.9
104.06256	10.5
105.04486	1.2
109.06532	1.5
115.05449	7.5
117.07018	39.5
118.07349	0.7
119.04981	0.9
119.08567	73.8
120.08879	0.7
131.06017	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02383	0.4
53.03945	3.5
55.01876	0.6
57.36787	0.4
58.14290	0.4
63.11555	0.5
65.03942	4.6
66.87358	0.5
70.86376	1.1
77.03941	1.0
78.03461	0.7
78.04280	0.5
78.04704	1.0
79.05497	5.9
91.05487	100.0
92.05823	1.1
93.07050	6.6
95.04968	3.1
96.04511	2.1
98.59699	0.5
102.04704	0.6
103.05469	14.6
104.06253	12.2
105.04511	1.7
109.06521	1.0
115.05463	7.0
115.52289	0.6
117.07027	39.6
118.07360	0.6
119.06076	2.4
119.06845	1.4
119.08585	64.0
120.08919	1.4
121.06480	0.7
131.06056	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03944	3.8
53.90644	0.7
58.06613	1.0
59.06933	1.3
59.74629	0.7
60.07709	1.8
65.03945	4.7
70.14008	2.8
74.60696	0.8
78.04707	1.3
79.05504	7.2
80.04549	0.7
91.05489	100.0
93.07054	6.9
95.04971	3.9
96.04489	1.2
98.20826	1.1
103.05474	13.7
104.06260	13.1
105.04522	2.1
109.06540	0.8
115.05466	6.0
117.06239	1.6
117.07033	25.0
117.07870	1.5
119.06088	2.8
119.08582	97.4
120.08928	1.0
131.06058	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21534	0.5
53.03962	2.8
57.01025	0.5
59.07408	0.7
65.03944	4.6
69.84267	0.5
70.61572	0.5
77.03942	0.9
78.04718	1.8
79.05502	6.4
89.12440	0.6
91.05485	100.0
92.05816	1.3
93.07055	8.1
95.04965	2.5
96.04531	0.7
103.05480	14.3
104.06262	13.1
105.04519	1.3
109.06517	1.3
115.05457	7.9
117.07024	43.6
118.07365	0.7
119.06071	1.7
119.08582	68.1
120.08915	1.3
121.53842	0.6
123.75706	0.5
123.91417	0.6
131.06053	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03946	3.5
58.06630	2.1
59.06965	2.3
59.07410	1.4
60.07714	3.7
65.03935	4.7
69.38999	5.6
77.03922	0.8
78.04726	2.0
79.05502	8.5
91.05486	100.0
92.05829	0.8
93.07040	6.9
95.04960	2.4
98.21422	1.7
103.05465	13.7
104.06258	13.9
105.04494	2.0
115.05472	5.4
117.07026	23.5
119.04906	1.7
119.08554	92.3
120.08083	1.0
120.08891	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03944	3.3
54.04288	0.7
65.03952	2.6
70.02920	2.3
78.04708	0.8
79.05488	6.3
90.46844	0.5
91.05485	100.0
92.05797	1.3
93.07052	5.0
95.04968	1.8
96.05361	0.6
103.05470	9.5
104.06261	9.4
105.04517	1.0
106.04845	0.9
115.05460	6.0
117.07024	29.4
119.06149	0.9
119.08582	58.6
120.08869	0.7
131.06021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77255	0.6
53.03948	3.7
54.04276	0.7
59.07378	0.6
65.03954	3.7
77.03926	0.8
78.04724	1.2
79.05499	8.3
87.63289	0.6
91.05488	100.0
92.05842	0.9
93.07047	5.8
95.04987	2.0
96.04500	1.6
103.05473	14.3
104.06265	12.4
105.04547	1.7
107.76199	0.7
109.06512	1.1
115.05467	7.1
117.07021	35.2
117.29835	0.7
119.04993	1.2
119.06083	1.6
119.06839	2.0
119.08582	74.7
120.08874	0.9
131.06062	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.7
53.03949	3.4
58.06619	1.1
59.06940	1.4
59.07400	0.7
60.07732	1.1
65.03944	4.6
70.66032	1.3
70.66348	0.9
73.45466	0.8
74.33091	0.7
77.03960	0.9
78.04725	1.7
79.05503	7.8
91.05489	100.0
92.05817	1.3
93.07069	6.5
95.04973	2.9
96.04514	2.0
102.09219	1.0
103.05475	14.1
104.05630	1.2
104.06263	15.3
105.04543	1.9
109.06503	1.0
109.39969	0.7
115.05465	7.6
117.07027	33.9
119.04926	1.0
119.06106	1.9
119.08580	79.0
120.08893	1.6
120.10190	0.7
131.06035	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02398	0.5
53.03945	3.3
54.04302	1.0
55.05762	0.4
58.06622	1.5
59.06938	1.0
59.07396	1.1
60.07739	1.2
63.02731	0.4
65.03939	5.7
69.93749	0.8
69.94165	1.2
72.08183	0.4
74.69214	0.4
77.03944	0.8
78.03468	0.4
78.04710	1.0
79.05502	6.5
81.03420	0.5
91.05486	100.0
92.05793	0.8
93.07038	4.0
94.23507	0.4
94.88457	0.4
95.04952	2.5
96.04498	1.8
96.05303	1.2
96.36089	0.4
103.05472	9.0
104.06246	9.1
105.04527	1.4
106.04873	0.8
109.06520	1.6
115.05464	5.1
117.07026	23.1
119.04974	3.3
119.06057	3.2
119.06845	2.1
119.08566	55.2
120.05609	0.5
120.08061	0.9
120.08860	0.9
121.06481	0.4
133.29623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85489	3.1
57.10254	2.9
67.05499	8.7
69.03442	6.3
69.85804	15.0
70.28666	3.1
71.02998	3.0
71.40330	3.0
82.01434	15.3
82.99850	4.8
84.52956	4.8
87.53474	6.8
91.05489	6.1
93.53464	6.7
100.02496	17.5
101.00890	50.8
101.92603	3.2
103.02443	9.0
107.05273	8.2
107.55446	3.5
114.38235	3.5
115.02446	3.3
118.03512	9.5
119.01929	100.0
119.40017	3.4
128.67142	2.8
129.04018	5.1
132.85519	3.0
137.02963	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	118.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06605	35.9
59.07387	37.0
62.98150	0.3
69.86272	1.1
72.08168	0.3
82.51158	0.3
98.21506	0.3
118.08665	100.0
119.08985	0.7
127.01319	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	1185.5455
Annotation	Unknow
Peak:m/z	Relative Intensity
88.85510	0.1
105.11397	0.1
111.95243	0.1
165.89642	0.1
183.33403	0.1
209.10684	0.1
223.12206	0.2
225.13737	0.1
247.12288	0.1
270.44049	0.1
298.13223	0.1
300.14908	0.1
301.15616	0.1
314.16632	0.1
324.15134	0.1
326.16583	0.1
338.16620	0.1
360.16550	0.1
363.16232	0.1
373.14639	0.1
375.16501	0.1
376.17603	0.1
387.16068	0.3
388.16855	0.4
389.17560	0.8
390.18668	0.3
391.19043	0.1
401.18076	0.4
402.18546	0.6
403.19275	2.2
404.20023	0.8
405.15875	0.1
405.20850	1.6
406.21628	0.2
415.19418	0.3
416.15939	0.3
416.20834	0.6
417.16638	0.7
417.21393	2.9
418.16956	0.2
418.21970	1.5
419.22455	3.2
420.22910	0.2
421.23865	0.2
429.16312	0.2
429.20959	0.2
430.17053	0.8
431.18219	7.2
432.18658	2.2
432.23984	0.5
433.24268	5.6
434.24817	1.2
443.18484	0.2
444.18771	0.4
445.19934	8.6
446.20868	4.5
447.21713	4.7
448.22595	0.5
449.23291	0.4
457.20450	0.1
458.21259	0.1
459.21674	3.1
460.22598	8.3
461.23349	6.9
462.20572	0.2
462.23767	0.4
463.21152	0.4
464.22021	0.2
469.63901	0.1
472.23120	0.1
473.23941	2.2
474.24481	0.6
475.21161	0.1
476.26627	0.6
477.22253	0.9
478.23349	0.1
487.25418	0.9
488.25598	0.2
489.26389	0.5
490.19394	0.2
491.25516	0.8
492.25400	1.3
493.25745	0.2
500.21823	0.1
503.20309	0.1
504.21796	0.3
505.22067	4.7
506.22845	0.3
515.24445	0.3
518.23193	0.5
519.23944	0.8
520.24701	0.1
532.21832	0.1
533.25519	30.2
534.25842	2.0
547.27563	0.4
549.21289	0.1
550.25775	0.2
551.26508	0.2
561.25037	0.5
563.23181	0.1
564.23798	1.1
565.28363	1.0
575.26636	0.5
578.25354	0.3
592.26666	0.3
593.27600	100.0
594.27930	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	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.01602	3.3
51.02380	8.5
53.03949	77.2
55.01870	3.4
58.06602	42.0
59.07385	37.3
68.56414	1.2
69.03407	1.5
70.07811	3.4
70.08204	2.6
71.05007	1.5
72.08156	5.3
74.64917	1.2
76.93375	2.1
77.03939	16.6
79.05502	2.1
81.03418	7.1
91.05487	44.5
92.05833	2.0
95.04976	73.2
100.07633	1.7
103.05466	3.5
104.06258	3.5
105.04522	46.4
115.05449	2.6
116.05795	5.0
117.07044	13.0
118.06562	100.0
118.07328	9.1
118.08659	87.2
119.08579	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	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.01598	0.6
51.02383	2.7
53.03953	22.1
55.01864	1.4
58.06606	38.1
59.07388	38.0
61.37684	0.4
70.79321	0.5
70.92109	0.5
70.95751	1.1
71.05024	0.8
72.08150	2.1
76.93366	2.1
77.03944	5.6
79.05508	0.6
81.03415	2.1
91.05489	10.4
92.05824	0.6
95.04977	21.3
103.05486	0.9
104.06281	1.1
105.04527	12.0
116.05799	2.5
117.07043	2.3
118.06569	29.0
118.07300	2.7
118.08665	100.0
118.91898	0.5
119.04957	0.7
119.08571	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	118.0866
Annotation	Betaine
Peak:m/z	Relative Intensity
52.06729	0.2
55.72252	0.1
58.06605	39.8
59.07387	38.9
59.67284	0.1
71.03241	0.3
93.13883	0.1
93.25632	0.2
102.05547	0.2
118.08665	100.0
119.09039	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32681	0.4
58.06172	0.6
58.06601	37.8
59.07384	38.2
65.11916	0.4
71.41450	0.9
72.08131	0.7
78.43638	0.5
118.08659	100.0
119.09049	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02370	2.9
53.03951	25.7
55.01876	1.1
58.06604	39.9
59.07385	36.9
65.03939	2.4
71.50813	1.1
72.08147	2.8
76.93351	1.4
77.03922	5.9
81.03413	2.9
85.47159	0.8
91.05486	15.8
92.05803	2.8
95.04971	21.9
97.04459	0.7
100.07594	1.0
103.05499	1.2
104.06242	1.0
105.04519	14.5
107.40198	0.7
116.05809	4.6
117.07023	2.5
117.44406	0.8
118.06556	29.5
118.07304	3.8
118.08659	100.0
119.04955	1.9
119.08547	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	118.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.3
53.03708	0.6
53.03952	8.4
55.01872	0.6
55.05521	0.6
57.75872	0.3
58.06604	42.5
59.07386	41.8
59.07697	0.8
59.93103	0.7
65.03953	0.4
67.22445	0.3
67.35300	0.3
69.29270	1.4
69.29682	1.0
71.04999	1.1
72.08162	4.0
76.93376	4.9
77.03933	1.7
79.05521	0.5
81.03425	0.6
87.04469	0.3
90.03808	0.3
91.05492	8.2
92.05848	0.6
93.07081	0.3
94.94439	1.8
95.04971	8.5
95.05569	0.4
100.07635	1.1
103.05508	0.7
104.06274	0.7
105.04517	4.4
105.86160	0.3
107.73927	0.3
115.05460	0.6
116.05850	0.7
117.07015	1.8
117.96008	0.8
118.06564	11.4
118.08662	100.0
118.96765	0.4
119.08523	3.0
119.40990	0.3
135.97032	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1152.6452
Annotation	Unknow
Peak:m/z	Relative Intensity
81.06593	1.0
81.07059	17.5
81.44140	0.5
83.04992	1.2
83.08617	2.1
84.04527	0.5
86.09710	3.7
91.05484	8.1
93.07047	15.8
93.07634	1.0
95.04955	1.0
95.08611	16.5
97.06526	1.4
97.10161	0.9
98.06057	1.5
98.97871	0.7
98.98469	9.5
102.05531	0.8
105.07033	5.7
107.08594	8.8
109.10168	5.4
111.08092	1.0
115.08723	0.5
117.07027	1.7
119.08586	5.7
121.10149	7.8
123.11707	2.0
124.01604	1.9
131.08571	2.7
133.10138	5.2
135.11714	3.8
136.07626	0.6
137.13274	0.6
141.10231	1.6
142.02626	1.5
143.08305	0.7
145.10130	2.0
147.11694	2.5
149.13278	2.3
150.56042	0.5
155.01060	2.6
155.08212	0.6
158.63411	0.5
159.11691	1.7
161.13269	2.4
163.11282	0.6
163.14749	0.9
169.09682	2.5
173.02106	1.9
173.09279	0.8
173.13283	1.8
175.14847	1.1
187.14885	1.0
198.05333	2.1
201.08777	0.8
216.06345	4.6
243.21095	1.8
248.41385	0.6
261.22153	7.2
282.18161	0.6
299.23862	0.6
304.26340	10.5
317.24689	1.3
335.25815	100.0
336.26227	3.6
415.22391	4.9
433.23453	0.9
458.26678	36.2
459.27133	1.4
476.27777	53.9
477.27887	2.5
517.43408	0.5
636.29858	0.6
713.86243	0.7
749.37897	0.7
750.01440	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
55.05506	0.8
56.73612	0.4
59.05005	6.1
63.02362	0.9
65.03955	2.5
68.94326	0.5
69.03431	2.8
69.07063	1.2
70.06599	10.9
71.40053	0.9
72.93797	0.5
73.02909	0.6
73.06577	0.6
73.93853	0.6
74.93828	2.6
87.04477	4.8
89.03934	7.2
92.94864	0.8
97.02877	0.9
98.05977	0.5
107.11945	0.6
115.03983	13.7
115.05461	100.0
115.09544	1.3
116.06311	0.8
116.07121	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1150.5797
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03421	3.2
81.07057	10.4
83.08599	0.3
85.02905	12.1
87.00307	0.4
87.00829	7.6
91.04905	0.3
91.05473	4.7
93.07040	7.7
95.04953	0.6
95.08605	8.4
97.02896	5.7
97.10165	0.6
99.04453	1.6
103.05407	0.3
105.01866	13.2
105.07029	19.6
107.07871	0.4
107.08591	7.0
108.04463	0.6
109.02889	5.8
109.06493	0.3
109.10150	5.9
111.08070	0.3
115.05460	0.4
115.07568	0.3
117.01822	0.4
117.07015	1.3
117.74673	0.3
119.08581	11.3
121.06497	0.2
121.10136	4.1
123.11703	1.8
126.05515	0.7
127.03919	10.5
128.06268	0.3
129.01814	0.3
129.07008	0.7
131.08571	5.7
133.10136	6.7
135.11690	1.9
137.13283	1.1
139.11115	0.4
141.09081	0.3
142.07776	0.4
143.07498	0.5
143.08563	6.0
145.04958	4.0
145.10123	7.7
147.11682	8.1
149.13261	2.0
151.11212	0.5
155.08493	0.2
157.10127	4.0
159.02922	1.6
159.11696	7.6
161.13257	9.4
163.14830	2.7
167.10657	0.3
169.10159	0.5
171.11674	2.3
173.13257	7.6
175.14832	5.0
177.12778	0.4
179.10695	0.5
183.11671	1.0
185.13272	2.8
187.11194	0.3
187.14851	0.6
189.04036	0.4
191.10667	0.4
193.12154	1.1
197.13239	0.4
199.14819	14.0
200.15469	0.5
201.12611	0.3
203.14287	0.3
205.12209	1.0
207.13812	3.1
209.13271	0.6
213.03949	2.2
213.16373	3.6
217.15831	0.4
219.13820	0.7
221.15385	1.1
223.14827	0.3
225.16312	0.6
227.14340	0.5
227.17946	3.0
231.05002	11.7
245.15378	5.9
245.17253	0.1
249.03484	0.4
249.06075	8.8
253.19447	0.3
255.21078	49.3
256.21332	1.2
259.16922	0.9
265.19562	1.3
266.08737	1.0
273.18552	0.9
273.22131	1.9
279.44714	0.3
283.20596	5.7
284.09647	1.0
301.21616	100.0
302.21906	2.9
319.22702	1.8
342.24515	0.3
363.22943	0.3
485.25415	0.8
503.26080	0.2
513.24683	0.9
521.27301	0.3
531.25885	8.4
549.26984	2.2
584.30701	6.9
585.30554	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35860	0.4
55.01859	1.1
55.05510	0.5
55.18995	0.4
59.05003	4.7
59.10086	0.4
63.02380	0.6
65.03946	1.4
69.03436	4.2
69.07076	1.0
70.06602	8.8
70.86510	1.0
72.93797	0.5
73.02913	0.4
74.93818	1.3
87.04472	3.5
87.26423	0.4
89.03925	4.7
97.02919	0.8
97.08466	0.5
98.20889	0.6
104.00497	0.4
115.03934	7.8
115.05462	100.0
115.09524	1.2
115.84429	0.4
116.06319	1.0
116.07066	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0601
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
53.00288	1.3
53.03945	1.6
55.01862	3.7
55.05510	5.3
57.03437	8.6
57.06790	2.3
57.07078	67.9
65.03936	9.5
67.01867	7.6
67.05507	100.0
68.05028	2.9
68.05837	0.9
68.99796	1.6
69.03423	3.5
69.07066	2.5
70.02959	15.6
70.03742	1.0
70.06577	1.0
71.04994	29.7
71.50511	1.2
71.50902	2.1
71.94098	6.5
72.93404	2.3
72.93787	26.3
74.46484	1.0
74.87413	1.0
83.04994	1.5
85.02899	1.3
85.06551	24.0
85.33011	1.1
86.06088	1.2
87.63904	0.9
89.18777	1.1
90.94824	9.4
95.01337	5.7
95.02445	1.4
95.04972	32.4
95.08617	9.8
96.00854	10.7
113.02370	97.9
113.03493	17.2
113.06000	28.8
113.07944	3.3
113.09663	2.8
113.10799	1.4
113.96406	1.6
114.05498	3.0
114.09136	5.5
114.88795	1.0
119.52740	1.2
131.97485	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.8
53.03953	2.0
55.01868	1.0
55.05516	37.3
56.05035	2.8
57.07075	2.0
58.06612	4.2
67.05505	2.7
68.05042	2.1
69.03429	0.8
69.04557	1.8
69.07074	100.0
70.02952	1.6
70.04079	0.9
70.06601	17.8
70.07409	1.0
71.06112	1.2
82.05322	1.1
83.04978	1.6
83.06115	5.0
83.06893	0.7
83.08615	1.2
84.04513	1.0
84.08153	1.9
84.20151	0.6
88.00491	6.6
89.00252	0.7
91.05498	0.7
92.12603	0.5
93.07059	1.1
94.06554	1.6
95.06100	0.6
95.17284	0.5
96.05620	1.1
96.06884	1.4
97.01029	3.1
97.02995	0.5
97.51185	0.9
99.51276	1.6
105.49408	0.5
106.09211	0.6
110.07175	4.8
111.04468	4.9
111.05629	8.0
111.06382	2.2
111.06841	1.0
111.07507	3.4
111.08047	2.5
111.09212	31.9
112.03963	1.7
112.05088	0.8
112.07601	1.8
112.08747	6.9
115.96454	2.3
116.97249	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04736	0.3
79.05495	9.8
81.03414	1.3
81.07059	6.2
83.04983	100.0
84.05300	3.1
85.02924	1.7
85.06536	1.8
89.03977	0.3
91.05483	36.5
92.05803	0.8
93.03413	0.9
93.07046	10.1
94.07389	0.5
94.62751	0.3
95.01328	0.4
95.04970	10.0
97.02876	2.4
97.06533	0.8
99.08100	0.9
99.87245	0.3
103.05482	3.6
105.03403	1.7
105.04524	1.9
105.07031	10.1
106.07388	0.5
107.04967	7.4
107.08588	0.8
108.05283	0.5
109.02891	1.3
109.06517	2.2
111.04444	0.5
111.08085	0.7
113.02381	0.6
115.05455	8.3
115.07770	0.4
116.06245	1.1
117.03407	0.7
117.07033	6.6
119.04945	11.8
119.08598	3.3
121.02908	0.7
121.06503	6.8
122.03329	0.3
122.07286	1.0
122.54187	0.4
123.04406	2.0
125.06031	0.6
127.05463	0.5
128.06230	17.9
129.07025	17.4
130.07738	1.7
130.08623	0.3
131.04932	2.5
131.08578	6.4
132.05754	0.5
133.02855	0.4
133.06493	3.3
133.10141	0.4
135.04425	9.0
135.08070	1.6
136.04709	0.5
137.05994	7.3
141.06993	25.1
142.07834	5.6
143.04973	0.6
143.08572	14.9
144.05705	0.9
144.09129	0.7
145.06482	5.9
145.10126	3.2
146.07100	0.3
146.10518	0.4
147.04405	5.4
147.08049	5.0
147.09096	0.5
148.08360	0.3
149.05991	1.7
151.03848	0.7
152.06203	4.4
152.07394	0.5
153.06995	11.8
154.07785	27.6
155.04961	0.7
155.06053	1.9
155.08569	8.3
156.09373	1.8
157.06502	4.4
157.07640	0.6
157.10136	3.3
158.07281	4.9
159.04437	1.6
159.08089	4.7
159.11710	3.4
161.05992	3.7
161.09608	1.0
163.03957	2.6
163.07520	0.7
165.05490	10.3
165.07011	7.5
166.05777	0.5
166.07791	3.9
167.08563	7.2
168.05724	1.2
168.09212	1.0
169.06487	4.1
169.10130	32.9
170.07230	1.2
170.10451	2.3
171.08046	9.9
171.11742	2.5
172.08757	2.5
173.05972	2.8
173.09618	5.0
175.03830	0.4
175.07582	1.2
175.11176	1.1
178.07759	4.9
179.08559	13.3
180.09007	0.8
181.06516	4.1
181.08664	0.7
181.10037	2.1
182.05676	0.7
182.07283	11.0
182.08888	0.7
182.10562	0.4
183.06535	0.7
183.08041	3.8
184.08786	1.3
185.06018	1.3
185.09595	5.0
186.10062	1.0
187.07600	3.0
187.11162	5.6
189.09082	1.1
195.08025	3.9
196.08813	1.1
197.05988	1.0
197.09625	41.6
198.06805	0.6
198.10039	2.8
199.07613	1.7
199.11282	3.1
200.08397	0.3
201.05435	0.8
201.09084	5.0
203.06979	0.4
203.10645	0.5
207.08113	1.4
210.06802	1.1
211.07449	0.7
211.11053	0.5
213.09114	6.7
214.09589	1.5
215.07222	0.6
215.10670	14.5
216.11006	0.8
217.08607	1.3
223.07507	0.7
225.09113	25.1
226.09427	1.5
227.10605	0.7
229.08652	0.5
229.12270	0.9
231.10123	0.6
233.11749	0.4
241.08607	5.8
242.09001	1.3
243.10179	66.8
244.08322	0.4
244.10559	5.1
245.11011	1.0
247.13382	0.5
255.10129	0.4
257.11795	1.6
259.09665	1.5
260.10056	0.4
261.11273	3.1
262.11215	0.4
273.11249	0.7
275.12769	6.4
276.13116	0.5
291.12238	0.6
313.14462	0.8
341.13821	5.4
342.14136	1.8
343.15408	89.8
344.15744	8.7
345.16110	1.4
359.15042	0.6
361.16547	3.4
483.17700	0.5
601.24304	1.4
606.21564	0.4
633.26971	0.6
701.29822	1.8
733.32300	3.0
765.34357	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
52.48687	0.5
53.00296	0.6
53.03951	5.4
55.05512	9.5
55.05765	1.0
56.14787	0.5
65.03944	5.3
67.05507	100.0
68.05032	2.9
68.05834	0.9
69.04557	2.1
69.07077	6.3
71.51694	0.7
79.05495	10.1
80.05006	0.7
80.05832	0.8
80.06274	1.3
81.03420	7.9
81.07058	32.5
82.06575	2.4
83.06115	0.6
83.94112	0.5
88.38888	0.5
91.04981	0.5
91.05469	2.5
92.05804	0.7
94.04211	1.2
94.06106	0.6
94.07841	1.1
107.08595	3.4
109.02866	1.3
109.06542	4.2
109.07640	9.3
109.08485	1.9
109.10159	38.7
110.06060	5.3
110.07170	6.8
110.10480	0.7
111.56692	0.5
115.21668	0.5
121.26773	0.5
121.27911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0717
Annotation	Brunfelsamidine
Peak:m/z	Relative Intensity
55.01849	0.9
55.05507	2.6
56.05026	1.7
65.03948	2.5
66.03483	1.4
67.02992	1.1
67.04250	4.6
67.05521	1.8
68.05035	15.2
68.05840	2.9
69.04562	25.3
70.06585	2.9
70.96423	0.8
71.50859	1.7
79.90667	0.8
80.05012	1.9
82.06592	9.8
82.07371	1.6
83.05010	1.4
83.06113	6.6
92.05004	1.2
93.04549	7.0
95.03718	1.6
110.06052	63.4
110.07172	100.0
110.09668	1.7
110.10497	1.3
111.05575	2.7
111.09210	6.8
112.03897	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21118	1.1
55.05513	2.3
55.13301	1.2
62.98689	1.0
65.03937	2.3
67.04228	3.7
67.05505	2.7
68.05030	15.3
68.05818	3.3
69.04559	22.7
70.06589	2.5
71.51656	1.7
80.05005	3.5
82.06584	10.2
82.07366	2.4
83.06104	8.2
87.00469	2.6
92.04996	1.9
93.04513	5.1
95.03701	3.2
110.06032	75.8
110.07156	100.0
110.09679	2.5
111.04439	1.5
111.05560	1.9
111.06352	1.9
111.09203	6.0
112.03943	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.00311	0.5
53.03953	5.9
55.01881	0.7
55.05515	11.3
60.35083	0.4
65.03948	5.3
67.05510	100.0
68.05834	0.9
69.07072	6.7
70.89114	1.0
79.05499	11.7
80.06282	1.2
81.03426	7.4
81.07063	33.7
85.49505	0.5
91.05482	2.1
94.04179	1.6
94.07837	1.8
98.21315	0.5
105.07061	0.8
107.08614	3.7
109.02892	1.8
109.06535	3.6
109.07684	1.2
109.10165	37.6
110.06055	3.4
122.11280	0.5
126.74238	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.24228	0.3
51.34541	0.3
53.03954	3.9
55.05519	10.4
58.57405	0.3
65.03953	4.3
67.05511	100.0
67.24750	0.3
68.05045	0.3
68.05850	0.8
69.07077	6.7
71.03137	0.5
79.05499	10.2
80.06314	1.6
81.03425	4.1
81.07066	33.5
82.06567	0.7
87.00429	0.3
91.05485	1.8
94.04206	0.5
94.07837	1.4
95.05011	0.4
99.95951	0.3
105.07049	0.5
107.08613	3.6
109.02888	1.1
109.06535	4.0
109.07668	1.1
109.10167	36.1
110.06071	2.1
110.10474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.1
55.01905	0.5
55.05517	10.8
65.03950	5.7
66.04715	0.7
67.05511	100.0
68.05850	0.7
69.07069	5.6
71.30189	0.9
73.89245	0.4
74.58884	0.4
75.51352	0.4
79.05497	14.0
80.05827	0.5
80.06276	1.3
81.03426	6.7
81.07066	36.9
82.06594	0.6
91.04977	0.7
91.05493	7.6
94.04195	8.2
94.07824	1.3
105.07056	0.7
107.04965	3.0
107.08616	3.1
109.02882	1.5
109.06522	18.2
109.07684	1.5
109.10166	35.0
110.06038	3.1
119.06045	0.5
121.03991	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02381	0.4
53.03949	5.2
55.01888	0.6
55.05269	0.7
55.05515	9.9
59.02965	0.4
60.39793	0.3
65.03944	5.9
65.08813	0.4
67.05507	100.0
68.87778	0.3
69.03441	0.6
69.07070	6.4
69.59232	2.4
79.05495	16.3
80.06287	1.2
81.03425	8.0
81.07059	39.6
87.47593	0.4
91.05484	7.4
94.04188	8.2
94.07832	1.2
95.04968	0.4
98.21485	0.8
107.04953	3.2
107.08599	3.4
109.02882	1.4
109.06525	17.3
109.10159	38.6
110.06091	0.8
110.06839	0.5
111.04436	0.5
119.06138	0.6
121.03994	0.4
123.65527	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02399	0.6
53.03950	8.1
55.01863	0.5
55.05269	0.9
55.05513	11.1
65.03945	4.5
67.05507	100.0
68.05836	0.6
69.07072	6.9
69.63793	3.0
79.05495	12.0
80.06274	1.2
81.03423	7.7
81.07056	29.9
91.05479	1.8
94.04194	1.1
94.07818	1.2
98.20765	1.1
100.78914	0.5
107.08608	4.0
109.02872	2.2
109.06522	5.7
109.07647	1.1
109.10160	48.1
110.06055	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03953	7.0
54.21925	0.3
55.05517	11.5
65.03944	4.9
67.05509	100.0
68.05846	0.9
69.07074	7.5
70.90247	0.4
70.90592	0.7
79.05498	12.1
80.06275	0.9
80.62250	0.3
81.03421	7.8
81.07063	34.0
82.06597	0.8
87.00471	0.5
91.05469	1.8
94.04182	1.6
94.07822	1.5
107.04961	0.6
107.08598	3.1
109.02920	1.7
109.06533	6.4
109.07664	1.2
109.10164	43.3
110.06044	3.3
110.10504	0.6
123.98858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	11.2
55.01870	1.4
55.05514	12.6
65.03941	5.3
66.93633	0.5
67.05510	100.0
68.05827	0.9
69.07072	6.0
69.60184	2.1
69.60595	1.4
76.26715	0.5
79.05500	15.8
80.06289	2.0
81.03427	14.3
81.03782	0.4
81.07061	37.4
82.06583	1.0
82.07384	0.8
86.43305	0.5
91.05489	3.6
94.04204	3.0
94.07837	1.4
97.54846	0.6
105.07040	0.9
107.04958	1.5
107.08624	3.8
109.02903	4.7
109.06531	12.9
109.07686	1.2
109.10165	44.4
110.06047	2.1
113.01433	0.6
118.97915	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
53.03949	17.2
55.01873	6.0
55.05516	13.4
65.03935	7.8
66.04715	1.4
67.05508	100.0
69.07070	6.1
71.04549	1.8
79.05496	42.8
80.06275	1.7
81.03419	17.1
81.03867	1.5
81.07059	62.1
81.92593	0.7
91.05484	10.9
94.04195	7.4
94.07811	1.7
97.92618	0.7
107.04961	1.5
107.08596	4.6
109.02888	4.5
109.06522	81.6
109.10159	45.7
110.06033	2.5
110.06814	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.4
53.03951	16.5
55.01876	2.1
55.05514	13.4
55.60914	0.8
57.04858	0.6
65.03941	7.6
67.05508	100.0
69.07079	7.5
69.22186	4.1
69.22592	1.3
79.05495	26.7
79.80447	0.6
80.06277	1.6
81.03423	25.1
81.07061	45.2
91.05486	5.8
94.04188	6.6
94.07823	1.0
95.05000	1.4
107.04921	3.5
107.08593	3.8
109.02885	6.7
109.06522	72.2
109.10159	46.9
110.06026	2.8
110.06799	1.2
119.06123	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.1
53.00311	0.6
53.03951	21.4
55.01876	8.6
55.05516	6.6
65.03947	7.0
66.04716	1.5
67.05509	58.5
69.03377	0.7
69.07076	3.2
70.90073	1.4
79.05500	51.5
80.05843	0.9
80.06293	0.7
81.03426	24.7
81.07063	55.7
82.06595	1.2
91.05492	17.0
94.04191	8.7
94.07816	0.6
95.04988	1.2
100.72332	0.6
107.04942	2.7
107.08613	1.8
109.02892	7.9
109.06527	100.0
109.10167	24.0
109.10928	0.7
110.06059	4.0
110.06783	1.2
114.56541	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0653
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02381	0.7
53.03713	1.1
53.03952	18.6
55.01636	0.6
55.01881	7.0
55.05518	6.5
65.03944	7.4
66.04714	1.6
67.05511	58.2
68.72107	0.6
69.07067	5.2
69.48441	3.1
74.18247	0.6
79.05500	48.0
81.03428	20.8
81.07064	52.5
82.07408	0.9
91.05487	12.9
94.04200	7.3
95.05002	1.0
95.78039	0.6
98.20681	0.6
107.04967	2.2
107.08595	1.7
109.02889	7.1
109.06528	100.0
109.10165	25.2
109.10931	0.6
110.06052	1.9
110.06841	1.1
111.04454	0.6
120.18826	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
50.43668	0.4
51.02393	0.6
53.03711	0.7
53.03948	11.3
53.62709	0.5
55.01875	7.0
55.05518	3.9
65.03944	5.7
66.04726	1.1
67.05507	36.3
69.07084	2.3
70.58108	1.3
79.05495	47.7
81.03419	9.5
81.07057	44.9
81.07764	0.7
89.52858	0.5
91.05481	13.6
94.04179	4.8
95.04972	1.3
97.17888	0.5
104.42657	0.5
107.04953	1.8
107.08595	1.4
109.02889	2.9
109.06522	100.0
109.10162	17.7
110.06073	0.8
110.06836	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0653
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.02380	0.5
53.03956	9.7
54.86948	0.5
55.01862	1.6
55.05267	0.7
55.05516	7.2
65.03616	0.8
65.03944	15.5
66.04716	1.4
66.62782	0.5
67.05511	66.6
69.07084	4.0
71.31595	0.9
71.31945	0.8
79.05501	25.7
80.06303	0.6
81.02943	0.5
81.03426	13.3
81.07063	57.3
91.05492	39.2
92.05780	0.7
94.04197	57.1
94.07838	1.1
95.05001	0.8
107.04970	24.5
107.08609	1.9
109.02893	4.1
109.06528	100.0
109.10168	28.9
109.10944	0.7
110.06056	2.5
110.06781	1.0
110.10547	0.6
111.04462	3.7
113.39471	0.5
119.06056	3.1
121.03278	0.5
121.04012	3.2
125.81651	0.5
126.13250	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03955	0.6
79.05498	7.4
81.03426	1.5
81.07052	3.5
83.04987	100.0
84.05338	0.7
84.96799	0.5
85.02929	0.5
85.06577	0.5
89.03928	0.5
91.05488	15.3
93.03393	0.6
93.07047	3.9
95.04975	4.8
95.08602	1.2
97.02901	0.5
97.06529	3.0
99.04463	1.4
99.08058	0.5
103.05472	3.4
105.03396	0.6
105.04528	0.9
105.07044	14.0
107.04955	5.0
107.08605	1.6
109.02896	0.5
109.06541	2.1
109.10169	0.6
111.04453	1.7
115.05460	9.4
116.06226	1.9
117.07030	10.8
119.04937	3.3
119.08586	4.4
121.02902	0.8
121.06516	3.8
123.03681	0.4
123.04414	2.4
123.08070	1.3
127.05440	0.9
128.06224	13.1
129.07011	15.2
129.07918	0.8
130.07825	2.8
131.04945	3.3
131.08571	8.2
132.05789	0.5
133.06509	5.3
133.10181	1.6
135.04420	6.0
135.08076	1.8
137.06027	1.3
137.09740	0.6
141.06999	16.6
142.07802	6.5
143.08575	14.4
144.05742	1.0
144.09325	1.7
145.06497	10.1
145.10118	7.2
146.07179	0.5
147.04422	2.5
147.08060	4.3
147.11760	0.7
149.06010	1.8
151.03902	0.8
152.06212	3.5
153.07010	10.8
154.07787	19.1
155.04900	0.9
155.06075	1.6
155.08575	12.4
156.05630	0.5
156.09380	4.3
157.06508	5.0
157.10129	6.0
158.07251	3.1
159.04439	3.8
159.08075	8.2
159.11687	4.1
161.05980	4.5
161.09634	2.2
163.03914	2.5
163.07570	1.5
165.05676	0.7
165.07001	6.2
165.09128	0.6
166.07834	4.0
167.08568	7.1
168.05717	0.8
168.09369	0.6
169.06453	4.0
169.10138	33.6
170.07248	1.5
170.10539	1.0
171.08040	9.2
171.11668	3.5
172.08838	1.6
173.06010	8.2
173.09637	7.2
175.03998	2.2
175.07556	3.6
177.05487	3.5
177.06853	0.6
178.07814	3.4
178.78911	0.5
179.08565	8.9
180.09337	1.6
181.05099	0.9
181.06465	3.2
181.10127	7.0
182.07298	8.0
183.08073	4.5
183.11670	0.6
184.08893	2.1
185.05994	3.1
185.09607	6.5
187.07590	6.3
187.11195	8.4
189.05455	3.5
189.06985	0.5
189.09077	2.3
190.07896	0.8
191.08606	1.3
192.09398	1.0
193.10214	1.5
194.11050	0.5
195.08086	2.3
195.11673	1.3
196.08870	0.9
197.06001	1.7
197.09637	29.5
198.10197	0.8
199.07536	4.4
199.11215	6.6
200.08293	0.5
201.05511	1.9
201.09094	7.7
203.07021	0.8
203.08710	1.1
203.10638	1.1
204.09422	0.9
205.10162	1.6
205.12067	0.6
207.08025	2.5
207.11775	1.4
208.08809	0.8
209.07999	0.5
209.09598	2.8
210.06834	0.6
211.07491	1.1
211.11247	0.8
213.09128	6.3
215.07210	1.4
215.10683	24.2
216.11180	0.8
217.08563	1.1
217.10280	1.1
217.12282	1.2
219.08182	1.0
219.11923	1.2
220.08801	0.7
221.09639	1.6
223.07651	1.0
223.11252	1.7
225.09114	24.5
226.09671	1.1
227.10686	6.3
229.10301	0.8
231.10190	1.6
233.09694	1.0
233.11812	1.7
234.10442	0.7
235.11249	1.5
237.09163	1.0
239.10875	0.7
241.08638	1.6
243.10178	51.9
244.10670	2.3
245.08017	5.9
245.11668	6.5
246.10384	0.5
247.11229	1.5
249.09071	1.2
251.10744	1.5
251.14229	0.5
253.12399	1.5
255.11945	0.7
259.09775	1.8
260.12332	0.5
261.11218	13.2
263.10645	0.9
263.13110	0.6
265.12479	0.9
271.10992	0.5
275.10605	0.9
299.13199	0.5
301.12173	0.6
303.10123	0.7
303.13654	0.8
309.12897	0.6
313.11880	0.5
315.13647	0.5
322.88577	0.5
325.14417	6.7
339.14230	0.5
343.15491	6.8
361.16550	1.8
379.17242	0.8
393.18677	0.8
397.17990	0.9
411.20105	0.6
421.18024	1.5
425.17639	2.3
427.15213	1.1
427.52322	0.6
429.20844	0.6
439.19125	2.8
441.20923	0.7
443.18692	1.7
449.17398	0.9
457.19943	2.6
467.18643	3.6
468.18820	0.7
475.21356	1.4
485.19580	6.4
503.20685	6.3
505.21893	0.7
521.21802	1.6
539.23541	0.8
543.23627	0.7
567.24280	0.8
585.25024	3.4
603.25787	4.2
621.26306	1.1
703.31317	0.7
721.32062	0.8
770.31665	0.8
1106.53174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1078.559
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03892	1.3
79.05494	35.6
81.03419	23.3
81.07056	30.8
83.04988	3.5
83.08625	4.5
84.30412	0.5
85.06480	1.3
89.03850	2.1
91.05480	30.0
93.07044	39.2
95.04965	9.1
95.08604	20.7
95.09185	0.4
97.06474	2.1
97.10169	2.9
99.08039	1.2
103.05460	3.3
105.03357	1.0
105.04455	1.9
105.07033	23.3
107.04941	2.8
107.08587	15.1
109.06523	3.2
109.09498	0.7
109.10154	9.4
111.08022	1.8
115.05422	2.6
117.03329	1.7
117.07012	4.7
119.08579	15.1
121.06474	1.0
121.10144	20.4
123.04370	1.8
123.08008	2.1
123.11691	2.7
128.06152	1.4
129.07016	5.4
131.04958	2.7
131.08569	10.9
131.97417	0.4
132.09322	0.8
133.02864	2.5
133.06413	1.4
133.10117	10.3
135.04407	2.8
135.08046	1.1
135.11693	4.5
137.09590	1.2
137.13194	0.7
141.06927	1.5
142.07733	0.9
143.04869	1.9
143.08490	1.5
145.02808	2.5
145.06494	3.0
145.10123	4.0
147.04382	4.3
147.07983	1.9
147.11688	11.0
149.05988	2.5
149.09621	8.5
149.13284	2.2
151.11232	2.4
153.06982	1.0
155.08499	0.8
157.06470	4.2
157.10153	2.8
159.04414	11.7
159.08060	0.7
159.11697	2.4
160.69366	0.4
161.01152	0.6
161.02345	8.4
161.05983	2.7
161.09497	0.6
161.13193	2.1
163.03908	37.6
163.11131	0.5
163.14761	1.2
164.04303	0.9
165.05399	2.9
165.06918	1.4
165.12755	3.4
167.08466	0.5
169.06451	1.9
169.10231	0.6
171.04344	1.8
171.08023	1.9
171.11716	0.8
173.02341	20.6
173.05983	6.2
173.13226	1.9
175.03911	3.3
175.07492	1.2
175.11198	2.8
175.14853	0.6
176.11830	0.6
177.05399	1.3
179.08568	0.8
181.06444	2.4
183.04390	0.6
183.08047	2.4
184.07378	0.5
185.05997	5.6
185.09581	0.6
185.13130	0.9
186.06245	0.5
187.03909	22.0
187.07510	2.1
187.14819	1.1
189.05507	3.9
191.03313	0.7
191.08453	0.6
193.10443	0.5
193.12221	3.4
195.08018	1.4
197.06055	2.7
197.09587	1.4
199.03903	10.4
199.07520	2.6
200.04576	0.6
201.05467	9.3
201.09064	0.9
203.03365	2.2
203.06920	0.9
203.08623	0.6
205.04962	0.9
207.08044	0.6
209.06021	0.7
209.09648	1.0
210.06676	0.5
211.07527	3.0
211.11322	0.7
211.13258	2.3
213.05476	22.1
213.08771	2.2
215.03537	1.2
215.06918	2.7
217.04997	0.9
221.09642	0.9
223.07626	1.2
223.11131	1.4
225.05391	1.8
225.09007	1.2
227.07013	3.8
229.04916	2.1
233.09851	0.5
237.05347	0.6
237.12695	1.0
239.07010	1.4
239.14299	1.5
241.08534	1.0
241.12262	0.6
241.19673	0.7
243.21106	1.3
247.11203	1.0
249.12640	1.5
251.10506	0.7
259.20551	2.5
261.22153	5.3
265.12250	2.2
267.13803	16.0
268.14212	0.8
275.10596	0.8
277.21613	0.9
281.11847	0.5
283.13333	5.9
285.14810	4.3
287.19937	0.7
293.11719	4.9
305.21222	0.6
308.57196	0.5
309.14838	1.4
311.12732	8.3
311.16412	4.1
313.14359	1.4
317.24689	1.5
327.15939	3.6
333.24188	1.8
335.25809	16.0
336.25980	0.7
337.14316	3.2
341.17383	0.6
355.15393	36.9
356.15424	0.9
357.16968	6.0
361.23752	1.5
373.16507	3.4
381.31503	0.5
411.17813	0.8
429.19113	71.4
430.19638	2.6
431.20746	3.5
446.95950	0.5
447.20212	4.6
529.20648	0.8
579.34668	0.8
587.37555	1.0
597.35199	2.5
603.24518	1.4
605.38782	0.6
615.36871	8.0
616.37622	0.6
621.25336	2.9
633.37854	9.2
634.37579	0.6
647.39417	0.6
651.38361	1.1
661.40723	1.3
665.40253	1.4
671.39166	2.5
679.30402	0.9
679.42053	13.5
680.43048	0.9
689.40472	49.6
690.40735	3.7
707.41516	100.0
708.41827	6.2
881.46771	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	1078.5591
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03926	0.9
79.05496	29.1
80.05834	0.4
81.03419	23.2
81.07061	24.3
83.04979	2.6
83.08622	4.5
84.10201	0.4
85.06549	0.6
89.03937	1.3
91.04893	0.8
91.05485	25.2
93.07047	28.1
95.04974	7.1
95.08608	17.5
96.76183	0.5
97.06519	1.8
97.10165	3.2
103.05473	2.3
104.06276	0.6
105.04524	1.4
105.07036	18.6
107.04954	1.9
107.08599	13.6
109.06518	2.6
109.10162	8.5
111.08097	1.6
115.05424	2.2
117.03393	1.4
117.07008	3.3
119.04897	0.6
119.08589	13.1
121.06551	1.1
121.10147	16.1
123.04436	1.3
123.08096	2.2
123.11715	2.0
125.09656	0.4
127.05468	0.5
128.06244	1.0
129.07007	4.5
131.04968	2.4
131.08575	8.2
131.09544	0.6
132.09349	0.9
133.02899	1.4
133.06514	1.2
133.10139	7.7
133.11090	0.5
135.04462	1.8
135.08063	0.7
135.11694	3.7
137.09575	0.8
137.13261	0.5
141.06996	1.6
142.07808	0.9
143.04939	1.1
143.08580	0.9
145.02856	1.3
145.06496	2.4
145.10138	2.6
147.04416	3.1
147.08069	0.9
147.11699	8.4
149.05992	2.4
149.09625	6.2
149.13268	1.6
150.10466	0.5
151.11195	1.3
152.06244	0.4
153.07040	0.9
155.06094	0.7
155.08572	0.9
157.06512	3.6
157.10161	2.8
159.04425	6.9
159.08147	0.4
159.11737	1.6
161.02339	4.2
161.05983	2.2
161.13280	1.1
163.03912	29.9
163.07597	0.9
163.11139	0.8
164.04271	0.6
165.05521	2.3
165.07045	1.8
165.12712	3.5
167.08583	0.5
169.06476	2.1
171.04446	1.8
171.08090	1.6
171.11740	0.4
173.02353	13.9
173.05968	5.5
173.13335	0.9
175.03906	2.4
175.07570	1.3
175.11220	1.6
176.11884	0.6
177.05583	1.0
177.12799	0.5
179.08633	1.0
181.06508	2.3
183.04440	0.7
183.08112	2.4
185.06003	4.4
185.13300	0.6
187.03912	14.3
187.07556	2.2
189.05486	2.7
191.03384	0.6
193.06488	0.4
193.10532	0.6
193.12248	2.8
195.08099	1.1
197.05991	2.1
197.09727	1.1
199.03923	7.2
199.07520	2.5
199.11249	0.4
201.05486	5.4
201.09129	0.6
203.03415	1.6
203.07141	0.9
205.04930	0.8
205.10153	0.5
207.08133	1.0
209.09674	0.9
211.07480	2.6
211.11296	0.6
211.13345	1.5
213.05473	14.9
213.09071	0.9
214.06114	0.5
215.03520	0.8
215.07031	2.1
217.05046	0.8
219.08209	0.6
219.11647	0.5
221.09705	1.1
221.13338	0.6
223.07597	1.3
223.11215	1.4
225.05539	1.4
225.09132	1.1
227.07048	2.2
227.10632	0.6
229.05008	1.3
231.06628	0.5
231.11844	0.6
237.12825	1.2
238.53973	0.4
239.07121	0.6
239.10822	0.5
239.14354	1.1
241.08647	0.9
241.12338	0.8
241.19562	0.7
243.14043	0.5
243.21245	1.2
247.11220	0.6
249.12830	1.4
251.07187	0.6
251.10796	0.4
255.13998	0.5
259.20587	2.4
261.22195	4.4
265.12256	2.0
267.10846	0.6
267.13791	14.7
275.10602	0.6
277.21652	0.9
283.13345	4.1
285.14880	3.0
293.11700	4.0
309.14810	1.2
311.12845	5.7
311.16510	3.1
315.23273	0.6
317.24866	1.6
319.13510	0.5
327.15884	2.1
329.13925	0.5
333.24289	1.0
335.25830	13.3
336.25964	0.5
337.14517	2.2
355.15411	41.6
356.15588	0.9
357.17059	3.8
361.23813	1.0
366.81653	0.4
373.16562	2.5
375.17783	0.4
411.18192	0.6
429.19113	40.3
430.19421	1.3
431.20660	3.3
442.36761	0.4
447.20175	6.1
554.24756	0.4
587.37640	0.8
597.35583	1.9
603.24579	0.8
615.36975	4.2
621.25562	1.5
633.37805	4.8
634.37671	0.4
647.39435	0.9
651.39691	0.4
661.40924	0.8
665.40540	1.3
671.39264	1.0
679.42023	6.4
689.40485	29.7
690.40521	2.2
707.41547	100.0
708.41864	7.4
727.85559	0.5
851.45776	0.7
863.45306	0.5
881.31256	0.5
881.47058	8.3
882.47913	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02387	0.8
52.35796	0.4
53.03952	7.0
55.01873	1.4
62.99084	0.8
65.03611	1.0
65.03947	14.9
67.05508	4.8
69.37917	4.0
77.03924	1.8
79.05499	39.5
80.05031	0.6
91.05486	100.0
92.05798	0.6
92.06276	3.4
95.04970	6.1
98.21481	0.9
103.71044	0.5
105.04546	3.2
105.07037	29.1
106.04167	0.7
107.04211	0.8
107.04963	28.4
107.08600	31.0
108.08127	0.9
109.06528	8.7
119.06068	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	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02390	0.5
51.73111	0.4
53.03951	4.5
55.01875	1.0
65.03947	15.6
65.04289	0.8
67.05503	3.0
71.12301	0.8
71.92454	0.4
77.03931	1.5
79.05500	24.7
80.05022	0.4
81.03442	0.6
91.05489	100.0
92.05794	0.8
92.06275	2.7
95.04973	3.9
103.05476	0.9
105.04520	1.6
105.07040	29.5
106.04169	1.2
107.04964	14.9
107.08600	28.0
109.06531	9.6
119.06086	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	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.8
53.03951	5.6
55.01873	1.6
62.25546	0.5
62.99071	0.5
65.03941	13.4
67.05511	4.1
71.05119	1.0
77.03921	1.9
79.05499	37.0
79.85525	0.5
80.05815	0.6
81.03423	0.9
84.21103	0.4
91.05486	100.0
92.05792	0.8
92.06274	4.4
95.04977	7.3
100.56695	0.5
103.05489	0.7
105.04545	2.7
105.07036	29.9
106.04184	0.8
107.04961	24.7
107.08601	30.4
108.08161	0.4
109.06525	9.3
119.06065	7.6
122.57283	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02382	3.0
51.78120	0.6
53.03952	21.5
55.01880	3.5
57.43179	0.6
62.28528	0.6
62.99063	1.2
65.03616	0.7
65.03947	8.4
66.92079	0.6
67.05499	2.2
71.46242	0.8
71.54904	0.6
76.74880	0.7
77.03944	4.9
77.64673	0.7
79.05499	50.0
80.05022	1.1
80.05833	1.0
81.03413	2.6
91.05488	62.3
92.06281	1.9
93.05723	0.6
95.04974	18.1
105.04524	10.9
105.07037	17.8
106.04150	0.7
107.04962	100.0
107.08598	18.2
108.04572	0.7
108.05299	0.7
108.08125	1.8
109.06533	6.3
119.06068	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	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02383	0.5
53.03949	3.1
53.24933	0.3
55.01880	0.9
57.56075	0.3
60.64722	0.3
61.65095	0.2
62.38465	0.3
65.03944	13.2
67.05508	2.8
71.27897	0.5
73.19320	0.3
77.03934	0.9
79.05496	16.9
91.05485	100.0
91.22527	0.3
92.05803	0.8
92.06290	2.1
95.04954	2.7
100.70783	0.3
103.05470	0.9
105.04548	1.6
105.07037	28.9
106.04169	1.1
106.07375	0.3
107.04964	12.0
107.08598	29.8
107.24602	0.3
108.04563	0.4
108.08878	0.5
109.06519	9.4
119.06075	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01600	1.1
51.02385	1.7
52.29557	0.7
53.03713	1.0
53.03951	17.0
57.13494	0.7
59.06936	1.1
60.04510	1.1
61.08498	0.9
61.26713	0.6
68.82930	0.7
69.72248	2.6
69.72654	1.7
77.03936	4.3
79.05499	53.7
81.03411	1.7
95.04977	12.5
98.20766	1.3
99.71090	0.7
103.05475	33.3
103.51367	0.7
105.04539	8.1
105.07040	100.0
105.11107	2.5
106.07351	0.9
116.34580	0.7
124.49125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01585	1.0
51.02373	2.9
53.03709	1.1
53.03951	18.3
55.01879	0.9
59.06915	1.0
60.04501	0.8
61.08487	1.5
65.03942	1.2
70.30203	1.8
74.55403	0.6
77.03931	4.5
79.05496	55.9
81.03414	2.1
87.00835	2.0
95.04967	18.0
96.04468	0.8
103.05472	35.7
104.06252	0.8
105.03401	3.0
105.04523	9.4
105.07035	100.0
105.11077	3.6
106.06606	0.9
106.07351	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02375	2.5
53.03713	0.9
53.03951	14.9
55.01883	0.8
59.06933	1.2
60.04533	0.6
62.14559	0.5
65.03935	0.9
70.85392	1.5
75.80368	0.5
77.03927	4.9
79.05497	54.1
80.05836	0.6
81.03424	1.3
95.04974	13.8
103.05477	32.5
105.04538	8.6
105.07037	100.0
105.11081	1.1
106.06540	0.4
106.07376	1.2
111.89312	0.6
121.12228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01602	0.4
51.02385	1.9
52.90839	0.3
53.03949	13.7
55.01860	0.8
59.06931	0.6
60.08170	0.7
61.08493	0.6
64.01131	0.3
65.03953	1.0
70.24015	1.2
72.08427	0.4
77.03929	3.2
79.05496	50.5
81.03423	1.6
91.91833	0.4
95.04972	11.8
103.05473	32.8
104.06248	0.4
105.04526	6.8
105.07034	100.0
105.11098	1.2
106.07401	1.2
107.36511	0.4
109.16186	0.4
118.06519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01581	0.5
50.07503	0.5
51.02380	2.1
52.77504	0.4
53.03714	0.8
53.03952	13.5
57.01519	0.6
65.03931	1.0
69.52350	1.6
69.52762	1.6
77.03937	5.0
79.05499	51.1
81.03404	1.5
87.56689	0.4
95.04975	12.0
103.05474	30.8
105.04528	7.3
105.07038	100.0
106.07379	1.1
121.10271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.7
51.02380	2.2
53.03711	1.0
53.03949	16.7
55.01865	0.7
59.06942	0.5
60.04520	0.8
60.82032	0.6
65.03947	1.4
69.21642	6.0
71.95857	0.5
77.03934	4.7
79.05495	54.9
81.03407	1.5
95.04974	13.5
96.04502	0.7
98.20802	1.3
98.23572	0.6
103.05470	32.7
105.04527	8.0
105.07034	100.0
105.11098	1.5
106.07366	0.9
107.99242	0.6
121.14654	0.7
124.17445	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02369	2.1
53.03950	15.0
53.22020	0.5
55.01871	1.2
55.72260	0.5
58.06586	0.5
59.06919	1.0
65.03940	1.4
77.03935	5.0
79.05499	54.2
80.05838	0.7
81.03423	2.0
87.87985	0.5
95.04976	13.8
96.41952	0.5
98.21605	1.3
103.05474	33.6
105.04531	8.2
105.07037	100.0
105.11054	1.0
106.07410	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01599	1.4
51.02378	3.4
51.59939	0.7
52.73391	0.7
53.03714	1.1
53.03951	16.6
55.01870	0.9
55.26903	0.8
65.03947	0.8
70.75903	2.5
77.03935	6.3
79.05498	55.4
81.03425	1.3
92.64304	0.9
94.74883	0.8
95.04978	12.3
103.05473	32.9
105.04540	7.9
105.07037	100.0
106.55638	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02375	1.5
53.03950	14.0
55.01873	0.8
57.84926	0.4
60.08154	0.5
65.03931	0.8
68.71176	0.5
70.55347	0.4
70.76315	1.6
76.31050	0.6
77.03926	4.9
79.05497	50.4
80.05868	0.6
81.03417	1.9
87.00838	2.6
92.48656	0.5
95.04975	12.0
103.05475	32.5
104.05733	0.6
105.03419	0.9
105.04533	7.7
105.07035	100.0
105.11098	2.0
106.07380	1.4
114.72521	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02382	2.4
53.03717	0.9
53.03954	17.1
58.06592	0.7
59.06934	1.4
61.08490	1.0
69.64568	3.7
77.03948	5.6
79.05501	54.8
79.17796	0.6
80.05811	0.7
81.03416	1.5
87.00839	2.1
95.04977	15.6
103.05479	32.5
105.03443	1.1
105.04536	7.7
105.07040	100.0
105.11093	1.4
106.07404	1.5
120.10966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34681	0.2
55.03991	0.2
58.06604	6.5
59.07379	1.7
60.08168	50.8
69.81389	0.8
69.81797	0.5
74.54694	0.3
78.94777	0.3
82.20560	0.2
87.04457	0.3
87.92983	0.2
93.62146	0.2
98.20842	0.4
98.21381	0.4
104.10752	100.0
105.11087	0.5
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
51.76133	0.3
55.63984	0.3
58.06601	5.7
58.26528	0.3
58.40316	0.3
58.56334	0.3
59.07401	1.8
60.08167	54.8
68.70556	0.3
70.45245	1.1
75.37119	0.3
86.56588	0.3
87.04464	0.3
100.18166	0.3
104.10750	100.0
105.11076	0.4
111.11069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.554
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02926	2.9
78.10944	1.2
79.05495	44.0
80.05059	1.8
81.01331	1.4
81.03424	60.6
81.07063	51.8
82.06572	2.8
83.04978	5.9
83.08623	16.1
84.04509	73.2
84.08140	1.5
85.02907	16.8
85.06541	1.4
86.06073	2.1
87.04462	1.8
90.96266	1.4
91.03952	5.7
91.05484	36.2
93.07045	46.1
95.04971	19.5
95.08611	38.2
96.04501	16.1
97.02912	8.7
97.06533	5.0
97.10178	4.9
98.06062	3.6
99.08067	2.3
102.05547	16.9
104.74707	1.2
105.04536	1.5
105.07043	24.6
107.04951	6.1
107.08611	24.1
109.02850	1.4
109.06528	3.4
109.10161	17.0
110.06050	1.6
111.08072	3.8
117.07040	8.5
119.04905	1.6
119.08601	21.7
120.08990	1.4
121.06522	4.8
121.10152	26.3
123.08070	3.4
123.11736	8.0
124.03978	4.9
125.09648	4.6
127.03931	2.3
129.07028	9.7
130.05009	35.1
131.08585	18.6
132.58530	1.6
133.06483	2.8
133.10124	12.5
134.06032	1.6
135.11719	11.8
137.09622	3.4
139.11215	1.7
142.04950	1.9
142.07753	1.7
145.04880	2.4
145.10095	9.7
147.07683	8.6
147.11710	12.3
148.06055	74.0
149.09621	25.0
149.13258	5.6
151.11220	2.0
152.07056	2.7
156.06575	1.7
157.10149	8.3
157.31894	1.4
157.69624	1.3
159.11700	7.4
161.13277	5.4
163.06017	3.4
163.11153	3.1
163.14784	3.3
165.12798	3.0
167.10742	2.9
169.10052	1.7
173.13289	4.8
174.09340	1.4
175.11163	8.4
175.14818	1.8
177.16507	1.5
184.13326	1.7
187.14922	3.4
189.11263	2.7
193.12253	20.3
194.15402	3.2
202.06920	1.8
204.13872	6.7
210.14842	2.9
211.13159	2.5
222.14874	7.0
227.12785	5.3
232.13306	2.3
233.15408	1.6
235.13185	1.6
240.15996	1.7
243.21150	4.5
244.25449	1.4
246.75557	1.6
248.16582	1.6
249.15031	2.1
250.14401	50.5
255.61320	1.5
261.22159	21.4
267.15933	85.4
268.15427	7.5
273.15048	1.8
275.19955	1.9
276.15982	5.8
279.23273	1.5
294.17145	2.8
301.25220	5.2
309.17062	2.4
312.18225	3.7
317.24835	3.6
335.25830	100.0
336.26260	2.5
360.20215	1.8
370.18558	4.7
388.19543	2.9
414.21307	2.9
425.34045	1.7
432.22202	2.6
435.32648	3.6
446.88559	1.4
453.33670	7.2
471.35086	1.9
490.76102	1.6
527.37329	54.2
528.37506	3.7
545.38379	49.5
546.39093	2.7
569.38196	6.1
613.13013	1.5
620.41461	4.2
630.39807	4.3
648.41046	14.8
653.41449	1.6
666.42249	26.3
667.42310	2.0
674.42090	6.0
692.43744	29.5
693.43341	1.6
800.01483	1.7
836.47876	2.5
854.47931	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	103.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.9
50.39175	0.8
51.02381	3.9
53.03953	35.1
53.99748	0.6
55.01870	1.5
57.03434	0.7
57.39391	0.7
58.06601	1.2
60.08160	2.8
60.13525	0.7
60.24628	0.7
70.98631	1.7
77.03933	9.6
81.03429	2.9
85.02908	1.8
89.29037	0.7
95.04981	30.6
102.04694	5.0
102.96876	1.2
103.04054	4.4
103.05478	100.0
104.05835	0.9
104.10748	7.4
105.04526	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	103.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.9
50.41766	0.6
51.02373	2.9
53.03952	23.4
55.01871	1.2
56.96554	0.7
57.03430	1.6
57.05368	0.9
58.06604	9.2
58.83370	0.6
59.07378	0.6
60.08165	9.6
71.49187	1.1
74.02414	0.7
77.03934	5.9
81.03411	2.8
85.02911	3.0
86.03257	0.9
87.04462	1.8
95.04971	20.8
102.04674	5.4
103.04025	5.2
103.05471	100.0
104.05823	1.4
104.10744	15.9
105.04523	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	1023.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51318	0.5
73.02924	3.8
79.05500	1.7
81.03425	1.4
81.07052	2.1
83.08614	0.6
85.02910	5.4
91.03973	3.3
91.05495	1.8
93.07050	2.6
95.08606	2.2
97.02896	4.9
99.04444	1.4
101.02393	1.9
105.07037	0.8
107.08625	0.7
109.02888	0.9
109.10149	2.2
119.08611	0.9
121.10149	0.5
127.03951	1.5
131.08592	0.6
133.10156	0.7
147.11685	0.6
155.10632	0.6
157.10101	0.5
168.66441	0.4
173.11865	0.5
173.13217	0.5
185.04327	1.2
201.03879	0.6
203.05368	0.9
243.08449	2.1
257.06393	0.5
301.09131	0.6
347.09473	4.1
363.09183	1.5
365.10623	0.9
383.99237	0.5
405.13745	5.8
405.18619	0.6
413.17786	3.9
463.14468	1.3
477.15445	0.6
491.17282	0.5
519.29272	6.5
520.29626	0.6
547.24103	1.7
551.44977	0.5
575.23297	4.9
631.25702	1.3
671.29529	0.5
681.34717	10.1
682.35260	0.5
691.40613	2.3
699.11322	0.4
740.35889	2.7
753.36591	1.3
767.38348	0.7
795.41290	0.7
809.42047	0.6
824.45435	1.5
853.45612	100.0
854.45825	6.7
858.55573	0.4
861.52240	0.5
879.46912	0.7
881.48712	4.8
909.48712	4.0
955.50122	0.5
1023.55188	13.0
1024.56042	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	102.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	100.0
58.06610	9.0
59.07387	8.6
60.95152	1.2
61.65465	0.9
71.34968	0.9
71.35290	0.9
74.02451	33.2
74.06097	11.8
84.04525	8.1
85.02916	2.0
87.06841	2.7
89.21168	1.0
94.18466	0.9
97.94817	0.9
102.05551	19.3
102.09196	15.0
106.98512	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51318	0.5
73.02924	3.8
79.05500	1.7
81.03425	1.4
81.07052	2.1
83.08614	0.6
85.02910	5.4
91.03973	3.3
91.05495	1.8
93.07050	2.6
95.08606	2.2
97.02896	4.9
99.04444	1.4
101.02393	1.9
105.07037	0.8
107.08625	0.7
109.02888	0.9
109.10149	2.2
119.08611	0.9
121.10149	0.5
127.03951	1.5
131.08592	0.6
133.10156	0.7
147.11685	0.6
155.10632	0.6
157.10101	0.5
168.66441	0.4
173.11865	0.5
173.13217	0.5
185.04327	1.2
201.03879	0.6
203.05368	0.9
243.08449	2.1
257.06393	0.5
301.09131	0.6
347.09473	4.1
363.09183	1.5
365.10623	0.9
383.99237	0.5
405.13745	5.8
405.18619	0.6
413.17786	3.9
463.14468	1.3
477.15445	0.6
491.17282	0.5
519.29272	6.5
520.29626	0.6
547.24103	1.7
551.44977	0.5
575.23297	4.9
631.25702	1.3
671.29529	0.5
681.34717	10.1
682.35260	0.5
691.40613	2.3
699.11322	0.4
740.35889	2.7
753.36591	1.3
767.38348	0.7
795.41290	0.7
809.42047	0.6
824.45435	1.5
853.45612	100.0
854.45825	6.7
858.55573	0.4
861.52240	0.5
879.46912	0.7
881.48712	4.8
909.48712	4.0
955.50122	0.5
1023.55188	13.0
1024.56042	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5954
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01360	1.5
71.04991	3.7
73.02921	4.3
77.03941	1.2
79.05498	52.4
80.05819	0.8
80.06271	0.9
81.02982	0.9
81.03418	9.5
81.07059	65.8
82.07347	0.6
83.04986	7.0
83.08147	1.1
83.08621	13.5
85.02909	21.9
85.06557	3.0
87.04472	4.1
87.83083	0.7
88.54754	0.6
91.03957	9.0
91.05482	33.8
93.07047	49.4
94.07841	0.7
95.04974	7.3
95.08612	46.4
96.04486	0.8
97.02897	10.3
97.06534	6.8
97.10172	14.2
99.04463	1.9
99.08092	1.6
103.03962	1.5
103.05495	1.1
105.04523	1.6
105.07034	18.9
107.04943	3.6
107.08596	28.1
109.06540	3.9
109.10160	64.9
111.04460	1.0
111.08084	4.6
115.03922	0.7
115.05505	0.7
117.07019	9.5
119.06149	0.6
119.08592	18.0
121.06523	1.5
121.10149	18.7
123.08067	3.3
123.11717	5.7
125.09642	14.2
127.03929	3.8
127.11179	0.9
129.05487	1.7
129.07025	4.0
130.07776	1.1
131.08571	13.7
133.10136	11.5
133.35060	0.6
133.55817	0.7
135.08067	1.9
135.11700	14.3
137.09608	3.5
137.13239	1.7
139.11168	1.6
143.08572	1.9
143.10695	2.0
145.04953	3.8
145.10135	11.5
147.11697	8.3
149.09651	1.8
149.13266	7.6
151.11163	1.2
153.12672	2.9
155.10654	3.4
157.08908	0.6
157.10065	2.9
159.11664	7.7
161.13252	5.8
163.06021	3.6
163.11195	9.6
163.14857	4.5
171.10248	0.7
171.11737	2.0
171.62532	0.6
173.09633	1.5
173.11742	15.9
173.13278	6.0
175.11171	2.0
175.14835	2.6
177.12836	0.8
177.16467	1.2
181.12262	2.6
181.27660	0.6
183.11679	0.8
185.11748	0.7
185.13242	1.6
187.14851	2.7
189.11214	1.7
191.10617	3.1
193.12257	2.7
199.13287	6.9
199.14859	1.1
201.16383	1.4
209.11732	7.0
211.13272	1.4
215.12701	0.7
215.17986	1.0
217.14470	1.8
227.12793	7.8
229.14357	54.7
233.22722	1.6
241.19586	1.0
243.21043	6.8
245.13872	0.8
257.13818	3.5
259.20663	1.8
261.22156	21.3
262.22336	0.8
267.15909	4.5
271.20642	0.9
277.21680	1.3
279.20071	0.7
279.23111	0.8
283.15466	3.6
289.21707	1.0
299.23740	1.9
301.16461	18.9
306.39243	0.7
315.23193	1.1
317.24634	3.9
327.23276	1.9
335.25821	100.0
336.26169	2.6
345.24088	0.7
351.25534	1.0
363.25156	1.1
399.23792	12.3
459.34647	1.4
469.33664	0.8
477.35831	6.9
489.35803	29.0
490.36026	0.9
505.35519	0.9
527.37457	1.1
543.36877	3.4
545.37659	0.7
561.37817	10.2
579.39124	5.6
659.45215	34.7
660.45313	2.1
831.54114	0.7
1018.55737	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77659	2.0
56.96555	2.7
71.48808	1.8
75.18381	1.8
79.01810	2.2
82.99837	9.6
83.01508	11.7
83.56249	1.5
84.01241	2.1
93.96441	1.6
98.18471	1.7
100.02518	2.4
101.00890	66.7
101.02554	20.7
102.02225	3.4
119.01929	100.0
119.03654	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	1018.5955
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01360	2.3
71.04629	0.9
71.04991	6.4
73.02930	5.8
77.03942	1.1
79.05496	56.5
81.03421	11.4
81.07059	81.1
83.04986	9.6
83.08622	18.5
85.02908	26.7
85.06540	4.6
87.04487	6.1
91.03960	9.8
91.04913	1.3
91.05486	35.8
93.07048	58.5
94.55762	0.8
95.04974	8.0
95.08614	50.4
95.88889	0.9
96.77033	0.8
97.02901	15.0
97.06522	7.8
97.10177	17.2
99.04464	2.1
99.08107	1.8
105.04536	2.2
105.07040	19.7
107.04978	4.1
107.07882	2.0
107.08601	33.9
109.02873	1.2
109.06517	3.0
109.10162	79.7
111.04462	2.8
111.08112	5.7
111.11733	1.1
113.09699	1.4
115.05399	1.5
117.07038	11.0
119.08582	20.8
121.06489	1.8
121.10151	24.7
123.08076	4.3
123.11721	7.9
124.36917	0.9
125.09641	19.1
127.03928	3.7
127.11214	0.9
128.18959	1.0
129.05472	3.8
129.07025	2.7
131.08577	16.2
133.10155	12.6
135.08052	1.9
135.11693	21.2
137.09612	5.4
137.13327	1.3
139.11182	2.0
143.08606	1.4
143.10683	2.7
144.06613	1.1
145.04971	6.3
145.06465	1.0
145.10135	15.9
147.08054	1.9
147.11690	9.4
149.09634	2.3
149.13290	7.9
151.11188	1.1
153.12762	3.5
155.08582	1.9
155.10706	5.7
157.10173	2.8
159.11700	7.7
161.09660	0.9
161.13234	6.1
162.07591	1.0
163.06038	3.9
163.11200	12.1
163.14824	4.7
165.12759	1.1
169.10185	2.5
171.11732	3.1
173.09644	2.3
173.11749	17.3
173.13293	8.7
175.11195	1.2
175.14833	2.0
177.12791	1.0
181.12289	3.0
185.11745	1.2
185.13263	1.9
187.14876	2.7
189.11278	1.6
191.10692	3.1
193.12224	3.6
199.13321	6.2
199.14888	1.4
201.16437	1.6
209.11742	8.0
211.13318	1.8
215.12782	1.3
217.14409	2.4
223.14905	0.9
227.12799	11.5
229.14371	65.3
230.14668	1.0
241.19673	0.9
243.21135	6.3
245.13904	1.6
257.13876	1.0
258.79169	0.9
259.20715	1.3
261.22162	21.8
267.15979	6.7
277.21619	1.2
283.15485	3.1
285.16959	1.4
289.21637	1.9
297.22226	1.6
299.23648	1.5
301.16479	22.0
315.23209	2.1
317.24805	5.1
335.25812	100.0
336.26132	2.9
351.25500	1.0
363.25388	2.4
389.26978	1.4
399.23828	24.4
415.32227	1.1
451.32092	1.6
459.34921	1.4
469.32840	1.9
477.35870	7.3
487.34012	1.2
489.35825	23.6
525.35620	1.3
543.36694	5.6
561.37872	10.2
579.39044	6.2
627.61774	1.0
659.45184	36.1
660.45404	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	1002.6001
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05001	15.4
71.31196	2.1
73.02911	6.6
77.03883	1.9
78.82497	1.4
79.05497	80.4
81.03425	23.4
81.07060	85.1
83.04976	9.5
83.08621	14.0
85.02917	13.7
85.06541	4.9
87.08226	1.3
91.03938	5.7
91.05486	62.9
93.07048	78.2
95.04966	21.0
95.08614	57.8
97.02901	13.9
97.06534	65.4
97.10172	6.6
99.04443	3.2
99.08087	6.9
103.05462	2.8
105.04514	4.9
105.07037	46.6
107.04960	13.7
107.08607	39.0
109.02881	5.5
109.06533	24.8
109.10162	21.1
111.04391	1.6
111.08084	10.0
113.06004	3.2
115.05441	3.6
115.07573	24.0
117.07026	21.2
119.04931	1.8
119.07807	2.6
119.08586	33.6
121.06560	7.4
121.10155	31.8
123.04481	1.4
123.08091	7.0
123.11700	6.6
125.09618	4.7
127.03929	9.3
127.07566	2.6
128.06215	4.9
129.05502	2.7
129.07013	11.7
129.09125	1.8
131.08569	33.4
133.06479	5.5
133.10136	26.0
135.08078	13.7
135.11696	18.1
137.09627	5.9
137.13229	2.3
139.07565	2.1
141.07025	3.3
142.07770	1.8
143.08583	11.8
145.04971	2.2
145.06500	2.7
145.10139	20.6
147.08061	8.2
147.11717	13.9
149.05962	1.6
149.09569	9.2
149.13280	12.0
151.11206	3.7
153.07036	1.6
155.06111	1.3
155.08583	3.6
155.10605	2.0
157.10132	10.4
159.08063	4.2
159.11716	16.2
161.09654	10.2
161.13322	8.9
163.11179	4.5
163.14807	3.4
165.12743	1.6
167.08578	2.0
169.10098	4.7
171.11734	8.9
173.04443	7.9
173.09579	2.6
173.13295	8.5
175.11172	5.7
175.14839	3.4
177.12747	3.8
181.10072	1.7
183.11652	5.8
185.09657	2.4
185.13261	6.5
187.11220	2.6
187.14766	4.4
189.12723	2.0
189.16391	2.6
191.14279	2.4
193.12256	2.4
195.11780	3.4
195.13820	4.5
197.13225	2.2
199.14853	4.1
201.07555	2.7
201.12717	2.5
201.16389	2.6
203.14403	1.9
205.16019	1.6
213.12788	1.6
213.16415	1.6
217.15886	11.4
219.17479	1.9
227.12785	2.8
227.17984	3.0
229.14278	2.4
233.15369	6.8
237.16347	2.8
241.10823	1.6
241.19624	1.8
243.17397	1.6
243.21068	4.5
245.15237	1.8
245.19022	4.0
251.16248	2.1
253.14394	3.6
255.17343	5.0
259.20547	3.3
261.22180	14.1
267.15851	8.9
269.17471	23.3
271.17105	2.0
273.15494	2.8
273.18491	45.1
275.20059	7.1
289.17978	1.7
291.19547	23.1
295.19138	1.7
297.16971	2.2
307.18951	5.3
311.23648	1.4
317.24716	3.0
329.20947	2.5
333.24454	3.0
335.25830	100.0
336.26096	4.0
347.22223	16.9
349.23950	2.4
365.23288	20.7
383.24445	2.4
391.28793	1.7
511.37503	1.6
515.37531	4.2
527.37164	4.5
529.31879	1.8
529.39056	34.7
539.37512	1.6
545.38306	3.5
551.40881	2.4
555.39423	1.7
567.39813	3.5
585.41718	3.6
607.43878	12.0
625.44720	33.6
626.44855	2.1
643.45782	19.8
650.90729	1.6
769.49353	2.1
787.49670	2.0
890.15234	1.6
910.81110	1.7
932.79779	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.6009
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04994	7.5
71.12167	4.5
71.12503	3.7
73.02939	3.6
79.05503	80.9
81.03441	14.8
81.06597	5.0
81.07067	98.9
83.04982	11.1
83.08629	19.6
85.02898	11.5
85.06556	4.3
88.52261	2.9
91.03951	6.3
91.04922	3.4
91.05490	96.2
93.07052	100.0
95.04960	13.1
95.08064	5.1
95.08617	66.1
97.02891	6.2
97.06517	16.2
97.10165	13.7
99.08098	5.9
101.06041	3.0
103.05437	3.9
105.07042	88.0
107.04946	10.9
107.08607	59.6
109.06509	7.2
109.10162	28.1
111.08057	4.6
115.05477	4.9
116.07066	3.5
117.07039	33.2
119.08600	61.5
121.06475	8.4
121.10153	39.0
123.08067	7.0
123.11726	7.2
125.09625	12.4
128.06207	7.6
129.07019	23.0
130.07796	5.9
131.08575	53.3
133.06497	6.7
133.10143	46.7
135.08089	7.3
135.11716	25.9
137.09634	6.1
137.38342	2.6
141.07004	7.6
142.07800	5.0
143.08612	23.0
144.09314	3.8
144.67339	2.9
145.10141	39.8
147.08084	6.6
147.11728	31.9
149.09627	11.7
149.13287	10.7
151.11150	5.5
155.08554	15.4
157.10136	22.6
159.11690	31.3
161.09645	8.0
161.13301	18.9
163.11183	9.4
163.14850	3.5
169.10135	11.9
171.11694	23.4
173.04425	3.8
173.09592	3.3
173.13335	15.1
175.11102	6.8
175.14978	6.7
181.10143	5.7
183.11641	12.0
185.13269	12.8
187.11122	3.1
187.14914	8.9
189.12775	5.6
195.11726	8.5
197.13237	7.5
199.14799	9.9
201.16307	4.6
207.11700	4.9
209.13271	5.7
211.14790	5.2
213.16438	6.3
215.17986	4.1
217.15941	5.7
221.13322	4.2
223.14803	4.6
225.16476	5.1
227.12749	5.8
231.20988	4.5
237.16435	6.0
241.19543	15.6
255.15678	6.2
257.19028	6.0
259.20563	36.2
269.17514	14.7
273.18469	11.1
275.20041	18.5
291.19592	10.7
333.24258	34.7
335.25839	33.1
347.22244	4.2
349.23801	18.4
365.23239	11.7
365.28351	3.3
367.24670	5.0
383.24884	4.5
384.57446	2.9
421.31137	6.4
435.32660	5.5
453.33533	4.7
501.35831	3.1
509.36539	5.0
513.35754	23.3
515.38013	6.7
523.66498	3.1
527.37482	43.7
533.40002	5.4
607.43726	55.3
625.44647	75.1
643.45453	35.5
689.42072	4.5
733.46344	3.8
769.47595	5.5
977.11475	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	1002.6004
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01351	1.5
71.04994	15.3
73.02917	3.7
77.03909	2.7
79.05495	81.9
81.03416	21.3
81.07061	81.8
83.04978	11.5
83.08627	12.1
85.02907	16.1
85.06538	4.2
91.03960	6.6
91.05484	58.3
93.07047	80.1
95.04978	19.0
95.08609	55.4
97.02907	12.3
97.06534	49.9
97.10181	7.1
99.04471	3.4
99.08116	9.1
99.08648	1.5
103.05478	2.4
105.04529	4.8
105.07035	42.7
107.04950	11.1
107.08599	39.8
109.02891	4.6
109.06525	20.4
109.10151	23.4
111.04458	1.9
111.08089	5.1
113.06031	2.1
115.05431	2.7
115.07569	15.5
117.07028	26.9
119.04985	1.7
119.08582	30.8
121.06563	7.1
121.10158	31.0
123.04424	1.5
123.08071	7.3
123.11712	5.3
125.09638	5.4
127.03926	8.2
127.07587	4.1
128.06224	2.7
129.05505	1.8
129.07008	11.2
131.04958	1.8
131.08582	27.9
133.06509	4.5
133.10143	22.9
135.08073	11.0
135.11707	18.4
137.09644	6.7
137.13165	1.8
139.11256	2.6
141.07005	3.5
142.07761	2.2
143.08559	9.5
145.04947	4.5
145.06503	3.4
145.10117	15.1
147.08069	7.1
147.11674	11.7
149.09589	7.5
149.13261	13.9
151.11208	3.7
153.09035	1.4
155.08586	3.2
157.10121	10.2
158.07372	1.4
159.08081	4.6
159.11716	14.8
161.09598	7.0
161.13298	6.6
163.11198	4.7
163.14816	1.7
165.12843	1.7
167.08586	2.0
169.10156	4.0
171.08086	1.8
171.10353	1.9
171.11658	6.7
173.04453	6.7
173.09656	3.3
173.13219	7.0
175.11241	5.3
175.14891	2.5
177.12785	4.4
181.10162	1.5
183.11684	4.3
185.09578	3.1
185.13264	5.1
187.11241	1.6
187.14854	2.3
189.11308	1.9
189.12820	2.0
189.16455	2.1
191.14319	1.7
193.12277	2.0
195.11734	3.0
195.13805	3.9
197.13168	1.6
199.11136	2.8
199.14754	3.3
201.07635	4.0
201.12767	2.9
203.14348	2.5
205.12163	1.6
209.13362	1.9
211.14888	2.0
215.14444	2.1
217.15865	10.5
219.13878	1.3
227.12814	3.5
227.17982	3.0
233.15416	5.3
235.16890	2.5
237.16441	2.4
241.19518	2.6
243.21066	3.3
245.18983	4.5
253.14449	3.0
255.17545	4.7
259.20541	4.9
261.22165	13.4
263.20193	1.9
267.15976	2.1
269.17435	13.1
273.15485	1.9
273.18503	32.2
275.20056	5.2
281.37537	1.4
289.18280	1.3
291.19525	17.0
297.17126	1.5
307.19196	2.3
309.20572	2.2
317.24716	2.7
322.51361	1.4
329.21204	2.7
333.24411	2.8
335.25827	100.0
336.26102	3.3
343.18695	1.4
347.22165	15.0
349.23801	2.0
365.23343	14.2
383.24423	2.0
391.28452	2.7
489.35577	1.7
493.36615	1.5
501.02582	1.6
505.35217	1.9
515.37415	2.6
527.36835	1.4
529.38898	30.0
530.39526	2.7
551.40851	2.0
555.40356	2.5
557.38354	1.9
567.40540	3.7
585.41290	3.4
597.44934	1.6
607.43848	12.1
625.44543	30.6
643.45605	15.2
644.47089	1.6
751.47766	1.5
769.50195	2.0
787.49133	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	999.5537
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	10.7
71.52144	0.9
72.99302	1.0
73.02934	2.2
78.95889	1.0
79.95752	0.5
81.03436	1.0
83.01382	1.4
83.05015	1.1
85.02943	2.7
87.00871	3.4
89.01934	0.8
89.02448	10.8
94.92512	0.6
95.01395	0.7
96.96006	6.5
96.96973	0.6
97.02941	4.5
97.06564	0.7
99.00892	0.5
100.62344	0.5
101.02446	9.1
107.05023	0.5
109.06582	0.7
111.04465	0.5
111.08154	6.0
113.02441	5.5
119.03482	2.5
121.06497	0.6
125.02443	3.7
125.09702	0.7
127.07639	0.8
137.09659	1.1
143.03473	1.9
149.04614	0.6
153.12846	0.6
161.04555	2.2
163.11292	1.5
164.03273	0.4
165.12868	2.9
167.43823	0.5
169.12335	3.7
171.10229	3.4
179.05614	3.0
181.12343	1.1
183.13857	0.6
185.11807	0.5
189.89622	0.6
193.12354	1.2
197.11824	38.7
198.12157	1.5
199.13472	2.3
209.11778	1.2
211.13393	6.2
221.06541	1.3
225.14937	0.6
227.12930	2.7
235.08250	3.0
247.20647	2.5
251.16432	0.6
253.09222	1.0
263.20087	2.2
265.18073	1.2
273.18579	1.3
291.19641	28.0
292.20047	1.2
293.21201	1.2
305.08768	1.2
309.20700	100.0
310.21048	5.4
323.09573	0.5
355.17996	0.5
379.12354	1.5
397.13507	25.0
398.13812	1.4
415.14600	12.9
601.41162	1.6
689.34131	2.3
707.34875	4.1
708.35480	0.9
811.45679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5686
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79395	100.0
83.06584	20.9
86.94866	21.3
93.65087	20.9
100.76704	19.0
120.73027	18.4
181.25052	23.0
232.40677	19.1
248.23283	22.3
284.81165	20.2
311.88904	24.7
355.51221	20.2
686.08801	23.7
772.83167	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	991.5793
Annotation	Unknow
Peak:m/z	Relative Intensity
70.37370	0.3
70.37732	0.7
71.01381	0.2
76.03458	0.3
78.95901	32.1
82.70732	0.2
96.96943	0.3
99.04526	0.3
122.00112	1.1
122.98562	0.2
129.49176	0.2
134.98466	0.3
140.01181	6.6
152.99571	2.9
171.00659	0.9
196.03780	12.8
214.04834	2.9
217.19458	0.2
233.22728	0.6
259.20645	0.6
275.20245	0.4
277.21704	92.5
278.22058	5.9
305.44073	0.3
373.31589	0.3
474.26227	100.0
475.26593	8.4
760.30298	0.2
834.26337	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25571	1.2
69.25976	0.4
71.01385	0.9
73.02963	0.3
80.91048	0.2
83.01373	0.2
83.05027	0.4
85.02947	0.9
85.06597	0.8
89.02393	0.2
93.03436	0.2
96.96023	0.5
97.02949	0.4
99.04498	0.4
101.02438	0.7
107.05021	0.2
109.02959	1.6
111.00890	0.5
111.04482	0.2
113.02480	0.3
121.02990	0.3
121.06570	0.5
122.03739	29.5
123.04145	0.3
123.04469	0.4
123.08138	0.2
124.05297	0.3
125.06055	0.2
127.07671	0.3
133.06598	0.2
134.03735	4.3
135.04535	2.6
135.08212	0.2
136.05322	1.6
137.06071	0.7
139.07649	0.4
148.05298	1.9
149.06076	22.0
150.03186	0.3
150.06894	2.9
151.03946	0.2
151.07652	4.4
151.11230	0.2
153.09207	0.4
157.06577	0.8
160.05261	0.3
161.04730	0.3
161.06055	2.1
161.09674	1.1
162.06868	2.6
163.07640	2.5
163.11317	0.2
164.04800	1.3
164.08403	0.8
165.05544	0.6
165.09161	0.3
167.10725	0.3
171.08194	0.3
171.10266	0.3
173.06285	0.2
173.09709	5.5
174.06697	0.2
175.07625	1.4
175.11174	0.3
176.08420	22.8
177.05510	0.2
177.09187	4.0
178.10005	1.7
179.07104	0.4
179.10774	3.0
187.07613	0.8
189.09200	7.3
190.09987	7.2
191.05612	0.4
191.10773	25.3
192.11098	1.1
193.08621	0.3
195.10284	0.9
197.11856	0.6
203.05603	0.3
205.08679	4.4
206.09370	0.7
216.11516	0.7
217.12280	0.2
221.11804	0.7
223.09750	0.4
231.13869	1.5
232.14529	0.7
233.11826	0.4
234.12581	1.3
235.13388	2.2
247.13441	1.4
248.14165	15.6
249.14948	100.0
250.15292	5.2
251.13008	0.2
253.14383	0.6
259.02820	0.7
263.12848	4.6
264.13278	0.2
281.13876	2.4
291.16052	0.9
333.17194	0.3
393.19174	2.2
394.19360	0.2
411.20175	0.4
423.31451	0.2
453.21301	12.3
454.21567	1.2
470.87848	0.2
700.03473	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.61
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52269	0.4
78.95901	28.4
103.57639	0.3
122.00122	1.0
134.98511	0.4
140.01189	6.3
152.99623	2.1
171.00714	0.3
191.05721	0.3
196.03777	9.6
214.04849	2.4
232.05452	0.3
235.30319	0.3
261.22192	0.5
279.23267	100.0
280.23627	6.7
378.12402	0.3
476.27786	91.4
477.28113	8.2
477.34958	0.5
589.21368	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	4.4
69.78797	2.2
71.01381	23.4
72.76449	0.4
72.99319	2.4
73.02943	6.7
82.64027	0.4
83.01374	5.3
85.02948	17.9
87.00865	1.9
89.02448	9.0
95.01385	3.0
97.02948	5.9
99.00881	2.0
99.04530	0.8
101.02435	10.4
103.04017	3.1
108.02171	0.5
109.02953	0.6
113.02452	7.3
116.77023	0.6
119.03490	1.1
123.00874	1.0
124.01665	22.8
125.02454	10.2
131.03455	0.6
142.02682	0.5
143.03470	1.9
159.02940	0.9
161.04500	2.4
163.06105	0.9
191.05571	0.6
247.84547	0.4
303.39432	0.5
305.17554	5.4
391.29861	0.7
407.33176	8.8
408.33542	1.2
409.34436	0.6
425.34320	0.9
427.24997	0.5
437.42722	0.4
450.13892	0.5
453.33856	0.8
471.34790	23.1
472.35223	2.4
538.16125	0.5
540.62109	0.5
571.39587	0.6
579.36975	2.8
597.37463	0.9
615.38885	5.2
616.39380	1.1
633.40082	1.3
729.42218	14.7
730.42407	3.0
747.43396	1.7
759.46393	0.6
761.44904	1.4
765.44049	1.6
779.46088	5.0
780.45947	0.7
789.43915	1.0
803.45386	3.7
803.58508	0.6
807.45343	5.8
808.45428	1.0
821.46924	27.6
822.47144	3.7
893.49023	46.3
894.49475	8.5
911.50006	12.4
912.50311	1.9
953.51099	100.0
954.51428	21.0
954.66626	0.3
986.71765	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23811	0.7
71.51627	1.2
78.95904	49.7
87.75555	0.6
96.96964	4.3
116.92847	1.6
144.18741	0.6
150.98006	1.0
152.99582	60.6
171.00644	6.9
186.19307	0.6
206.67618	0.8
221.11775	0.9
227.03258	5.5
236.81607	0.6
239.12944	0.7
245.04301	26.9
246.04628	0.6
253.21719	11.1
261.22256	0.6
262.00720	0.6
277.21649	0.9
279.23279	82.4
280.23660	5.6
298.99136	0.7
319.49747	0.6
375.92758	0.6
397.13330	0.8
481.25702	78.3
482.25955	5.5
507.27274	100.0
508.27637	8.2
734.73230	0.7
907.22754	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83137	0.1
71.01011	0.2
71.01383	2.5
72.99306	0.2
73.02942	0.5
80.73888	0.1
83.01382	0.2
85.02962	0.5
87.00871	0.5
89.01929	0.2
89.02442	2.2
89.88373	0.1
91.03876	0.1
95.01390	0.2
97.02933	0.4
98.20685	0.2
99.00865	0.2
101.02439	2.4
108.77094	0.1
113.01838	0.1
113.02467	1.2
119.03479	0.6
125.02423	1.1
131.03479	0.2
143.03522	0.6
149.09735	0.1
161.04501	0.6
179.05602	0.6
221.06471	0.2
235.08206	1.4
253.09302	0.3
263.07404	0.1
277.21713	8.2
278.21918	0.6
287.07657	0.5
305.08771	0.8
315.19623	100.0
316.19940	6.6
323.09732	0.3
379.12161	0.2
397.13483	19.9
398.13806	1.0
407.94550	0.1
415.14554	6.1
416.14880	0.4
671.94263	0.1
675.35791	2.2
675.46570	0.1
676.36407	0.3
825.28802	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	987.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03463	0.8
70.64367	0.7
70.64683	1.4
70.73571	0.6
71.01382	30.0
71.05070	0.6
72.01718	0.6
72.99294	1.5
73.02947	15.2
78.54422	0.6
81.03453	1.6
83.01393	5.5
85.02946	10.3
85.83092	0.5
87.00869	1.1
87.04490	0.7
89.02451	11.5
93.19836	0.6
95.01392	3.0
95.04972	0.7
96.96012	1.3
97.02961	2.0
97.06586	1.0
97.41804	0.6
99.00889	1.4
99.04501	1.2
101.01794	1.2
101.02442	17.0
109.02953	0.5
109.06538	0.8
111.00835	0.8
113.02444	19.5
119.03490	4.5
122.03719	2.4
123.08160	0.8
125.02425	0.9
125.06127	0.8
131.03488	1.8
134.03773	0.8
135.04546	1.1
138.06865	7.8
139.07564	0.5
143.03519	2.8
149.04535	1.7
149.06078	3.3
151.07654	1.9
153.09209	21.2
154.09647	0.9
161.04536	10.8
161.06039	2.5
162.06828	1.4
173.04572	0.8
175.07652	0.8
176.07056	1.1
176.08429	9.5
177.09200	24.4
178.09505	1.0
179.05602	4.0
188.08362	0.7
189.09210	7.8
191.05605	1.6
191.07188	1.0
191.10759	0.7
203.14368	1.2
207.13855	1.8
225.14944	30.1
226.15280	2.1
229.12270	1.4
235.44408	0.6
247.13431	3.3
264.13623	21.6
265.14423	60.3
266.14777	3.5
307.15567	1.2
365.19717	1.0
369.19168	8.4
370.19772	0.7
387.20273	6.7
409.18677	31.7
410.19049	2.1
427.19711	2.6
429.21265	29.4
430.21509	2.7
469.20758	100.0
470.21112	9.7
865.90533	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.545
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	8.1
71.52000	5.4
89.02439	6.6
91.71713	5.4
99.50343	5.0
100.13036	4.7
101.02467	7.6
103.95240	4.8
113.02433	6.5
173.74550	5.2
179.05676	6.7
235.08107	6.0
249.90108	5.5
275.20102	12.5
277.21661	43.6
293.21280	100.0
294.21664	6.6
379.12607	12.9
397.13522	54.8
415.14545	14.3
486.40735	5.8
536.75513	6.0
890.25391	6.1
987.54523	52.8
988.56000	11.6
1022.76068	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	987.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20621	2.6
71.01383	2.7
73.02959	1.5
77.27948	0.2
78.15939	0.3
79.95763	0.3
82.42119	0.2
83.01400	0.5
85.02959	0.9
85.77956	0.2
89.02453	1.3
94.44337	0.3
96.96016	2.0
99.04563	0.3
101.02433	1.3
109.02967	0.5
111.00803	0.3
113.02439	1.3
119.03487	0.4
121.02922	0.3
121.06613	0.4
122.03739	6.0
134.03745	2.5
135.04530	2.8
136.05327	1.3
137.06105	0.4
139.07657	0.4
141.83743	0.2
148.05305	3.9
149.06087	8.2
150.06757	0.8
151.07660	0.9
153.09219	0.4
159.04536	0.4
161.04625	0.8
161.06076	4.2
161.09723	0.6
162.06902	1.4
163.07576	1.4
165.09203	0.8
173.06010	0.3
173.09744	0.6
175.07623	0.5
176.08426	100.0
177.08827	4.4
179.10764	0.3
187.07651	0.5
189.09218	1.2
190.10040	1.8
191.10779	50.8
192.11092	2.3
195.10197	0.4
199.07674	0.3
205.08678	3.2
206.09015	0.4
211.11343	0.4
213.09189	0.5
214.10004	1.0
217.12257	0.5
225.14964	0.4
225.90692	0.3
229.12347	1.9
235.13348	0.5
247.13367	1.2
264.13550	1.4
265.14441	97.3
266.14771	5.9
293.42090	0.3
307.15601	0.5
369.19193	1.1
387.20154	1.2
409.18771	0.6
429.21255	2.8
469.20804	5.6
470.20697	0.5
732.29041	0.3
987.28290	0.8
988.50958	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5738
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	2.0
69.48306	1.3
69.48706	0.5
71.01378	15.5
71.05012	0.5
72.99302	1.2
73.02942	2.2
75.00875	0.3
78.20561	0.3
78.95919	0.9
81.03447	0.6
82.89145	0.3
83.01384	1.9
83.05019	0.4
84.02174	0.8
85.02946	10.3
85.06566	0.5
87.00877	2.8
87.04473	0.3
89.02439	13.0
95.01390	1.2
95.05038	0.6
97.02951	3.2
97.06572	2.1
99.00867	1.0
101.02436	11.3
102.02789	0.4
111.00879	0.4
111.04508	0.5
113.01705	0.5
113.02445	5.8
113.98592	0.3
119.03481	3.5
119.08659	0.3
123.04489	0.3
125.02432	3.8
125.06050	0.5
125.09715	0.8
127.11273	0.9
131.03465	0.8
137.09705	1.2
143.03485	2.1
149.04495	0.5
152.99588	0.9
155.10716	0.4
161.04567	2.5
165.12753	0.6
167.14561	0.3
171.10255	15.3
172.10565	0.4
179.05597	3.1
183.13873	8.4
184.14244	0.4
193.12289	0.6
195.13901	0.6
197.11781	0.5
201.11339	0.9
209.11826	0.7
211.13379	9.1
212.13829	0.4
217.07292	0.3
221.06642	1.3
221.11839	1.2
223.17049	0.6
229.14418	3.8
235.08179	4.3
239.12849	0.4
239.16495	0.3
245.04283	0.8
245.06638	0.4
247.20671	0.4
251.16563	1.6
253.09296	1.1
253.21747	0.7
263.07672	0.7
269.17581	0.9
277.21701	28.0
278.22012	1.8
287.07712	1.1
291.19601	3.4
305.08743	1.0
309.20679	9.8
310.21149	0.8
323.09912	0.8
327.21735	100.0
328.22061	6.9
351.21799	0.4
379.12402	0.9
397.13467	44.3
398.13794	2.2
415.14532	15.7
416.14804	1.2
481.25626	2.1
587.43127	2.2
588.43134	0.4
675.36163	3.1
707.35236	4.9
708.35107	0.5
725.36035	3.2
726.37329	0.3
876.55914	0.4
985.56641	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.558
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03441	1.6
71.01009	1.1
71.01384	17.3
72.99287	1.1
73.02950	3.0
75.00869	0.6
76.75636	0.6
79.95711	0.8
80.91689	1.4
81.03463	1.2
83.01398	1.7
85.02956	3.4
87.00884	3.7
89.02442	15.0
95.01381	2.5
96.96008	10.8
96.96961	0.8
97.02926	4.6
97.06575	0.9
99.00871	1.2
101.02445	12.6
109.02956	0.6
109.06605	1.0
111.08168	5.8
113.02444	7.2
115.52818	0.6
119.03497	4.2
119.08630	0.7
125.02420	4.1
125.09712	0.7
129.01965	0.7
131.03427	0.8
141.01994	0.7
143.03513	2.2
149.04466	0.8
161.04530	3.1
165.12810	1.7
167.10690	0.7
169.12297	2.1
171.10245	4.8
179.05586	4.7
179.14272	0.9
181.12285	1.6
181.13748	0.8
183.13863	0.9
191.05597	0.9
195.13892	6.4
197.11821	26.0
198.12154	0.8
199.13455	1.2
207.13896	1.7
209.11873	1.6
211.13388	5.4
221.06651	1.9
223.13380	5.6
227.12878	1.9
228.13477	0.9
233.15462	1.6
235.08221	4.2
247.20673	1.6
253.09238	0.8
263.07745	1.0
263.16467	0.9
263.20206	1.5
265.10471	0.9
273.18436	1.0
275.20163	7.4
277.21680	4.5
278.22400	0.7
287.07724	1.1
289.18051	5.3
291.19629	18.8
292.19949	1.0
293.21222	100.0
294.21530	7.1
305.08728	2.0
307.19086	1.8
309.20697	76.5
310.21042	5.1
323.09796	1.6
379.12411	2.6
397.13495	38.5
398.13803	2.2
415.14536	19.3
416.15070	1.2
433.37717	0.6
525.73834	0.7
585.41565	2.4
673.34406	0.8
684.57410	0.6
689.34210	1.5
691.35535	3.2
707.34790	2.5
708.17603	0.7
921.52393	1.4
947.53912	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	983.449
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19817	1.1
69.20219	0.3
71.01379	2.7
73.02552	0.3
73.02944	4.0
73.03360	0.2
73.27354	0.1
83.01382	1.3
85.02948	0.4
92.82064	0.2
101.02440	4.4
106.59380	0.1
113.02422	0.6
119.03481	0.2
125.02382	0.2
131.03508	0.2
143.03462	0.2
155.03505	0.2
161.04538	0.6
191.05667	0.2
203.05623	0.8
203.10786	0.3
313.16364	0.2
335.22241	100.0
336.22580	7.8
349.23782	3.6
355.17407	0.2
377.23322	1.8
378.23648	0.4
383.91177	0.2
407.24405	0.2
416.01917	0.2
539.28705	2.0
540.28949	0.2
924.87512	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.5847
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32522	37.9
70.75018	100.0
85.52760	31.7
110.52480	31.0
207.74324	36.5
367.56973	41.9
413.79980	39.6
505.72250	41.9
737.43158	48.4
932.47961	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	981.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	4.5
70.13087	7.8
70.13440	2.8
71.01389	25.4
72.76089	2.6
72.99305	5.1
73.02946	9.8
73.40347	2.2
78.95871	2.1
82.12955	2.4
82.99876	2.4
83.01395	6.9
85.02946	22.1
87.00869	2.4
89.02440	14.5
95.01370	3.0
96.96037	3.5
97.02949	4.6
98.19965	2.8
101.02421	13.7
103.04002	3.4
112.26550	2.1
113.02448	5.6
114.46988	2.1
124.01664	76.8
125.02445	15.6
163.06030	4.3
171.10219	3.4
191.05623	5.9
206.38411	2.1
236.05490	2.8
455.35281	100.0
456.35739	10.7
513.35956	2.2
523.12170	2.8
542.23047	2.3
563.37445	54.4
563.46088	3.3
564.37640	7.6
581.38348	9.1
599.39264	17.2
600.40131	2.6
617.40649	5.6
641.40295	2.9
687.98340	2.4
713.42657	17.3
731.43561	3.1
732.44562	2.3
745.44403	4.7
749.44702	3.0
763.46216	13.3
787.46136	6.2
791.45319	8.7
792.47064	2.7
805.47406	52.9
806.47595	10.4
877.49646	40.2
878.50122	7.1
895.50525	28.3
896.51532	5.7
937.51874	53.2
938.52167	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	971.5501
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19093	37.7
69.19521	26.2
71.01374	11.3
79.29041	6.4
89.02446	18.5
101.02422	15.7
122.32708	6.8
124.16538	6.4
127.10056	5.8
139.90472	6.2
168.78899	6.9
225.03745	6.7
235.08153	6.6
259.20987	7.4
277.18887	9.6
277.21704	100.0
278.22086	13.7
379.12631	21.3
397.13577	43.5
415.14462	14.3
473.04135	6.7
540.12305	7.0
971.55115	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.533
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	0.9
70.91242	0.8
71.01381	15.3
71.52567	1.4
72.99305	1.1
73.02941	2.8
81.91219	0.7
82.26752	0.7
83.01375	1.2
83.05023	3.8
85.02959	5.0
87.00872	3.4
88.04041	35.5
89.02444	14.9
95.88710	0.8
97.02944	3.7
101.02439	10.4
107.41964	0.8
113.02440	7.0
116.63979	0.9
119.03509	3.7
125.02443	4.1
134.59052	0.8
143.03493	3.1
161.04559	3.3
163.11278	2.4
165.12848	2.3
179.05629	4.9
191.05571	1.5
193.06656	0.8
209.11818	100.0
210.12109	4.4
221.06697	1.7
227.10788	1.0
227.12901	15.9
235.08231	6.6
253.09171	0.9
277.21710	56.2
278.22067	3.9
287.07590	1.8
305.08704	2.7
323.09988	1.9
379.12357	14.0
380.13055	1.1
397.13489	52.5
398.13751	3.0
415.14575	9.9
416.41693	1.1
489.44757	1.0
589.24896	4.9
607.26263	3.4
655.17682	1.1
657.34863	2.8
675.35699	5.8
850.32098	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44456	1.9
75.02371	0.3
79.95739	7.1
80.96516	2.0
94.98093	0.4
95.95234	4.9
96.96011	100.0
98.20641	0.5
98.95578	0.4
108.02197	0.3
110.97562	0.5
122.97566	2.3
135.04514	0.7
145.02931	0.6
146.03738	19.3
147.04384	0.8
150.03261	1.3
151.04114	0.2
161.06088	6.0
162.03204	0.9
162.06441	0.3
163.03954	0.9
164.04791	12.3
165.05557	1.2
177.05608	0.5
179.07132	13.3
180.07417	0.3
195.06625	0.6
216.73584	0.2
258.01965	0.9
275.02316	4.7
276.02609	0.3
383.96252	0.2
455.10150	80.4
456.10480	7.6
457.10370	0.7
962.66943	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62106	1.7
70.63827	2.3
70.64161	3.0
71.01384	100.0
72.99296	2.1
73.02954	29.0
83.01387	15.7
85.02950	43.6
87.00876	7.1
89.02445	35.6
89.02863	1.3
93.03460	6.7
95.01381	11.6
96.96005	4.9
97.02994	2.4
97.06593	1.7
99.00893	13.9
101.02444	57.6
113.02448	51.8
119.03503	10.4
133.02937	2.6
135.04562	2.0
143.03496	5.2
149.04585	2.7
159.02994	4.4
161.04549	32.6
165.05539	2.2
173.04536	2.4
179.05640	6.1
182.28975	1.6
191.05647	12.0
193.79277	1.7
215.07222	2.0
215.11214	2.1
321.03387	1.8
379.09982	1.9
381.22800	24.5
399.23877	52.5
400.24219	4.9
408.97803	1.8
441.24881	67.9
442.25262	6.5
564.95294	2.0
953.39410	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	971.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32079	5.8
69.32487	14.0
71.01381	100.0
72.99306	3.7
73.02947	26.2
82.34878	2.3
83.01393	16.6
85.02952	49.4
87.00887	4.5
89.02443	26.4
93.03450	4.5
95.01391	7.1
96.96017	3.4
98.19916	3.6
99.00887	11.0
101.01800	4.1
101.02451	48.0
113.02447	43.5
119.03474	9.1
143.03493	4.6
159.03035	3.7
161.04541	27.5
173.04483	3.3
179.05553	9.1
183.13861	2.9
191.05611	9.4
330.98203	3.4
381.22751	17.6
399.23868	55.4
400.24506	3.7
404.74182	3.1
441.24893	69.5
442.25006	10.8
480.65201	3.2
918.46356	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	967.5631
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01898	0.3
69.03445	2.0
70.63821	0.9
70.64147	0.3
71.01379	23.9
71.05009	1.0
72.99293	1.9
73.02943	3.8
75.00858	0.4
80.02654	0.4
81.03442	1.1
83.01382	2.5
83.05018	0.8
83.83336	0.3
85.02949	6.2
85.06588	0.4
87.00877	6.2
87.04491	0.9
89.02443	22.0
95.01389	1.8
97.02959	3.9
97.06571	0.9
99.00879	1.4
101.02441	18.2
102.06979	0.3
107.05036	0.4
107.33935	0.3
109.02937	0.5
109.06605	0.8
111.00875	0.8
111.04479	0.8
111.08160	5.9
113.02451	10.2
116.89651	0.4
119.03496	5.5
119.08601	0.5
121.02911	0.6
123.04512	0.6
124.01616	0.6
125.02453	7.7
127.07625	0.5
131.03508	0.7
137.09711	1.0
139.03903	0.6
141.01884	0.5
142.27162	0.4
143.03502	3.4
149.04544	0.8
149.09573	0.3
151.11261	0.6
153.12827	0.8
161.04532	4.6
165.12859	0.6
167.10754	0.6
169.12340	2.2
171.10260	3.7
177.12602	0.4
179.05592	5.5
181.12297	1.4
183.13902	1.0
185.11729	0.6
191.14467	0.4
195.13902	1.1
197.11819	24.6
198.12170	1.1
199.06081	0.5
199.13380	1.5
205.16010	0.5
207.13864	0.9
207.17528	0.8
209.12065	0.4
209.15460	8.9
210.15749	0.4
211.13400	5.0
213.11385	0.5
217.07103	0.6
221.06641	2.4
221.15450	1.4
223.13509	0.5
223.17039	5.4
225.14929	5.9
227.12825	0.9
229.19707	0.9
233.15460	3.1
235.08212	7.3
235.10419	0.7
237.14838	0.3
245.06644	0.6
247.20699	0.8
251.16507	11.3
252.16899	0.7
253.09195	1.0
259.20679	0.3
263.07614	0.5
263.20190	1.7
265.18036	1.0
273.18607	2.6
277.21707	63.6
278.22031	4.5
287.07712	2.3
291.19647	23.9
292.19946	1.5
305.08865	2.3
308.49756	0.4
309.20691	100.0
310.21011	6.6
323.09821	1.4
379.12408	4.3
397.13486	56.1
398.13828	2.3
415.14557	19.0
416.14880	1.0
595.27081	0.5
675.36017	1.1
684.55469	0.4
689.33887	1.8
707.35321	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41972	4.9
69.42391	6.3
71.01381	60.3
72.99323	1.7
73.02950	15.9
82.55476	1.4
83.01395	7.9
85.02950	30.0
87.00867	3.6
89.02446	16.4
93.03407	1.9
95.01397	5.5
96.96008	3.1
99.00879	7.8
101.02441	33.1
109.06596	2.9
113.02457	24.4
119.03494	6.3
125.02498	1.8
131.03494	1.6
135.93326	1.5
143.03459	3.1
152.22534	1.7
159.02957	2.0
161.04555	18.1
179.05653	2.2
191.05614	5.2
235.17087	1.9
379.21127	6.3
381.22665	4.4
397.22247	33.4
398.22638	3.6
399.23917	11.9
439.23355	100.0
440.23743	20.5
441.24542	23.9
442.25049	2.0
470.64908	1.6
509.06702	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	967.563
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01912	0.8
69.03445	2.2
70.52104	0.7
70.52438	1.5
71.01380	19.2
72.99297	1.4
73.02943	3.7
81.03467	0.8
83.01382	2.0
83.05014	1.4
85.02939	5.6
87.00863	4.6
89.02447	16.6
92.54373	0.6
95.01384	1.5
97.02956	11.8
97.06551	1.1
101.02445	13.4
109.06542	0.7
111.08152	1.9
113.02440	8.1
119.03504	4.7
125.02444	4.9
125.09707	0.8
127.07652	0.9
137.09721	1.7
143.03485	2.7
161.04533	3.4
163.11145	0.7
165.12720	0.9
169.12328	0.9
171.10284	6.4
179.05597	5.2
181.12291	0.7
183.13870	4.7
195.13875	1.4
197.11818	11.4
199.13239	0.6
207.13855	0.7
209.11745	1.8
209.15422	1.9
211.13390	4.0
221.06631	2.8
221.15411	1.3
222.73729	0.6
223.17014	2.3
227.12994	0.8
233.15469	5.6
233.65771	0.6
235.08240	6.1
247.20662	1.4
251.16505	10.3
253.09314	1.3
263.07840	0.9
263.19968	0.8
273.18597	1.6
277.21707	46.8
278.22049	2.8
287.07648	2.0
291.19635	19.0
291.22964	0.8
292.19971	1.8
299.20062	2.1
305.08740	2.0
309.20697	100.0
310.20938	6.5
323.09741	1.4
379.12354	3.9
396.57101	0.8
397.13489	35.8
398.13995	2.9
415.14523	12.4
416.14786	0.7
543.40552	0.8
675.36041	1.3
689.34070	1.2
707.35156	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	967.5637
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03474	0.6
71.01380	8.3
71.05025	0.3
71.53352	0.6
72.99318	0.5
73.02949	1.2
75.00882	0.4
78.95904	0.6
81.03458	0.4
83.01388	1.2
85.02932	2.0
87.00893	1.9
89.02444	7.9
93.03414	0.5
95.01392	0.5
96.87678	0.3
96.95991	0.4
97.02941	0.9
99.00892	0.6
101.02445	5.3
113.02441	3.4
116.92828	0.3
119.03493	1.7
121.10188	0.4
125.02441	2.2
131.03465	0.5
141.01953	0.4
143.03470	0.9
152.99583	1.3
161.04553	1.6
166.23570	0.3
171.10284	1.2
176.15260	0.4
179.05602	2.1
179.14452	0.6
181.12317	0.4
195.13893	6.8
196.14525	0.6
205.12372	0.6
205.15947	0.6
211.13278	0.5
221.06607	0.9
223.13361	5.6
228.13635	1.0
231.21178	0.3
235.08212	2.4
245.04262	0.9
253.09239	0.6
255.23334	1.4
256.13196	1.4
256.23526	0.6
265.21585	0.5
275.20193	4.9
276.20444	0.7
277.21536	1.3
287.07776	0.6
291.19638	1.5
292.19879	0.8
293.21225	100.0
294.21545	7.7
305.08810	0.7
309.20737	1.4
323.09787	0.6
354.83713	0.3
379.12506	1.0
397.13501	16.8
398.13840	1.1
415.14560	10.3
416.15155	0.5
481.24966	0.4
482.26233	0.9
483.26932	1.5
484.27243	1.0
569.41669	1.5
576.10504	0.3
673.34393	0.7
691.35266	2.7
692.36072	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01368	0.5
71.52016	0.3
71.52384	0.3
72.99351	0.2
73.02948	0.3
76.63722	0.2
79.67870	0.2
79.95737	36.3
80.96528	0.6
83.01411	0.3
89.02416	0.2
93.03478	0.2
95.94612	0.4
95.95235	10.1
96.96013	69.4
97.95943	0.5
98.95564	0.4
101.02461	0.4
103.30183	0.2
108.02169	0.4
109.96805	0.2
110.97583	4.7
123.04517	0.4
135.04536	0.3
137.02443	1.8
141.95796	1.3
149.99921	0.7
150.03253	0.4
152.46312	0.2
159.04564	0.2
161.06058	0.3
163.04083	0.4
164.04782	0.3
164.98637	0.4
166.28232	0.2
173.04454	0.3
175.05783	0.2
175.07549	0.5
177.05583	0.6
191.05626	0.9
259.02814	1.5
273.04410	0.4
301.03842	0.4
315.05435	0.5
329.13950	0.6
330.14172	0.2
418.50449	0.2
424.08310	3.8
425.08521	0.4
439.10663	100.0
440.10992	13.6
441.10577	0.6
469.20752	0.3
604.79218	0.2
688.64935	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
70.12626	68.0
70.13020	64.3
71.01360	50.2
76.42011	29.8
78.95939	47.3
79.29057	30.4
80.82917	34.9
80.96509	42.5
81.39423	35.6
89.96729	34.0
101.02451	32.9
142.14615	35.5
142.66290	34.4
180.79150	33.0
191.05536	38.3
198.80455	35.6
209.11784	100.0
370.64026	39.6
450.46115	42.8
737.67908	38.5
760.05542	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	27.7
71.53559	1.3
71.53977	2.4
73.02952	11.5
83.01404	4.0
83.05025	1.4
83.35655	1.1
83.80688	1.1
85.02948	13.9
89.02452	6.2
91.67108	1.1
93.06902	1.3
95.01359	3.7
99.00864	2.2
101.02445	17.1
109.06602	1.9
113.02458	13.8
113.09098	1.1
119.03484	1.4
142.45145	1.2
143.03412	2.0
159.02974	1.7
161.04535	10.2
191.05608	2.1
233.15450	10.5
235.16922	2.7
309.81201	1.3
379.21164	4.3
397.22275	21.9
439.23352	100.0
440.23819	10.2
707.93188	1.4
852.14478	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26044	0.5
70.06934	1.1
70.07337	0.8
71.01391	3.0
78.95902	19.5
83.01383	0.5
85.02976	0.6
87.00869	0.5
89.02444	2.7
96.96935	1.4
98.20553	0.7
101.02454	2.9
113.02453	1.4
116.92888	0.5
119.03502	0.8
120.97877	0.4
125.02404	0.7
125.09719	0.5
152.99582	34.0
156.86865	0.4
161.58009	0.4
171.00630	1.1
171.10255	0.5
179.05615	0.5
195.13980	0.6
211.13342	3.4
223.16965	1.0
227.03256	3.3
233.15375	0.5
235.08250	0.7
245.04306	1.0
251.16524	3.7
255.23277	100.0
256.23608	5.8
277.21707	8.0
278.22043	0.7
290.18658	0.8
291.19632	5.8
293.21216	0.5
299.20206	1.4
309.20801	5.0
379.12357	1.4
397.13492	6.4
398.13705	0.7
415.14526	1.9
429.07837	0.5
483.27261	99.9
484.27637	9.5
689.33661	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.5781
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	9.7
71.51958	5.2
76.45126	2.5
78.95892	6.8
87.00863	3.6
89.02435	10.5
101.02441	8.3
102.32376	2.9
102.72142	3.1
113.02428	3.6
116.92873	14.8
134.03735	4.2
135.04477	4.0
145.02975	3.0
149.06073	30.1
152.99573	2.8
159.53870	2.8
160.05231	2.6
161.04559	3.4
173.06041	3.2
175.07683	7.9
189.09152	13.0
190.10002	39.4
203.10625	2.8
211.13396	50.3
212.11821	3.9
222.76836	2.7
230.13083	4.4
240.11650	2.9
248.14157	35.1
253.09296	5.9
265.46503	2.8
269.15598	3.1
277.21725	54.8
278.22092	4.4
301.21719	4.4
304.16763	6.1
332.16098	6.9
339.19742	5.3
355.22821	9.8
357.20667	6.6
365.20828	3.5
383.22223	5.9
384.23074	3.4
397.23703	6.8
401.23099	3.3
413.26773	6.2
415.24875	9.4
441.26382	35.3
442.26630	3.8
443.71475	3.2
459.27484	75.7
460.27951	11.0
677.35669	17.2
695.36444	68.6
696.36810	7.0
955.57861	100.0
956.58063	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	958.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38161	1.3
78.45409	0.2
79.95737	26.6
80.96527	0.4
93.03501	0.2
95.95222	0.2
96.96007	0.7
112.02476	0.2
135.04517	3.2
143.04575	0.2
149.06104	0.2
156.05093	0.2
163.04010	44.1
164.04347	1.4
177.05644	0.3
178.06349	48.7
179.06712	2.1
187.16100	0.2
187.66452	0.2
193.08691	41.5
193.60619	0.2
194.05640	0.2
194.09027	2.1
227.52907	0.2
247.05501	0.2
258.01886	1.2
273.04376	100.0
274.01740	0.3
274.04697	4.6
380.95996	0.2
641.95612	0.2
684.24365	0.3
956.83997	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01887	13.5
69.03442	3.3
69.36639	3.3
69.37057	2.2
70.47235	0.7
71.01377	20.4
72.99317	1.0
73.02942	5.2
81.03441	3.3
83.01374	2.8
83.05012	2.5
85.02946	8.2
87.00877	17.8
87.04492	1.0
89.02431	6.0
93.03455	100.0
94.03780	2.7
95.01387	1.9
97.02894	0.9
98.20718	1.4
99.00873	3.4
99.04499	0.9
101.01810	0.9
101.02441	11.5
101.06078	2.5
109.02949	1.6
111.03823	1.1
111.04520	12.3
113.02454	8.3
119.03500	2.4
121.02957	1.2
124.01639	1.6
125.02402	1.5
129.01904	2.1
133.02963	4.7
134.03748	6.6
135.04510	13.1
137.02452	1.8
143.03465	2.6
155.03455	2.9
160.01610	2.2
161.02403	1.0
161.04559	4.5
162.03268	1.9
168.03740	0.7
173.04535	50.6
174.04881	1.5
175.64362	0.7
177.01929	1.2
179.03459	2.2
179.05670	1.2
191.03973	1.3
191.05594	15.1
197.82518	0.8
201.05571	1.7
231.10287	5.8
255.19713	0.9
275.09259	7.5
286.95322	0.9
297.20786	0.8
308.08759	1.0
351.07141	1.0
383.32294	0.9
396.40680	0.8
399.23853	38.6
400.24234	3.7
408.65533	0.9
417.24893	28.1
418.25183	2.4
421.12152	0.8
449.14499	98.5
450.14917	7.4
459.19574	1.6
459.25916	23.7
460.26102	2.9
467.15314	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
70.77003	0.5
71.01382	19.0
72.99281	0.8
73.02945	17.7
79.95749	1.4
83.01395	6.4
83.05006	0.6
85.02950	4.9
85.06568	0.8
87.00885	1.2
89.02445	5.1
95.01381	0.8
96.96012	2.4
97.02956	0.6
101.02442	19.6
109.02944	1.8
113.02451	12.9
119.03481	2.6
121.06551	0.6
122.03739	25.9
125.02452	0.9
131.03505	2.3
134.03743	3.1
135.04517	2.0
136.05280	1.2
137.06064	1.0
137.09731	0.9
143.03488	2.3
148.05316	1.6
149.04562	3.7
149.06065	19.3
149.09727	0.4
150.06900	2.4
151.07664	3.1
152.07942	0.4
153.93626	0.5
155.03539	0.8
157.06554	1.1
161.04573	9.3
161.06013	1.5
161.09691	0.8
162.06825	1.8
163.04018	0.9
163.07640	2.0
164.04791	1.9
164.08415	0.6
173.04768	0.6
173.09714	4.5
175.07605	1.4
176.08420	19.9
177.09155	3.3
178.06439	0.6
178.10005	1.2
179.05682	0.6
179.07135	1.1
179.10750	3.0
187.07579	1.0
189.09196	6.3
189.12816	1.2
190.10005	5.8
191.05656	1.2
191.09009	1.1
191.10760	24.0
192.11101	1.0
193.08691	1.0
203.05644	1.4
205.08693	4.6
206.09390	0.7
216.11411	0.5
221.06699	3.7
221.11838	0.9
231.13911	0.9
234.12550	1.2
235.13336	2.0
247.13356	1.7
248.14168	13.6
249.14943	100.0
250.15291	6.2
251.15611	0.6
259.02832	1.8
263.12875	3.5
273.04367	0.7
281.13956	2.6
291.15930	0.9
300.89297	0.6
393.19128	2.0
393.34006	0.5
411.20303	1.5
453.21344	12.0
454.21835	1.3
455.10257	1.4
597.60394	0.6
617.36584	0.6
766.98309	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03117	0.2
69.26952	1.4
71.01395	0.2
73.02947	0.5
74.78540	0.2
79.95738	33.1
80.95702	0.2
80.96533	0.4
95.94600	0.4
95.95235	9.3
96.96013	65.1
97.95930	0.2
98.20674	0.3
101.02425	0.4
108.02166	0.4
110.97582	4.3
132.75586	0.2
135.04558	0.2
137.02434	1.6
141.35822	0.2
141.94847	0.2
141.95776	1.1
149.99864	1.2
150.03220	0.2
159.04462	0.2
160.05272	0.3
163.03979	0.5
164.98549	0.3
175.07574	0.3
177.05499	0.6
244.00601	0.2
259.02780	1.8
273.04230	0.3
301.03940	0.3
315.05411	0.6
329.13876	0.8
377.84363	0.2
424.08337	4.0
425.08890	0.2
439.10654	100.0
440.10986	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	951.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	37.7
71.52186	0.7
72.01733	0.8
72.99313	1.7
73.02944	14.0
79.95733	0.9
83.01390	6.3
85.02950	20.5
86.98483	0.6
87.00874	1.6
89.02437	6.4
95.01384	3.0
95.95274	0.8
96.96008	14.7
97.02924	0.9
98.95626	0.9
99.00874	5.2
101.02443	27.4
113.01726	1.1
113.02454	16.7
118.24483	0.6
119.03492	2.0
125.02437	1.2
129.01956	1.0
137.09702	0.6
139.07645	1.0
143.03465	2.2
146.03735	2.7
155.10808	3.6
159.02930	3.4
161.04558	16.0
161.05905	0.8
162.04997	0.8
164.04791	1.6
179.07121	1.5
203.05592	1.3
227.16493	7.1
275.02179	1.0
301.79459	0.6
371.20767	6.6
389.21808	38.2
390.21887	3.0
431.22836	100.0
432.23236	8.4
446.35052	0.7
455.10248	9.9
456.10446	1.8
457.10315	1.9
631.63184	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25511	5.0
69.25919	1.5
71.01381	33.4
71.05014	5.4
72.99306	1.5
73.02950	11.0
78.06932	0.8
83.01380	4.1
85.02950	16.2
87.00899	2.0
88.89584	0.7
89.02444	10.2
95.01388	2.3
96.96003	2.1
98.03744	1.5
99.00885	3.9
100.56403	0.7
101.02438	22.4
102.02773	0.7
113.02453	15.3
114.10490	0.7
119.03502	4.0
123.08220	1.0
124.05356	1.3
124.72136	0.7
125.02498	0.9
137.09737	2.7
139.07648	5.5
143.03471	1.4
153.09200	3.2
155.10771	25.1
156.11011	0.8
159.02962	1.1
161.04539	11.5
162.04863	0.7
179.05522	0.9
191.05634	3.7
197.25406	0.7
203.05630	2.8
227.16507	50.8
228.16826	3.6
371.20737	11.2
372.20975	1.0
389.21805	32.2
390.22253	2.5
429.21127	1.3
431.22824	100.0
432.23117	10.5
451.32700	2.5
475.21521	1.2
538.07776	0.8
669.74469	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5686
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	1.2
70.63760	0.9
71.01379	17.6
72.99290	1.9
73.02930	2.7
79.01897	0.5
81.03424	1.1
83.01384	2.3
85.02948	5.1
87.00882	4.8
89.02441	14.8
95.01356	1.7
97.02918	2.6
99.00871	1.0
101.02441	12.6
109.02970	0.5
113.01727	0.5
113.02447	7.7
116.92724	0.4
119.03508	4.5
121.10233	0.9
125.02443	6.3
126.52339	0.4
127.04012	0.5
131.03488	0.9
139.04004	0.7
141.01874	0.6
143.03487	2.7
157.08652	0.5
161.04553	3.8
171.10246	2.4
177.16557	0.4
179.05606	4.5
183.10257	1.2
183.13892	2.2
183.43892	0.4
191.32776	0.4
195.13895	4.4
196.14482	0.5
199.06146	0.6
205.46803	0.5
207.10233	0.6
210.21509	0.4
211.13330	0.9
217.07179	0.7
221.06621	1.9
223.13438	3.1
228.13609	0.5
235.08189	5.8
235.17023	7.5
236.17453	0.5
248.29776	0.4
253.09253	0.9
256.13138	0.7
259.08102	0.4
263.07678	0.5
269.06570	0.4
275.20142	17.3
276.20444	1.1
277.21704	51.8
278.22046	3.5
287.07736	1.9
291.23389	0.5
293.21216	100.0
294.21564	7.0
298.07336	0.5
305.08841	2.4
323.09967	0.8
379.12439	5.3
380.12622	0.5
397.13489	39.2
398.13892	3.0
415.14545	13.7
416.15054	0.5
673.35065	0.7
675.36310	0.7
691.35730	1.0
980.10211	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	30.1
72.99304	1.4
73.02950	12.9
77.27833	1.4
79.95722	2.2
83.01386	4.4
85.02946	14.2
86.12199	1.6
87.00851	2.6
89.02434	15.4
93.03459	1.5
95.01370	3.9
96.96001	4.5
101.02448	22.6
113.02444	23.6
119.03472	5.9
121.48966	1.5
125.02474	1.6
127.52396	1.4
131.03494	1.6
138.06854	2.4
143.03490	2.9
149.06107	1.9
153.09221	7.1
157.18491	1.4
161.04532	10.5
163.43257	1.3
164.04820	1.8
174.82922	1.6
176.08400	15.6
179.05681	3.8
179.56415	1.6
191.05640	4.8
191.10760	5.5
195.13873	3.4
201.57974	1.3
207.13855	3.6
216.58012	1.8
221.06598	2.0
225.14963	14.2
265.14432	13.6
369.19153	59.8
370.19485	5.8
387.20230	20.9
389.18173	1.8
429.21268	100.0
430.21713	12.2
620.73138	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	947.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76627	5.4
70.94083	0.8
71.01382	31.6
72.99306	1.9
73.02958	8.5
79.95757	1.3
82.44242	0.8
83.01396	3.2
85.02952	11.2
87.00877	1.5
89.02444	21.2
93.03427	1.2
95.01394	3.3
96.96013	9.9
98.20541	1.7
99.00848	2.1
101.02443	21.5
101.26484	1.0
102.02747	1.3
113.02444	22.7
119.03524	8.7
131.03577	1.1
143.03508	3.0
149.04547	1.6
161.04552	7.3
162.03217	29.4
163.03601	1.7
177.05560	24.5
178.05838	1.1
179.05582	3.6
189.12900	2.5
191.05582	2.4
195.13850	4.6
207.13802	1.4
225.14957	5.6
228.14207	0.9
309.98239	1.0
369.19144	60.1
370.19431	5.0
387.20239	33.5
387.24060	0.6
388.20419	2.8
429.21271	100.0
430.21561	10.4
453.08560	19.0
454.08820	3.4
489.05585	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
70.52728	59.9
70.53132	58.1
78.95904	51.1
88.98812	100.0
93.03493	36.9
101.36687	35.0
105.06159	27.5
107.07465	30.6
116.95404	33.1
209.11755	45.0
214.83409	29.4
255.23305	86.6
277.21671	64.0
286.90060	39.5
289.18195	43.9
493.77780	29.4
545.50861	36.1
566.22766	33.2
753.06641	32.8
933.65833	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
68.94918	5.2
70.74284	5.0
71.01390	30.1
85.02952	11.6
87.00876	9.3
88.98800	20.5
89.02444	26.1
97.02925	6.5
98.20708	9.5
101.02442	21.9
113.02451	10.0
113.09660	5.2
116.92831	6.4
119.03428	8.3
122.74031	5.0
125.02424	17.4
179.05493	8.3
193.59103	5.4
198.95955	5.0
209.11784	6.2
229.40286	5.4
235.08237	9.8
237.76627	5.6
255.23314	65.4
256.23660	15.2
277.21777	12.4
288.63358	5.1
293.21216	19.1
294.21692	10.5
381.10294	5.3
397.13516	100.0
398.13715	36.3
415.14481	28.8
416.14880	9.3
492.42258	5.9
542.38708	5.3
601.49292	6.5
654.38342	9.2
734.87335	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	943.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17270	0.4
69.17680	2.1
71.01379	1.5
73.02950	0.7
85.02953	1.3
87.00880	0.3
87.04519	0.8
96.95999	2.2
99.07910	0.2
101.02443	0.6
101.06067	0.5
110.93959	0.2
113.02438	0.6
121.06590	0.3
122.03738	40.7
123.04140	0.9
124.05327	0.9
125.06058	0.3
134.03755	0.8
135.04561	0.3
137.06044	0.4
148.05341	0.3
149.06079	5.4
150.06836	0.4
151.07635	2.7
153.09192	1.4
161.09702	0.8
162.06947	0.3
163.07620	0.7
164.04826	0.3
165.09138	0.5
176.08405	1.7
177.09158	0.4
178.10040	0.5
179.10782	2.2
189.09300	0.3
191.05725	0.3
191.10759	4.5
192.11021	0.4
193.08829	0.5
205.08556	0.4
207.10287	0.5
207.44305	0.3
231.13792	0.4
249.14973	1.7
252.13686	1.4
265.14423	7.9
266.15192	9.8
267.15991	100.0
268.16333	6.3
303.66882	0.3
351.21744	11.0
352.21854	1.4
409.18829	0.4
429.21265	26.8
430.21686	2.5
469.20526	1.5
513.26904	1.2
589.28748	0.3
638.11182	0.3
723.91083	0.3
748.80792	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	27.4
80.96517	18.1
85.02953	15.0
89.02447	19.1
93.41761	8.3
94.14276	8.1
97.02951	8.6
99.00864	16.3
99.92616	11.5
101.02447	9.5
116.92856	100.0
117.01955	10.4
125.02417	9.5
207.10318	32.7
208.10559	12.6
209.11815	50.3
210.12172	12.8
225.11324	25.2
226.11731	24.7
244.70409	8.5
257.58099	9.1
277.21671	43.7
278.22009	30.2
294.59259	9.9
397.13663	18.1
885.48383	14.0
886.48108	54.0
946.47327	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	946.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
69.83086	12.9
70.64252	19.8
71.01383	42.1
75.00907	11.3
80.96518	19.5
87.00879	20.5
89.02441	25.8
99.00819	17.8
101.02467	25.1
116.92866	30.0
125.02467	20.2
161.04541	14.3
207.10324	15.7
208.10635	14.7
209.11891	100.0
210.12135	30.2
225.11438	30.5
226.11487	14.0
243.12302	17.1
277.21729	67.4
278.22028	37.3
336.06711	12.9
397.13370	55.8
398.13971	26.0
623.93091	14.5
771.54126	14.1
814.33044	16.0
886.47784	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	943.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	1.3
71.52021	0.3
73.02951	1.0
83.01383	0.4
85.02932	1.2
87.04523	0.8
89.02374	0.2
96.96007	0.4
97.02959	0.2
98.28419	0.2
99.04538	0.2
101.02433	0.9
101.06066	0.5
108.02193	0.2
109.02990	0.2
110.03313	0.2
113.02444	0.7
121.06660	0.2
122.03733	40.6
123.04099	0.9
124.05286	0.9
134.03712	1.2
135.04471	0.3
136.05287	0.3
137.06108	0.2
142.79256	0.2
148.05305	0.4
149.06068	6.1
150.06726	0.5
151.07646	2.6
153.09181	1.4
157.06723	0.2
161.04605	0.2
161.09721	0.7
162.06876	0.2
163.07628	0.5
165.05519	0.2
165.09225	0.3
175.50186	0.2
176.08418	1.2
177.09161	0.3
178.09966	0.5
179.10785	2.1
189.09196	0.3
191.05576	0.2
191.10764	5.7
192.11121	0.2
193.08716	0.3
203.93188	0.1
207.10249	0.3
221.11758	0.3
229.12300	0.2
231.13925	0.5
249.14934	1.6
251.12848	0.9
252.13641	1.1
256.99817	0.2
264.13672	0.3
265.14423	5.4
266.15182	9.9
267.15985	100.0
268.16312	7.2
326.40033	0.2
351.21732	10.1
352.22037	1.0
356.64032	0.2
387.88083	0.2
427.19647	0.2
429.21255	30.9
430.21576	3.5
469.20743	0.6
513.27087	0.5
535.42310	0.2
781.44226	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
67.83243	0.9
69.03459	2.8
71.01382	18.2
71.05011	2.3
72.99331	1.3
73.02941	2.7
75.00859	1.8
81.03458	1.3
83.01383	1.5
83.05015	1.5
85.02956	3.6
87.00879	7.5
89.02444	8.3
95.01390	1.3
97.02948	10.8
97.06576	3.1
98.20696	2.2
99.00886	20.1
99.04501	1.1
101.02454	8.6
109.06560	1.3
110.03748	1.5
113.02460	6.4
116.92860	1.3
119.03522	1.3
123.08144	0.9
125.02457	9.0
125.09731	4.6
135.08208	1.0
139.04030	1.3
140.54111	0.9
142.02731	2.6
143.03554	1.5
161.04517	2.4
163.11298	10.8
163.81537	0.9
171.44235	1.0
179.05597	2.6
181.10846	1.6
181.12352	23.3
182.12598	1.2
199.13423	4.2
207.10260	59.9
208.10620	3.8
209.11781	1.3
221.06650	1.3
225.11324	92.1
226.11632	4.0
235.08209	2.6
243.12367	32.6
263.07690	2.2
267.12262	1.5
277.21722	53.2
278.22018	5.3
287.07800	1.2
317.16006	3.4
397.13501	8.1
541.52509	1.1
605.24542	28.8
606.24695	4.1
623.25635	27.0
624.25836	3.1
793.43585	1.2
883.46991	100.0
884.47375	23.3
903.07397	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
65.49180	1.0
69.03441	1.8
70.64064	3.6
71.01381	16.4
71.05045	1.2
71.45629	1.1
73.02945	3.2
75.00851	1.3
77.97985	1.1
83.01376	2.1
83.05025	1.6
85.02950	5.5
87.00878	7.0
89.02450	9.8
95.01373	2.0
95.05006	1.7
97.02937	12.2
97.06589	3.9
99.00880	23.5
101.02429	10.4
109.06567	2.3
110.03734	1.3
113.02419	6.9
118.67873	1.4
119.03468	2.5
123.08107	1.1
125.02433	6.9
125.09713	7.9
126.31303	1.1
135.08110	1.2
136.05299	2.1
142.02734	1.8
143.03453	1.9
161.04538	2.4
163.11295	11.9
179.05450	1.7
181.10835	1.7
181.12332	19.7
197.11650	1.6
199.13377	3.4
207.10260	64.6
208.10640	2.5
225.11305	88.1
226.11646	3.6
235.08183	4.0
243.12349	31.1
247.64565	1.0
263.00769	1.1
263.07776	1.4
277.21707	67.4
278.22021	4.7
323.10013	1.2
379.12448	3.5
397.13525	11.4
398.13696	1.9
415.14450	2.0
495.36053	1.2
605.14789	1.5
605.24445	21.6
606.24567	2.9
623.25470	12.3
624.25409	1.4
632.94489	1.2
883.46948	100.0
884.47211	24.3
921.12189	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	937.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	0.2
77.20843	0.2
79.95735	6.3
80.96523	1.3
82.28358	0.2
94.98094	0.6
95.94608	0.3
95.95235	7.4
96.96009	100.0
97.95924	0.2
98.20668	0.6
105.03444	0.6
110.97603	0.4
121.02980	0.3
122.03728	0.3
122.97578	2.7
123.04510	0.2
133.02960	0.4
136.01707	0.3
147.04488	0.2
149.02377	0.2
150.03235	2.1
151.04015	2.2
161.02432	9.6
162.03217	1.1
163.03996	0.3
165.05591	1.6
176.03323	0.4
176.04785	6.2
177.05385	0.9
179.03493	17.6
180.03960	0.6
191.07112	2.5
192.07553	0.2
193.05067	0.2
194.05823	19.1
195.06401	1.2
209.08177	14.4
210.08479	0.6
229.41833	0.2
242.99481	0.2
245.01195	0.2
258.01987	0.6
259.03015	0.3
271.02496	0.3
275.02298	6.9
276.02682	0.4
300.02664	0.2
301.03510	0.2
463.08743	0.6
475.51764	0.2
485.11209	71.2
486.11551	7.2
771.09332	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.515
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51772	0.2
115.19575	0.2
115.71060	0.2
116.92831	0.5
128.48477	0.2
139.79501	0.2
143.00075	0.2
153.55222	0.2
240.91998	0.2
260.62222	0.2
301.21701	100.0
302.22049	7.4
302.25601	0.3
327.02576	0.2
596.52478	0.2
937.51093	1.4
938.51929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.555
Annotation	Unknow
Peak:m/z	Relative Intensity
67.84472	0.7
71.01382	23.5
71.05024	5.5
72.99310	0.9
73.02946	7.4
75.32155	0.6
76.42914	0.7
81.03458	4.4
83.01389	3.2
83.05027	9.7
85.02949	12.1
87.00861	0.9
89.02445	6.8
95.01370	2.3
98.03752	1.3
98.20657	2.7
99.00880	2.2
101.02443	15.0
113.02454	13.2
119.03489	2.5
123.08163	0.7
124.05330	0.7
125.02487	1.0
125.07164	1.3
128.46346	0.7
129.01917	0.7
137.09769	0.9
139.07643	5.5
143.03574	1.2
143.08200	0.9
153.09192	3.9
155.10779	20.9
156.11087	0.9
159.02971	1.6
161.04570	8.7
174.54533	0.7
191.05586	2.3
199.09685	0.9
203.05605	2.2
207.15002	0.8
209.15547	1.3
224.17780	1.4
225.16052	5.9
227.16531	41.3
228.16788	2.0
333.23044	1.4
367.27069	1.0
371.20731	10.3
371.25165	1.2
372.21051	0.9
389.21768	29.9
390.22058	2.0
431.22836	86.7
432.23077	8.9
433.21100	1.4
433.31921	5.9
450.14426	1.3
451.32877	100.0
452.33127	14.6
453.33313	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	932.5647
Annotation	Unknow
Peak:m/z	Relative Intensity
68.39472	0.5
69.69946	1.1
69.70335	1.2
78.95901	4.4
80.96465	0.5
90.53135	0.5
91.81853	0.4
99.04517	25.0
115.11150	0.5
125.95969	0.4
145.03197	0.4
148.76262	0.5
152.99606	0.9
154.79765	0.4
159.81848	0.4
168.04327	0.7
191.05637	0.8
204.70502	0.5
224.06940	1.2
242.08035	0.6
277.21710	17.0
278.22110	1.1
315.19626	49.1
316.19974	4.3
317.21106	3.1
362.39093	0.5
415.24866	100.0
416.25183	10.7
502.29388	26.8
503.29498	2.2
541.30029	0.5
649.20575	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
70.74704	0.7
71.01349	0.7
79.95736	8.1
80.96526	1.8
94.98077	1.0
95.95241	5.3
96.96012	100.0
97.95958	0.6
98.95615	1.1
110.97551	0.7
112.52580	0.5
116.49517	0.4
122.97590	6.0
135.04501	0.6
145.02969	0.7
146.03741	21.5
147.04169	0.8
150.03233	2.5
161.06104	7.4
162.03246	1.3
163.04012	1.4
164.04793	14.6
165.05409	2.2
177.05539	0.6
179.05557	0.8
179.07121	15.6
195.06572	0.7
195.22778	0.5
196.24171	0.5
205.05257	0.5
245.01390	0.9
258.02078	0.8
267.15915	1.0
275.02319	11.4
276.02777	0.5
316.20093	0.5
455.10168	94.3
456.10474	10.7
457.10559	1.2
567.34204	0.7
675.84235	0.5
782.38593	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
66.11738	1.8
70.22937	1.8
71.01379	11.4
78.95900	3.6
83.01391	3.6
85.02951	3.6
87.00863	2.9
89.02435	9.3
96.96001	2.2
98.20733	6.0
99.92572	2.3
101.02436	7.5
113.02419	5.7
116.92860	6.0
119.03505	1.9
125.02467	5.6
133.05104	2.3
143.03506	2.0
152.99625	4.6
157.08752	1.9
161.04533	4.9
163.11293	2.3
179.05585	5.6
209.11815	100.0
210.12148	6.0
221.06590	3.2
227.12883	25.4
235.08208	6.8
246.26561	2.1
253.09277	2.9
277.21722	57.5
278.22058	3.4
315.69690	2.2
323.09927	3.0
355.72833	2.2
379.12460	12.0
397.13504	66.9
398.13641	7.0
415.14459	14.8
485.18335	2.5
522.45709	2.0
589.24487	4.0
607.26068	5.6
657.34503	2.9
675.35938	5.0
921.46265	27.9
922.46851	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	921.461
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94236	11.2
71.01376	17.2
73.02930	3.3
78.95903	2.6
80.96507	2.9
82.95388	2.8
83.05013	2.5
85.02978	3.2
87.00844	4.6
89.02438	9.2
101.02419	8.9
113.02409	7.0
116.92899	2.6
117.97610	2.5
119.03513	3.3
125.02415	5.1
147.58669	2.3
161.04570	4.8
162.26848	2.0
163.11282	3.2
171.10278	4.1
174.07320	2.1
179.05582	5.8
209.11821	100.0
210.12178	3.8
227.12868	20.4
229.95628	2.1
235.08127	6.9
245.71971	2.2
277.18854	4.1
277.21698	51.1
278.22076	7.7
379.12332	12.8
397.13498	58.1
398.13867	4.7
399.14243	2.8
415.09641	2.3
415.14520	10.2
589.24585	6.2
607.25372	10.9
657.34344	3.6
675.35846	4.0
835.78241	2.5
885.48340	2.6
921.46252	24.8
922.46582	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	927.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
67.60822	0.3
69.35616	2.2
79.95280	0.6
79.95741	8.3
80.96526	2.0
93.03469	0.4
94.75716	0.3
94.98077	1.2
95.95236	5.2
96.96011	100.0
107.76349	0.2
110.97579	0.7
122.97598	5.0
134.03604	0.3
135.04549	0.9
136.01654	0.5
137.02370	0.3
145.02972	0.8
146.03738	21.7
147.04225	1.1
149.02646	0.3
150.03230	2.3
159.88156	0.3
161.06073	6.4
162.03206	1.4
162.06416	0.3
163.04004	1.2
164.04790	15.6
165.05539	2.0
170.20584	0.3
174.58475	0.3
177.05554	1.1
179.07127	14.4
180.07480	0.7
180.98277	0.3
184.89726	0.3
186.35576	0.3
191.05658	1.2
191.61195	0.3
195.06673	0.6
220.90787	0.3
245.01115	0.4
247.99185	0.3
258.02081	0.6
275.02310	9.8
276.02750	0.5
350.79831	0.3
455.10156	86.6
456.10501	7.9
457.11441	0.4
682.10773	0.3
776.42731	0.3
901.35065	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	1.4
71.01380	100.0
72.99302	1.2
73.02924	3.5
80.96523	3.3
81.03465	1.8
83.01374	2.0
85.02958	7.2
87.00879	7.9
89.02438	18.0
95.01366	2.4
97.02947	6.4
98.20696	2.0
99.00863	2.5
101.02434	15.1
109.06639	6.4
113.02443	10.2
119.03484	5.8
125.02412	7.6
125.09707	1.5
127.11261	2.6
133.05086	1.2
143.03493	2.7
152.99559	1.4
155.10748	1.5
161.04535	3.2
163.11238	4.5
171.10258	51.9
172.10599	2.8
179.05580	7.0
191.05632	2.4
199.07967	1.9
199.09724	12.9
199.13335	2.3
201.11357	13.6
207.10255	16.4
215.12827	4.3
216.13307	1.8
225.11293	14.9
235.08293	6.1
243.12343	3.0
249.21002	1.5
253.09213	2.2
275.20227	1.7
277.21713	69.8
278.21997	7.7
279.22678	1.8
287.07819	1.2
305.08853	1.5
353.43475	1.2
379.12408	4.7
397.13504	40.0
398.13879	4.9
415.14612	10.6
623.25128	2.0
857.44891	1.6
883.46814	9.6
884.47290	3.7
901.48071	2.7
919.48462	17.2
920.49023	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	919.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
68.35773	4.7
71.01380	13.5
78.95914	16.9
80.96543	8.0
88.98805	38.7
89.02432	12.3
89.35877	4.2
96.96008	13.3
97.02933	5.4
98.19877	15.2
99.00916	7.5
101.02454	7.0
117.21149	5.1
136.24472	5.1
141.32516	4.8
152.99559	18.6
181.12352	5.9
197.47498	4.3
207.10233	22.6
225.11330	49.4
230.21765	6.5
240.57312	5.0
243.12375	14.1
245.04251	4.7
253.21579	5.5
255.23399	4.9
277.21707	41.5
397.13565	20.8
481.25732	39.2
605.24548	13.8
623.25256	9.2
759.80194	5.4
821.53979	5.7
826.52576	4.8
883.47003	100.0
884.47003	20.3
919.44464	64.8
920.45508	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	919.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99836	2.3
71.01379	100.0
72.01730	2.3
72.99311	2.4
73.02953	3.6
78.95930	2.4
80.96507	2.5
83.01395	4.6
85.02963	5.3
87.00852	8.7
89.02454	15.5
93.05747	1.9
97.02961	5.5
98.20677	4.8
99.00847	2.7
101.02447	17.7
109.06599	5.8
113.02442	9.2
119.03493	4.6
124.07779	2.0
125.02448	7.8
134.70810	1.8
143.03514	2.4
152.57220	1.8
161.04593	4.9
163.11256	4.4
171.10249	56.5
172.10641	3.3
179.05595	5.1
183.94894	2.2
191.05557	3.4
197.12064	2.0
199.09750	11.4
201.11331	20.3
207.10237	18.7
215.12805	10.5
216.13295	4.9
216.64522	2.1
219.47377	1.8
225.11330	13.2
235.08226	3.7
243.12518	1.9
253.09232	2.0
277.18857	3.7
277.21738	48.5
278.22064	5.9
379.12421	4.0
397.13477	30.3
398.13773	3.0
415.14563	9.9
415.69446	2.2
443.13806	2.2
470.28015	2.0
623.24817	2.8
883.46704	6.8
884.47388	3.8
901.46277	2.3
919.48126	21.5
920.48083	5.5
946.77649	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	919.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
65.11394	1.4
71.01380	17.2
71.13094	2.4
72.99264	1.9
73.02947	1.7
78.91854	1.4
78.95907	1.6
79.57893	1.2
79.95715	1.3
80.96516	2.6
83.01369	2.2
85.02963	6.8
87.00869	5.6
89.02435	13.7
95.01332	1.6
96.96016	1.3
97.02933	3.8
99.00863	4.9
99.54946	1.1
101.02451	10.8
113.02464	5.7
115.17454	1.1
119.03455	3.6
123.08197	1.5
125.02437	3.6
125.09706	4.0
127.11250	3.8
128.72554	1.2
134.65498	1.4
143.03458	2.0
155.10789	1.7
161.04530	2.3
163.11224	3.6
165.09258	1.6
166.38069	1.5
171.10226	2.7
179.05591	1.7
181.12331	5.6
182.84909	1.1
183.10196	1.7
191.05583	2.6
198.87187	1.3
199.13336	3.9
201.11317	47.5
202.11745	2.2
207.10268	10.9
221.06834	1.5
225.11328	14.1
226.82928	1.4
243.12302	5.1
272.59415	1.4
277.21719	44.4
278.22025	4.4
317.21298	11.1
318.21545	1.6
341.10837	2.2
397.13525	7.6
415.14642	1.6
437.44220	1.6
530.79065	1.4
605.23950	1.8
623.24713	1.7
883.46814	10.0
884.46967	1.9
901.47913	6.6
919.49042	100.0
920.49353	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	917.511
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99535	1.4
69.03432	1.4
71.01380	15.3
73.02932	2.7
78.95882	3.0
80.96509	4.3
82.98374	1.5
83.05029	5.6
84.02145	1.5
85.02958	1.9
87.00877	3.1
89.02437	12.1
95.64330	1.5
97.02962	1.8
98.19907	4.9
101.02435	8.2
113.02426	6.4
119.03535	2.2
125.02483	1.9
143.03433	1.7
148.41246	1.3
161.04527	3.4
163.11263	5.2
165.12881	2.1
179.05595	4.2
185.13313	1.2
188.22804	1.6
199.77945	1.3
202.96271	1.5
209.11829	100.0
209.34833	1.4
210.12144	4.4
211.13126	1.3
227.12877	11.4
228.13228	1.6
235.08167	5.4
259.15405	2.9
277.21713	49.4
278.22153	3.1
287.07645	1.5
294.82245	1.5
305.08926	2.1
321.23944	1.5
339.48489	1.7
379.12680	6.7
397.13495	31.5
398.13876	1.7
415.14545	7.3
421.24011	1.7
516.08331	1.6
607.25708	2.0
917.46735	4.2
918.48224	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	919.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25356	4.9
71.01408	12.4
71.52479	9.6
78.95910	8.9
79.95746	5.9
80.96548	12.7
81.15924	4.7
88.98815	24.1
91.21183	5.1
96.96008	15.9
99.00876	9.6
108.67198	5.4
152.99590	17.6
179.05724	5.8
181.12265	6.2
207.10248	31.2
209.11847	8.1
225.11281	58.6
243.12318	19.4
245.04266	11.4
277.21701	45.5
359.10623	6.3
397.13565	12.4
465.88925	5.7
481.25647	18.4
550.61389	6.3
605.24524	21.3
623.25470	30.5
883.46869	100.0
884.47540	23.1
919.44751	69.2
920.45459	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	915.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
65.16184	0.5
67.01891	0.7
67.54723	0.5
69.83746	1.6
71.01379	6.5
73.02954	4.7
73.48857	0.5
78.33807	0.6
79.95734	1.6
80.96493	0.7
83.01375	1.3
85.02947	5.8
85.06586	0.8
87.00858	1.5
89.02438	1.5
90.57655	0.5
93.03450	2.7
95.78465	0.5
96.96016	1.5
98.19892	0.6
99.00924	0.8
101.02444	6.5
109.02952	1.8
111.00922	0.5
113.02458	2.5
121.06589	0.6
122.03739	24.4
125.02373	0.7
134.03726	3.5
135.04523	2.5
136.05246	1.1
137.06073	0.6
140.06961	0.5
143.03487	0.7
148.05287	1.2
149.06070	17.1
150.06796	2.2
151.07613	4.2
151.11449	0.7
157.06523	0.7
161.04565	2.9
161.05962	1.2
161.09676	0.6
162.06842	1.9
163.03865	0.6
163.07648	3.1
164.04805	7.4
167.10797	0.6
173.04626	0.9
173.09691	4.8
175.07556	1.2
176.08421	19.0
177.09180	3.1
178.09930	1.4
179.07120	4.7
179.10786	2.6
181.12337	0.8
187.07648	1.0
189.09190	5.8
190.09949	5.2
191.05634	8.2
191.10771	23.2
192.11116	1.3
195.10226	1.1
203.03986	0.7
205.08670	3.2
231.13933	2.0
234.12706	1.3
235.13309	1.7
247.13397	1.2
248.14186	13.7
249.14948	100.0
250.15309	7.4
254.32925	0.6
259.02731	6.4
263.12939	3.1
281.13943	2.9
289.11841	1.3
291.16132	1.1
313.16495	3.6
331.17578	8.9
333.10980	1.2
363.40680	0.6
373.18655	16.9
374.19086	1.9
393.19211	4.0
399.07822	0.6
411.19827	0.8
453.21271	14.6
454.21588	1.8
496.55701	0.6
705.22467	0.7
897.27570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
68.40090	1.2
68.49632	1.2
71.01376	15.3
72.99279	1.7
73.02946	2.5
78.24967	1.2
78.95918	1.3
80.02693	1.7
80.96531	4.3
81.03481	1.3
83.01384	2.0
83.05010	5.8
84.02170	1.5
85.02968	3.9
87.00884	3.8
89.02445	11.6
95.01391	1.7
96.95996	1.9
97.02960	3.4
98.19886	3.1
98.29676	1.2
99.00900	2.3
101.02436	10.6
102.05653	1.2
113.02457	6.4
115.39091	1.4
119.03524	3.3
124.26275	1.4
125.02445	9.3
143.03572	1.4
161.04523	4.3
163.11244	3.9
165.12851	3.2
179.05623	3.2
191.10762	1.6
197.00948	1.2
202.07628	1.3
208.04433	1.1
209.11815	100.0
210.12094	6.8
210.42618	1.2
221.06566	1.4
227.12849	13.5
235.08197	5.6
244.11668	1.3
259.15503	8.1
277.21713	59.3
278.22055	4.1
287.07840	2.5
323.09784	1.8
379.12326	7.2
397.13480	48.4
398.13882	3.2
415.14420	10.6
423.62286	1.3
470.67902	1.5
607.26660	2.4
675.36139	2.3
917.46130	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	909.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
64.76224	4.5
71.01391	11.6
71.53004	4.9
71.53378	5.6
73.02946	15.4
88.98779	5.9
93.03506	5.5
96.96022	9.4
101.02462	11.3
122.79789	4.8
133.63684	4.8
191.05602	11.4
192.50056	5.4
299.20102	33.1
521.27570	100.0
522.27826	17.2
528.03918	5.4
551.56219	5.7
817.87646	5.0
915.16687	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	909.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	13.2
72.99321	2.4
73.02944	9.4
74.56077	1.8
79.95752	16.0
80.96532	4.3
83.01383	13.6
83.72306	1.9
85.02954	6.6
87.00880	2.8
87.04513	4.2
89.02438	2.3
93.03463	7.6
96.96027	16.2
98.20657	4.7
102.79478	1.9
111.00889	2.3
111.04511	2.1
113.02468	3.7
121.02962	8.4
122.03730	17.1
122.66653	1.9
123.04578	3.0
134.03773	2.4
135.04550	4.3
136.05328	2.2
137.02466	4.9
137.06071	3.5
139.07681	2.0
139.11287	24.3
147.04440	2.5
149.02434	2.9
149.06099	13.4
150.03239	10.7
150.06781	2.0
151.03763	2.3
151.07672	2.6
158.03729	2.4
159.04503	15.2
160.05293	42.6
161.06093	12.9
162.03145	2.2
162.06831	1.9
163.04001	12.6
164.04788	61.6
165.05290	3.9
169.12341	5.3
173.04585	2.4
173.06059	6.9
173.09679	3.4
175.07637	37.2
176.08353	10.3
177.05544	9.3
178.06335	12.2
179.07115	39.6
179.10774	6.1
180.07518	4.2
181.12329	8.1
183.10249	25.9
189.09131	2.8
190.10016	2.5
191.05624	12.3
191.10751	12.5
192.07957	2.5
193.08736	5.1
195.13875	2.8
197.11743	4.5
205.08794	2.0
207.10291	2.7
225.11269	17.7
236.18898	1.9
243.12477	15.5
248.14151	5.5
249.11241	4.2
249.14940	54.8
250.15338	5.2
259.02802	63.0
260.03195	3.3
263.12811	3.7
291.12204	2.8
315.12314	10.8
327.14490	5.2
329.13931	100.0
330.14322	11.7
337.10904	4.5
345.13461	3.1
359.15018	9.8
387.16544	8.6
433.11050	2.1
453.21289	5.6
747.32489	16.5
909.37909	90.5
910.38507	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	905.5745
Annotation	Unknow
Peak:m/z	Relative Intensity
64.14977	0.8
68.37870	0.7
71.01388	1.0
71.52435	1.0
75.00873	6.0
78.95899	23.5
80.96496	1.9
84.39603	0.7
86.93400	0.8
96.96970	1.7
130.17062	0.7
134.07986	0.7
152.99579	37.9
171.00620	8.2
171.10216	1.2
186.76299	0.8
191.05461	0.8
227.03281	2.8
245.04286	34.0
246.04626	1.5
253.21713	14.8
277.21725	1.5
309.20758	1.1
461.78281	1.0
481.25699	100.0
482.26035	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	907.324
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	85.1
71.52364	1.4
72.01729	1.0
72.99302	7.3
73.02947	2.4
83.01385	3.2
85.02953	13.6
87.00860	4.9
89.02444	100.0
90.02780	1.3
93.03460	1.7
95.01387	6.2
96.96035	1.3
101.02442	48.0
108.02168	0.9
113.02453	34.2
119.03500	48.3
120.03849	0.9
121.02940	3.1
122.03741	4.2
131.03502	6.0
143.03494	12.4
149.02448	11.4
149.04494	4.1
150.03227	33.2
151.00349	1.1
151.03947	2.8
161.04547	12.1
162.03203	2.4
164.04784	2.2
165.05569	36.1
166.02614	0.9
166.05951	0.9
177.05542	2.9
179.05612	30.7
179.07048	1.2
180.04260	3.5
180.05714	1.0
181.04988	0.8
191.05627	1.7
195.06628	23.8
196.06886	1.3
220.61890	0.8
231.31863	0.7
268.07446	2.0
280.07492	1.2
283.09775	2.0
296.06927	1.9
308.06717	2.3
309.07513	1.5
311.09070	1.7
322.08353	2.0
323.09177	5.2
324.06195	2.3
324.09937	2.0
337.10666	1.4
338.11664	2.0
339.08673	18.7
339.12491	1.4
340.09161	1.3
354.11041	8.8
355.11496	1.4
357.13718	0.9
369.13400	35.8
370.13663	4.2
374.32718	1.1
387.14508	2.0
453.08466	1.1
517.18768	10.0
518.19086	2.2
535.19855	4.5
536.19611	1.1
565.20972	1.8
583.21924	5.5
697.24933	2.3
745.27155	26.0
746.27423	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	903.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	5.7
72.66367	2.1
73.02946	3.8
96.96002	7.9
101.02431	4.3
122.03739	49.9
123.04070	2.4
138.01952	2.4
149.06038	8.1
151.03999	4.4
151.07610	2.2
161.09639	2.5
164.04735	2.5
171.96703	2.2
176.08456	14.4
177.08960	2.7
179.07155	3.2
179.10747	4.0
191.05598	6.8
191.10818	11.3
249.14867	2.4
259.79712	2.4
265.14474	17.2
266.15097	17.4
267.16010	100.0
268.16190	10.1
389.17807	2.6
411.20502	9.4
457.11777	2.3
471.22342	43.9
472.22552	5.8
480.16565	2.1
513.27142	13.4
514.27399	15.7
515.27673	10.7
629.76440	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	903.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	1.8
69.78681	1.1
70.02186	5.9
71.01381	47.8
71.05021	6.7
72.99312	1.7
73.02950	11.9
83.01405	4.2
85.02943	17.5
87.00906	1.6
89.02440	23.7
93.03430	1.2
95.01385	3.5
96.96024	1.9
97.02986	2.5
98.19932	1.5
99.00878	4.0
101.02441	25.2
104.29540	1.6
113.02455	20.0
119.03522	9.6
137.09711	3.0
139.07661	6.8
143.03531	4.7
149.04475	1.5
153.09233	4.0
155.10773	27.5
156.11073	1.9
159.02988	2.3
161.04565	13.8
164.04756	1.7
179.05592	7.3
179.07022	2.0
189.05479	1.1
191.05579	3.1
191.99467	1.2
203.05600	1.4
227.16513	51.8
228.16815	2.7
265.14389	5.1
296.59470	1.4
367.34265	1.3
371.20795	10.9
389.21832	32.1
390.22037	2.8
421.08261	1.8
427.19650	12.3
428.20200	1.6
431.22833	100.0
432.23083	10.6
433.20850	2.8
475.21762	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	901.48
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	1.1
70.83725	2.1
71.01004	2.2
71.01376	23.9
71.05004	3.4
72.99303	1.5
73.02934	3.5
80.96510	3.3
81.03457	1.3
83.01374	2.2
85.02934	3.7
87.00868	4.0
89.02438	11.5
90.31227	1.0
95.01364	1.4
97.02956	6.6
97.06573	1.7
99.00874	13.7
101.02444	12.7
109.06585	2.4
110.03745	1.2
113.02458	7.1
119.03442	2.2
121.06564	1.2
123.08193	1.4
125.02416	4.8
125.09692	5.9
127.11295	2.1
141.01935	1.0
143.03502	2.8
159.45903	1.2
161.04556	2.4
163.11308	8.3
171.10274	6.7
179.05626	2.4
179.10762	1.4
181.12321	15.7
197.11859	2.4
199.13374	16.7
200.13757	1.3
201.11241	1.6
207.10242	42.9
208.10609	3.3
221.06636	5.0
225.11310	67.1
226.11588	4.9
235.08188	1.8
243.12399	15.8
254.03810	1.3
270.11716	1.3
277.21707	36.7
278.22031	3.3
379.12451	2.3
397.13492	11.8
415.14490	4.5
431.18692	1.2
499.26660	1.3
605.25153	2.3
623.25916	7.4
883.47229	11.5
884.47406	3.3
901.47906	100.0
902.48273	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	2.4
71.01382	38.3
71.53397	1.1
72.99286	2.8
73.02940	5.1
73.96313	1.2
78.95914	1.8
79.95715	3.0
80.96526	7.6
81.03464	1.7
83.01380	3.5
85.02943	10.1
87.00879	9.8
89.02448	21.9
95.01378	2.5
95.05025	2.6
96.95976	1.5
97.02946	5.4
99.00880	2.3
101.02450	20.9
109.06567	3.4
111.04523	2.3
111.10047	1.0
113.02445	10.8
116.92874	2.8
119.03464	4.9
121.02940	1.2
125.02458	9.3
125.09673	1.4
127.11263	1.6
130.50481	1.1
133.05032	1.4
136.76581	1.3
143.03470	3.0
161.04550	5.1
163.11238	3.4
164.98610	2.2
171.10268	100.0
172.10547	4.8
179.05649	5.9
181.12363	2.1
185.12019	1.2
189.09201	1.5
189.79456	1.3
197.11794	2.4
199.13406	2.1
201.11320	5.6
207.10283	9.3
217.07193	1.5
221.06633	3.3
225.00772	3.2
225.11313	39.5
226.11580	2.3
235.08281	9.4
243.12303	9.1
253.09311	2.4
259.08029	1.5
277.21716	92.9
278.22076	10.4
287.07703	1.6
305.08694	1.7
323.09833	2.8
379.12442	17.3
380.12671	1.9
397.13492	63.4
398.13644	4.3
415.14655	11.1
551.23517	3.5
569.24127	2.7
605.24713	4.0
623.25714	2.7
657.34692	2.9
675.35510	4.5
883.46729	5.9
884.47620	2.8
901.46808	16.7
902.47559	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	901.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99568	1.0
71.01380	16.1
71.53379	1.0
71.53808	1.2
72.99310	1.8
73.02968	2.2
80.02676	1.0
81.03460	1.8
82.57831	0.9
83.01389	1.8
83.05022	5.8
84.02142	1.2
85.02949	2.8
87.00873	3.4
89.02439	12.1
95.01411	2.1
95.04985	1.4
96.96017	2.9
97.02945	2.3
97.06613	0.9
101.02443	12.3
111.08174	0.8
113.02455	7.4
116.92852	4.6
119.03528	2.8
125.02438	4.7
141.01849	1.0
143.03520	1.5
161.04581	3.1
163.11264	3.6
165.12875	2.6
171.10217	4.6
179.05626	3.9
183.13826	1.1
185.11871	1.0
191.10864	1.0
195.13913	3.4
209.11815	100.0
210.12157	6.2
211.13390	3.1
221.06558	1.4
223.13391	2.2
227.12854	11.1
231.20963	1.0
235.08125	4.6
235.16920	5.5
275.20157	12.3
276.20432	1.4
287.07632	1.5
293.21216	77.4
294.21497	7.0
305.08698	1.3
309.20776	2.3
323.09595	1.2
379.12488	3.9
397.13507	38.9
398.13654	2.8
415.14590	11.2
416.15070	1.2
419.96405	1.0
607.70502	0.9
673.34863	1.1
691.35107	1.3
901.46332	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	901.48
Annotation	Unknow
Peak:m/z	Relative Intensity
63.34381	0.8
64.98965	0.9
67.01875	0.7
69.03471	1.4
69.17516	2.1
69.17921	6.8
71.01379	17.4
71.05022	2.4
72.99294	1.8
73.02943	3.0
80.96503	2.5
81.03433	1.1
83.01395	1.7
85.02956	4.5
87.00876	3.1
89.02448	11.5
95.01369	1.7
95.05025	1.3
97.02938	5.7
97.06577	3.2
99.00880	12.8
101.02438	9.9
107.13610	0.8
108.02080	0.9
109.06556	1.1
113.02453	5.7
119.03474	1.9
123.08192	1.5
125.02425	2.9
125.09726	6.2
127.11327	0.8
142.02692	1.6
143.03462	1.4
161.04550	1.5
163.11284	6.9
171.10316	4.2
181.12329	11.9
198.47708	1.0
199.13393	10.5
201.11362	2.5
207.08357	1.8
207.10248	29.3
208.10596	2.0
209.89476	0.8
221.06645	1.6
225.11308	40.5
226.11633	1.2
235.08177	1.2
243.12370	9.9
277.21710	39.1
278.22131	2.8
379.12576	1.2
387.21936	1.3
397.13605	8.5
405.13995	0.9
415.14587	2.3
569.07977	0.9
605.24597	2.2
623.25879	2.5
883.46716	14.6
884.46985	4.2
901.47949	100.0
902.48315	28.8
914.32953	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96238	2.3
69.03452	1.4
69.81844	0.7
71.01379	8.9
72.99297	0.7
73.02943	2.0
74.59847	0.8
78.98598	7.7
79.95735	43.5
80.96516	100.0
85.02956	4.6
85.17637	0.9
87.00869	2.9
94.98080	19.0
94.98682	1.2
96.96019	1.8
97.02935	1.6
99.00887	0.9
101.02450	3.7
106.98117	4.6
117.53537	0.8
119.08051	0.6
120.29097	0.8
122.97555	4.3
125.02424	4.2
127.03993	1.7
134.97588	8.7
136.99135	2.3
148.99141	7.1
152.98643	7.4
164.98642	15.4
168.44252	0.7
171.10289	1.6
179.00310	0.9
206.99637	5.7
225.00739	25.6
226.00873	0.8
241.00169	0.8
272.28528	0.7
277.21533	0.9
283.04907	1.7
341.05579	2.2
342.84073	0.7
355.06894	0.8
425.14633	2.7
453.14471	2.3
469.13971	0.7
559.25641	3.3
618.27411	1.0
673.32037	1.0
701.36035	1.9
702.36511	1.0
731.36780	75.6
732.37305	11.6
759.39362	4.8
787.39648	8.1
788.39722	1.3
803.38855	5.7
901.46265	31.4
902.46875	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	900.495
Annotation	Unknow
Peak:m/z	Relative Intensity
67.38910	26.0
70.30711	28.5
78.91898	100.0
79.95735	26.2
80.91685	71.5
80.96531	75.2
96.96062	28.7
97.41141	27.6
98.37686	26.7
98.66218	27.3
105.55128	25.1
239.47469	27.0
301.21747	38.8
344.31296	32.3
447.08237	29.7
452.08292	28.9
806.39880	29.3
901.46387	57.7
906.37836	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	900.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98543	37.8
69.71651	97.3
69.72060	57.0
79.95716	55.3
80.96501	100.0
98.19926	34.2
112.98534	38.1
118.43482	27.4
122.90533	26.2
194.20497	34.9
217.63373	30.1
225.00729	36.8
235.53897	31.6
731.36670	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
67.91921	0.4
69.03456	11.5
70.03781	0.4
71.52823	0.5
79.01450	0.3
79.01887	7.9
79.02311	0.5
93.03437	0.4
94.77848	0.4
95.01400	2.2
96.84081	0.4
96.96007	0.4
97.02954	6.6
99.04517	4.6
107.01394	14.1
108.02175	25.8
123.00865	3.2
125.02446	9.8
135.00882	38.6
136.01202	1.4
137.02490	0.5
151.00378	1.7
152.01149	69.5
153.01495	2.5
164.21025	0.4
191.05643	1.2
203.10762	1.0
242.05730	2.7
243.06610	100.0
244.06946	6.9
247.09816	1.2
259.09439	0.5
265.35376	0.4
273.10678	0.4
285.07639	0.7
304.53937	0.5
321.70944	0.5
327.08701	0.7
387.10880	1.9
402.47638	0.5
447.13083	3.0
565.15594	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01866	1.2
69.77924	3.3
69.78335	2.4
71.01382	27.8
73.02940	11.7
79.00019	1.2
83.01382	5.0
83.73900	1.0
85.02951	13.5
87.00868	4.8
87.04509	3.1
89.02446	6.6
93.03450	12.6
95.01379	2.8
96.96028	3.5
97.02984	1.0
98.19913	1.3
99.00880	3.9
99.04517	37.6
100.04842	1.5
101.02442	20.9
111.00880	2.2
111.04504	2.0
113.02451	11.0
118.29367	0.9
119.03503	2.9
120.99635	3.2
121.06553	1.3
123.04527	2.6
125.02485	2.1
133.06648	1.2
134.03760	2.2
135.04469	1.2
143.03488	1.9
149.09686	1.9
159.03043	1.5
161.04536	5.9
161.09721	2.3
169.12344	1.9
173.04561	6.4
173.09641	1.0
185.09680	2.4
187.07574	1.1
190.17097	0.9
191.05641	4.8
193.08636	2.9
203.10739	3.5
205.08716	1.9
231.10243	1.3
247.09743	6.0
255.19588	1.6
265.10828	6.7
275.09232	1.8
277.10858	2.7
381.22849	1.3
393.12286	2.2
394.12601	1.7
395.13675	6.5
397.13535	1.2
399.23831	100.0
400.24228	13.1
417.24911	35.5
418.25250	4.6
439.52643	1.0
449.14529	14.5
450.14865	2.2
459.25992	23.3
460.26141	3.5
531.44348	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
65.80798	1.1
71.01372	7.0
71.52244	1.2
73.02943	7.1
79.95734	11.3
83.01373	2.4
85.02949	4.8
87.00883	2.1
93.03462	3.3
96.95982	1.8
99.00883	1.2
101.02442	7.3
101.59705	1.4
113.02444	3.2
135.04517	8.9
135.11775	2.3
161.04550	1.6
163.04002	80.6
164.04347	4.1
173.04416	1.7
178.06345	76.1
179.06676	4.0
191.05585	4.4
193.08687	100.0
194.09016	6.3
211.13382	93.0
212.13745	5.7
219.80647	1.1
225.14777	2.0
273.04379	40.8
274.04654	5.0
275.03976	4.3
327.03680	1.2
348.15829	1.2
373.18610	5.4
415.19696	5.4
450.15363	1.5
526.60187	1.4
532.72186	1.3
592.39996	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	5.2
69.60571	0.5
71.01375	13.7
71.05025	1.8
72.77290	0.5
72.99305	1.8
73.02941	2.0
80.96507	2.5
83.01389	2.2
85.02952	3.1
87.00871	3.2
89.02436	8.7
95.01384	1.3
97.02954	2.6
97.06566	1.4
98.19839	1.3
99.00879	1.4
100.72003	0.5
101.02444	10.0
109.06527	0.8
111.00838	0.6
111.04510	0.5
111.96797	0.6
113.02444	4.2
119.03471	1.6
123.08134	1.5
125.02435	1.9
125.09703	2.5
143.03477	1.2
151.11266	2.2
153.12761	1.1
161.04611	0.8
161.09766	3.5
169.12308	1.0
171.10275	0.6
179.05641	0.6
179.10794	5.4
197.11813	36.4
198.12193	2.0
205.08688	0.8
211.13394	3.8
213.14954	1.0
221.06552	2.1
223.09773	1.3
225.00746	1.2
235.08220	1.8
241.10780	1.7
241.14413	2.1
247.53355	0.6
253.09230	1.3
277.21710	41.7
278.22110	4.1
302.76041	0.6
310.21246	0.7
378.38577	0.6
397.13553	2.4
621.23804	0.9
737.44257	0.9
899.46387	100.0
900.46692	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	897.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
63.44856	10.4
66.08687	10.5
71.01381	25.6
71.52856	11.6
71.53231	13.3
84.23891	10.4
84.33665	11.8
95.01324	15.2
96.96030	16.9
101.02437	17.4
116.92887	19.6
129.16389	11.7
161.04633	15.0
161.73442	11.8
178.58974	11.7
191.05608	45.4
193.01472	17.7
193.16228	13.0
214.18793	12.3
270.01736	13.1
298.01178	49.5
313.03537	72.6
328.05798	29.2
343.08188	98.2
393.83981	12.6
467.30112	15.5
509.31372	100.0
510.31732	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	897.412
Annotation	Unknow
Peak:m/z	Relative Intensity
67.15459	1.9
69.18575	13.3
69.18987	4.1
71.01377	52.1
73.02943	12.8
83.01382	7.7
85.02951	24.7
87.00882	4.3
87.04510	6.2
89.02440	19.8
93.03436	7.2
95.01382	4.8
99.00878	7.4
99.04513	27.9
101.02435	30.8
101.06083	7.6
113.02453	28.5
119.03461	6.7
121.63571	1.9
123.91282	1.9
125.02407	3.5
143.03468	2.3
157.06673	2.0
159.08087	6.6
161.04518	12.4
171.08122	3.6
179.05620	2.9
183.08070	2.4
185.06088	2.3
191.05556	12.0
195.08171	2.8
196.94208	1.9
201.09186	6.1
203.07150	2.6
213.09164	6.1
215.07121	3.2
231.10327	11.3
245.08232	10.7
249.11195	2.6
255.19621	4.3
257.08228	7.6
275.09238	11.7
297.20709	2.2
399.23816	100.0
400.24234	13.4
417.24930	74.5
418.25107	8.7
459.19595	3.8
459.25961	60.6
460.26285	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	895.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
62.70794	8.1
68.27539	8.9
69.23592	96.1
71.01381	92.3
73.02934	22.8
83.01384	22.3
85.02936	37.1
87.18367	11.5
89.02428	34.3
93.03429	15.5
99.04514	100.0
101.02425	63.1
110.36687	9.8
113.02435	39.1
119.03515	12.9
139.61458	11.3
161.04570	15.3
191.05603	33.1
203.10727	18.0
239.19902	10.2
247.09801	22.9
313.38873	11.6
381.22806	39.3
399.23816	77.3
441.24866	88.2
442.25290	17.3
524.07220	12.4
529.52515	12.0
681.79510	11.3
817.79028	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	895.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
65.76649	3.0
69.28675	15.1
69.29107	13.7
71.01382	56.2
73.02954	20.5
79.63584	3.2
83.01379	4.9
85.02949	34.0
89.02445	17.7
95.01372	8.6
95.30551	2.8
98.20757	5.7
99.00868	11.1
99.04515	100.0
101.02440	27.8
113.02458	29.2
119.03489	6.2
143.03423	3.4
161.04572	21.1
179.05522	5.3
191.05611	4.8
203.10797	15.9
247.09741	24.0
259.09354	3.4
277.10703	4.9
381.22769	10.6
382.42734	3.1
399.23740	39.8
417.90054	3.3
419.77493	3.9
441.24875	45.8
442.25061	6.5
748.20630	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	892.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98521	21.7
68.31985	11.8
70.64188	39.3
71.01389	19.1
85.02952	13.3
89.02390	20.2
101.02413	19.6
120.35146	14.0
143.03398	12.9
171.10214	100.0
172.10573	48.9
173.10770	22.6
184.62093	14.4
185.95001	12.7
247.39761	13.6
251.27319	14.8
277.21664	52.8
278.21973	54.8
279.22269	21.9
292.08304	13.9
295.26941	13.0
381.13107	13.1
397.13458	18.5
398.14001	19.9
399.14221	38.1
614.06134	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	893.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
68.40816	2.2
71.01382	51.2
71.05010	3.7
71.41682	2.1
71.52205	3.9
73.02943	17.4
79.95737	11.8
82.88513	2.3
83.01369	6.8
83.01855	2.1
85.02954	22.7
86.12508	2.1
87.00881	4.3
87.10116	2.4
89.01963	2.9
89.02436	15.7
92.30861	2.1
93.03461	5.4
95.01373	3.4
96.96014	96.7
97.02976	2.3
99.00846	3.6
101.02438	35.9
113.02464	19.2
137.09720	3.8
139.07652	7.4
143.03539	2.5
155.10774	22.7
159.03015	3.1
161.04582	18.3
166.02747	3.2
167.03464	4.0
180.04214	2.1
191.03654	4.2
191.05606	23.0
192.03943	2.4
203.05569	3.8
205.08562	2.1
209.15395	2.7
227.16544	43.6
228.16695	3.3
269.13745	3.5
309.07874	2.6
327.12323	7.6
331.17603	19.4
339.12332	8.4
371.20718	13.4
373.18634	31.0
389.21835	31.7
390.22028	3.3
390.67825	2.6
429.21426	4.0
430.21594	3.9
431.22821	100.0
432.23282	10.9
441.08615	63.1
442.08710	7.2
449.14600	5.1
449.20206	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	889.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	1.5
69.03467	0.9
71.01379	17.0
72.99306	1.3
73.02954	3.0
81.03462	1.3
83.01396	2.7
83.05061	1.0
84.10548	0.7
85.02946	3.7
87.00864	4.6
89.02442	14.4
91.28618	0.7
95.01393	1.4
97.02943	3.7
97.48899	0.7
101.02438	11.5
108.65607	0.7
113.02430	7.0
119.03480	4.2
125.02448	7.1
125.09710	1.1
127.11287	1.2
143.03488	3.4
161.04544	3.5
167.03383	0.7
171.10262	100.0
172.10603	3.2
179.05591	3.6
190.07936	0.8
196.96884	0.8
199.06122	0.8
217.07053	1.3
221.06696	2.2
235.08174	7.6
253.09337	0.9
259.08066	1.1
277.21716	71.9
278.03891	0.8
278.22083	6.6
287.07806	2.3
305.08694	2.7
323.09836	1.0
364.22183	0.8
379.12396	18.7
380.12762	1.6
397.13477	47.0
398.13803	3.1
415.14529	9.5
416.14905	1.0
418.75256	0.7
551.23468	3.8
552.22882	0.9
569.24591	2.3
657.34564	1.7
675.35999	2.9
889.48486	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	25.4
71.05028	2.2
71.52477	1.4
72.99304	1.0
73.02955	12.2
83.01396	3.6
85.02951	6.8
87.00877	1.8
89.02443	8.2
93.16937	1.2
95.01400	2.3
95.05005	1.4
96.96046	1.5
97.02966	2.3
98.14512	1.0
99.00881	2.0
101.02438	15.1
113.02455	11.3
116.24977	0.9
119.03520	3.0
125.02457	1.7
131.03532	0.9
138.06860	17.1
143.03441	1.9
149.04588	1.8
153.09209	53.0
154.09560	2.9
159.03030	1.0
161.04527	10.0
191.05618	2.3
203.05516	1.1
207.13887	5.2
211.65935	0.9
221.06805	1.4
225.14948	94.9
226.15274	5.7
314.38721	1.1
331.17670	2.3
335.36792	1.0
341.79782	1.2
369.19159	29.3
370.19385	3.0
373.18616	7.0
387.20218	19.5
388.20496	1.6
429.21262	100.0
430.21625	12.4
473.21075	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98531	46.4
70.17549	35.5
71.00189	58.8
73.21352	30.7
80.42207	34.5
82.56777	33.1
152.99565	62.7
163.73383	40.2
171.10236	79.0
172.10562	41.0
277.21603	100.0
278.22232	51.4
473.32037	43.5
532.29016	38.1
565.75555	35.7
595.75385	40.9
610.97302	40.2
689.36731	40.3
695.48547	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	6.7
63.20480	1.3
69.84148	1.1
71.01377	16.2
71.52560	1.4
72.99290	1.2
73.02944	1.9
77.95782	1.0
82.37875	1.2
83.01379	2.3
84.95113	1.4
85.02926	6.4
87.00871	2.4
89.02438	13.0
97.02943	1.8
101.02441	12.5
113.02451	5.6
119.03458	2.7
125.02425	3.7
127.11250	2.1
131.03456	1.4
134.45306	1.1
134.89499	1.5
149.04549	1.2
151.11272	1.5
169.12332	21.4
170.12773	1.3
171.10262	65.3
172.10570	1.7
179.05540	2.1
191.05521	1.5
209.11812	1.4
213.11278	3.6
221.06662	2.9
229.14525	2.7
231.12335	3.1
235.08173	1.6
277.21716	27.5
278.21988	3.5
326.73212	1.2
391.37299	1.2
397.13388	8.1
415.14740	1.6
641.82465	1.4
834.95679	1.3
871.46869	3.4
889.47919	100.0
890.48407	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	889.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	1.2
68.99801	0.9
69.03449	1.3
69.60455	0.6
69.97972	2.0
71.01381	15.4
73.02958	2.9
75.00866	0.7
78.65038	0.6
83.01387	1.8
85.02953	4.5
87.00867	4.0
89.02440	14.7
95.01370	0.9
96.52055	0.5
97.02932	2.2
99.00890	1.3
101.02435	10.8
113.02454	6.9
116.92855	0.9
119.03510	2.5
125.02441	7.0
125.09714	0.6
127.11267	2.2
131.03481	0.7
143.03528	3.5
145.23729	0.5
153.09216	0.8
161.04576	3.9
167.03540	0.7
171.10260	100.0
172.10614	3.8
179.05641	2.9
185.11882	0.9
186.07858	0.6
199.06252	0.7
217.07185	0.8
221.06715	1.3
235.08247	6.1
253.09171	0.8
259.08374	0.6
277.21707	57.1
278.22018	4.7
287.07697	2.0
305.08826	2.3
323.09723	1.6
351.09677	0.6
361.11148	0.7
379.12411	13.7
379.16861	1.0
380.12769	1.1
387.62683	0.7
397.13474	39.5
398.13519	2.7
415.14603	7.4
551.23627	4.6
569.24286	2.8
657.35681	0.8
675.36011	1.2
679.75751	0.7
779.28491	0.7
880.42920	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	4.0
68.66119	3.1
69.84840	3.3
71.01380	100.0
72.99285	6.4
73.02952	32.5
82.85364	3.2
83.01386	22.0
85.02957	46.8
87.00898	6.2
89.02460	28.6
93.03455	6.0
94.86260	2.9
95.01402	7.2
96.96018	13.7
98.19874	8.0
99.00895	12.9
101.02448	79.0
106.88524	3.4
113.02448	46.1
119.03522	6.6
120.68745	3.1
120.99641	3.6
125.02446	5.0
143.03535	6.8
149.04510	5.3
151.84218	3.5
159.02968	6.3
161.04556	38.0
179.05676	5.3
182.33566	4.1
191.05598	15.9
274.70779	3.6
315.18130	56.5
316.18668	4.5
357.19104	29.8
358.19571	6.4
381.22870	16.9
382.49414	3.7
399.23929	34.0
424.33728	4.0
441.24896	49.3
442.25031	3.9
444.18323	3.3
541.91913	3.4
616.47711	3.6
686.76758	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	887.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	7.8
66.16901	0.6
69.03448	2.1
70.00121	2.5
71.01013	1.1
71.01377	17.6
72.01719	0.6
72.99297	2.1
73.02937	3.1
75.00856	2.5
77.76028	0.6
80.96503	2.1
81.03461	2.0
83.01371	2.6
83.05008	2.8
84.02153	0.7
85.02938	5.1
87.00861	4.2
89.02443	12.5
95.01377	1.7
97.02956	2.8
97.06584	2.1
98.20564	0.9
99.00904	1.3
101.01815	0.9
101.02441	11.7
102.02761	1.0
113.02444	5.6
114.02770	0.7
116.92855	2.2
119.03473	2.7
123.08118	1.4
125.02432	3.7
125.09699	3.2
128.90178	1.0
137.09634	0.7
139.11290	2.1
141.12833	1.1
141.54161	0.8
143.03481	0.8
145.01372	1.3
147.04526	1.0
149.04509	0.7
161.04527	1.8
164.11522	0.8
164.98642	0.8
167.10735	2.7
171.10223	1.6
179.05574	2.3
185.11818	37.5
186.12138	2.1
201.11200	1.3
209.11813	26.1
210.12160	12.1
211.09813	0.7
211.12392	3.7
221.06639	1.4
224.78387	0.5
227.12863	4.2
228.13245	1.8
229.13931	0.7
235.08197	2.5
277.21704	40.2
278.22031	10.6
279.22409	2.2
305.08688	0.7
312.15186	0.6
327.70081	0.7
341.80829	0.6
379.12299	1.5
380.12924	0.8
381.12991	0.9
397.13489	11.8
398.13910	5.0
399.14215	2.8
415.14352	2.4
416.14639	0.9
417.14987	1.4
422.05856	0.7
887.46423	100.0
888.46820	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	887.4641
Annotation	Nostophycin
Peak:m/z	Relative Intensity
61.98832	4.2
69.03422	0.9
69.62129	1.7
69.62533	2.8
71.01381	15.5
72.99310	1.4
73.02934	3.2
75.00869	3.6
79.95730	0.9
80.96503	1.5
81.03413	1.0
85.02952	3.6
87.00867	3.0
89.02436	10.1
95.01292	0.9
97.02933	2.1
97.06567	1.2
98.19910	1.4
99.00908	0.9
101.02429	9.8
113.02444	5.7
119.03497	2.8
123.08141	0.7
125.02402	2.6
125.09702	3.1
139.11232	1.6
141.12816	2.0
145.01439	1.0
161.04483	2.1
167.10751	3.1
171.10233	2.6
179.05602	1.1
185.11818	61.4
186.12143	2.7
201.11264	2.2
209.11804	1.2
211.02708	0.8
218.31888	0.8
221.06635	2.6
227.12805	4.5
228.13106	1.5
229.10832	1.8
235.08253	1.3
253.09100	1.0
277.21716	23.9
277.24814	1.2
278.21991	3.3
321.16107	0.8
353.11505	0.8
379.12790	0.9
397.13455	7.3
398.13916	2.0
415.14270	2.4
505.24896	0.8
627.25439	1.4
807.49121	1.0
887.46442	100.0
888.46661	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	889.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	1.8
71.01382	76.9
71.52033	2.2
72.99288	3.4
73.02945	100.0
74.03294	2.2
75.00878	3.4
79.95732	12.5
80.96541	3.4
83.01379	29.2
85.02959	9.0
87.00882	3.6
89.02449	19.6
93.03454	3.2
95.01358	2.9
95.95249	3.3
96.96005	19.5
101.02441	97.6
113.02444	34.3
114.02736	1.9
119.03477	9.9
122.65775	2.1
125.02455	4.9
131.03490	10.5
136.01654	10.7
137.02434	3.9
139.99751	1.9
143.03493	11.2
149.04556	20.1
151.04004	16.2
155.03500	4.6
158.72037	1.8
161.04546	35.8
162.04839	1.8
171.60225	1.7
179.05669	2.9
191.05571	4.3
203.05551	4.4
221.06624	8.0
277.10831	2.4
357.13489	21.5
439.10538	15.6
440.10855	5.4
441.10666	3.4
457.11728	2.3
891.02576	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	889.48
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	6.4
63.95515	1.1
67.43633	1.1
69.53679	5.5
69.54095	2.0
71.01054	1.4
71.01384	14.1
73.02943	3.7
74.49242	1.1
75.81046	1.1
83.01369	1.2
85.02939	4.7
87.00859	4.1
89.02448	11.6
97.02922	1.8
97.06586	1.0
101.02448	10.2
113.02440	6.1
116.92840	3.9
119.03481	2.7
119.32365	1.0
125.02380	1.3
127.11374	1.3
128.25104	1.0
132.05650	1.1
151.11223	3.3
161.04520	1.5
169.12338	19.1
170.12617	1.3
171.08801	2.6
171.10266	44.5
172.10680	1.9
179.05656	1.9
191.05620	2.0
213.11281	2.0
221.06387	1.3
229.14565	1.3
235.08163	1.5
277.21713	38.5
278.21997	4.7
303.40787	1.1
379.12537	3.0
397.13342	6.9
501.20465	1.2
563.60400	1.2
598.15936	1.3
871.47498	3.7
889.47949	100.0
890.48120	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	886.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.01388	0.3
73.83392	0.1
77.71848	0.1
78.98605	0.2
79.95726	0.7
80.96513	2.1
94.98095	0.5
123.72196	0.1
134.97595	0.3
147.12825	0.1
148.99197	0.2
152.98590	0.2
164.98674	0.4
167.83275	0.1
225.00755	0.6
229.14589	0.1
239.33385	0.1
265.44061	0.1
277.21918	0.4
783.92670	0.1
886.47668	0.5
887.48157	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	887.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	100.0
71.52800	4.9
73.02950	29.3
83.01406	10.7
85.02957	44.7
89.02449	28.4
91.00158	4.6
96.96028	8.4
99.00876	11.8
101.02448	49.3
113.02447	42.1
119.03540	8.2
143.03531	4.7
152.01099	6.3
161.04558	34.0
191.05602	8.3
315.18042	27.5
357.19193	6.6
381.22794	7.6
399.23911	33.6
441.24902	38.0
456.71951	5.4
570.32904	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	887.428
Annotation	Unknow
Peak:m/z	Relative Intensity
64.84882	4.7
71.01384	82.2
71.52302	7.7
73.02940	67.5
83.01395	21.1
85.02950	37.8
89.02434	22.4
93.03470	17.1
94.09357	4.5
95.01421	6.0
96.96033	10.2
97.02940	5.8
99.00861	7.4
101.02447	100.0
102.31959	4.9
111.04543	6.0
113.02466	46.6
115.88790	5.2
119.03561	11.4
125.02479	6.3
133.02899	6.1
134.03801	7.7
135.04509	40.8
143.03482	8.9
149.04485	6.9
151.03906	5.3
161.04559	52.1
173.04649	5.3
179.03474	5.9
191.05592	17.7
221.06683	10.2
257.50687	5.8
308.08856	7.8
315.18097	53.8
352.07962	21.5
357.19150	60.0
376.24643	4.9
399.23944	33.8
405.74484	4.7
441.25009	64.7
442.25101	11.0
449.14764	23.6
743.35974	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	885.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	0.8
66.88097	0.2
69.03448	1.0
69.43719	1.3
69.44132	0.8
71.01379	13.8
72.99316	1.1
73.02950	2.6
76.93900	0.3
80.02682	1.2
80.96519	0.8
81.03446	2.1
83.01394	1.8
83.05023	5.7
84.02165	0.9
85.02949	3.5
86.00076	0.3
87.00876	3.6
89.02443	13.2
95.01372	1.4
95.05035	0.7
97.02943	2.6
98.19874	0.3
99.00871	0.8
99.04527	0.4
101.02437	10.6
102.20289	0.3
109.06608	0.3
111.04515	0.3
113.01726	0.5
113.02455	6.4
118.40213	0.3
119.03495	3.4
121.03012	0.3
125.02440	5.4
125.06069	0.6
125.09715	0.3
127.04001	0.3
131.03476	0.5
135.08167	0.7
139.04005	0.7
141.01920	0.4
143.03511	2.4
147.11737	0.4
149.04532	0.4
161.04543	3.2
163.11279	4.2
165.12811	2.8
167.03490	0.4
171.10228	0.3
179.05621	3.3
181.12389	0.3
188.95560	0.2
191.10786	1.4
196.53886	0.3
199.06090	0.4
199.13400	0.4
209.11812	100.0
210.12170	6.2
217.07304	0.5
221.06554	1.5
227.12862	10.4
228.13170	0.4
233.22661	0.3
235.08223	4.8
245.06648	0.4
251.12766	0.5
253.09203	0.9
259.08145	0.4
263.07635	0.6
277.21698	44.3
278.22034	3.8
287.07767	1.4
305.08765	1.6
323.09793	1.1
379.12466	5.4
397.13486	30.1
398.13812	2.8
415.14532	8.2
416.14911	0.5
481.66437	0.3
510.36340	0.3
589.24908	0.6
607.26355	1.2
675.36078	0.4
885.47321	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	1.7
69.03442	0.9
71.01379	13.8
72.01743	0.4
72.99310	0.9
73.02953	1.9
75.00893	0.3
79.95749	0.6
80.02675	1.5
80.96539	0.9
81.03462	1.9
83.01387	1.8
83.05025	4.9
84.02158	0.6
85.02946	3.9
87.00867	3.4
87.04542	0.3
89.02444	12.0
90.02775	0.4
91.04012	0.3
92.13931	0.3
92.72206	0.3
95.01377	1.0
95.05024	1.1
97.02942	2.7
97.06612	0.3
99.00893	1.0
99.04539	0.5
99.31522	0.3
101.02437	11.3
109.06570	0.7
111.04497	0.4
113.02444	6.8
114.02735	0.3
115.04007	0.6
119.03484	3.1
125.02443	5.7
125.06064	0.6
126.90367	0.6
127.03979	0.3
131.03490	0.9
135.08125	0.8
139.03958	0.4
143.03502	2.2
145.01433	0.8
149.04677	0.3
161.04572	2.8
163.11282	4.2
165.12885	2.1
167.03482	0.6
179.05611	4.5
181.12328	1.0
191.10727	0.9
199.06154	0.5
199.13379	0.7
207.10252	0.9
209.11812	100.0
210.12149	6.3
217.07124	0.5
221.06700	1.4
225.11397	0.5
227.12881	15.9
228.13181	0.9
235.08217	4.5
236.08556	0.3
251.12860	0.7
253.09224	1.1
259.08337	0.4
263.07645	0.6
277.21707	42.6
278.22025	4.3
287.07819	1.6
288.53937	0.3
295.10983	0.3
302.10327	0.3
305.08716	2.0
323.09756	1.2
379.12473	5.4
380.12790	0.4
397.13477	31.4
398.13718	2.7
415.14539	8.0
416.14987	0.8
459.34525	0.3
589.23798	0.4
607.25806	1.5
625.27045	0.4
767.86340	0.3
885.47650	2.2
886.47473	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	2.6
68.40028	0.3
69.03454	0.9
71.01379	16.5
72.01756	0.3
72.99310	1.5
73.02943	2.6
73.52864	0.2
75.00864	0.4
79.95724	0.8
80.02657	0.7
80.22949	0.3
80.96515	2.7
81.03459	1.9
83.01385	2.2
83.05019	5.2
84.02161	0.8
85.02943	3.5
87.00879	3.9
89.02443	14.2
91.94884	0.3
93.03471	0.4
94.98111	0.4
95.01389	1.5
95.05019	0.7
97.02944	3.1
98.19932	0.6
99.00881	1.1
101.02444	11.3
107.05017	0.4
109.02953	0.3
111.00895	0.5
111.04522	0.6
113.02453	7.8
119.03493	4.0
123.04552	0.3
125.02451	6.5
125.06070	0.5
125.09650	0.4
127.07611	0.3
130.02556	0.3
131.03471	0.7
133.05098	0.3
135.08168	0.5
137.76915	0.3
139.04044	0.6
143.03493	2.8
145.01465	0.4
149.04567	0.3
161.04538	3.1
163.11275	3.7
164.98550	0.3
165.12823	2.2
179.05623	3.6
181.12386	0.7
191.10764	0.9
199.06149	0.3
199.13460	0.5
209.11816	100.0
210.12160	6.0
217.07076	0.5
221.06676	1.5
225.00752	0.4
227.12881	12.9
228.13196	0.9
235.08199	6.0
245.06577	0.5
251.12881	0.4
253.09242	0.8
259.67883	0.3
263.07669	0.3
269.06509	0.3
277.21707	53.3
278.22040	4.8
287.07547	1.6
291.23102	0.3
305.08804	1.7
323.09695	1.1
379.12439	5.8
380.12866	0.5
397.13480	39.5
398.13828	3.7
415.14554	9.1
415.19250	0.2
416.14880	0.8
417.44809	0.3
444.87878	0.3
607.26056	0.6
675.36438	0.7
739.79517	0.3
768.77045	0.3
854.31207	0.3
885.47168	2.5
886.46661	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
66.04407	0.2
67.31998	0.2
70.53876	0.3
70.54217	0.3
71.01382	1.0
72.58727	0.2
73.02944	0.3
78.95918	0.3
79.95753	0.7
80.56444	0.2
80.96516	3.1
87.00928	0.3
89.02411	0.4
94.98102	0.5
98.70705	0.2
101.02456	0.5
110.82861	0.2
113.02425	0.2
116.95424	0.2
125.02470	0.4
135.08238	0.2
144.23389	0.2
152.98576	0.3
164.98636	0.4
165.12881	0.2
183.13893	0.4
191.05676	0.2
207.10318	0.2
209.11790	2.0
216.71541	0.2
217.07121	0.2
225.00775	0.7
225.11349	0.3
227.12976	0.3
277.21735	1.8
278.21964	0.2
351.68173	0.2
352.88614	0.2
397.13400	0.8
617.16449	0.2
840.46112	0.2
884.46027	1.1
885.47290	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	5.3
63.20244	2.9
71.01382	100.0
72.99309	3.6
73.02955	34.5
75.88718	3.0
82.59829	3.2
83.00970	3.1
83.01363	16.1
85.02947	43.7
87.00882	4.9
89.02448	26.9
93.03424	3.7
95.01402	4.3
96.96017	4.4
97.02917	4.2
99.00881	12.3
101.02438	68.1
113.02451	36.8
119.03503	13.8
120.99706	5.0
143.03496	8.7
159.02957	6.8
161.04561	33.2
191.05637	18.6
203.10808	9.7
217.48050	3.6
313.16537	29.0
355.17645	18.6
381.22675	8.0
399.23804	55.8
400.24426	4.7
403.57620	3.1
429.86581	5.2
439.23492	4.9
441.24860	74.5
442.25235	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	883.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	29.1
67.27267	0.5
69.03452	3.0
71.01379	19.8
71.05012	3.8
72.99309	2.0
73.02942	4.0
75.00871	1.2
78.95918	0.8
79.95734	0.7
80.96509	1.8
81.03455	2.1
83.01399	2.9
83.05020	2.0
85.02938	5.4
87.00874	7.7
88.32812	0.6
89.02439	11.8
93.03455	1.1
95.01367	1.8
95.05019	1.6
97.02946	16.3
97.06581	3.6
98.20705	1.0
99.00874	26.5
101.02436	12.2
109.02996	0.7
109.06590	5.3
110.03725	1.7
111.00871	1.0
111.04507	1.3
113.02442	7.2
119.03504	2.5
121.02942	0.7
123.04536	0.7
123.08146	2.3
125.02443	9.8
125.09717	9.1
131.03506	0.8
135.08156	2.1
136.05286	1.7
142.02740	3.2
142.99858	0.7
143.03456	1.9
146.60577	0.6
161.04538	2.5
161.09737	1.2
163.11273	13.6
164.11584	0.8
171.08276	0.6
179.05594	2.0
179.10765	1.2
181.12318	21.1
182.12706	0.6
189.09111	1.1
197.11880	0.8
199.13316	2.2
207.10245	68.0
208.10583	3.6
209.11838	1.7
223.13354	1.0
225.11299	100.0
226.11641	6.6
235.08200	4.5
239.12656	0.8
243.12347	35.3
244.12643	1.4
253.09326	1.2
259.08093	0.6
263.07681	2.4
267.12173	0.7
277.21695	71.1
278.22037	6.3
281.13846	0.8
287.07568	0.8
299.14825	0.7
305.08826	1.3
317.16010	1.2
323.09772	0.8
327.21768	0.7
361.23978	4.3
362.24182	2.3
371.51257	0.6
379.12424	3.2
394.23285	0.6
397.13504	16.6
398.13565	1.3
402.20355	0.6
415.14706	3.3
445.23666	0.7
461.20065	0.7
506.32440	1.7
577.36804	0.7
605.24481	21.4
606.24786	2.9
623.25439	12.7
624.26135	1.6
778.74390	0.7
823.58752	0.7
883.46863	89.1
884.47028	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	883.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23302	1.9
78.08710	0.2
79.95733	26.2
80.00573	0.2
80.96532	0.3
107.04977	0.2
135.04518	3.5
136.10796	0.2
142.14578	0.2
149.06020	0.3
163.04002	44.1
164.04341	1.9
177.05579	0.4
178.06343	48.8
179.06708	2.1
193.08685	43.4
194.09006	2.4
196.74048	0.2
227.79118	0.2
231.48201	0.2
258.01935	1.2
273.04367	100.0
274.04654	5.6
572.65424	0.2
595.67157	0.2
742.32312	0.2
887.22595	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	30.6
69.03461	1.8
71.01383	19.6
71.05035	1.6
72.99322	1.6
73.02950	3.5
73.23016	0.6
75.00867	1.7
78.95887	0.8
80.96519	1.5
81.03460	1.2
83.01386	2.2
83.05044	1.3
83.05579	0.5
85.02952	5.8
87.00882	6.9
87.51623	0.6
89.02441	8.7
95.01383	2.0
95.05038	0.8
97.02950	12.3
97.06583	2.4
99.00877	24.1
101.02443	10.4
109.06600	4.7
110.03703	1.3
111.00879	0.8
111.04559	1.1
113.02447	6.2
119.03492	2.4
123.00641	0.6
123.04542	1.1
123.08148	1.4
124.01667	1.0
125.02448	11.0
125.09722	8.1
131.03566	0.8
135.08170	2.1
136.05278	2.1
139.04028	1.0
141.01923	0.6
142.02769	3.5
143.03491	2.5
145.10237	0.9
161.04552	2.6
161.09700	1.2
163.11285	14.0
171.10233	1.6
179.05569	2.0
179.10762	1.2
181.12347	21.9
182.12723	1.4
197.11731	0.7
199.13397	4.8
207.10254	72.4
208.10608	3.7
209.11908	0.9
211.13344	1.0
221.06662	1.7
223.13408	1.6
225.11313	100.0
226.11670	7.3
229.44807	0.8
235.08220	4.7
237.27269	0.6
243.12367	39.1
244.12805	1.8
253.09320	1.8
263.07639	2.7
267.12299	1.5
277.21719	64.2
278.22006	6.0
287.07700	1.4
299.15088	1.3
305.08954	1.0
317.16019	3.9
327.21567	3.4
370.10782	0.6
379.12494	2.7
397.13519	13.5
415.14493	2.8
443.19025	0.8
461.20163	1.7
605.24512	27.3
606.25092	4.7
622.89001	0.8
623.25555	27.2
624.25970	2.6
883.46893	81.8
884.47345	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	883.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64528	0.7
73.02898	0.2
74.56179	0.3
79.95727	2.4
80.55592	0.3
81.39772	0.2
131.04552	0.3
135.03650	0.2
135.04520	11.0
163.04001	73.2
164.04327	3.5
169.74518	0.2
177.05502	0.4
178.06339	62.4
179.06718	2.9
193.08684	100.0
194.09024	5.8
217.79665	0.3
273.04367	10.2
274.04617	0.3
297.64676	0.3
350.49768	0.3
469.64108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
63.10864	1.5
66.90906	1.4
69.03457	4.4
70.53500	4.8
71.01380	70.1
73.02946	91.0
76.83601	1.5
81.03449	4.6
83.01381	26.9
85.02944	10.3
87.00886	7.5
88.04054	4.3
89.02455	15.9
90.12579	1.8
90.98573	3.6
93.02188	1.8
93.03457	6.6
95.01377	3.4
96.95985	4.3
97.02990	2.2
99.00874	3.1
99.04538	6.5
101.02444	76.8
102.98633	1.6
109.74532	1.8
113.02447	29.0
119.03491	11.4
121.06591	2.3
123.08161	5.0
124.05270	3.5
125.02441	3.8
131.03516	7.6
135.08228	2.0
138.06866	8.3
139.07654	10.8
143.03499	7.3
149.04527	14.0
151.07655	3.2
155.03574	2.2
158.35295	1.9
161.04568	26.3
168.66211	1.6
188.12155	2.3
189.12885	4.7
191.05592	4.2
192.11531	8.0
203.14388	18.5
221.06728	11.1
221.15439	12.7
223.39418	1.6
257.11411	1.7
265.14426	42.4
266.14795	3.6
277.10782	14.7
334.41608	1.7
366.59283	1.9
369.10086	3.2
409.18607	32.0
410.19336	2.3
427.19727	28.0
428.19925	2.3
439.10928	4.3
467.15375	1.9
469.20734	100.0
470.21036	13.5
772.55859	2.1
841.92700	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	881.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
64.50864	2.6
69.33074	20.1
69.33456	5.8
71.01379	38.8
73.02957	16.0
83.01386	6.3
85.02944	16.4
87.00867	6.7
87.04501	3.7
89.02450	17.4
90.55343	2.2
93.03434	18.5
99.00856	3.8
99.04522	29.2
100.04865	2.4
101.02438	26.4
101.06064	10.7
108.65911	2.7
113.02442	22.3
114.45837	2.3
119.03497	4.8
120.99590	2.8
121.02926	11.2
143.03471	3.3
161.04535	8.7
173.04527	4.5
191.05569	6.8
203.10764	3.9
234.80400	2.4
247.09782	5.8
255.19910	2.8
277.10760	4.1
399.23877	100.0
400.24301	12.4
417.24911	75.4
418.25168	8.0
449.14801	12.2
459.26007	55.8
460.26315	5.5
467.15393	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	882.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95580	0.1
61.98828	100.0
62.98541	0.2
71.01383	0.1
78.95929	0.2
79.95738	0.3
80.96507	1.3
87.00867	0.1
94.98106	0.3
96.96053	0.1
144.96107	0.1
152.98645	0.2
164.98590	0.2
218.76779	0.1
221.06639	0.1
225.00847	0.2
225.14883	0.1
272.40585	0.1
301.21695	0.7
302.22083	0.3
615.23303	0.1
882.49811	0.7
883.45520	0.9
900.22559	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	882.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.88640	0.2
71.01408	0.2
74.05141	0.2
75.85003	0.2
79.95743	0.2
80.96513	0.7
83.23803	0.2
85.02944	0.2
94.98122	0.3
98.20689	0.3
105.84122	0.2
110.62102	0.1
110.91941	0.2
121.67046	0.1
126.90464	0.2
207.10268	0.2
229.14468	0.2
234.27667	0.2
235.08211	0.3
236.21201	0.2
253.09354	0.2
277.21811	1.4
291.19983	0.2
306.36014	0.2
309.20758	0.3
327.21884	1.0
382.98517	0.2
472.23969	0.2
882.48230	0.4
883.45190	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
61.26492	0.6
61.98817	3.1
68.06948	0.6
69.03450	1.1
70.07500	2.9
71.01383	16.6
71.05012	2.3
72.99316	1.3
73.02936	2.9
75.00883	0.6
81.03459	1.3
83.01373	2.5
83.05015	0.7
85.02962	3.9
87.00854	2.7
89.02444	12.0
95.01353	0.9
95.05012	0.8
97.02951	6.6
97.06586	2.9
99.00874	11.5
101.02437	11.3
109.06576	1.1
113.02459	5.7
119.03487	2.7
123.08164	1.3
125.02414	2.9
125.09744	4.0
135.08127	0.8
143.03496	1.2
145.10255	0.8
152.99643	0.7
161.04544	2.0
163.11290	6.9
171.10228	3.5
178.84879	0.6
179.05568	1.5
179.10797	0.8
181.12346	11.6
197.11801	1.0
199.13393	8.8
200.13782	0.7
201.11244	1.5
207.10248	26.7
208.10558	1.2
212.12338	0.7
213.54671	0.6
221.06612	1.5
225.11310	37.2
226.11606	2.2
235.08209	1.9
243.12384	9.0
253.09222	1.7
255.23280	53.5
256.23666	4.6
275.20349	0.7
291.19543	4.0
309.20639	1.9
397.13522	8.2
397.22440	0.7
398.13956	1.0
401.32477	0.6
415.14447	1.8
468.39044	0.6
564.77625	0.7
605.24255	2.1
623.25439	2.0
653.36591	1.2
861.48578	13.6
862.49591	3.5
879.49542	100.0
880.49872	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	14.6
64.38229	2.0
71.01377	8.1
71.51636	2.8
78.95892	2.6
80.96505	3.5
82.42973	2.2
89.02451	6.5
90.85849	2.1
93.00813	2.1
97.06554	3.7
97.20643	2.4
98.15813	2.3
101.02430	7.1
113.02453	3.5
147.30406	2.7
171.10237	10.9
185.11748	3.1
191.14420	4.4
195.13858	6.7
201.11325	4.6
207.10260	4.3
209.11742	10.1
223.13370	4.1
225.11299	7.8
235.08197	3.3
245.19115	10.9
253.09271	23.7
255.23283	8.7
275.20187	5.6
284.61212	2.5
289.18112	46.7
290.18411	5.3
293.17966	5.1
293.21240	100.0
294.21558	9.3
307.19131	44.2
308.19376	4.9
397.13388	10.5
525.27075	2.9
569.43597	2.5
879.48877	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	881.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04899	0.7
70.77815	0.8
71.01378	15.2
71.53875	1.0
72.99297	2.6
73.02943	1.5
75.00873	10.1
81.03474	0.9
81.11248	0.8
81.20503	0.7
83.01324	0.8
85.02952	15.0
87.00854	4.9
89.02448	4.8
93.03455	2.3
95.01381	2.2
99.00873	5.0
99.04536	2.5
101.02435	2.1
102.98588	1.0
103.00352	1.2
106.42918	0.7
107.19157	0.8
111.00874	0.8
113.02451	19.5
115.00380	1.4
117.01942	1.8
120.99649	3.1
121.02942	1.1
129.01910	1.5
129.54420	0.9
143.71782	0.9
149.27193	0.8
163.14905	4.1
173.04396	0.9
179.03458	0.8
191.05603	3.3
207.05054	1.1
219.13875	1.2
237.14977	2.7
249.06120	11.6
267.07193	27.1
268.07401	1.2
374.03452	0.7
399.23868	3.6
400.00684	0.9
417.25098	1.6
449.14594	1.8
459.26047	2.4
487.21829	100.0
488.22159	12.1
753.86798	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	0.9
71.01006	1.2
71.01378	13.1
72.99302	0.8
73.02953	5.2
79.95726	2.2
81.95300	0.9
83.01391	1.3
85.02945	3.1
87.00838	1.0
87.88088	0.7
89.02442	8.7
90.72977	0.8
93.03438	1.9
95.01392	1.1
95.02222	0.7
96.96008	4.3
98.95606	1.0
101.02441	6.1
107.05004	0.8
111.15375	0.8
113.02436	8.5
119.03516	4.0
122.70647	0.7
136.01633	1.2
138.06854	3.2
153.09221	8.3
160.05276	0.9
161.04565	2.2
162.84767	0.7
163.11266	3.3
164.04628	1.1
181.12338	17.9
182.12585	1.7
191.05611	2.7
207.10327	0.9
225.11317	46.5
225.14754	11.4
226.11635	2.5
329.13821	2.5
369.19162	3.5
387.19870	1.6
405.17633	100.0
406.18045	9.5
429.21320	8.5
430.21774	1.1
467.15585	0.9
523.76929	1.0
879.27313	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	5.9
63.37974	0.7
63.96233	2.1
67.68281	0.7
69.03446	0.8
69.63612	4.6
71.01376	9.2
73.02929	1.6
74.26952	0.8
75.88511	0.7
78.95956	0.7
78.98591	7.0
79.95735	50.4
80.96515	100.0
81.03447	1.3
85.02953	3.4
87.00867	4.3
94.98081	20.6
96.96026	1.9
97.02943	1.0
101.02441	3.3
106.98109	5.7
111.34170	0.6
113.02471	0.7
122.97574	11.5
125.02453	3.8
127.03983	1.9
134.97572	7.3
136.99115	2.6
148.99112	7.7
152.98610	8.6
161.04517	1.4
164.98613	14.4
171.10213	1.5
179.00224	1.1
188.98637	0.9
206.99605	3.9
225.00734	28.2
226.01003	0.9
241.00275	1.6
255.23244	2.9
256.72733	0.8
282.36365	0.8
283.04953	1.3
313.57425	0.7
336.44565	0.9
341.05484	3.0
355.06720	1.0
411.13159	1.1
425.14850	2.2
453.14294	2.7
463.72467	0.7
537.27301	4.4
556.58575	0.9
609.29108	1.5
637.32684	1.0
679.37347	0.9
709.38373	63.0
710.38574	12.8
737.41278	4.5
765.40979	7.5
766.40985	2.1
781.40997	3.9
805.71906	0.8
810.41260	1.0
879.47845	32.7
880.48352	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	877.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	5.8
68.99568	1.5
69.03448	4.5
70.78066	1.2
70.94688	2.9
71.01376	14.3
71.05014	1.9
72.99320	2.0
73.02941	2.6
78.95891	1.5
80.96516	2.5
81.03461	4.9
83.01357	2.5
85.02940	3.7
87.00865	3.0
89.02444	8.7
97.02927	2.3
101.02449	7.1
113.02460	4.2
116.92838	1.6
119.03478	2.5
121.02953	2.6
125.02447	5.0
125.09798	1.7
151.11331	1.5
155.87888	1.2
161.09706	2.8
179.10760	5.6
197.11823	35.4
197.13564	2.1
198.12242	2.4
209.11873	1.5
221.06587	1.4
235.08244	2.1
241.10721	3.0
246.12651	1.4
255.23280	48.5
256.23611	4.6
277.21677	1.5
375.21497	1.4
383.42200	1.4
397.13470	3.9
415.14868	2.0
437.32822	7.6
438.32901	9.2
439.33368	3.3
877.47949	100.0
878.48541	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	877.224
Annotation	Unknow
Peak:m/z	Relative Intensity
67.06000	0.2
79.95733	26.2
80.96512	0.4
85.02958	0.3
87.56363	0.3
93.03438	0.6
95.95240	0.4
96.07350	0.2
96.95997	0.8
102.98595	5.0
120.99667	0.3
125.54824	0.2
135.04529	3.7
146.77493	0.2
154.86768	0.3
161.06084	0.3
163.04004	45.9
164.04317	2.0
173.04468	0.3
177.05592	0.4
178.06342	49.5
179.06677	3.0
191.05646	1.5
193.08685	46.4
194.09006	2.5
211.13388	0.8
225.10818	0.3
229.01596	0.3
229.24883	0.3
233.77336	0.2
258.02045	1.4
273.04373	100.0
274.04681	6.9
485.57605	0.3
559.18488	1.6
872.33069	0.3
907.31873	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03950	0.9
67.01889	12.6
69.03456	4.0
69.48180	1.4
69.48586	1.0
71.01382	4.8
73.02932	1.3
73.61848	0.4
81.03450	2.4
83.01365	0.6
83.05023	2.3
85.02971	1.1
87.00877	18.8
93.03458	100.0
94.03790	2.9
97.02956	0.4
98.19932	0.9
99.00892	1.9
99.04530	2.9
101.02449	1.1
109.02962	1.3
111.04519	12.8
111.41637	0.4
112.04879	0.6
113.02438	1.9
115.04004	0.8
120.99640	0.5
127.04105	0.4
129.01944	2.0
133.02937	2.8
134.03751	7.5
135.04507	3.5
137.02449	2.1
139.04015	0.4
143.03479	1.1
151.03940	0.4
155.03502	3.5
158.36012	0.4
162.03232	0.6
173.04541	42.9
174.04913	1.5
177.01921	1.6
177.90576	0.4
178.02699	7.2
179.03514	1.8
191.05554	2.7
219.84317	0.4
220.77184	0.4
265.10681	0.4
275.09317	1.3
285.93744	0.4
308.08984	0.7
339.92126	0.4
351.07220	0.8
352.08084	0.7
449.14508	46.9
450.14810	6.5
481.17114	80.3
482.17438	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	873.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	20.1
62.35338	3.5
70.94501	7.6
71.01381	11.0
73.02935	7.9
87.00869	4.2
89.02446	34.9
103.04022	8.9
114.93402	9.1
115.00322	6.4
116.92877	13.1
123.17473	3.1
140.20657	3.5
146.04587	8.6
149.04559	100.0
152.99670	4.0
197.11798	8.5
215.12791	7.9
253.09277	5.6
277.21741	13.5
304.55814	4.0
309.20764	25.2
310.20874	4.5
397.13190	5.2
680.76709	4.3
844.95074	4.3
873.48169	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	875.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99309	5.5
65.03968	0.6
67.01893	13.2
69.03456	3.8
70.33410	1.0
71.01392	4.1
73.02958	1.2
81.03469	2.6
83.05021	2.0
85.02959	0.7
87.00882	18.2
93.03461	100.0
94.03799	2.7
99.00890	1.8
99.04501	1.8
101.02412	0.8
103.04035	2.2
109.02950	0.9
111.00897	0.3
111.04525	12.4
113.02458	1.3
115.04016	0.9
123.66306	0.4
125.02497	0.3
129.01976	2.0
133.02992	2.6
134.03751	7.2
135.04529	3.1
137.02483	2.1
142.53503	0.4
143.03415	0.7
155.03482	2.7
161.02385	0.4
162.03168	0.5
173.04549	35.6
174.04950	1.1
177.01959	1.2
178.02699	7.3
179.03409	1.0
191.05588	2.1
197.87115	0.4
275.09399	1.1
351.07187	0.4
352.07773	0.7
449.14529	58.1
450.14880	6.5
481.17136	63.6
482.17526	8.1
622.28503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	72.9
64.44448	8.4
65.00739	9.2
71.53353	12.8
79.95699	9.7
80.96523	20.9
85.02946	11.9
88.98846	9.1
89.02494	11.2
91.66107	9.5
92.08127	9.3
93.03433	9.3
94.98003	8.6
116.92880	56.3
125.02363	10.9
134.89435	13.8
146.04567	10.1
154.15694	9.6
191.05618	24.2
235.08276	13.4
253.09250	40.0
272.60712	8.9
275.19958	9.9
293.21194	100.0
309.20798	9.2
323.16150	9.1
327.21750	72.4
563.30328	10.0
600.38770	9.5
837.49829	11.7
875.48804	44.8
876.45868	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	873.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
62.36130	0.2
66.10307	0.2
66.53499	0.2
71.01374	0.9
74.73991	0.2
79.95738	2.2
80.96508	0.9
83.67119	0.2
85.02953	0.4
87.00893	0.5
95.95300	0.2
96.96013	16.0
98.20638	0.8
101.02444	1.0
113.02446	0.6
135.04530	0.3
137.02435	0.5
138.97058	0.9
146.25862	0.2
150.97089	0.4
160.15536	0.2
163.04022	1.2
164.04790	94.4
165.05124	4.1
166.96565	0.4
179.07132	98.5
180.07475	5.1
180.72871	0.2
180.98006	0.2
191.05518	0.4
241.00227	17.6
242.00569	0.4
259.02786	0.3
341.12390	5.0
342.12872	0.3
381.63907	0.2
421.08078	100.0
422.08429	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	873.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	42.4
66.94470	4.7
71.51536	7.0
78.42793	4.3
86.44875	4.3
88.36796	4.1
96.41821	4.1
101.80131	4.3
112.85623	5.2
113.06054	6.2
121.38322	4.7
148.51724	4.6
182.12410	4.3
199.09743	5.5
208.24879	4.8
209.11824	63.0
227.12912	17.8
235.08273	11.1
253.09320	8.9
277.21738	100.0
278.22031	13.3
279.16122	6.4
301.21631	10.6
513.30841	8.9
627.70709	5.5
819.91663	6.1
873.48230	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	870.485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	1.3
62.86750	0.1
68.99564	0.8
69.31482	1.2
71.01389	0.3
74.02474	0.2
82.02990	0.3
84.04555	0.3
85.02959	0.4
94.37720	0.1
96.95998	0.3
101.02436	0.2
102.05607	39.6
103.05923	0.8
112.98592	0.9
116.92844	0.4
127.05142	0.2
128.03537	32.5
129.01901	0.1
129.03864	0.8
145.06183	1.6
146.04590	100.0
147.04961	2.5
191.05624	0.2
209.11771	0.1
259.01041	0.1
277.21902	0.1
312.13153	0.1
371.35590	0.2
808.33472	0.2
852.47644	0.3
870.48547	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	0.6
70.99568	0.3
71.01369	0.2
76.64955	0.1
82.02990	0.4
84.04559	0.3
85.02959	0.6
88.52161	0.1
89.59377	0.1
96.75382	0.1
96.96043	0.2
101.02422	0.4
102.05609	39.8
103.05354	0.2
103.05937	0.7
116.92849	0.8
128.03542	31.5
129.03871	0.8
134.45775	0.1
146.04593	100.0
147.04956	2.1
154.08389	0.1
161.49475	0.1
164.10835	0.1
166.31651	0.1
191.05743	0.2
209.19348	0.2
211.13475	0.7
213.11174	0.2
277.21674	0.7
397.13562	0.3
511.82077	0.2
782.47095	0.2
808.50562	0.2
832.57513	0.2
870.49530	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5127
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68169	0.8
69.03462	0.9
71.01384	23.9
71.51866	1.0
73.02950	12.1
75.24186	0.8
81.03457	4.7
83.01376	4.9
83.05028	11.8
85.02956	11.2
87.00841	1.1
89.02457	10.5
93.03440	1.2
95.01366	2.4
96.96030	1.5
99.00877	2.5
101.02441	22.5
108.04517	1.0
113.02438	9.8
116.68806	0.9
119.03484	4.5
125.07195	1.2
130.85002	0.9
131.03453	1.0
135.00871	1.7
143.03482	1.5
145.23096	0.8
149.04518	2.8
150.94440	0.8
159.02954	1.4
161.04575	12.4
167.03452	1.7
179.05530	1.1
191.03522	2.1
191.05547	3.2
192.05830	1.1
203.05588	1.1
207.15074	1.7
224.17709	1.8
225.16083	8.7
331.17609	20.9
331.79947	0.8
332.17911	2.9
333.22916	0.8
373.18658	40.7
374.19083	3.1
417.17871	1.7
431.23264	1.7
433.31580	4.6
442.16711	0.9
451.32898	100.0
452.27454	0.6
452.33191	13.9
453.33551	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
66.21170	0.1
68.99558	0.2
71.01395	0.2
79.95762	0.2
80.96519	0.3
89.02449	0.2
91.01546	0.1
98.20666	0.3
112.98537	0.1
131.88808	0.2
171.10278	0.5
222.06697	0.1
255.23203	0.2
569.72003	0.1
643.90002	0.2
870.48328	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	2.8
70.10934	0.7
70.11281	1.4
71.59296	0.3
84.04543	1.0
85.02950	1.1
87.00903	0.5
93.76022	0.3
95.84412	0.4
98.31533	0.4
102.05608	39.5
108.50697	0.3
114.95782	0.4
125.03591	0.9
127.05148	2.4
128.03543	34.6
129.03828	0.5
145.05046	0.6
145.06198	10.3
146.04593	100.0
147.04967	2.2
191.05605	3.2
201.62674	0.4
209.11827	0.5
211.13284	0.4
242.21185	0.3
277.21667	0.8
451.08145	0.4
464.88995	0.4
610.28296	0.5
610.78314	1.4
611.28741	2.3
611.78680	0.8
630.42578	0.4
852.48212	0.6
870.48669	1.7
871.48877	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98529	0.2
68.99566	0.6
70.94563	0.3
70.94907	0.4
71.01388	0.7
78.95902	0.3
79.95734	0.5
80.96521	1.3
89.02461	0.5
97.02956	0.2
101.02462	0.4
104.24061	0.2
112.98560	0.4
138.19492	0.2
145.71690	0.2
153.55032	0.2
164.98482	0.2
209.11867	0.4
211.13387	2.0
225.00809	0.6
277.21768	1.5
397.13489	1.1
774.70770	0.2
783.42072	0.3
868.46063	0.4
869.46838	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98535	0.1
63.42316	0.1
70.00121	0.1
70.38437	0.3
71.01379	0.3
79.95750	0.3
80.96498	0.6
85.02980	0.1
89.02414	0.1
94.98100	0.1
112.98538	0.1
136.28003	0.1
164.98705	0.1
211.13420	0.5
225.00768	0.2
233.03975	0.1
277.21771	0.3
364.98975	0.1
397.13708	0.2
440.17920	0.1
702.93964	0.1
717.76752	0.1
779.11786	0.1
868.47174	0.2
869.47418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98539	0.1
69.51297	0.2
69.51722	0.4
71.01404	0.2
79.95733	0.3
80.96505	1.2
94.98098	0.4
148.99156	0.1
163.03909	0.1
164.98660	0.2
225.00812	0.3
277.21616	0.1
526.37469	0.1
626.84119	0.1
765.42041	0.1
868.48279	0.2
869.47308	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	869.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
71.23315	0.5
74.24412	0.3
76.06032	0.3
93.03455	0.4
101.02352	0.3
135.04526	1.8
137.02437	1.3
156.11343	0.3
163.04007	14.3
164.04787	95.5
165.05115	4.9
178.06352	10.0
179.07129	100.0
180.07483	5.2
191.05605	0.5
193.08690	13.7
194.09010	0.7
273.04337	0.6
323.11343	0.6
341.12482	0.3
383.13464	13.6
384.13757	1.1
449.14670	0.3
450.15015	0.4
517.29639	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
60.79768	1.1
69.03465	1.3
69.45494	4.7
69.45922	4.1
71.01381	85.0
72.99296	4.4
73.02943	89.0
74.03291	1.8
74.65786	1.1
75.00819	1.5
81.03445	1.5
83.01382	27.3
85.02949	13.5
87.00881	3.7
89.02441	50.2
90.02779	2.1
92.05939	1.2
93.24967	1.4
95.01390	5.0
96.96004	1.7
97.02948	2.2
98.20695	2.4
101.02441	100.0
102.02795	3.3
113.02445	40.4
119.03503	24.9
125.02421	5.0
127.63469	1.3
131.03490	12.7
143.03499	12.0
146.35800	1.2
147.02928	1.4
149.04533	24.2
155.03488	4.3
159.54794	1.4
161.04541	41.9
162.04874	3.0
179.05620	10.7
190.80751	1.5
191.05568	2.0
201.14490	1.4
203.05603	4.8
220.98759	1.5
221.06699	12.8
261.13156	2.2
283.09799	2.8
303.14307	3.7
311.09299	6.4
326.11459	4.9
341.13794	9.1
425.48138	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	5.9
63.96238	1.8
71.01382	9.6
73.02940	2.8
75.74577	0.8
78.10471	0.8
78.95882	1.3
78.98579	7.0
79.95732	23.2
80.96515	100.0
82.96085	1.8
85.02950	5.3
87.00859	3.2
94.98081	22.7
95.18484	0.7
96.95997	1.0
97.02948	2.0
99.67740	0.8
101.02407	2.8
106.01462	0.8
106.98096	4.8
122.97565	5.9
125.02415	3.3
127.06255	0.7
134.97574	6.9
136.99142	1.8
148.99127	7.0
152.98616	7.3
164.97342	1.3
164.98627	14.9
178.87094	0.9
206.99588	3.2
225.00746	17.5
226.01088	1.2
255.36862	0.8
277.21503	1.3
283.05032	0.9
589.23230	1.3
867.45654	98.6
868.45996	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	867.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	20.5
67.88110	0.7
69.03454	1.2
71.01382	18.8
72.99298	1.4
73.02940	3.4
78.95893	1.7
79.95733	1.1
80.96508	6.0
83.01367	2.3
85.02941	5.5
87.00880	7.0
89.02443	16.6
90.90633	0.9
93.03406	1.0
95.01364	1.9
97.02931	4.0
101.02444	14.3
113.02435	8.5
115.03989	0.8
116.92764	1.3
119.03497	4.2
125.02447	7.0
125.09772	1.5
127.11301	1.8
143.03477	2.2
148.99168	0.9
161.04567	5.0
164.98602	1.2
171.10258	100.0
172.10609	3.9
173.12186	0.9
179.05569	3.6
199.05948	0.9
217.07065	1.0
221.06480	1.6
225.00621	1.1
235.08195	6.1
255.23277	74.5
256.23593	5.6
259.08121	1.8
269.25037	0.9
277.21677	2.8
287.07733	2.6
297.24261	0.9
305.08768	2.5
323.09775	1.3
364.41434	0.9
370.89996	1.1
374.20383	1.0
379.12424	19.6
380.12711	1.6
397.13452	47.7
398.13831	3.3
415.14554	7.1
416.80679	1.0
551.23462	4.8
569.24438	2.3
586.76526	1.0
635.36469	3.5
653.37866	6.1
654.37592	1.1
774.90454	1.0
794.50323	1.4
867.45593	4.8
868.46838	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.51760	0.6
80.96525	3.6
86.37544	0.4
94.98125	0.7
107.49370	0.4
112.39301	0.4
164.98802	0.5
225.00804	0.8
245.06403	0.4
277.21811	0.8
742.09943	0.5
781.40991	0.5
866.49957	1.1
867.46509	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	866.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60978	0.1
61.98828	100.0
62.98538	0.2
69.79921	0.6
69.80334	0.3
71.01391	0.3
78.49827	0.1
78.95924	0.2
79.95711	0.2
80.96519	0.7
85.02975	0.2
89.02463	0.3
94.98112	0.2
96.96964	0.2
97.94493	0.2
98.20794	0.2
101.02444	0.3
102.19289	0.1
161.04617	0.2
171.10249	0.4
209.11789	0.8
210.12238	0.5
220.11313	0.1
225.00786	0.2
253.09357	0.2
255.23334	0.5
256.23782	0.3
257.23730	0.2
277.21826	0.5
278.22055	0.3
291.19702	0.2
292.20172	0.2
293.21030	0.2
309.20731	0.2
310.20862	0.2
376.08044	0.1
379.12442	0.2
397.13916	0.3
399.14594	0.2
867.45178	0.3
888.69269	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98549	0.2
71.01389	0.4
78.98611	0.4
79.95749	0.9
80.96513	3.8
82.96124	0.2
85.02953	0.2
94.98094	0.7
98.04349	0.1
103.64021	0.1
106.98059	0.2
115.79337	0.1
115.94123	0.1
122.97589	0.2
134.97606	0.3
148.60626	0.1
148.99158	0.5
160.35213	0.1
164.98643	0.5
165.86871	0.1
186.24706	0.2
222.53516	0.1
224.42056	0.1
225.00708	1.0
226.01102	0.1
856.82739	0.2
866.50116	4.0
867.49524	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	2.5
71.52541	1.1
79.95738	22.6
80.96500	5.4
85.02977	1.5
85.88693	1.0
87.00872	1.7
88.90459	0.8
93.03454	6.5
96.95979	4.2
111.04566	0.9
113.02419	1.3
135.04523	1.6
137.02499	1.1
161.02330	1.1
163.03993	2.5
164.04788	83.9
165.05122	5.0
173.04550	2.4
179.07132	64.3
180.07425	5.2
183.50307	0.9
191.03870	1.2
191.05603	8.4
208.43207	0.8
231.10289	1.9
259.02792	100.0
260.03186	6.5
261.02313	1.7
275.09207	2.4
277.10818	3.0
277.20599	0.9
369.10010	1.9
449.14438	5.9
581.40332	1.0
900.04608	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
64.02129	0.4
69.80245	2.0
71.01419	0.4
79.95738	18.8
80.96521	6.2
91.75367	0.4
96.96014	4.9
98.20683	0.5
119.05096	0.4
135.04535	0.4
137.02449	0.8
151.57037	0.4
162.03311	0.6
163.03989	1.7
164.04790	78.2
165.05130	3.8
176.90607	0.5
177.05568	0.8
179.07137	64.4
180.07449	3.2
257.01355	0.5
259.02792	100.0
260.03116	6.9
311.74002	0.4
329.13992	0.8
361.15164	0.6
437.09103	2.3
609.38373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	8.8
71.01386	26.1
71.14172	8.9
71.14512	6.2
73.02942	6.1
79.54678	4.8
80.96481	4.2
86.89690	4.9
87.00850	8.5
89.02434	14.4
101.02452	7.8
101.69042	4.3
113.02432	8.7
118.90481	4.8
119.03526	5.0
125.02354	7.9
140.42632	5.3
148.99031	4.3
160.41806	4.9
165.36151	5.2
171.10257	100.0
181.37430	4.9
235.08273	9.6
238.58411	5.2
255.23244	8.7
277.21729	75.5
278.22018	9.5
379.12366	24.3
379.17532	4.2
397.13495	67.8
398.13892	8.4
415.14508	10.0
502.92319	4.8
534.29620	5.5
551.23242	7.6
657.35028	6.1
660.59167	5.6
675.36041	6.7
737.45227	6.2
789.17505	6.0
864.60712	6.6
865.43097	41.3
866.43378	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	865.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	24.9
63.34095	6.2
64.78696	4.8
71.01386	14.7
71.52331	7.6
71.52686	5.7
78.95901	22.2
85.02945	11.7
87.00869	6.9
89.02440	17.1
99.51543	5.5
101.02445	21.4
114.13045	5.5
115.50855	6.2
135.58682	5.2
143.03514	4.8
152.99593	27.1
161.04562	6.2
171.00577	8.2
171.10265	100.0
172.10510	8.5
209.11819	17.1
234.92311	5.8
235.08145	12.4
245.04300	9.8
255.23238	15.9
256.23578	8.8
277.21762	61.7
323.09970	6.9
366.80295	7.4
379.12439	20.8
397.13547	64.0
398.13745	9.9
481.25632	32.0
551.23090	7.0
569.24927	9.8
648.43048	6.2
865.43835	35.6
866.45648	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	863.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01707	0.9
61.98824	2.8
62.99943	0.7
69.03465	1.0
71.01378	14.5
71.01772	0.9
72.99292	2.0
73.02940	2.2
81.03430	1.7
83.01395	1.6
83.05014	4.3
84.02169	1.8
85.02954	3.7
86.22726	0.8
87.00864	4.4
89.02448	16.1
95.01391	1.8
97.02955	2.7
99.00880	1.8
101.02443	12.1
111.04510	0.9
113.02458	7.7
118.25557	0.8
119.03490	3.6
125.02431	5.5
135.08185	0.9
141.01709	12.9
143.03484	2.5
161.04568	3.7
163.11275	3.4
165.12827	1.9
179.05602	3.2
190.70929	0.9
209.11813	100.0
210.12193	7.0
217.07199	0.8
221.06599	1.2
227.12886	18.6
228.13249	1.0
235.08192	5.3
253.09251	0.8
255.23286	57.6
256.23694	4.5
272.84662	0.9
287.07803	1.7
323.09756	2.0
379.12466	8.0
397.13507	37.7
398.13895	3.6
415.14630	9.1
653.37360	1.9
762.86090	1.1
863.49707	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	863.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	2.3
69.03454	1.2
71.01378	17.8
71.05016	0.5
72.99308	1.4
73.02950	2.7
78.95913	0.5
80.02669	1.3
80.96496	0.3
81.03456	1.5
83.01395	2.5
83.05022	5.9
84.02153	0.6
85.02946	5.3
87.00870	4.7
89.02442	14.9
93.03452	1.2
95.01363	1.5
95.05027	0.8
97.02941	2.8
99.00833	0.8
101.02438	13.6
101.03109	0.7
104.72444	0.3
109.06558	0.4
111.04515	0.9
113.02448	7.7
115.03969	0.4
119.03490	4.0
121.02926	0.4
125.02451	6.5
125.06056	0.5
131.03488	0.5
135.08150	0.9
139.04010	0.8
141.01900	0.4
143.03468	2.7
143.62891	0.4
145.05078	0.4
148.81746	0.3
149.04559	0.6
150.24487	0.3
161.04579	3.2
163.11287	4.1
163.99333	0.7
164.11574	0.3
165.00183	1.8
165.12828	2.4
167.03473	0.6
173.04536	0.8
179.05585	3.2
181.12317	0.5
191.05612	4.8
191.10713	1.0
191.98834	1.0
192.99611	0.9
198.37286	0.3
208.99123	1.6
209.11810	100.0
210.12154	6.3
217.07162	1.2
221.06578	1.6
227.12878	12.2
228.13168	0.5
231.25607	0.4
235.08176	5.6
235.16946	0.8
245.06728	0.4
253.09271	1.2
255.23273	53.6
256.23605	5.0
263.07596	0.8
269.24805	0.7
275.20184	1.4
287.07748	1.5
291.19678	2.3
293.21136	1.6
297.24194	0.6
305.08887	2.3
323.09729	0.9
354.44424	0.4
379.12430	6.8
380.12640	0.6
385.06165	0.7
397.13477	39.7
398.13742	3.5
415.14511	8.5
416.15024	0.8
589.24994	0.6
607.26569	0.4
616.58771	0.4
653.37811	1.0
654.36633	0.4
697.26068	0.4
750.99072	0.4
863.49304	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01705	6.4
69.98457	2.7
71.01380	70.2
71.34828	2.6
71.52037	4.8
73.02950	21.9
79.95708	3.4
80.96539	17.2
83.01396	10.4
85.02946	29.8
87.00881	5.4
89.02442	16.1
92.94028	2.9
95.01412	6.0
96.96017	26.5
98.95602	3.6
99.00857	7.0
101.02441	53.1
113.02440	30.9
119.03483	9.0
121.22115	2.7
125.02411	3.1
136.57399	2.9
139.07712	3.4
143.03513	3.6
146.03731	7.1
146.94604	3.2
153.09286	2.8
154.09251	2.9
159.02992	5.4
161.04559	25.6
175.86620	3.1
179.03615	3.1
179.05547	5.3
179.07042	2.7
191.05658	6.2
225.14978	4.4
227.16605	4.6
263.05667	2.7
347.11649	9.1
371.20694	7.8
387.20209	33.8
388.20715	3.6
389.21820	60.7
431.22855	100.0
432.23203	11.9
455.10254	13.6
456.10626	5.9
457.10266	6.4
643.17865	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	863.483
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96230	2.3
64.77117	0.6
71.01013	0.7
71.01381	11.1
73.02944	2.6
74.02214	0.6
74.72143	0.5
78.95901	2.1
78.98595	7.0
79.95739	18.2
80.27540	0.6
80.96516	92.9
81.03437	1.2
82.96127	3.0
85.02935	3.8
87.00870	3.7
91.09458	0.5
94.98087	22.0
96.96002	1.8
96.96967	0.7
96.97673	1.3
97.02931	1.8
101.02426	3.8
105.32657	0.6
106.98081	3.6
122.97581	5.0
125.02464	3.4
126.76559	0.5
127.04027	0.7
134.97586	6.1
136.99121	1.8
148.99135	7.2
152.98618	7.2
164.98616	16.1
188.98540	1.0
195.63284	0.6
206.99655	3.4
225.00726	25.5
226.01102	1.2
241.01213	1.1
255.23318	3.3
267.12091	0.6
283.05203	0.8
356.24295	0.6
504.54373	0.8
537.27472	1.7
607.24078	1.7
692.22437	0.6
764.75909	0.6
775.42389	0.9
863.48163	100.0
864.48523	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	863.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99308	5.1
67.01888	13.6
69.03452	3.5
71.01377	5.2
71.52196	0.5
72.99295	0.6
73.02952	0.7
81.03448	2.6
83.05027	2.3
85.02937	1.2
87.00336	0.9
87.00875	18.0
93.03457	100.0
94.03779	3.3
96.96014	0.8
99.00885	1.7
99.04511	2.5
109.02922	0.8
111.04523	15.2
112.04845	0.7
113.02444	2.1
113.84384	0.5
115.04010	0.8
129.01909	2.2
133.02980	2.1
134.03740	10.0
135.04535	6.0
137.02434	1.6
143.03474	0.6
151.04005	0.6
155.03551	3.4
173.04549	50.8
174.04906	1.7
177.01953	1.3
178.02747	4.6
179.03479	2.2
191.05525	2.4
231.10277	0.6
275.09094	1.2
293.10248	1.8
352.08005	0.6
423.16519	1.2
449.14514	43.6
450.14801	5.5
462.71481	0.5
467.15558	82.1
468.15906	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	863.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01700	12.3
60.52145	6.3
70.78595	17.5
70.90762	7.4
71.01388	100.0
73.02940	33.4
74.23570	6.0
83.01382	11.0
85.02945	57.2
89.02435	13.3
95.01382	15.0
99.00870	15.8
99.04514	75.6
101.02443	60.5
113.02444	36.7
132.61017	8.6
159.02977	8.2
161.04565	34.5
164.81219	7.3
191.05569	14.9
197.09599	8.5
233.11783	28.6
277.10818	11.1
312.79099	6.3
366.57614	7.9
399.23935	59.4
400.23984	12.4
441.24872	40.8
442.24997	9.9
519.62598	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	861.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96595	4.2
61.98833	11.8
62.89099	4.3
71.01372	10.4
78.98560	5.5
79.95719	23.5
80.96521	100.0
94.98068	24.2
122.97540	5.4
134.97522	5.0
135.65410	4.8
148.99144	10.1
152.86324	4.2
152.98610	8.6
160.68018	4.4
164.98659	12.4
225.00685	16.1
244.11322	4.4
277.21771	8.0
385.51022	5.7
411.78088	4.5
459.18552	4.8
470.12650	4.9
564.86902	5.8
575.24048	4.6
717.29504	4.8
861.46790	94.3
862.47308	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	863.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	1.9
69.23465	3.8
69.23888	4.7
71.01369	5.2
73.02953	5.3
79.05531	4.6
79.95734	3.2
80.96490	1.5
83.01389	2.8
83.05008	2.7
83.98222	1.1
85.02955	4.8
87.04512	3.0
92.23641	0.9
93.03467	1.3
96.95992	3.7
97.02941	10.1
98.19940	1.8
99.04516	1.0
101.02442	3.7
107.05036	1.8
112.12075	1.0
113.02444	5.7
118.17648	1.0
119.05043	1.5
121.02956	6.9
121.06551	1.7
122.03732	3.2
123.00924	1.5
123.04511	5.9
123.08182	1.1
124.01694	1.4
125.02465	4.7
127.04032	1.2
131.08643	1.6
133.06628	1.4
133.10214	3.1
135.04471	2.2
135.08183	8.2
137.02391	1.0
137.06084	2.7
146.03677	2.6
147.04480	5.8
147.08203	1.3
149.02403	1.7
149.09668	1.9
150.03217	7.1
151.03958	1.2
153.09203	27.3
154.09529	1.2
157.10168	1.9
157.13988	0.9
158.03720	4.5
159.04504	14.6
159.08134	4.3
160.05302	42.4
161.06079	22.8
162.06367	1.1
163.04005	8.2
164.04773	19.2
165.05319	2.2
168.04294	0.9
173.06046	4.4
175.07637	30.6
175.11043	1.1
176.04805	1.2
176.07980	2.1
177.05547	8.0
177.09206	5.1
178.06340	10.7
179.07132	12.5
188.04724	1.1
189.09154	2.2
189.40479	1.0
191.05566	2.7
191.10812	1.1
192.07753	1.1
193.08698	9.1
197.08188	5.7
201.09189	3.8
203.07108	10.0
205.08603	1.1
219.10269	2.8
221.08188	7.9
239.09081	1.4
259.02780	10.4
259.88568	1.0
260.03076	2.1
263.09271	10.0
264.09537	1.0
281.10321	1.2
314.11612	1.9
315.12326	5.3
329.13922	100.0
330.14151	11.3
341.12341	14.6
342.12775	1.6
345.13461	2.4
359.14993	12.1
360.15112	1.4
365.12607	1.0
503.19299	1.7
606.28778	1.0
664.17981	1.1
671.26923	6.2
701.28033	25.2
702.28552	5.5
863.33350	42.2
864.34015	11.5
886.53015	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01719	2.1
66.45744	1.3
67.79606	1.3
69.03454	1.4
70.33189	3.7
70.33552	2.0
71.01379	28.8
72.99311	3.2
73.02940	10.7
75.00872	10.5
83.01379	3.4
85.02947	24.9
87.00873	6.9
89.02436	7.3
93.03432	2.3
95.01398	5.2
99.00891	5.9
99.04536	6.8
101.02445	9.8
103.00382	2.4
113.02451	34.3
117.01917	2.4
119.03469	2.0
129.01944	1.1
160.34290	1.2
161.04555	2.7
161.13339	5.1
173.04541	1.4
175.02478	1.6
191.05611	3.2
196.21309	1.1
201.09233	1.3
207.05037	2.0
229.08681	1.6
231.10231	2.9
235.13457	3.4
245.08165	1.8
249.06131	10.3
261.97925	1.4
267.07199	100.0
268.07477	5.2
275.09222	2.4
362.39764	1.2
399.23813	3.6
441.25031	7.6
485.20288	81.2
486.20721	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	861.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01694	14.4
65.14202	3.4
67.53371	3.6
67.89400	3.3
71.01385	64.7
71.53646	4.1
71.54024	4.0
73.02941	26.1
83.01396	11.8
85.02954	37.6
89.02449	19.4
93.03461	7.4
95.01373	7.4
99.00867	7.7
99.04513	51.4
101.02431	42.0
104.07603	3.4
113.02463	31.3
119.03468	3.8
137.02420	6.6
143.10727	5.5
149.85437	3.5
159.08096	4.4
161.04512	17.8
176.47238	3.3
191.05591	6.8
201.09140	11.6
213.09140	9.1
215.07141	4.9
219.17503	14.5
229.08749	14.2
231.10265	36.4
237.18535	7.5
245.08180	18.6
257.08188	15.5
267.07178	10.2
275.09232	10.9
381.22195	4.2
399.23917	37.0
399.98813	3.6
400.24292	6.3
441.25006	100.0
442.25134	16.5
485.20197	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	861.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99306	6.0
65.03956	0.7
67.01890	14.9
69.03455	3.9
70.24607	1.9
71.01383	4.2
73.02966	0.6
81.03471	2.1
83.05013	2.2
85.02972	0.4
87.00337	0.7
87.00877	17.4
93.03457	100.0
94.03780	3.3
96.95999	0.4
99.00891	1.8
99.04512	2.0
101.53369	0.4
109.02943	1.1
111.00805	0.5
111.04518	12.9
112.04903	0.4
113.02455	1.3
115.04021	1.2
123.21182	0.5
129.01923	2.7
133.02980	1.2
134.03745	9.1
135.04532	5.5
137.02432	1.2
139.03973	0.4
143.03467	0.7
145.29881	0.4
155.03502	2.8
162.03244	0.7
173.04539	43.5
174.03430	0.4
174.04912	1.6
177.01981	1.2
178.02722	4.5
179.03467	2.1
191.05595	2.5
205.58812	0.4
213.58275	0.4
232.81538	0.5
275.09219	1.0
293.10455	1.9
356.22809	0.4
398.68011	0.5
437.24448	0.4
449.14532	42.4
450.14850	5.1
467.15552	77.3
468.15918	10.0
481.17087	0.9
619.09900	0.5
714.33484	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	28.3
74.96870	4.4
75.00867	9.1
101.02442	7.1
103.00389	10.3
116.92863	14.1
118.28389	4.2
136.14381	4.3
151.00284	4.9
171.10217	7.3
174.31142	4.6
229.31384	6.5
235.08319	36.7
251.05786	4.2
253.09276	28.1
277.21735	100.0
277.24768	6.4
278.22037	13.0
309.20810	6.7
327.18280	7.0
327.21808	97.1
328.22034	8.1
357.86856	4.5
358.23376	4.3
511.48047	5.0
513.30896	9.7
545.29388	13.5
563.30383	5.8
764.53711	5.2
859.49194	27.6
860.48669	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	861.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
74.99092	0.3
79.95734	31.9
80.96529	0.7
81.95338	0.4
94.72159	0.3
95.95268	0.4
96.96008	11.6
98.95591	3.3
98.96268	0.3
102.98592	4.6
110.02275	0.3
110.18402	0.3
135.04498	3.8
146.03780	0.3
149.06128	0.5
161.06044	0.5
163.04001	50.1
164.04346	2.5
177.05650	0.4
178.06342	52.9
179.06718	3.1
193.08687	45.7
193.44810	0.3
194.09012	2.8
258.02014	2.1
273.04370	100.0
274.04700	6.3
275.04471	0.4
326.07852	0.4
330.14908	0.3
356.12643	0.4
358.13971	0.3
393.12024	0.4
430.13916	0.4
434.38824	0.3
554.85443	0.3
861.25220	4.0
862.25964	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99302	5.4
67.01891	14.4
69.03451	3.9
70.13789	3.5
70.78916	0.7
71.01382	6.8
73.02932	1.8
81.03457	3.0
83.05009	2.1
85.02956	1.8
87.00346	1.0
87.00875	18.9
93.03457	100.0
94.03801	3.0
96.96005	3.3
99.00866	2.4
99.04522	2.2
101.02443	1.5
111.03819	1.2
111.04525	13.5
113.02462	1.6
115.04025	1.0
129.01939	1.5
132.48668	0.7
133.02960	2.2
134.03751	9.3
135.04553	3.9
148.05298	41.3
149.04512	0.7
149.05612	2.1
155.03482	3.3
161.02443	0.7
162.03166	3.3
163.07643	40.4
164.07971	2.8
173.04541	47.3
174.04910	1.3
177.01906	0.8
178.02644	1.2
178.06186	0.7
179.03484	1.5
191.05583	5.2
231.10255	3.2
261.05383	0.9
275.09290	7.3
276.09622	1.1
280.22067	0.8
317.50073	0.8
351.07205	1.2
352.08252	0.8
357.46460	0.8
449.14496	90.2
450.14844	10.7
467.15561	27.8
468.15863	3.0
484.04333	0.9
580.77686	0.8
768.81323	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52536	0.3
71.73028	0.2
77.93352	0.2
79.95733	13.1
81.95325	0.4
95.95250	0.5
96.96006	100.0
97.95927	0.3
109.02962	0.2
110.97569	1.2
133.50122	0.2
135.04482	1.1
151.00369	0.2
153.89497	0.2
154.44543	0.2
163.04005	9.1
164.04314	0.7
166.02646	1.1
177.01840	0.2
177.05569	0.2
178.06335	9.4
179.06702	0.9
180.06860	0.2
181.05049	2.0
191.05536	0.6
193.08681	8.8
194.05719	0.2
194.09009	0.9
258.02127	0.3
261.00479	0.2
267.03024	0.2
273.04373	16.6
274.04678	1.9
275.04199	1.0
283.06042	0.4
296.06689	0.5
297.07458	0.2
298.08423	0.2
300.10089	0.2
310.08435	0.2
311.05554	1.3
311.09277	0.5
312.05832	0.2
326.07956	3.8
327.08435	0.5
327.12057	0.3
341.10281	4.2
342.10678	0.5
356.12607	6.2
357.13083	0.6
451.06943	0.3
466.09348	1.0
479.10245	1.0
480.10416	0.2
493.11871	0.2
562.74469	0.2
699.17767	0.3
779.13251	0.3
809.26282	0.3
859.24805	24.5
860.25336	6.2
860.38336	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99293	1.8
62.50308	0.6
67.01899	5.5
68.11026	0.7
69.03445	2.0
70.59354	1.5
70.59687	0.8
71.01380	4.5
74.30853	0.6
81.03449	1.6
83.05029	1.5
85.02951	2.4
87.00870	7.6
91.73518	0.7
93.03458	40.9
94.03755	1.1
97.06606	0.9
97.49236	0.7
99.00880	1.0
99.04529	1.5
108.02154	3.7
109.02988	1.1
111.00842	0.9
111.04523	4.1
113.02393	0.7
115.03978	0.8
118.65530	0.8
121.02932	2.6
122.03743	2.1
123.04538	1.0
124.01676	8.7
125.02477	4.0
126.03213	2.0
129.01941	1.4
132.02208	0.7
133.02971	4.2
134.03743	15.2
135.04524	100.0
136.04752	3.5
137.02435	2.9
143.03508	1.1
146.05846	0.9
150.03226	5.4
151.04002	15.6
155.03427	1.1
160.01656	1.9
161.02440	3.3
162.03236	1.1
173.04546	13.8
177.01979	1.2
178.02725	1.3
179.03494	23.2
180.04120	2.8
191.05600	26.8
192.06015	1.7
243.06473	0.8
257.08170	4.1
275.09323	2.9
290.08008	1.1
306.07477	1.1
307.08191	11.1
308.08990	25.8
309.09332	1.9
323.07895	1.5
351.07382	2.1
352.07986	55.3
353.08267	6.4
449.14529	51.5
450.14914	5.7
887.88721	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.466
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33934	11.8
61.87161	12.3
61.98833	44.2
125.08004	11.6
211.68512	12.6
237.14920	53.6
277.21628	100.0
305.17743	18.7
855.46216	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	10.6
69.03458	2.9
71.01383	8.3
71.52453	0.6
71.52875	1.1
72.99308	0.8
73.02937	2.5
81.03436	0.9
83.01405	0.9
83.04992	1.2
84.02137	1.1
85.02946	9.1
87.00866	1.7
87.04508	0.7
88.98798	0.7
89.02443	5.2
93.03461	0.6
95.05018	0.7
96.96021	3.7
97.02934	4.3
97.06571	2.7
98.95570	0.6
99.04456	0.6
101.02433	7.4
108.93587	0.6
109.06589	1.1
111.08163	4.5
113.02454	3.3
116.92799	1.1
119.03479	1.4
119.08633	0.7
123.08105	0.8
125.09680	1.8
125.41626	0.7
127.11268	1.2
137.09714	2.5
151.11328	0.6
153.09122	0.6
155.10776	1.1
161.04575	2.8
163.11273	1.5
165.12817	1.6
167.14314	0.8
169.12337	2.3
171.10262	25.1
172.80089	0.7
179.05647	1.2
181.12343	1.0
183.13889	6.4
185.11774	1.3
191.05609	1.2
193.12335	1.3
195.13870	0.8
197.10008	1.1
197.11827	23.1
198.12117	1.3
199.13373	1.3
201.11244	1.5
209.11821	2.4
209.15454	2.9
211.13396	15.8
212.13660	1.0
221.11819	2.8
223.13286	1.2
223.17029	1.9
225.14886	0.7
227.12881	2.3
229.14456	7.3
233.15535	0.8
235.08212	8.6
235.17032	0.7
239.12895	1.2
247.20560	2.0
251.16508	4.2
253.09274	36.7
254.09584	1.6
263.20224	1.3
265.17984	1.0
273.18506	1.7
275.20090	1.2
291.19650	27.0
292.19965	3.0
293.21219	2.3
309.20694	84.2
310.21024	8.2
327.21747	100.0
328.22089	8.4
343.21100	4.0
351.21405	0.6
527.28699	0.9
545.29773	4.8
563.30798	5.6
619.42090	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	855.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33075	0.4
69.33483	0.9
75.45944	0.1
78.21942	0.1
79.95734	0.2
83.64597	0.1
84.51537	0.1
96.96036	0.2
119.05025	0.3
135.04520	0.1
137.02417	1.2
138.03308	0.1
157.77080	0.1
163.04008	1.8
164.04784	100.0
165.05116	4.7
174.16107	0.2
175.11896	0.2
179.07127	97.1
180.07460	5.2
180.09042	0.3
259.02734	1.0
274.19925	0.2
341.12433	0.3
383.13446	14.0
384.13803	1.4
397.30200	0.2
506.83200	0.2
539.44415	0.2
857.15887	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94080	0.2
71.01392	0.2
71.52303	0.2
75.82496	0.2
76.28529	0.2
78.08852	0.2
79.95751	0.2
89.02402	0.2
96.96016	0.3
135.04526	0.3
137.02457	1.0
162.03296	0.2
163.04027	3.5
163.07648	0.3
164.04785	99.5
165.05096	4.7
177.05583	0.4
178.06348	1.3
179.07126	100.0
180.07466	5.1
180.68774	0.2
191.05618	0.2
193.08743	1.0
221.08177	0.2
273.04318	1.5
323.11334	0.5
341.12469	0.4
383.13440	13.6
384.13766	1.2
417.64105	0.2
494.86099	0.2
501.00015	0.2
796.62769	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.33
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	7.5
71.51989	2.6
73.02948	2.4
85.87320	1.7
87.00873	8.7
89.02435	4.4
101.02435	3.0
106.06667	4.3
108.02181	3.5
108.04527	3.6
110.06174	1.9
113.02437	4.5
121.05327	3.1
121.29122	1.8
122.06102	13.8
133.96269	1.7
134.06116	23.9
135.06934	4.2
136.01700	2.0
136.07637	9.4
138.05505	2.3
140.07175	31.0
144.04524	2.8
146.06056	3.0
149.04840	11.1
150.05566	7.2
152.01097	3.2
152.07167	6.0
161.04788	3.8
162.05600	21.7
163.06273	2.2
164.03642	4.4
164.07156	18.3
166.05057	5.7
167.05847	3.1
172.04007	1.7
174.05618	2.2
191.05614	6.4
200.06975	2.0
204.06633	5.6
211.05136	2.3
211.08797	2.7
212.05917	5.8
224.09302	3.1
224.11169	2.0
225.06609	2.3
225.10289	2.1
227.11765	2.6
229.09752	6.2
232.59212	2.1
237.08080	3.0
237.10335	7.4
238.07402	3.8
239.08250	13.8
239.11845	2.7
240.08939	4.2
241.09608	2.7
251.08286	4.3
251.11816	4.6
252.09035	6.6
252.12642	2.9
253.06218	9.2
253.09801	21.4
253.12462	3.0
254.10321	4.4
255.11398	9.6
257.09341	9.9
261.12445	11.2
264.33963	1.8
265.06113	4.9
265.09521	1.9
266.06952	9.4
267.07907	13.4
267.11154	12.5
268.08539	4.3
268.12024	6.6
269.13083	2.5
270.10037	3.1
273.12308	5.8
277.09839	2.7
279.07776	9.1
279.10980	3.0
280.08511	32.2
281.09232	28.2
282.09976	2.9
283.10849	6.2
284.07990	2.5
285.09073	3.9
285.12399	19.1
286.12781	2.2
295.10864	100.0
296.11575	25.8
297.12402	11.9
299.10278	3.6
301.11789	3.8
302.12732	3.8
303.13480	76.1
304.13876	6.7
311.10410	2.2
313.12198	1.9
319.45114	2.0
327.09851	2.8
327.13464	24.4
328.14120	2.6
334.81052	2.6
339.06171	2.8
339.09885	24.8
340.10294	2.6
341.11261	5.1
371.12534	20.8
372.12662	4.6
373.14014	2.7
390.14673	2.9
404.16171	3.2
406.14029	3.8
420.15405	3.1
463.16910	3.5
465.18808	21.3
466.50479	2.2
479.16803	2.3
481.18546	2.1
483.19943	7.0
511.19363	2.4
557.24164	4.9
557.36060	2.1
601.22943	34.6
602.14673	2.3
602.23401	6.3
633.25665	23.2
634.25568	5.1
642.19751	2.0
761.30817	6.1
765.90558	2.0
805.29279	53.6
806.29541	14.3
823.30450	76.6
824.30487	20.0
837.32153	16.1
838.32880	5.1
855.32532	18.6
856.32971	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	853.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	8.2
62.85025	0.5
63.96235	1.8
69.03442	0.5
71.01379	8.8
71.01771	0.5
73.02950	2.1
78.98584	7.6
79.95734	27.6
80.96517	89.0
81.03458	1.0
82.96103	0.5
85.02962	2.5
87.00875	2.7
94.98086	20.3
96.96016	1.1
97.02948	1.5
99.00880	0.9
101.02426	2.5
106.98082	3.4
122.97573	3.6
125.02460	3.2
127.04002	1.1
134.97583	5.6
136.99165	1.6
148.99153	6.3
152.98634	5.7
164.98621	13.0
197.74881	0.4
206.99658	2.2
217.46773	0.5
225.00742	17.4
226.01018	0.6
229.22150	0.5
277.21710	0.7
283.04898	1.8
293.97409	0.5
341.05518	0.9
355.06973	1.0
544.69366	0.5
559.25830	1.4
575.25830	1.5
631.28693	0.7
647.06830	0.5
839.83929	0.8
853.47711	100.0
854.47943	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	853.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
60.98748	0.7
61.98829	76.2
62.36897	0.7
63.96246	1.9
69.03446	1.5
71.01384	11.2
71.26592	1.3
72.99264	0.8
73.02944	2.8
78.98590	7.1
79.95733	24.8
80.96515	100.0
81.03474	1.0
82.96106	1.3
85.02935	3.2
87.00878	3.9
88.52251	0.5
94.98085	21.5
96.96011	1.7
97.02949	1.7
101.02443	2.8
106.98081	5.0
108.54551	0.7
119.02633	0.6
122.97596	4.7
125.02426	3.2
127.04043	1.0
134.97572	7.4
136.99136	2.2
148.99130	7.6
152.98624	7.5
164.98607	13.1
206.99661	3.4
225.00731	19.8
226.01027	0.8
235.16776	0.7
246.57639	0.6
277.21619	1.4
283.04938	1.6
287.75989	0.7
295.96719	0.6
296.00183	0.6
355.83707	0.7
429.81598	0.7
559.25610	0.9
619.39490	0.7
853.47681	89.9
854.47992	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	854.5549
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	0.8
63.68560	0.2
64.43130	0.1
64.59885	0.1
68.99571	0.8
71.01403	0.1
71.29065	0.3
78.95904	5.0
80.96545	0.3
96.96005	0.3
109.79619	0.2
112.98572	0.6
152.99571	0.5
168.04291	0.5
178.93649	0.1
194.05750	0.2
209.11913	0.2
224.06924	1.7
231.40881	0.2
241.14439	0.3
242.08086	0.5
255.23291	21.6
256.23618	1.2
277.21771	0.7
359.22253	100.0
360.22620	11.4
360.27298	0.3
409.23688	0.2
480.30927	29.8
481.31232	3.6
638.85968	0.2
675.85443	0.2
765.41333	0.2
795.47943	0.3
854.56793	0.8
855.55835	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.511
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.31922	0.2
74.45892	0.1
76.94254	0.1
80.96518	0.2
144.10875	0.1
167.26875	0.1
199.52173	0.1
200.84897	0.1
510.24564	0.1
577.07544	0.1
853.47986	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	92.5
60.99298	2.8
61.98806	1.3
67.01887	5.2
69.03448	3.0
71.01383	13.1
71.52324	2.3
73.02940	6.9
83.01379	2.7
83.04991	2.0
85.02953	7.9
87.00877	8.8
89.02447	1.6
93.03457	34.8
95.01373	2.4
96.96005	4.3
101.02429	11.0
108.02171	2.5
111.04519	7.8
113.02445	5.5
117.93542	1.4
121.02962	2.8
122.03733	1.7
124.01650	8.6
125.02409	6.8
126.03262	1.5
133.02922	5.5
134.03731	16.8
135.04520	100.0
136.04906	4.8
137.02444	2.9
150.03209	7.3
151.04016	12.8
161.02472	4.6
161.04536	4.5
162.03218	3.1
165.09230	13.4
166.08377	1.7
173.04507	12.0
177.05600	2.0
179.01907	1.8
179.03471	26.6
180.04082	3.1
191.05588	21.7
198.46873	1.7
207.10283	2.1
209.11548	1.4
257.08176	4.4
275.09174	2.7
290.07999	2.4
307.04913	1.9
307.08087	8.4
308.08954	20.7
315.18094	7.8
343.94760	1.5
351.07193	2.8
352.07962	58.6
353.08334	6.2
354.08499	3.0
357.19070	6.2
441.39877	1.7
449.14490	55.3
450.14685	7.9
709.87677	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	851.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.9
67.01878	0.2
69.19724	0.8
69.20159	0.8
71.01367	0.6
71.28362	0.1
73.02953	0.3
85.02966	0.2
85.39108	0.2
87.00877	0.2
87.82787	0.2
89.02452	0.2
93.03434	0.9
101.02425	0.4
113.02423	0.3
135.04535	0.3
148.05296	17.1
149.05611	0.9
173.04495	0.5
180.04276	16.0
180.79358	0.2
181.04637	0.6
188.08386	0.4
191.05586	1.9
192.05891	0.2
201.02220	0.1
203.10771	100.0
204.11090	6.6
207.20988	0.1
222.91652	0.2
313.16599	0.3
449.14713	0.6
450.14667	0.6
451.14899	0.5
499.15894	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	45.9
60.99304	4.6
64.43613	0.6
67.01892	13.4
69.03448	3.1
69.82061	3.9
71.01384	8.3
73.02939	1.4
74.11472	0.7
81.03448	2.0
83.01404	0.9
83.05019	1.5
85.02951	7.3
87.00871	16.9
89.02426	1.2
93.03458	83.7
94.03807	2.1
96.96004	1.1
99.00875	1.5
99.04494	1.4
101.02441	3.1
105.03207	0.7
109.02924	2.0
111.04523	10.7
113.02444	3.3
115.03990	1.1
119.40924	0.7
124.01656	0.8
125.02467	0.8
127.04009	1.6
129.01939	2.3
132.02151	2.6
133.02849	0.8
134.03725	8.9
135.04526	23.9
137.02441	1.8
143.03479	0.9
147.76659	0.9
148.05260	0.8
150.03188	1.2
151.03947	2.9
151.55046	0.7
154.24922	0.7
155.03496	2.4
160.01663	8.9
161.02380	2.2
162.03215	5.4
173.04538	36.4
174.04822	0.9
177.01886	0.9
178.02582	0.7
179.03453	5.3
191.05600	97.1
192.05943	3.3
203.10780	5.8
204.11148	0.8
213.09225	1.0
231.10197	0.8
257.08121	4.8
258.08575	0.9
275.09283	6.4
287.14044	1.5
307.08261	1.3
308.09055	4.5
313.16571	4.0
351.07040	5.0
352.07932	7.3
355.17456	1.9
449.14508	100.0
450.14862	13.2
464.63519	0.7
848.47131	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98541	0.3
62.99252	0.1
63.99249	0.2
69.91736	0.1
71.52865	0.2
80.96529	0.2
99.04544	0.2
105.30881	0.1
120.96618	0.1
127.96418	0.1
176.76849	0.1
187.83731	0.1
191.05615	0.2
198.49741	0.1
209.11877	0.1
222.41895	0.1
317.21167	0.2
378.79172	0.1
448.34909	0.2
730.68573	0.1
850.45197	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
60.85962	0.1
61.98829	100.0
62.98536	0.3
70.06960	0.4
70.07349	0.3
79.34148	0.1
80.96537	0.4
89.73589	0.2
94.98103	0.1
102.23151	0.1
137.46852	0.1
207.31599	0.1
346.73361	0.1
389.11691	0.2
432.66895	0.2
435.53961	0.2
851.47278	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
69.73296	1.7
71.01409	0.3
74.99084	0.7
79.95736	30.1
80.95736	0.3
80.96517	0.5
85.02940	1.5
87.00870	0.3
93.03457	1.2
96.96008	1.0
99.04517	0.9
109.02934	0.4
117.03446	0.3
125.55894	0.3
127.03956	0.4
133.02943	1.4
135.04541	5.4
161.02380	0.6
163.04002	49.3
164.04327	2.1
173.04546	0.6
175.03975	0.3
177.05515	0.4
178.06343	51.2
179.03455	1.2
179.06677	2.5
191.05612	10.7
192.05965	0.3
193.08687	47.4
194.09013	2.3
201.01987	0.3
215.05707	0.3
219.02974	0.5
258.02081	0.7
273.04373	100.0
274.04672	6.7
290.90604	0.4
293.93176	0.3
329.13879	1.1
330.14172	0.9
331.14413	0.3
351.07208	0.4
353.08707	0.9
355.86090	0.3
452.86023	0.3
499.16663	1.4
620.05389	0.3
764.71893	0.3
807.30878	0.4
851.23761	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.9
67.01878	0.2
69.19724	0.8
69.20159	0.8
71.01367	0.6
71.28362	0.1
73.02953	0.3
85.02966	0.2
85.39108	0.2
87.00877	0.2
87.82787	0.2
89.02452	0.2
93.03434	0.9
101.02425	0.4
113.02423	0.3
135.04535	0.3
148.05296	17.1
149.05611	0.9
173.04495	0.5
180.04276	16.0
180.79358	0.2
181.04637	0.6
188.08386	0.4
191.05586	1.9
192.05891	0.2
201.02220	0.1
203.10771	100.0
204.11090	6.6
207.20988	0.1
222.91652	0.2
313.16599	0.3
449.14713	0.6
450.14667	0.6
451.14899	0.5
499.15894	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	92.5
60.99298	2.8
61.98806	1.3
67.01887	5.2
69.03448	3.0
71.01383	13.1
71.52324	2.3
73.02940	6.9
83.01379	2.7
83.04991	2.0
85.02953	7.9
87.00877	8.8
89.02447	1.6
93.03457	34.8
95.01373	2.4
96.96005	4.3
101.02429	11.0
108.02171	2.5
111.04519	7.8
113.02445	5.5
117.93542	1.4
121.02962	2.8
122.03733	1.7
124.01650	8.6
125.02409	6.8
126.03262	1.5
133.02922	5.5
134.03731	16.8
135.04520	100.0
136.04906	4.8
137.02444	2.9
150.03209	7.3
151.04016	12.8
161.02472	4.6
161.04536	4.5
162.03218	3.1
165.09230	13.4
166.08377	1.7
173.04507	12.0
177.05600	2.0
179.01907	1.8
179.03471	26.6
180.04082	3.1
191.05588	21.7
198.46873	1.7
207.10283	2.1
209.11548	1.4
257.08176	4.4
275.09174	2.7
290.07999	2.4
307.04913	1.9
307.08087	8.4
308.08954	20.7
315.18094	7.8
343.94760	1.5
351.07193	2.8
352.07962	58.6
353.08334	6.2
354.08499	3.0
357.19070	6.2
441.39877	1.7
449.14490	55.3
450.14685	7.9
709.87677	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.7
67.59565	1.3
71.01367	4.7
71.52624	2.2
73.02945	1.9
79.95738	9.1
82.32683	1.1
83.01369	1.5
85.02975	2.4
89.02438	2.5
96.96011	5.2
101.02462	2.7
113.02472	2.9
119.05079	1.7
135.04501	1.7
141.44104	1.6
146.03687	1.6
153.43321	1.3
161.06110	1.5
163.03958	5.3
164.04800	94.8
165.05307	6.0
177.05615	1.7
179.07143	68.8
180.07426	3.1
191.05617	5.6
191.82082	1.2
200.14461	1.3
265.14447	1.8
333.06836	1.5
401.18127	5.7
421.08112	100.0
421.20416	3.8
422.08533	12.2
577.62048	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	45.9
60.99304	4.6
64.43613	0.6
67.01892	13.4
69.03448	3.1
69.82061	3.9
71.01384	8.3
73.02939	1.4
74.11472	0.7
81.03448	2.0
83.01404	0.9
83.05019	1.5
85.02951	7.3
87.00871	16.9
89.02426	1.2
93.03458	83.7
94.03807	2.1
96.96004	1.1
99.00875	1.5
99.04494	1.4
101.02441	3.1
105.03207	0.7
109.02924	2.0
111.04523	10.7
113.02444	3.3
115.03990	1.1
119.40924	0.7
124.01656	0.8
125.02467	0.8
127.04009	1.6
129.01939	2.3
132.02151	2.6
133.02849	0.8
134.03725	8.9
135.04526	23.9
137.02441	1.8
143.03479	0.9
147.76659	0.9
148.05260	0.8
150.03188	1.2
151.03947	2.9
151.55046	0.7
154.24922	0.7
155.03496	2.4
160.01663	8.9
161.02380	2.2
162.03215	5.4
173.04538	36.4
174.04822	0.9
177.01886	0.9
178.02582	0.7
179.03453	5.3
191.05600	97.1
192.05943	3.3
203.10780	5.8
204.11148	0.8
213.09225	1.0
231.10197	0.8
257.08121	4.8
258.08575	0.9
275.09283	6.4
287.14044	1.5
307.08261	1.3
308.09055	4.5
313.16571	4.0
351.07040	5.0
352.07932	7.3
355.17456	1.9
449.14508	100.0
450.14862	13.2
464.63519	0.7
848.47131	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
63.96239	2.5
64.52940	0.6
64.97036	0.6
69.03449	0.8
69.23657	0.5
71.01379	10.4
73.02949	2.2
78.98589	8.5
79.95736	19.9
79.96206	1.0
80.96516	100.0
81.03455	1.3
82.96094	1.5
85.02946	3.5
87.00872	3.7
94.98085	22.3
96.96027	1.7
96.97727	0.5
97.02937	2.1
101.02429	3.6
106.98070	3.9
122.97581	5.7
125.02441	3.7
127.03977	0.9
134.97606	6.7
136.99136	1.3
138.96956	0.6
146.97607	0.9
148.99142	7.9
152.98615	7.3
154.83041	0.5
158.49319	0.6
164.97189	0.7
164.98619	14.6
167.00177	0.7
206.99724	3.5
225.00739	20.7
226.01001	0.9
229.79753	0.5
255.23236	1.8
283.05020	0.9
330.43762	0.5
354.21063	0.6
537.27032	1.6
591.24683	1.8
847.48694	96.2
848.49072	27.9
848.65723	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
61.98830	5.5
63.96247	1.7
69.03450	0.8
71.01381	9.9
71.13978	1.3
73.02955	1.7
78.64304	0.6
78.98586	8.1
79.95732	21.2
79.96204	1.1
80.96513	100.0
81.03461	1.0
82.96112	1.3
85.02950	3.3
87.00880	3.4
94.24500	0.6
94.97482	1.3
94.98083	21.1
96.96016	1.6
97.02943	2.7
99.00893	1.1
101.02448	3.5
106.98095	3.9
115.11405	0.6
121.43260	0.6
122.97555	4.9
125.02475	3.2
127.04010	1.3
134.97575	6.9
136.99132	2.1
143.07555	0.7
148.99144	8.3
152.98642	7.7
160.55833	0.6
161.04552	0.6
164.98619	13.8
178.70952	0.6
188.98553	0.7
206.99666	3.3
225.00737	22.1
225.03017	1.2
226.01083	0.7
255.23248	2.4
283.04767	0.8
327.45795	0.7
339.19986	1.0
537.27179	1.8
591.24689	2.5
847.48669	98.1
848.49091	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.71827	0.1
69.18509	1.1
69.18915	0.3
72.26409	0.1
82.20753	0.1
98.19938	0.3
99.04510	0.7
130.97878	0.1
133.61795	0.1
135.26106	0.1
139.94283	0.1
187.07306	0.1
193.81886	0.1
247.09911	0.2
256.46371	0.1
275.09338	0.2
606.54083	0.1
820.25873	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98540	0.2
70.13429	0.1
70.52570	0.1
78.95882	0.1
80.29157	0.1
80.96535	0.5
98.20668	0.3
99.04514	2.9
100.04814	0.1
109.01787	0.1
116.99107	0.1
146.09746	0.1
161.09778	0.1
164.21165	0.1
179.62383	0.1
203.10883	0.2
231.10358	0.4
247.09729	0.6
259.09756	0.2
275.09348	0.3
277.10825	0.3
278.61624	0.1
331.19193	0.2
338.70389	0.1
368.20612	0.1
469.58420	0.1
475.20157	0.3
488.89218	0.2
848.45697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98539	0.2
71.01439	0.1
71.35955	0.2
80.96520	0.1
88.98820	0.2
93.03482	0.2
96.95984	0.2
99.04521	1.5
116.92886	0.1
157.06503	0.1
162.73315	0.1
231.10309	0.2
247.09824	0.4
275.09286	0.2
277.10867	0.2
441.78506	0.1
849.40436	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	19.6
71.01383	5.5
73.02942	4.8
79.95734	3.9
80.96500	2.1
87.00866	2.2
89.02466	2.1
89.66386	1.6
96.96013	21.6
101.02466	3.5
102.98587	10.8
106.58437	1.6
113.02493	1.9
116.54251	1.8
119.03524	1.8
119.49557	1.8
129.93871	1.8
132.15649	1.7
135.04558	2.0
137.02490	1.6
146.03746	4.5
150.03172	3.7
163.03995	2.9
164.04793	96.5
165.05321	7.2
179.07133	100.0
180.07448	6.1
191.05606	6.8
193.46104	1.9
195.06639	4.8
241.00154	13.2
271.16351	2.3
341.12436	3.1
386.80927	1.8
389.18741	2.6
421.08099	96.6
422.08530	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	847.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.6
61.98824	6.7
63.96234	2.2
68.48290	1.0
69.03461	1.7
71.01381	8.6
71.51434	1.1
73.02951	1.7
78.98586	6.9
79.95728	30.4
80.96513	100.0
82.96092	3.3
85.02953	3.3
87.00881	2.8
94.88352	1.1
94.98080	23.1
96.95992	2.2
97.02963	2.4
97.89292	1.0
101.02452	2.5
106.98065	3.5
122.97597	6.1
125.02392	3.5
134.97571	6.3
136.99132	2.5
148.99155	6.0
152.98604	7.1
164.98621	14.0
176.41702	1.2
188.56082	1.2
206.99654	3.5
225.00702	21.6
226.00897	1.5
255.23380	2.2
277.21930	1.4
278.33926	1.3
283.04794	2.6
291.19644	1.7
527.80872	1.2
537.27667	1.2
591.24597	1.9
678.26263	1.4
847.48688	94.5
848.48975	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	846.319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26549	0.1
60.99306	0.1
61.98830	100.0
62.98554	0.2
69.49308	0.9
88.98804	1.1
99.04518	0.8
109.22012	0.1
115.67331	0.1
122.48277	0.1
209.11806	0.1
227.07124	0.1
231.10370	0.1
245.08212	0.3
257.08258	0.2
274.56403	0.1
275.09430	0.4
296.76343	0.1
317.21246	0.2
393.06082	0.1
475.20297	0.1
542.65094	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.6
61.98829	100.0
64.99491	0.4
65.47221	0.4
71.01398	0.9
71.52850	0.5
75.00884	1.3
78.95879	0.4
79.95728	1.2
80.96526	4.1
85.02957	0.4
85.65025	0.6
88.98827	1.1
91.05560	0.6
94.98116	0.7
96.95998	0.6
97.02953	1.3
99.04519	50.6
100.04880	1.5
101.06088	1.1
105.07128	0.9
107.05024	0.5
109.02980	0.4
111.04546	1.1
112.02783	0.4
119.05061	0.6
121.06628	0.7
123.04510	2.4
133.06615	0.9
135.04584	0.5
137.06084	0.5
143.08727	0.4
145.06583	1.1
147.08234	0.5
149.06033	0.5
149.09753	0.8
157.06631	0.6
161.09731	2.4
163.07701	0.5
164.98651	0.6
171.10278	0.4
175.07599	0.8
185.09767	3.2
187.07730	0.5
191.05592	0.7
191.07179	0.6
193.08746	1.6
197.09795	0.7
203.10753	9.9
203.12445	0.7
204.11136	0.6
205.08737	1.5
215.10904	0.5
225.00774	1.0
229.08781	0.7
247.09750	15.7
248.10141	1.7
252.97083	0.4
259.09918	1.6
265.10751	3.2
277.10797	5.4
278.87558	0.5
279.12503	2.0
317.21375	2.0
317.78162	0.5
347.14960	1.2
349.73831	0.5
354.14655	0.5
432.25745	0.5
477.21548	1.4
495.20200	1.5
525.21136	0.5
587.07361	0.5
624.27319	0.5
804.42865	0.8
848.44495	4.3
865.73071	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.3
61.98826	7.4
69.03456	1.7
70.00414	3.7
70.36929	0.7
71.01381	12.9
73.02953	2.3
75.84246	0.8
76.84566	0.8
78.95885	1.8
80.96510	2.4
81.03545	0.8
83.01395	1.6
83.05000	0.8
85.02943	3.3
87.00879	3.3
88.98817	1.0
89.02453	10.1
95.01387	1.4
95.05043	2.2
97.02934	1.3
97.06588	16.4
98.06865	0.9
101.02455	8.4
111.04443	0.9
113.02432	3.7
119.03500	1.6
123.08186	9.3
125.02448	2.1
125.09721	97.5
126.10027	4.2
127.94339	0.9
143.10764	1.2
152.99541	2.5
161.04596	1.4
169.08676	2.6
179.05563	1.9
187.09752	67.5
188.10092	3.3
221.06561	4.1
225.00818	1.1
253.09241	0.8
277.21732	12.6
278.22043	2.0
331.22794	2.8
397.13647	1.8
567.22961	3.2
585.23944	6.6
586.23651	1.2
620.70197	1.1
761.12518	1.0
845.45331	100.0
846.45728	30.0
874.92773	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.8
61.98824	4.2
69.03461	1.7
71.01379	13.9
71.05024	0.6
72.95522	0.5
72.99308	1.2
73.02938	2.3
77.83519	0.5
79.04813	0.6
80.96515	0.7
83.01377	1.1
83.05032	1.3
85.02950	3.9
87.00894	3.6
88.30347	0.6
88.96591	0.5
89.02444	12.3
95.01370	0.9
95.05016	1.6
96.95959	0.8
97.02948	1.8
97.06590	12.7
99.00883	1.5
101.02436	10.0
104.63786	0.6
113.02455	4.5
116.92866	0.8
118.51585	0.5
119.03490	2.5
123.08170	7.4
125.02431	2.9
125.09721	65.3
126.10057	2.2
143.03467	1.2
161.04518	0.9
169.08656	1.6
187.09746	34.8
188.10019	1.5
221.06642	2.0
235.08301	1.6
277.21713	26.7
278.22104	2.8
346.19531	0.5
385.70233	0.6
397.13397	5.2
415.14355	1.3
567.22821	2.4
585.24194	2.2
712.97571	0.6
845.45361	100.0
846.45599	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	845.359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.8
60.99286	0.7
61.98829	22.0
65.03924	0.6
67.01894	1.5
69.03442	1.0
69.85253	0.5
71.01386	0.6
79.05525	0.6
79.27830	0.5
81.03436	1.1
83.05035	1.1
87.00851	0.5
88.98803	1.4
91.05544	1.0
91.58474	0.6
93.03390	0.6
93.07095	0.6
95.01375	0.8
97.02962	1.5
99.04518	100.0
100.04858	2.4
105.01903	0.6
105.07091	1.8
107.05067	1.0
109.02896	0.6
111.04510	0.7
114.14898	0.5
121.06608	1.7
123.04515	2.0
125.02456	0.6
133.06593	1.4
143.05025	1.7
144.05829	0.8
145.06558	1.9
147.04507	0.5
147.08176	1.5
149.06081	1.2
156.05803	0.7
157.06631	1.6
159.04536	0.6
159.08189	5.3
160.05229	0.7
161.06114	1.3
161.09760	3.4
163.07661	1.2
169.01341	0.8
169.06593	0.6
171.08177	2.8
173.06100	1.1
173.09753	0.9
175.07599	1.5
177.05583	0.7
181.06590	0.6
183.08206	1.3
185.06149	0.6
185.09676	2.7
186.06696	0.9
187.07596	1.9
188.08490	0.8
189.05534	0.7
195.08136	0.7
197.09706	0.8
198.06851	0.9
201.09163	4.6
203.07114	2.0
203.10760	11.6
204.11028	1.3
205.08705	0.7
213.09209	3.8
215.07088	1.3
215.10748	0.9
219.10249	1.2
229.08781	2.7
231.10220	7.9
231.12428	0.6
232.10667	0.9
245.08134	8.1
246.08347	0.6
247.09740	22.4
248.10043	2.6
257.08209	5.3
259.09750	2.2
263.09177	1.0
275.09210	7.7
275.12067	0.9
277.10794	7.6
279.12445	2.5
288.85117	0.6
293.10364	1.5
309.13437	0.8
347.14856	2.6
435.41498	0.6
475.19675	2.7
477.21429	0.8
479.20798	0.9
493.18686	0.8
523.19287	0.8
619.18530	0.5
623.24408	0.8
715.31207	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.4
60.99308	1.6
61.98828	30.3
63.39649	0.7
67.01859	1.0
68.22974	0.9
69.03427	1.0
71.01363	4.2
71.52809	1.1
72.99319	0.8
77.53782	0.7
80.97385	0.8
81.03432	1.0
85.02942	1.6
87.00893	1.4
88.98804	8.3
89.02437	3.1
90.94795	0.7
93.03471	1.3
95.58359	0.8
96.96012	1.4
97.02965	2.0
99.04517	100.0
100.04862	2.4
101.02457	2.5
105.07065	1.8
106.04368	0.9
107.05026	0.8
107.29865	0.8
109.02986	0.9
111.04509	0.9
116.92907	1.2
119.03471	0.8
119.04995	1.2
121.06592	2.0
123.04520	1.8
125.02480	1.1
133.06596	1.8
135.04538	1.4
137.05991	0.8
143.05054	1.5
145.06573	1.8
147.08200	0.9
149.06093	2.5
157.06589	2.2
159.08144	4.6
161.06023	1.6
161.09705	3.5
163.07661	1.3
169.06540	0.8
171.08128	2.7
171.10271	14.7
173.04477	0.8
173.06052	1.0
173.09738	0.9
175.07632	1.8
177.05649	1.4
183.08174	2.2
185.06021	1.4
185.09698	4.4
186.06747	0.9
187.07629	2.4
189.05544	1.2
191.05621	1.8
197.09735	1.5
198.06883	1.4
201.05576	1.1
201.09192	5.0
203.07138	2.8
203.10756	12.6
209.11792	2.6
213.09183	6.6
215.07028	1.6
215.10837	0.8
227.07106	1.1
229.08693	2.7
231.10249	8.2
232.10558	1.2
235.08258	1.3
235.17076	1.1
245.08134	8.5
246.08528	0.9
247.09726	25.3
248.10107	1.2
249.11111	1.0
257.08139	6.0
259.09668	2.0
275.09244	11.5
275.20135	2.8
276.09595	1.2
277.10754	8.2
279.12390	2.4
293.10172	1.7
293.21201	14.2
347.14886	2.5
397.13501	5.6
398.14059	0.9
415.14664	2.1
450.40222	0.8
475.19519	2.3
522.56384	0.9
569.24701	0.9
768.30084	1.0
773.95044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	18.3
65.21060	0.2
69.43112	0.7
69.43525	1.2
71.01379	2.8
72.99324	0.3
73.02949	1.2
78.69772	0.2
83.01414	0.4
85.02955	0.7
85.65527	0.2
87.00867	0.2
89.02454	1.5
92.32542	0.2
96.96022	0.7
99.00920	0.3
100.18391	0.3
101.02443	2.5
113.02455	1.7
119.03542	0.4
137.02454	0.8
145.02934	0.3
161.04532	0.6
163.03996	1.7
164.04788	100.0
165.05128	5.4
165.08287	0.3
179.07130	99.8
180.07471	5.9
191.05655	0.3
259.02814	0.4
309.63632	0.2
310.70425	0.3
313.16653	0.6
329.37518	0.2
331.17630	3.1
332.18057	0.5
373.18610	3.3
374.18750	0.6
383.13446	15.8
384.13828	2.1
398.12030	0.2
412.35849	0.3
629.66614	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	49.2
71.01382	13.0
71.53483	0.8
73.02943	3.9
79.95753	1.1
83.01392	2.1
85.02945	5.9
87.00887	1.1
89.02459	1.3
93.03429	1.6
95.01384	1.0
96.95998	2.1
99.00877	1.7
101.02444	9.2
111.00856	1.7
112.82937	0.5
113.02439	4.7
116.23294	0.6
137.02368	0.7
159.03047	0.9
161.04558	6.9
163.04050	2.0
164.04785	100.0
165.05142	5.3
169.12389	3.3
178.06354	1.3
179.07129	95.6
180.07469	5.0
191.05602	2.9
193.08629	1.5
203.05539	1.0
211.13469	0.6
273.04340	1.4
291.21500	0.7
313.16577	5.9
314.16785	0.9
331.17609	21.0
332.18082	2.0
343.92731	0.6
373.13876	1.2
373.18658	20.0
374.19183	1.5
375.83914	0.6
383.13425	15.3
384.13791	1.4
449.14539	0.6
689.36688	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.9
60.99313	5.2
61.98827	0.8
65.03960	1.4
66.91748	0.6
67.01894	13.2
69.03465	4.7
71.00590	1.0
71.00967	1.3
71.01383	6.5
73.02972	0.9
81.03463	2.8
83.05019	2.5
85.02949	2.8
87.00886	18.3
93.03461	100.0
94.03794	2.7
96.96025	3.8
99.00890	1.7
99.04533	3.1
101.02439	1.1
109.02916	1.3
111.04520	14.1
113.02440	1.9
120.00990	0.7
120.78708	0.7
121.45675	0.7
129.01936	2.4
132.02234	0.8
133.02965	1.7
134.03738	8.3
135.04543	10.9
137.02460	2.2
143.03497	0.7
151.03983	0.9
155.03523	3.2
160.01692	2.1
161.02441	0.9
162.03271	1.9
173.04549	45.0
174.04875	1.9
177.01947	1.7
178.02715	5.2
178.17870	0.7
179.03514	2.6
191.05614	24.1
213.09071	1.0
257.08215	2.2
275.09259	3.1
276.32495	0.8
308.08917	1.3
351.07251	1.3
352.07941	1.7
363.14517	1.5
422.23618	0.7
449.14536	77.3
450.14841	10.7
467.15573	44.3
468.15854	4.9
819.37469	0.9
851.06213	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.9
64.97016	0.6
69.41165	3.4
71.01380	0.6
79.95739	56.2
80.96516	4.4
89.02460	0.7
94.98101	0.9
95.95238	19.8
96.96012	100.0
110.97576	1.6
122.97589	15.9
135.04530	0.7
138.97102	0.7
141.94801	0.5
141.95766	3.0
146.03732	14.2
147.04289	0.7
149.06143	0.6
150.03305	0.6
161.06067	4.3
162.03085	0.6
163.03929	0.7
164.04802	11.4
165.05438	0.8
166.02660	0.7
177.05479	0.6
179.03535	4.9
179.07141	8.1
181.05106	1.2
191.05588	1.4
192.04343	1.4
194.05792	2.9
207.06613	1.5
242.04967	0.6
275.02374	0.9
304.02567	1.6
317.03162	1.5
455.10168	6.4
456.10416	1.1
456.31659	0.5
484.10474	0.7
501.10739	1.1
663.16089	5.8
843.23810	42.3
844.23962	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	843.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.2
63.14009	1.2
64.41598	1.2
69.94614	1.2
79.95738	49.2
80.96514	5.2
87.74450	1.0
89.17907	1.2
95.95238	17.9
96.96013	100.0
98.19759	1.9
110.97613	1.4
114.76873	1.1
122.97577	14.6
145.88350	1.1
146.03731	16.5
151.03906	1.1
161.06087	4.9
162.03267	2.8
163.03857	1.2
164.04793	10.9
166.02740	1.3
177.05495	2.1
179.03517	5.2
179.07152	10.3
191.05638	4.0
194.05830	3.4
207.06720	1.4
275.02274	2.6
314.41437	1.2
317.03516	1.5
455.10150	24.3
455.16211	2.4
456.10513	3.9
663.15533	6.2
765.41907	1.3
843.23676	34.7
844.24512	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	843.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	26.7
61.98824	50.9
63.44623	12.2
71.01380	24.8
71.51868	23.1
78.95906	22.3
84.69082	12.3
89.02439	18.3
101.02438	14.0
116.92841	47.1
116.99178	14.1
152.99553	15.4
171.10295	100.0
176.15631	14.6
207.10280	24.3
247.96779	15.1
255.23302	37.7
274.67999	14.4
277.21664	27.1
279.33359	17.2
358.76883	15.5
379.12747	18.0
397.13354	33.7
404.57770	13.5
843.44757	50.4
844.45050	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	839.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	11.4
61.98836	100.0
62.09138	10.6
64.78044	10.1
78.95897	27.0
80.96519	32.9
94.98114	12.4
98.20669	38.4
109.10550	10.2
152.99637	12.9
169.35057	13.1
225.00650	13.2
250.40414	11.9
274.99533	13.5
277.21704	36.1
278.22006	15.4
289.18066	17.7
301.21719	15.8
465.26187	12.6
541.07275	11.9
710.53949	13.6
839.46259	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.8
61.46053	0.6
61.98536	1.0
61.98829	13.8
62.98510	0.6
69.03447	1.5
69.84441	2.4
71.01378	6.6
73.02953	1.2
78.95889	0.7
81.13236	0.6
83.01410	1.0
85.02944	8.2
87.00869	2.7
89.02438	4.2
95.05036	0.7
96.96025	1.5
97.02962	1.2
97.06588	2.6
101.02439	5.3
105.77215	0.7
113.02428	3.6
116.92878	1.2
119.03468	1.0
125.09689	1.1
127.11295	1.1
137.09734	1.2
145.05148	1.1
145.06165	5.1
155.10748	1.0
161.04547	3.4
165.12895	0.7
171.10245	17.1
172.10663	0.6
179.05630	0.7
183.13921	5.3
185.11877	0.7
195.13881	5.5
196.14494	0.9
197.11781	0.7
205.12175	0.6
209.11829	1.4
211.13399	13.6
212.13728	1.1
221.11833	1.5
223.13367	3.3
229.14398	7.9
235.08240	7.8
235.17055	4.3
239.12944	1.7
251.16512	1.2
253.09283	35.8
254.09662	1.4
256.13107	1.3
275.20163	11.5
291.19550	4.1
292.20258	0.7
293.21225	100.0
294.21558	9.6
309.20691	6.9
310.20776	0.9
327.21750	80.9
328.22153	7.6
492.84653	0.8
529.30096	1.4
545.29608	1.9
563.30762	5.4
564.30750	1.1
603.42798	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	843.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.0
61.98810	0.5
64.20148	0.5
64.46859	0.4
64.97018	0.7
65.02080	0.5
71.01376	0.5
71.36013	0.4
78.15705	0.5
79.95737	63.2
80.96515	6.6
86.73154	0.4
93.03464	0.7
94.98109	1.3
95.95233	25.2
96.96012	100.0
98.19896	1.4
101.02414	0.9
109.96728	0.5
110.97590	1.9
113.02442	0.5
115.00158	0.4
122.97590	18.4
135.04532	1.2
138.97130	0.8
141.95792	2.5
145.02989	0.5
146.03735	20.0
147.04478	1.0
149.62148	0.5
150.03209	0.5
151.04051	0.9
161.02481	1.9
161.04753	0.7
161.06062	4.7
161.18326	0.5
162.03221	0.5
163.03995	1.0
164.03491	0.8
164.04799	11.4
165.05440	1.1
166.02708	1.9
173.04521	0.6
176.04739	1.3
176.08395	1.1
177.01889	0.9
178.65979	0.6
179.03490	9.0
179.07135	8.1
180.03877	0.6
180.07393	0.7
181.05016	1.1
191.05594	3.5
192.04245	0.9
192.05878	0.9
194.05846	7.9
195.06439	0.9
198.19669	0.5
207.06641	2.6
209.08212	1.8
229.14209	0.5
265.14420	1.3
289.00272	0.8
304.02591	1.1
307.65054	0.4
317.03262	1.4
329.15887	0.5
403.08868	0.8
484.10278	0.7
501.10706	2.0
532.97760	0.6
633.15247	1.0
663.16156	7.2
664.17096	0.8
681.18408	1.7
706.73450	0.5
843.23883	51.4
844.24176	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	837.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.2
61.98808	0.7
63.96242	2.2
69.56114	3.0
71.01382	10.2
73.02950	1.9
75.03159	0.4
78.95901	2.1
78.98595	8.8
79.95735	19.3
79.96209	1.0
80.96517	100.0
81.03461	1.1
85.02959	3.7
87.00870	3.3
94.98088	20.1
96.96011	1.6
97.02958	2.1
101.02441	3.1
106.98074	4.3
122.97579	3.9
125.02461	3.1
127.04002	0.6
134.97588	6.5
136.99150	1.6
146.97581	0.7
148.99135	6.9
152.98592	6.4
152.99590	0.7
164.97308	0.9
164.98634	12.0
197.14920	0.5
206.99725	2.7
225.00726	15.8
226.01009	0.8
277.21704	2.3
279.23468	0.9
283.04651	0.6
559.26166	3.2
560.26349	0.9
837.48260	86.1
838.48608	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	839.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	54.5
61.98825	0.8
69.31087	4.8
71.01383	3.4
72.11786	0.6
73.02953	1.2
79.95728	1.2
85.02946	1.6
96.96011	1.1
101.02425	0.9
103.26662	0.6
113.02435	0.9
137.02464	0.8
148.05299	61.4
149.05595	1.9
163.04010	3.9
163.07645	61.6
164.04788	96.3
164.07866	2.7
165.05087	4.6
178.06410	1.6
179.07127	100.0
180.07455	4.3
191.05544	1.3
193.08679	1.8
203.05609	3.5
227.12973	0.8
273.04309	2.2
383.13483	12.1
384.13727	1.1
404.96216	0.7
501.15485	0.8
823.26776	0.6
830.99976	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.3
61.98830	100.0
62.98531	0.2
63.99259	0.3
70.48272	0.6
71.01402	0.3
72.81233	0.2
79.95754	0.2
80.96529	0.6
81.66644	0.2
82.95405	0.2
85.02969	0.2
92.96201	0.2
96.96016	0.5
99.04543	0.9
169.01511	0.2
173.04536	0.2
193.08862	0.2
272.60593	0.2
319.82266	0.2
401.02005	0.2
476.40506	0.2
530.18591	0.2
590.23242	0.2
600.23663	0.2
836.35236	0.4
837.39691	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.62637	0.2
76.49316	0.1
80.96538	0.5
837.49060	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.8
61.98828	2.4
66.30112	0.8
68.99573	1.1
69.42644	5.4
72.59026	0.7
78.91935	0.6
78.95906	1.5
79.95731	1.0
80.96509	2.3
85.10332	0.6
86.79413	0.6
87.00880	0.8
99.04530	1.6
112.98592	1.0
129.09149	0.6
143.07193	1.0
145.81009	0.6
152.53185	0.7
154.31642	0.6
158.93311	0.6
173.46541	0.7
179.14032	0.7
195.69025	0.8
209.11653	1.0
225.00656	1.0
273.90192	0.7
277.21719	2.3
299.20047	1.7
399.25385	100.0
400.25677	12.1
837.47076	30.4
838.47546	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	837.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35611	0.5
63.96227	1.6
64.97009	0.7
65.03188	0.5
69.03440	0.6
71.01374	10.1
72.99280	0.9
73.02940	1.6
78.98589	8.2
79.95007	0.6
79.95728	18.1
80.96513	100.0
81.03431	0.7
85.02945	3.0
87.00845	3.7
94.98080	21.1
96.96010	2.1
97.02948	2.1
98.20685	1.2
99.00920	0.6
101.02424	2.7
106.98083	3.5
122.97599	4.5
125.02421	2.9
134.97581	6.9
136.99132	2.0
146.97572	0.7
148.99127	7.2
152.98628	7.3
153.67659	0.5
164.97328	1.0
164.98616	15.2
167.00119	0.8
206.99657	3.4
225.00725	17.4
229.18198	0.9
277.21664	1.3
278.21863	0.6
283.04977	0.9
559.25677	2.4
728.28931	0.7
837.48230	95.6
838.48553	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	835.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01703	1.4
63.09859	0.7
70.36286	2.5
71.01376	8.2
73.02951	3.0
83.01382	1.2
85.02956	5.4
89.02446	1.3
89.40935	0.6
93.03463	1.4
96.96012	1.3
99.00886	1.1
100.71834	0.8
101.02435	7.9
113.02422	3.4
120.99696	0.9
151.12772	0.7
159.03040	1.1
161.04588	5.1
191.05614	6.0
193.55113	0.7
196.55373	0.7
317.63934	0.7
331.17569	13.8
331.21185	0.9
332.18021	1.6
373.18671	24.2
374.19061	3.3
449.14484	1.2
504.32736	0.7
727.23438	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
61.98829	100.0
62.66503	0.1
62.98533	0.3
70.47943	0.3
70.48335	0.3
71.01389	0.4
78.95912	0.4
80.96534	0.2
82.95427	0.2
85.02986	0.1
96.96019	0.2
99.04527	0.2
113.06229	0.1
116.92883	0.3
128.04816	0.1
148.77673	0.1
179.87082	0.1
183.14003	0.1
191.05690	0.2
201.09286	0.1
207.10201	0.2
209.11847	0.3
211.13460	0.4
227.12907	0.2
248.14537	0.1
275.09482	0.2
319.22778	0.9
320.23111	0.2
388.45309	0.1
646.14996	0.1
834.37299	0.2
834.52429	0.2
835.39136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.3
61.98829	100.0
62.98542	0.1
69.31689	0.9
71.01380	0.3
78.95929	0.1
80.96514	0.3
87.00780	0.1
93.03465	0.1
96.96001	0.2
99.04519	0.4
107.34673	0.1
114.40718	0.1
129.69974	0.1
131.29951	0.1
145.19786	0.1
191.05673	0.2
335.35733	0.1
445.72360	0.1
835.38330	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.1
61.98829	100.0
62.98526	0.2
66.94900	0.2
71.01402	0.5
71.52522	0.3
75.47121	0.2
78.06075	0.2
78.95905	0.6
79.95710	0.3
80.96510	0.3
94.98100	0.3
96.96018	0.9
98.87114	0.2
173.04539	0.3
191.05632	1.2
255.23473	0.3
277.21658	0.4
279.23288	0.3
289.18097	0.5
478.84937	0.3
575.89856	0.3
834.52216	0.4
852.74298	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.5287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.2
61.55542	0.1
61.98828	7.6
69.24097	0.9
74.72530	0.1
78.95904	2.7
99.96523	0.1
111.23814	0.1
152.99564	0.7
163.87498	0.1
168.04283	0.3
224.06908	1.1
242.07961	0.3
271.20657	0.4
277.21719	9.9
278.22031	0.8
317.21182	100.0
318.21524	10.8
502.29367	18.3
503.29807	2.8
775.45709	0.3
822.84680	0.2
834.53180	0.7
835.53467	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.9
61.98828	25.8
70.23931	1.3
71.01376	11.6
71.53786	1.7
73.02949	2.7
80.69695	1.1
80.96513	4.6
82.26118	1.2
83.01395	2.1
85.02930	6.8
86.00076	2.2
87.00879	4.2
89.02435	1.8
94.98102	1.3
95.01421	1.1
96.95985	1.6
97.02943	1.2
101.02437	3.3
111.00896	1.3
113.02442	9.1
113.52118	1.2
116.92929	1.2
123.09842	1.1
125.02443	1.9
141.01697	3.5
166.99658	3.3
183.13930	2.1
186.03928	1.2
190.23149	1.3
191.05621	3.3
209.11905	5.8
219.06314	1.3
227.12917	1.7
299.20123	12.5
300.20361	1.9
315.19629	4.7
317.21185	18.3
318.21826	1.7
333.20706	1.8
337.17950	5.1
357.20450	15.4
358.20566	1.6
381.20410	3.0
389.47873	1.1
397.13443	1.5
399.21594	1.9
401.19400	5.1
461.25363	13.8
462.25842	1.6
479.26413	1.9
483.23785	5.4
501.24661	100.0
502.18439	1.9
502.25186	14.1
521.27600	7.3
522.27808	1.3
525.24487	1.5
538.97437	1.3
543.25708	64.3
544.26093	10.6
545.23755	17.9
546.24054	2.9
585.26868	4.0
587.24530	8.9
603.27686	4.4
674.26099	1.3
776.80499	1.5
835.39233	8.8
836.38910	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	833.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	16.7
59.16901	0.3
61.75497	0.2
61.98829	5.9
63.74084	0.3
67.85989	0.3
71.01374	1.3
73.02938	0.4
78.95899	1.2
79.95740	0.4
80.96519	0.7
85.02957	0.3
85.54190	0.3
89.02452	0.9
95.81229	0.2
96.96978	0.3
98.20687	0.4
101.02438	0.9
107.72640	0.3
113.02455	0.6
119.03471	0.3
122.97497	0.4
161.04543	0.4
165.05948	0.3
235.08165	1.4
241.01086	0.7
242.03206	0.3
253.09259	4.6
255.23352	0.6
277.21704	100.0
278.22040	10.0
279.23315	1.0
407.60413	0.3
513.30676	0.4
647.55072	0.3
833.52045	1.7
834.51544	0.6
859.52246	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	834.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
61.98829	100.0
62.98534	0.2
66.43612	0.2
67.87861	0.2
71.01382	0.2
78.91900	0.3
78.95913	0.5
79.95755	0.5
80.91667	0.3
80.96517	1.6
82.95445	0.2
85.02937	0.9
85.04536	0.2
87.00866	0.2
93.03461	0.3
94.98115	0.4
96.96007	0.3
99.04534	0.3
125.02419	0.2
148.99191	0.3
164.98634	0.3
191.05667	0.8
209.11913	0.2
225.00778	0.5
252.65306	0.2
275.09366	0.3
408.20444	0.2
627.49792	0.2
835.41406	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	834.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.3
61.98829	100.0
62.98547	0.2
64.79673	0.1
69.53259	0.8
71.01385	0.5
78.95920	0.5
79.95728	0.1
80.91713	0.1
80.96516	0.3
96.96032	0.4
99.04520	2.3
100.04810	0.1
103.71750	0.1
116.92880	0.1
134.03769	0.1
152.99559	0.1
159.08226	0.2
185.09886	0.1
187.07787	0.1
191.05647	0.4
193.08679	0.2
203.10825	0.1
207.21350	0.1
209.11792	0.2
211.13321	0.1
212.94675	0.1
227.12920	0.2
231.10260	0.3
245.08192	0.2
247.09808	0.5
252.74651	0.1
255.23198	0.2
265.10709	0.3
275.09296	0.5
277.10709	0.2
279.23264	0.2
393.15616	0.1
456.84409	0.1
465.51285	0.1
508.79208	0.1
566.54517	0.1
833.51031	0.1
834.31702	0.2
834.52332	0.3
835.37640	0.2
853.44092	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	832.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.5
61.98830	13.1
71.51865	0.5
71.52310	0.7
78.95911	1.7
80.96507	0.6
84.00497	0.4
88.98814	1.5
93.91103	0.4
94.98087	0.5
96.96000	0.9
99.04485	0.6
152.99596	0.7
168.04314	0.6
191.05591	0.6
213.07283	0.4
242.07924	0.6
255.23239	0.6
264.63052	0.4
277.21692	15.1
278.22000	1.6
279.23370	0.5
312.54510	0.5
315.19632	100.0
315.25549	3.5
316.19949	9.1
502.29428	13.6
503.29617	2.1
572.73590	0.5
657.78436	0.4
698.56763	0.5
701.18732	0.5
787.25616	0.5
832.50256	2.0
833.51666	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.6
69.56316	3.5
71.01376	1.8
78.95902	79.6
79.95731	4.4
80.96513	15.2
81.95194	0.5
85.02950	0.8
85.90028	0.5
94.98090	2.0
96.96960	18.9
103.25760	0.5
112.73936	0.5
116.92844	0.6
122.97582	2.0
124.95873	0.6
125.02405	0.6
134.97620	1.0
134.98497	1.1
136.99147	0.5
141.01830	0.8
148.98994	0.7
152.99588	20.9
155.94902	0.5
164.98586	1.3
191.48314	0.5
202.79584	0.5
223.00072	6.6
225.00664	1.9
241.01172	31.2
242.01524	1.3
255.23277	59.3
256.23608	4.9
259.02231	2.5
259.20538	0.6
275.20215	0.6
277.21698	33.6
278.22049	3.2
297.03784	2.4
315.04950	0.8
391.22525	8.0
392.22824	0.8
413.20892	1.3
553.19135	0.8
553.27643	6.0
554.27936	1.4
564.83765	0.7
570.14648	0.6
571.28912	0.9
813.48730	0.7
831.50128	100.0
832.50409	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	39.5
67.01859	0.7
69.50279	5.2
71.01385	8.3
73.02957	6.4
75.60685	0.7
77.23072	0.7
79.95738	4.1
83.01383	1.8
85.02940	2.4
87.00859	1.0
89.02416	2.4
93.03435	2.7
95.01393	1.0
96.95996	1.6
99.00860	1.1
101.02443	7.7
113.02427	3.2
119.03504	1.0
130.11710	0.8
131.69254	0.8
133.02908	0.9
135.04541	1.6
148.05252	1.0
161.04486	1.4
163.04034	6.1
163.07690	0.9
164.04703	1.0
173.04402	0.7
178.06358	6.6
179.06996	0.7
191.05641	3.5
193.08710	7.6
197.42569	0.7
209.03366	0.7
251.13667	0.7
273.04355	14.4
274.04761	0.7
317.21106	5.3
318.21582	1.1
335.22272	13.7
336.22583	1.2
383.62738	0.7
419.24664	0.9
479.19843	1.4
479.26456	20.2
480.26721	3.0
491.85849	0.7
497.27539	21.0
498.27722	3.3
521.27533	2.4
539.28589	100.0
540.28955	18.8
559.59216	0.8
581.29669	6.0
582.29578	1.0
799.30432	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	829.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68182	1.7
59.01375	4.9
60.75327	1.6
61.98829	100.0
64.59148	1.6
65.03947	2.9
67.01888	4.0
67.17500	1.7
69.41743	5.5
69.42162	8.3
71.01379	2.3
72.69161	1.7
78.95912	4.5
80.96516	7.4
83.01392	2.2
93.03444	3.5
95.01389	28.3
95.05033	1.8
97.09238	1.7
98.19904	2.8
99.04527	2.2
107.05050	5.4
111.04520	3.6
121.06621	3.3
125.02444	4.4
135.04543	6.2
136.87103	2.0
137.02528	2.1
147.04419	2.7
149.06053	4.4
149.09738	2.5
152.99608	2.6
157.06587	2.6
161.06062	2.6
171.08142	4.3
173.06026	3.1
173.09770	3.1
175.03778	2.0
175.07593	4.4
177.05565	2.1
179.03493	3.1
183.08144	4.6
185.06076	2.4
201.05562	2.0
201.09219	8.1
203.07201	2.1
227.10814	5.0
229.08722	6.4
245.08128	2.8
271.09900	3.4
289.10831	3.2
333.09650	2.4
417.11816	3.4
418.45071	1.8
437.32681	5.4
461.03827	1.8
485.90518	2.1
491.33691	9.8
530.09296	1.9
667.42206	5.3
669.39929	3.3
685.43414	7.4
686.44208	2.4
729.42169	86.9
730.42450	25.6
829.45514	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	829.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.9
60.99294	1.7
61.98825	5.0
65.03956	2.1
66.74908	0.8
67.01896	1.7
68.99801	0.9
69.03460	1.5
69.15096	0.7
70.28197	1.7
70.28591	1.5
71.01380	8.4
73.02960	0.8
75.46804	0.8
79.05528	1.0
79.95731	0.8
81.03447	8.3
83.01377	3.5
83.05029	7.3
85.02938	3.4
87.00871	3.7
88.98803	8.0
89.02434	6.6
91.05516	1.2
93.03461	1.6
95.01358	1.3
95.05009	2.1
97.02943	2.5
99.04520	35.5
100.04843	0.8
101.02458	5.2
105.07094	2.4
107.05000	3.4
109.02947	1.8
109.06593	5.9
111.04507	2.3
113.02435	3.1
115.05454	0.9
119.03461	1.4
119.05045	1.5
121.06613	1.5
123.04521	1.5
125.02435	17.8
125.06084	1.6
127.11318	1.0
130.04199	0.9
131.05020	1.7
131.08647	0.7
133.06616	4.3
135.04488	3.4
135.08218	0.7
137.02446	1.1
137.06013	0.7
143.03410	1.5
143.05023	1.7
145.06607	0.9
147.04568	1.3
147.08179	1.8
149.06064	2.6
151.07616	3.1
155.08676	1.2
157.06598	1.5
159.08127	2.4
161.04535	1.5
161.06027	2.5
163.03918	1.1
163.07571	1.1
171.08037	2.2
171.10262	48.2
172.10652	1.9
173.06068	1.1
175.03984	0.9
175.07658	0.9
179.05556	0.9
180.04297	0.9
181.04990	1.1
181.06552	0.9
183.08115	5.5
184.08904	0.7
185.06102	2.4
185.09732	1.0
189.05550	1.3
189.09134	0.9
191.07120	0.9
195.08170	1.2
197.05963	1.3
197.09660	1.5
199.07718	0.8
199.11263	2.8
201.09230	2.2
207.08073	1.1
209.06004	1.1
209.09882	1.0
211.11224	1.2
213.09258	1.2
217.07024	0.9
223.11206	1.7
225.09213	4.8
227.07028	1.1
235.08185	2.9
237.09154	2.3
239.10730	1.3
241.12285	2.2
243.10274	2.5
253.08961	1.2
253.12361	2.0
255.10225	1.7
277.21716	27.3
278.22031	2.6
283.13318	0.9
295.13272	1.1
305.08731	1.5
327.12433	1.0
332.25037	0.7
334.92523	0.8
365.61859	0.8
379.12173	4.3
397.13483	15.5
398.13803	1.9
407.02139	0.8
415.14429	4.0
453.32297	2.2
500.19302	0.9
501.17645	0.8
551.23175	1.1
674.51501	0.9
725.85956	0.7
729.41821	6.2
730.42371	1.2
829.47437	100.0
830.47638	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	1.1
59.01377	19.0
60.01737	0.3
60.99306	0.4
61.98822	1.1
67.01880	0.3
69.03458	1.5
69.93662	1.2
71.01380	18.0
72.99300	1.5
73.02950	2.9
75.00869	0.5
77.05961	0.2
81.03437	1.7
83.01386	2.3
83.05025	0.5
85.02950	5.0
87.00874	4.6
87.01388	0.4
87.04501	0.4
88.98796	2.1
89.02441	15.6
91.03990	0.3
93.03471	0.5
95.01374	1.6
97.02950	3.6
98.19940	0.3
99.00890	1.0
99.04533	0.9
99.08125	0.3
101.02440	14.1
102.02796	0.3
109.02957	0.5
111.00930	0.4
111.04514	0.6
113.02448	8.3
115.04027	0.4
119.03502	3.5
121.02921	0.5
123.00860	0.4
123.04517	0.6
123.08082	0.3
124.01707	0.3
125.01525	0.5
125.02441	9.6
125.09713	1.3
125.44012	0.2
127.03975	0.3
127.11281	2.1
131.03479	0.7
133.05113	0.3
137.02486	0.4
139.04008	0.8
141.01929	0.3
143.03500	2.3
145.04988	0.3
149.02391	0.4
149.29607	0.2
153.09203	0.6
161.04581	3.5
167.03490	0.5
168.29344	0.2
169.05080	0.3
171.10272	100.0
172.10623	4.1
176.25636	0.2
179.03435	0.3
179.05620	3.4
183.90219	0.2
185.11887	0.3
195.78401	0.3
199.06177	0.5
201.09218	0.3
203.05565	0.4
213.11258	0.5
217.07120	1.3
221.06702	1.2
235.08205	5.9
236.08607	0.5
245.06584	0.4
253.09312	0.9
259.08261	0.6
263.07492	0.3
264.05139	0.3
277.21701	61.3
278.22052	6.2
278.24948	0.5
281.02560	0.2
287.07779	2.0
291.23230	0.7
301.09128	0.3
305.08795	2.2
323.09909	0.7
361.11285	0.4
379.12421	9.0
380.12912	0.5
397.13480	35.1
398.13693	2.5
415.14551	8.0
416.14948	0.4
453.32233	1.3
551.23199	0.8
569.24701	0.7
675.35944	0.5
729.42615	0.6
829.47076	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	0.9
59.01379	15.8
59.40254	0.2
60.99316	0.5
61.98828	1.6
64.73151	0.2
68.99822	0.3
69.03457	1.2
69.69404	0.5
69.69835	0.8
71.01380	16.2
72.01738	0.3
72.99307	1.9
73.02950	2.7
75.00891	0.4
78.95967	0.3
80.96497	0.3
81.03461	1.5
82.20506	0.2
83.01378	2.1
83.05021	0.4
85.02950	4.2
86.00092	0.2
87.00875	4.8
87.04507	0.3
88.98810	2.1
89.02442	14.1
90.30089	0.2
91.04016	0.2
93.03465	0.4
94.30903	0.2
95.01402	1.3
95.05016	0.2
97.02946	3.2
99.00874	1.4
99.04502	1.1
101.02441	12.9
102.02804	0.5
109.02949	0.5
111.00840	0.3
111.04529	0.7
113.02454	8.8
113.03255	0.4
115.04015	0.3
119.03483	3.4
121.02986	0.3
123.08125	0.3
124.01669	0.3
125.02448	8.8
125.09726	0.9
126.02832	0.3
127.04029	0.4
127.07626	0.3
127.11285	2.5
131.03471	0.8
133.05063	0.6
137.02475	0.3
139.04028	0.5
141.01913	0.2
143.03502	2.8
145.05072	0.3
149.04558	0.3
152.99554	0.2
153.09248	0.6
161.04568	4.2
167.03514	0.6
167.61646	0.2
171.10265	100.0
172.10608	4.6
179.05623	3.2
181.05040	0.3
185.11833	0.5
197.04585	0.3
199.06107	0.6
203.05519	0.3
209.11804	0.4
213.11331	0.7
217.06999	1.0
221.06633	1.5
227.05565	0.2
233.22765	0.3
235.08220	6.1
236.08551	0.2
245.06583	0.4
253.09279	1.0
259.08170	0.8
263.07877	0.4
266.37244	0.2
277.21701	55.8
278.22037	5.5
280.40997	0.2
287.07672	2.5
291.23349	0.4
301.09052	0.3
305.08783	1.8
323.09857	0.9
361.11569	0.3
374.17508	0.2
379.12433	8.5
380.12805	0.8
397.13474	33.7
398.13763	2.7
405.73340	0.2
415.14551	7.8
416.14944	0.6
453.31522	0.2
454.32642	0.3
492.05289	0.2
551.23529	1.0
552.23755	0.2
569.24280	1.2
631.22552	0.2
675.37091	0.4
794.38818	0.3
829.47693	1.9
830.47992	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.0
60.99281	0.3
61.98829	7.7
71.01382	0.8
71.52108	0.3
71.52541	0.5
72.00908	18.4
74.02472	17.6
78.95886	0.4
80.96497	0.5
85.02940	0.3
86.29117	0.3
88.04043	1.1
88.98801	0.9
89.02439	0.8
97.02892	0.3
99.04547	1.6
101.02431	0.8
102.05614	0.7
104.03537	100.0
105.03268	0.3
105.03881	1.5
113.02480	0.6
116.38297	0.2
125.02473	0.6
149.62343	0.3
171.10251	4.9
191.05573	0.8
206.27429	0.3
207.10210	0.6
209.11812	4.8
210.12096	0.4
219.68280	0.3
225.11322	0.7
227.12877	0.9
235.08205	0.4
247.09756	0.4
253.09367	0.5
259.10056	0.3
263.64072	0.3
277.11099	0.5
277.21719	6.9
278.22018	0.4
279.23291	0.5
308.51678	0.3
311.22473	0.9
313.35205	0.3
313.38843	0.3
317.21268	0.5
347.36359	0.3
379.12448	0.7
397.13312	1.5
445.21063	0.4
450.43668	0.4
502.29669	0.4
739.42883	0.5
828.47662	1.4
829.48956	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.0
61.03878	0.2
61.98829	18.8
65.69031	0.2
71.01373	1.2
71.52544	0.3
72.00909	18.5
73.01212	0.3
73.02943	0.3
74.02473	16.7
75.02782	0.3
85.02918	0.3
87.00896	0.4
88.04037	0.9
88.98792	0.5
89.02441	0.8
96.96033	0.3
97.02991	0.2
99.04520	0.4
101.02450	0.7
102.05624	0.3
104.03536	100.0
104.20807	0.2
105.03249	0.3
105.03862	1.4
113.02431	0.5
116.92875	0.4
122.44092	0.2
125.02449	0.4
131.20944	0.2
171.10265	4.6
184.11224	0.2
191.05615	0.5
196.50752	0.2
207.10352	0.4
209.11815	2.8
210.12170	0.3
227.12857	0.6
232.33328	0.2
235.08174	0.5
253.09288	0.4
256.04224	0.2
277.21704	8.1
278.22214	0.6
278.38312	0.2
279.23328	0.5
293.84622	0.2
379.12515	0.5
396.69250	0.2
397.13507	1.7
415.14609	0.4
449.54343	0.2
580.10919	0.2
701.36432	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90036	0.7
59.01378	6.4
61.98833	11.3
67.09692	0.6
70.87667	0.7
71.01359	3.5
71.22816	1.4
81.03464	0.7
85.02937	1.3
87.00887	0.8
88.98820	1.2
89.02435	2.3
97.02962	2.2
99.04517	100.0
100.04840	2.4
101.02434	2.4
104.03545	3.5
105.07140	0.9
112.98605	0.7
113.02428	1.4
116.92893	1.1
121.06585	1.1
122.97545	0.8
123.04499	1.8
125.02431	1.4
133.06592	1.0
145.06621	1.5
157.06520	2.1
161.04565	0.7
161.09717	3.0
163.07605	1.2
171.10249	19.5
173.09674	1.0
179.05684	0.7
185.09720	2.6
187.07634	0.9
191.05600	1.3
197.09695	2.7
203.10780	12.2
204.11102	0.7
215.10750	3.3
223.07477	0.7
229.08704	3.0
241.08720	1.4
247.09740	20.8
248.10143	0.8
259.09766	6.7
277.10803	12.6
277.21722	12.2
278.11252	0.8
278.22122	1.6
284.30615	0.8
361.54163	0.7
377.16061	1.2
379.12347	1.3
391.16821	0.7
397.13516	6.9
415.14447	1.6
458.70724	0.9
735.91052	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.0
60.99306	5.1
65.03963	0.6
67.01893	14.4
69.03458	3.6
69.27814	3.2
71.01385	4.2
73.02930	0.5
81.03461	2.4
83.05031	1.4
85.02940	1.3
87.00340	0.7
87.00879	16.7
93.03461	94.2
94.03793	2.8
96.79228	0.4
99.00885	1.5
99.04508	2.2
101.02431	0.5
105.03485	1.1
109.02924	1.0
111.04523	12.9
112.04863	0.9
113.02453	1.3
115.04022	1.0
129.01956	2.0
133.02957	3.3
134.03761	5.3
135.04538	4.8
137.02420	0.4
143.03503	1.3
155.03508	3.1
158.50858	0.4
160.01646	1.0
162.03226	0.9
173.04550	45.1
174.04895	1.4
177.02008	0.5
178.02536	0.4
179.03520	0.7
191.05629	9.3
231.10243	4.6
247.03014	0.4
257.08167	0.5
275.09238	6.4
276.09256	0.4
308.09042	0.5
352.07938	1.1
449.14526	100.0
450.14871	13.9
450.20013	0.3
492.33151	0.4
596.05884	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.4
60.99306	4.9
64.69348	0.5
67.01891	13.4
68.32893	0.5
69.03455	4.9
70.97495	0.5
71.01382	5.9
71.03490	0.7
71.03822	0.8
71.32483	0.5
73.02952	1.3
81.03456	2.4
83.05022	1.9
85.02957	0.8
87.00333	1.0
87.00873	18.3
93.03458	100.0
94.03777	3.7
99.00885	1.5
99.04514	2.3
104.13376	0.5
104.36859	0.5
109.02948	0.8
111.04520	14.2
112.04820	0.6
113.02454	1.5
115.03996	0.8
127.04102	0.6
129.01959	2.1
134.03746	7.9
135.04552	5.5
143.03453	1.4
154.19676	0.5
155.03517	3.1
161.02426	2.4
162.03226	7.0
173.04539	36.9
174.04858	1.7
179.03542	1.3
191.05571	3.6
234.53851	0.6
235.27971	0.5
256.58530	0.6
275.09213	5.8
308.08984	1.0
335.53098	0.5
351.07150	1.6
352.07916	2.0
449.14517	98.4
450.14795	12.6
616.35962	0.6
620.60590	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.459
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66779	1.1
60.24160	1.1
61.98832	11.3
65.00311	5.1
65.03941	4.4
67.01885	4.2
68.99796	3.9
70.13250	1.0
70.82072	1.8
70.82396	2.1
71.01321	1.5
78.95893	1.8
80.96497	1.9
81.03011	1.4
81.03462	19.1
83.01369	5.5
83.05022	16.5
85.02951	18.5
91.05517	2.1
93.03451	6.8
95.01385	1.6
95.04984	2.1
97.02940	1.7
97.74979	1.1
99.04518	35.7
103.36019	1.2
103.89223	1.2
105.07086	3.4
105.93633	1.2
107.05030	4.5
108.02126	1.3
109.02954	8.3
109.06570	2.8
111.04507	3.0
119.05025	2.4
121.02936	1.4
121.06561	2.5
123.04524	3.4
125.02448	43.4
125.06035	1.8
126.02704	1.2
133.02950	1.5
133.06593	2.5
135.04541	4.1
137.02428	5.0
137.05997	2.3
140.89822	1.3
143.56197	1.1
147.04494	1.6
147.08125	3.2
149.06099	2.9
150.68486	1.3
151.03986	2.1
152.99561	1.4
153.01906	5.9
157.06555	2.1
159.08134	2.8
161.06088	3.5
165.01927	2.3
173.06044	1.7
183.08116	5.2
185.06070	1.8
195.08189	1.3
199.11258	1.9
201.09149	3.0
203.07137	2.0
209.06128	1.2
209.09799	1.3
211.06049	7.0
211.11192	2.0
213.09290	2.3
217.67747	1.2
223.07533	1.4
223.11119	1.8
225.09157	4.4
235.11218	1.2
237.09230	1.7
241.12308	2.4
243.10291	2.1
248.95979	1.2
253.12332	1.1
255.75867	1.1
267.10147	2.3
283.13306	1.4
325.27475	4.3
326.27533	1.2
389.30334	1.6
433.29553	2.6
451.30725	17.2
451.36514	2.3
452.31033	2.8
501.17245	2.7
529.17047	6.0
587.20959	4.9
727.40436	7.8
728.40942	1.6
809.44843	4.8
810.44818	1.6
816.92322	1.3
827.45850	100.0
828.46277	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	1.1
59.01379	68.4
60.01709	1.3
61.35615	0.6
62.89293	0.6
69.03454	2.7
70.11752	2.9
71.01379	42.8
72.99313	2.5
73.02945	73.9
74.03265	1.6
78.02885	0.8
81.03460	1.9
81.07099	3.4
83.01383	16.1
83.05028	1.1
84.06013	0.7
85.02951	6.5
87.00890	1.1
93.03475	1.0
96.95977	0.9
97.02950	3.5
98.20615	0.8
99.00892	1.7
99.04510	1.3
100.54618	0.9
101.02440	40.5
111.00941	0.8
111.04504	1.1
113.02451	9.8
125.02447	8.8
127.04063	0.8
131.03455	1.6
135.04507	3.0
143.03493	7.8
145.10248	0.9
147.51558	0.8
151.11288	2.9
155.03496	5.8
159.10284	1.0
161.04523	3.7
161.09564	0.8
163.11282	2.2
165.09201	100.0
166.09528	6.1
177.09279	0.7
179.10741	7.1
189.09221	1.2
191.05603	2.1
203.05603	9.5
207.10246	19.0
208.10559	1.2
237.11301	2.9
309.13596	1.0
352.07980	1.9
369.15860	0.8
449.14493	1.7
466.10297	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.1
60.90836	0.3
60.99305	5.0
65.03949	0.8
67.01891	14.2
67.27291	0.3
69.03458	3.8
70.44305	0.7
71.01384	4.9
71.05008	0.4
73.02950	0.4
74.73428	0.3
81.03471	3.0
83.05046	2.2
85.02964	1.1
87.00877	17.8
88.01218	0.3
93.03458	100.0
94.03798	2.9
96.96017	0.3
97.02966	0.3
99.00896	1.9
99.04508	1.6
101.02445	0.5
109.02947	1.0
111.04517	12.5
112.04877	0.6
113.02448	1.8
115.04001	1.0
117.05385	0.4
117.12385	0.3
124.01672	0.5
129.01942	1.5
134.03746	9.2
135.04544	5.6
137.02428	1.1
143.03510	0.9
145.02931	0.5
149.02516	0.5
150.03224	0.4
151.04018	1.0
155.03482	2.9
160.01637	0.3
161.02431	2.3
162.03214	6.7
163.03607	0.5
173.04543	46.8
174.04893	1.9
179.03491	1.0
191.05591	3.0
256.50113	0.3
257.08231	0.5
275.09219	5.5
276.09430	0.4
307.08292	0.4
308.08865	1.6
311.46210	0.3
351.07022	1.8
352.07959	2.4
397.18350	0.4
449.14514	96.9
450.14856	14.2
450.19971	0.2
727.35547	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98835	9.2
66.09405	1.1
66.74065	1.1
69.03431	2.2
70.38187	2.4
71.01377	30.0
72.99313	1.8
73.02946	7.1
78.06622	1.1
83.01376	5.5
85.02953	19.7
87.00868	3.5
89.02439	6.1
93.03450	3.1
95.01371	3.4
96.95989	3.3
97.02932	3.9
99.00883	4.0
101.02439	16.2
111.00885	1.7
112.01646	1.2
113.02451	18.4
113.42500	1.4
115.04034	1.3
116.92809	3.2
119.03491	2.9
124.01649	3.6
124.13400	1.2
125.02457	14.1
129.54552	1.1
135.04681	1.4
143.03505	4.6
161.04544	2.4
173.04471	1.6
191.05539	6.0
241.37703	1.3
289.98294	1.3
328.46609	1.4
329.30426	2.4
391.82697	1.4
473.35004	6.6
491.35724	3.7
581.36218	1.3
599.38324	2.1
617.38989	26.4
618.39343	4.9
635.40076	61.1
636.40283	12.5
653.41034	17.3
654.41425	3.9
677.40979	15.2
678.41315	4.0
695.42139	23.0
696.42450	5.7
737.43066	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	825.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98813	100.0
71.40299	31.2
73.73307	23.1
112.23638	25.4
118.76125	29.6
125.83014	25.9
190.01176	26.7
241.53708	27.9
277.21744	73.5
293.21408	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.7
61.98827	20.8
71.01379	2.5
71.52384	0.7
71.52753	0.8
72.99311	0.9
73.02958	1.0
83.05027	2.5
84.02105	0.7
84.04545	3.6
85.02937	1.7
87.00863	1.4
88.98801	2.7
89.02451	2.2
96.96013	0.7
101.02434	3.2
102.05608	69.4
103.05927	1.4
113.02429	1.1
119.03486	0.6
125.06002	0.6
125.09671	0.7
161.04582	1.3
162.76651	0.6
163.11261	1.4
164.10773	1.7
165.12862	1.7
184.66089	0.6
191.05630	1.3
191.10767	0.9
197.11983	0.9
209.11818	78.3
210.12175	4.9
227.12865	15.6
228.13318	0.9
233.22679	0.8
235.08223	7.3
236.08488	0.9
253.09282	9.2
254.09622	0.9
268.15491	0.9
277.21707	100.0
278.22037	9.8
319.83051	0.7
337.35825	0.6
408.12253	0.8
427.19357	0.7
445.20734	2.7
513.30640	2.9
514.31238	1.0
661.71759	0.7
782.47198	4.1
783.46698	0.8
826.49707	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.3
59.31044	0.2
61.53658	0.2
61.98825	1.2
69.53738	1.1
69.54143	0.5
74.68488	0.3
79.95734	7.6
81.34066	0.2
85.02943	0.3
91.84460	0.2
92.78991	0.2
93.03503	0.3
96.96010	100.0
97.95941	0.4
109.38275	0.2
109.39021	0.2
110.97564	1.0
150.03177	0.2
165.05563	0.2
166.02748	1.0
170.42062	0.2
177.05560	0.4
181.05074	2.0
191.05600	2.4
267.03094	0.4
283.06061	0.2
296.06729	0.3
298.08325	0.3
300.09918	0.3
309.07404	0.3
311.05563	1.7
311.09238	0.6
326.07922	4.8
327.08319	0.7
341.10266	4.8
342.10730	0.5
353.08774	0.4
355.11743	0.3
356.12625	7.9
357.12967	1.0
466.09323	0.5
467.10123	0.4
479.10074	0.3
663.17230	1.0
664.18042	0.3
825.22797	22.9
826.23077	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	825.228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
61.98811	0.3
69.71806	0.5
69.72170	1.5
71.01385	0.3
79.95735	6.7
85.02977	0.3
90.57260	0.3
96.96012	100.0
97.95954	0.3
110.97586	0.9
149.06065	0.6
158.02290	0.3
166.02666	0.8
177.05617	0.4
181.03703	0.4
181.05023	2.0
191.05630	0.8
196.29022	0.3
248.14186	0.6
249.14934	2.3
250.15376	1.1
251.15544	0.3
283.06204	0.3
296.06677	0.3
311.05627	1.3
311.09314	0.7
312.05780	0.3
326.07977	4.3
327.08334	0.7
327.12091	0.3
341.10257	4.8
342.10635	0.6
356.12592	8.7
357.12991	1.1
451.07196	0.3
466.09094	1.0
467.10172	0.3
479.10364	0.4
663.17657	1.2
825.22784	25.8
826.22925	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	823.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.4
66.74297	0.2
70.20174	0.7
70.20518	0.3
71.01408	0.3
78.85445	0.2
83.01402	0.2
85.02943	0.2
93.03465	0.6
105.03516	0.3
121.02950	0.8
122.03794	0.3
133.02927	0.7
135.04535	0.5
144.83742	0.2
147.04488	1.1
148.05298	100.0
149.05620	3.8
163.07643	91.3
164.07979	4.5
173.04492	0.3
177.01987	0.2
191.05658	0.8
215.05602	0.5
314.50891	0.3
315.39276	0.2
351.07220	1.4
367.13998	0.8
412.84409	0.2
527.81274	0.2
639.30316	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81825	1.1
58.00593	1.1
59.01377	100.0
60.01704	1.6
62.42161	0.9
64.96581	1.0
69.03452	1.4
71.01380	38.2
71.01779	2.1
71.52071	1.2
71.52477	1.4
72.99294	1.5
73.02946	57.7
74.03275	1.0
75.00867	1.4
79.86991	1.0
83.01389	15.6
83.10744	0.9
85.02936	3.7
87.00875	1.8
89.02443	10.8
93.03502	1.3
95.01370	1.5
96.96002	4.2
101.02438	49.9
113.02437	15.2
114.24455	1.0
119.03481	4.9
119.05001	1.0
125.02488	1.4
126.32014	1.1
131.03522	6.2
142.60455	1.0
143.03494	5.2
149.04564	15.3
155.03461	2.1
161.04552	27.2
163.04045	1.7
165.05521	0.9
173.04643	1.0
191.05556	2.4
203.05602	2.6
205.93158	0.9
221.06679	12.9
262.94009	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98825	46.2
69.47717	14.8
71.01008	3.0
71.01379	39.0
73.02950	13.6
83.01402	9.1
85.02950	23.5
87.00866	4.5
89.02445	9.3
93.03475	3.9
95.01402	4.8
96.96007	8.6
97.02939	3.6
99.00866	4.5
101.02429	25.8
113.02444	23.6
116.92886	10.4
119.03468	4.0
124.01611	4.3
125.02441	8.5
130.58237	2.0
135.04550	2.5
143.03493	6.8
149.06027	2.7
161.04538	7.9
173.04506	2.3
191.05618	7.2
220.46318	2.1
471.33371	15.6
472.33694	3.0
489.34357	6.1
597.35773	3.6
615.37366	24.6
616.37866	3.5
627.64545	2.0
633.38501	63.0
634.38947	14.1
651.39557	21.5
652.39813	5.0
675.39453	10.9
676.40039	3.3
693.40588	25.0
694.41028	6.7
775.03107	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	823.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.7
59.01376	7.3
61.98829	0.9
69.03461	1.0
71.01380	7.5
71.05040	0.6
72.99316	0.8
73.02940	2.6
73.31990	0.3
75.16891	0.3
78.95918	0.9
83.01363	1.4
83.05024	0.7
85.02953	6.7
85.06592	0.4
86.00134	0.4
87.00882	2.6
87.04527	0.4
89.02449	4.5
89.02957	0.5
95.01386	0.6
95.05002	0.4
97.02951	1.7
97.06609	2.3
98.19884	0.8
99.00903	0.7
99.04519	0.4
101.02447	8.0
107.05025	0.3
113.02450	3.3
113.06049	0.3
115.04019	0.4
116.92879	0.3
119.03490	1.5
125.02486	0.5
125.06044	0.5
125.09766	0.8
127.11311	0.5
133.05110	1.4
137.09726	1.0
143.03482	0.7
145.05083	1.8
149.67226	0.3
152.99547	0.8
155.10779	0.6
157.05112	0.7
161.04565	3.3
165.12843	0.3
171.08813	0.5
171.10274	8.9
172.10574	0.7
179.05630	1.1
183.13907	6.4
195.13914	0.7
197.91568	0.3
201.11331	0.5
209.11800	0.8
211.13380	7.2
212.13696	0.5
214.19046	0.3
221.11902	0.9
229.14436	3.5
233.15472	0.4
233.22781	0.6
235.08228	17.6
236.08597	1.1
239.12828	0.6
247.20471	0.4
251.16504	0.9
253.09285	23.3
254.09544	1.7
269.17612	0.6
277.21719	100.0
278.22061	10.3
291.19647	4.3
295.22742	0.3
309.20694	9.9
310.21036	1.1
327.21756	62.7
328.22098	6.1
419.25089	0.3
513.31299	0.6
545.29535	1.6
563.31036	1.3
587.43201	1.4
588.43384	0.5
592.26862	0.3
739.09009	0.3
823.44116	0.8
824.44055	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.497
Annotation	Diboviquinone-4,4
Peak:m/z	Relative Intensity
61.98831	3.1
70.26903	1.8
78.95921	1.0
80.96523	1.2
85.21141	0.5
99.04516	2.9
152.99585	0.9
171.10275	0.6
277.21643	3.0
294.56259	0.6
299.20132	2.9
300.20801	0.7
312.89413	0.6
325.20187	1.3
349.01651	0.6
399.25388	93.0
400.25705	13.7
443.15585	0.6
497.88315	0.6
603.46661	0.5
656.66455	0.6
682.10071	0.6
821.49707	100.0
822.50092	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.6
59.01377	6.5
61.98828	49.6
62.98543	0.7
69.03441	1.5
71.00121	1.6
71.01377	8.5
73.02945	1.4
78.91871	0.6
78.95894	1.5
78.98583	1.0
79.95724	3.3
80.91681	5.5
80.96513	19.8
81.03436	0.9
81.95287	0.8
82.96085	4.3
82.96913	0.9
83.01371	1.1
84.80149	0.7
85.02957	2.3
87.00861	1.7
89.02431	4.4
94.98083	3.8
96.96017	2.2
96.97653	1.1
97.02950	4.2
97.06580	0.9
99.00896	0.8
100.69674	0.6
101.02438	5.9
109.06608	0.7
111.08170	3.3
113.02462	3.1
119.03487	1.3
121.06694	0.8
122.97555	1.6
125.02444	1.6
125.09683	1.2
134.97607	0.8
137.09709	1.6
141.09093	0.7
143.03500	0.6
148.99129	1.5
152.98552	1.3
152.99614	0.9
159.02690	0.7
161.04543	2.9
163.11270	1.2
164.98596	2.5
165.12813	3.1
169.12355	1.5
170.83446	0.7
171.10266	9.4
179.05518	1.1
179.14459	1.0
181.12300	1.3
183.13875	1.1
191.14532	0.6
193.12347	0.7
195.13889	9.4
196.14447	0.9
197.10002	0.9
197.11819	14.0
198.12115	0.6
199.13451	0.7
207.10384	0.9
209.11821	1.8
209.15411	1.8
211.13312	3.3
223.13342	5.5
223.16844	0.9
224.87871	0.6
225.00710	2.8
227.00388	0.8
227.12907	2.7
235.08206	2.7
235.17015	2.1
247.20653	2.6
251.16515	0.9
253.09270	26.1
254.09665	0.9
256.13156	1.2
263.20267	0.7
273.18625	1.3
275.20145	11.4
276.20474	0.7
277.21692	2.8
291.19653	27.3
292.20084	3.4
293.21213	100.0
294.21545	9.7
309.20694	59.7
310.21066	5.5
527.28851	1.0
545.29443	1.2
585.41339	3.3
731.36859	5.0
732.37378	1.4
803.39288	1.6
821.41943	15.8
822.42413	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	821.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.7
59.01379	100.0
60.01701	1.6
71.01379	8.6
71.52203	0.7
73.02963	2.6
83.01393	1.3
85.02947	3.1
87.00874	0.5
89.02441	3.8
91.51569	0.5
93.03465	0.7
95.01415	1.0
96.96014	1.6
99.00871	0.6
101.02443	6.4
113.02439	4.6
119.03490	2.4
133.06885	0.5
137.09799	0.5
142.27261	0.4
143.03459	0.5
161.04573	2.0
164.04761	0.6
165.05708	0.4
171.03317	0.4
177.05609	0.5
189.94777	0.4
191.05591	3.0
194.43462	0.4
195.06537	0.7
195.13896	0.8
200.74733	0.5
207.13945	0.8
211.03380	0.5
225.15027	2.0
261.13382	2.6
303.14789	1.2
329.36209	0.5
369.19186	9.5
370.19650	1.3
383.73312	0.5
387.20337	3.8
421.08310	0.6
424.88864	0.5
429.21268	15.2
430.21573	2.1
571.01160	0.4
820.17090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.9
59.01376	1.8
61.98829	54.8
62.98530	1.0
63.99256	1.1
65.03979	0.9
69.40173	4.3
69.40582	1.8
71.01375	1.5
79.27924	0.9
79.95705	0.9
80.96523	3.0
87.00871	1.1
93.03460	1.1
96.96027	1.9
97.02957	1.1
97.06774	0.7
99.04517	100.0
100.04848	2.5
105.07100	1.9
107.05035	1.3
111.04546	0.9
115.84179	0.8
121.06580	1.3
122.03680	0.8
123.04538	0.9
132.68755	0.8
133.02965	1.3
133.06528	1.5
134.03740	2.1
135.04544	1.5
137.02496	1.8
143.05002	1.7
145.06622	2.3
147.08174	3.5
149.06059	1.5
156.05717	1.1
157.06552	2.5
159.04573	1.1
159.08107	6.8
161.06067	2.3
161.09682	2.1
163.07590	0.9
170.07372	0.9
171.08139	4.5
172.05278	1.0
173.04581	2.0
173.05994	1.6
175.07652	1.6
177.05565	1.9
177.09248	2.8
178.02689	1.4
179.03450	0.9
183.08119	3.1
185.06065	1.7
185.09697	2.7
186.06790	1.3
187.07664	2.0
189.05692	1.4
191.05568	1.8
191.07158	1.3
197.09689	3.4
198.06898	1.6
201.05530	1.6
201.09204	7.1
203.07121	6.7
203.10770	7.8
213.09212	7.5
214.06357	1.2
215.07130	2.9
215.10638	1.6
219.10115	1.3
227.07114	1.0
229.08630	2.0
231.10249	13.7
232.10649	1.3
239.91910	0.9
245.08188	13.0
246.08537	1.6
247.09744	15.4
249.11314	2.5
257.08249	9.2
258.08792	0.9
259.09732	7.0
260.10062	0.9
260.34204	0.9
263.09256	1.4
264.95529	0.9
275.09207	21.5
276.09567	1.4
277.10809	10.0
279.12598	4.1
290.88663	0.9
291.12463	1.5
292.04770	0.8
293.10223	4.0
347.15091	1.0
371.14871	0.9
391.17908	1.0
393.14987	2.2
475.19711	4.2
477.21326	1.2
567.31519	0.8
619.27618	0.8
821.29517	6.6
822.32050	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	818.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
63.10847	0.1
66.76902	0.1
71.01347	0.2
71.41628	0.1
78.98624	0.3
79.95751	0.4
80.96514	2.4
80.96954	0.2
81.13521	0.1
85.02982	0.1
94.98104	0.5
106.98086	0.2
123.36138	0.1
134.08757	0.1
134.97676	0.1
145.54825	0.1
148.99176	0.2
158.51578	0.1
164.98650	0.2
225.00713	0.6
229.10210	0.1
293.21167	0.3
323.46490	0.1
331.15298	0.1
599.53552	0.1
819.42023	3.0
819.57690	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.7
59.01372	0.8
61.98829	100.0
62.98553	0.7
63.99253	0.7
69.48163	3.2
69.93616	0.4
81.84650	0.5
83.05034	0.6
97.02976	1.0
99.04519	57.6
100.04836	1.4
101.06072	0.6
105.07143	1.0
111.04478	0.4
118.85426	0.5
121.06562	0.5
133.06615	0.9
135.04539	1.1
143.05048	0.7
143.99210	0.5
144.06754	0.6
145.01472	0.7
145.05046	1.1
145.06493	0.7
147.08192	1.1
149.06091	0.6
150.77431	0.5
157.06580	0.9
159.08139	3.5
161.06152	0.6
161.09732	0.8
170.07343	0.6
171.08174	1.5
175.07693	0.7
177.05501	0.6
177.09283	1.2
183.08115	0.9
185.06232	0.6
185.09784	1.0
186.06757	0.6
187.07695	0.7
195.08134	0.7
197.06209	0.7
197.09703	1.2
201.05562	0.8
201.09210	3.4
203.07147	2.8
203.10760	4.3
205.08789	0.5
213.09224	4.7
215.07076	1.0
215.10686	1.1
217.36162	0.5
227.07132	0.9
229.08696	1.2
231.10257	7.1
239.07147	0.7
245.08194	6.8
246.08571	0.5
247.09760	10.9
248.10030	0.7
257.08179	3.5
258.08752	0.6
259.09714	2.2
261.07791	0.5
263.09290	1.4
275.09277	9.1
276.09927	0.6
277.10828	4.7
279.12488	2.0
279.79639	0.5
293.10260	2.1
307.11896	0.5
309.13293	0.7
347.15021	1.0
362.55402	0.5
409.18762	0.6
475.19836	4.4
477.21545	1.0
821.31146	2.3
822.32538	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98544	0.1
69.31790	0.2
69.32203	0.7
98.20722	0.2
111.71606	0.1
129.62401	0.1
317.21359	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98526	0.1
61.98831	100.0
62.95344	0.1
62.98529	0.2
65.02523	0.1
69.32461	0.5
69.32886	0.3
99.04514	0.6
100.04932	0.1
110.80549	0.1
127.63371	0.1
159.42809	0.1
166.10405	0.1
233.11874	0.2
275.09528	0.1
277.10803	0.2
301.21906	0.1
583.01556	0.1
766.42273	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	818.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48644	0.2
59.01368	0.5
61.03104	0.1
61.98830	100.0
62.98532	0.3
62.99277	0.2
63.99277	0.2
65.25735	0.1
69.04246	0.1
69.51425	0.6
69.51830	0.4
71.01393	0.1
75.60252	0.2
79.95716	0.2
80.96504	1.1
82.96083	0.2
87.00920	0.2
94.98116	0.2
96.96043	0.2
99.04542	0.6
116.92857	0.7
117.92912	0.1
164.98634	0.2
191.05582	0.5
225.00728	0.2
440.69208	0.2
545.40790	0.2
644.70581	0.2
717.62445	0.2
721.67853	0.2
817.51196	0.3
818.36951	0.3
818.51495	0.4
819.38794	0.5
830.90204	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98531	0.3
63.66527	0.1
63.99257	0.2
66.39721	0.1
80.96527	0.2
84.48468	0.1
88.76564	0.1
98.19859	0.2
99.04518	1.4
100.04913	0.1
122.36074	0.1
154.10596	0.1
197.11746	0.1
201.09215	0.1
213.09224	0.2
215.46851	0.1
229.16519	0.1
231.10287	0.2
233.11774	0.5
245.08272	0.2
250.58086	0.1
257.08197	0.2
275.09363	0.4
277.10852	0.3
377.16107	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.5
61.98829	100.0
62.98532	0.2
63.99253	0.2
70.64147	0.3
71.01410	0.1
80.96532	0.4
82.96079	0.1
86.70409	0.1
88.13236	0.1
92.75859	0.1
94.98078	0.2
96.78796	0.1
99.00900	0.1
99.04530	1.0
120.65844	0.1
128.46126	0.1
141.01689	0.6
142.05058	0.1
145.31870	0.1
213.09070	0.1
229.02707	0.1
233.11713	0.1
255.65530	0.1
257.08237	0.2
261.07773	0.1
275.09222	0.2
482.82672	0.1
525.65747	0.1
818.51300	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
63.42757	0.2
63.96215	0.2
68.22920	0.2
70.48647	0.4
71.01405	0.5
73.30064	0.2
78.95491	0.2
78.95894	1.0
78.98592	0.3
79.95746	0.6
80.96515	3.0
87.00938	0.2
94.98091	0.8
98.19932	0.2
101.02442	0.2
116.12757	0.2
125.02440	0.2
126.42923	0.2
134.97707	0.3
139.16521	0.2
148.99197	0.2
164.59393	0.2
164.98676	0.4
186.03162	0.2
225.00743	0.5
241.01227	0.3
259.15561	0.4
262.86230	0.2
277.21823	0.9
278.22125	0.4
279.23349	0.3
332.02094	0.2
798.41559	0.7
816.50403	1.9
817.39709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.2
69.70033	4.4
71.01381	8.2
73.02945	4.7
85.02956	3.7
89.02464	1.6
93.03470	1.3
101.02430	5.6
104.96704	1.0
113.02452	2.6
122.03761	5.0
134.03761	3.9
135.04500	3.4
136.05243	1.5
148.05322	2.9
149.06065	15.8
151.07672	1.2
159.02985	1.0
159.04480	1.0
161.04530	6.4
161.06055	4.3
162.06831	1.2
163.07719	1.2
176.08424	100.0
177.08864	7.1
189.09203	2.1
190.09940	1.6
191.05646	2.1
191.10780	58.3
192.11057	3.3
205.08690	2.6
214.09947	1.0
229.12256	2.4
247.13480	1.9
264.13602	4.1
265.14438	91.6
266.14807	8.2
427.19864	4.9
495.61676	1.0
516.88501	0.9
681.22357	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
61.98830	100.0
62.98537	0.2
63.99250	0.3
71.01401	0.1
71.52372	0.2
74.33148	0.1
74.63443	0.1
78.95914	0.2
79.95733	0.3
80.96529	0.7
80.96964	0.1
82.96105	0.1
93.03457	0.1
93.59399	0.1
94.98100	0.2
96.96095	0.1
99.04523	1.2
104.65237	0.1
116.92824	0.2
191.05576	0.2
225.00851	0.1
231.10323	0.4
245.08357	0.1
257.08154	0.2
262.61661	0.1
275.09305	0.2
817.50464	0.2
818.35724	0.2
818.49725	0.2
819.38824	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.1
61.98828	100.0
62.98541	0.2
69.18920	0.5
69.19356	0.4
71.01379	0.1
80.96526	0.2
81.29477	0.1
85.02976	0.1
85.42209	0.1
94.16290	0.1
96.96029	0.1
98.24664	0.1
99.04506	0.6
130.74141	0.1
189.83131	0.1
191.05699	0.1
207.05206	0.1
209.11835	0.3
210.12248	0.1
240.43037	0.1
257.08414	0.1
262.09119	0.1
397.13449	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
62.22729	0.5
63.96222	2.4
66.08881	0.5
69.03442	0.7
69.22845	1.0
69.23254	3.8
71.01379	10.0
73.02946	2.0
78.98592	8.5
79.95735	17.7
80.96516	100.0
81.03458	0.8
81.96465	0.5
85.02944	3.7
87.00852	3.8
94.98080	22.8
96.96014	1.9
97.02949	2.4
98.19819	1.0
99.00870	0.8
101.01881	0.5
101.02429	3.0
106.98095	4.0
122.96744	0.7
122.97566	4.4
123.30294	0.4
124.42475	0.4
125.02458	3.9
127.04014	0.8
134.97571	7.3
136.99132	2.2
148.99133	8.3
152.98639	6.8
164.98619	14.9
165.98814	0.5
167.00099	0.5
188.98590	0.7
191.44124	0.5
206.99657	2.7
225.00731	20.3
255.23383	2.6
256.67453	0.5
277.21674	1.5
283.05099	0.6
535.45959	0.5
537.27606	1.0
559.25903	2.6
634.34570	0.6
815.49817	81.6
816.50128	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	816.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
59.31902	0.3
61.98828	100.0
63.99250	0.4
69.67133	0.6
69.67545	1.0
71.01386	1.1
73.02912	0.3
74.23752	0.2
78.98601	0.5
79.95734	1.4
80.96516	5.9
85.02956	0.8
87.00876	0.4
94.98097	1.4
96.96019	0.8
99.04517	1.6
101.02459	0.4
106.84010	0.3
116.05946	0.3
116.92864	0.5
125.02455	0.3
134.97595	0.4
148.99182	0.3
150.60878	0.2
163.03545	0.3
164.98648	0.8
191.05670	0.7
209.11829	2.3
225.00806	1.2
227.12906	0.5
277.10782	0.6
303.19699	0.4
313.47922	0.3
328.05521	0.4
397.13522	0.6
539.01880	0.3
649.57080	0.3
725.22870	0.3
815.49664	2.8
816.50385	3.5
817.49652	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66621	0.1
59.01376	1.6
61.98829	100.0
62.98523	0.2
71.01392	0.3
72.99352	0.1
78.98587	0.2
79.95751	0.3
80.96514	2.0
87.00921	0.1
94.98114	0.4
98.19902	0.3
99.04511	1.0
101.02493	0.2
102.12240	0.1
122.97674	0.1
134.97604	0.1
141.01714	0.5
147.99232	0.1
148.99156	0.1
152.98663	0.1
158.37773	0.1
164.98613	0.2
182.24796	0.1
189.68932	0.1
191.05769	0.1
202.91107	0.1
212.31265	0.1
225.00798	0.3
228.99413	0.1
233.11790	0.1
277.10938	0.1
277.21729	0.2
344.07889	0.1
359.22083	0.1
377.15799	0.1
397.13522	0.1
634.27533	0.1
815.49475	1.0
816.50159	1.3
816.62836	0.1
817.50232	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.1
61.98822	6.1
69.86287	5.5
71.01370	5.2
73.02967	1.4
78.95905	7.6
80.96526	8.8
83.05033	3.7
85.74042	1.2
88.67368	1.2
89.02462	1.6
94.91936	1.2
96.96929	1.5
101.02432	2.6
113.02443	2.4
114.96403	1.3
151.89142	1.3
163.11244	5.3
165.12823	2.1
171.10335	2.1
209.11815	100.0
210.12144	6.6
227.12891	9.8
235.08209	5.5
241.01198	4.0
253.09235	10.3
255.23198	3.2
267.14975	1.4
277.21704	92.7
278.22015	11.0
315.97705	1.4
365.25943	1.4
409.45865	1.5
445.20743	1.9
725.39020	1.4
736.73840	1.5
797.41583	6.6
798.41071	2.7
815.49921	9.2
816.49603	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	815.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97284	1.0
57.03445	7.6
59.01370	2.1
65.03962	1.2
69.03434	1.8
69.63117	0.7
71.01358	0.9
78.95914	1.0
78.98593	1.2
79.63779	0.7
79.95724	1.3
80.96517	14.0
81.03446	9.6
82.19201	0.9
83.01371	3.0
83.05019	2.9
83.18088	0.8
85.02979	0.8
91.05515	1.2
93.03455	1.9
94.98084	2.5
95.01376	1.6
95.05015	2.6
97.02946	1.5
99.04517	48.0
100.04855	1.3
105.07092	0.9
107.05006	2.5
107.08659	1.7
107.77231	0.8
108.02176	1.6
109.06593	7.4
111.04506	3.4
121.06597	2.2
123.04504	8.9
125.02438	7.3
131.08656	1.1
133.06615	4.5
135.04497	5.6
137.02405	1.5
137.06058	1.0
138.88013	0.9
145.06560	1.2
147.08070	1.1
149.06018	1.3
149.09709	1.1
150.27550	1.1
151.07625	3.4
153.05609	1.1
159.08144	1.3
164.31798	0.8
164.98593	1.7
165.05542	1.9
169.06441	0.9
171.08113	0.9
173.09651	1.8
175.07596	2.2
177.05553	1.0
179.33221	0.7
183.11710	1.2
185.09695	3.0
198.06645	1.5
199.11215	0.9
201.09026	1.2
201.12730	2.2
205.08754	1.0
211.11200	0.8
213.09120	1.1
213.12776	1.0
215.10710	1.2
223.29391	0.9
225.00706	3.1
227.10760	4.7
228.11516	0.9
245.11679	1.7
250.36517	0.8
255.10255	2.9
256.10550	0.8
271.09674	1.0
329.13937	1.2
360.23053	0.9
437.32602	3.5
438.32968	3.5
439.33469	2.7
697.41760	4.0
710.72430	0.9
715.43402	7.1
716.45032	0.9
815.49493	100.0
816.49768	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
60.97359	0.8
61.98825	0.9
63.96221	1.4
69.03461	1.1
70.68758	0.6
71.01383	11.6
73.02934	1.8
78.98595	7.3
79.95733	18.4
80.96516	100.0
81.03444	0.9
81.96458	0.9
83.01391	1.2
85.02950	3.4
87.00868	3.8
91.40518	0.7
94.98086	24.5
96.95983	1.0
97.02965	1.7
99.00881	1.6
99.04546	1.2
101.02441	3.2
105.30935	0.7
106.98098	4.4
122.97587	5.8
125.02435	3.2
127.04008	1.6
134.97563	6.1
136.99144	1.4
148.99139	7.7
150.97177	1.1
152.98636	6.9
164.98610	12.8
206.99739	3.5
225.00737	19.5
226.01149	1.0
255.23242	2.1
321.59631	0.7
427.08914	0.9
537.27393	0.9
559.25824	1.6
698.10059	0.7
815.49811	76.6
816.50159	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	815.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
59.01365	2.0
61.98828	30.4
66.37100	0.5
67.01881	1.8
69.23744	5.2
71.01375	1.5
79.95743	1.7
80.96514	12.2
81.03440	0.6
85.02947	0.8
86.72911	0.6
91.05511	0.5
93.03425	0.8
94.98097	2.4
96.96036	0.9
97.02946	1.6
99.04517	100.0
100.04873	2.7
104.03556	0.8
106.98058	1.2
130.04240	0.6
131.05057	0.6
131.69223	0.6
133.06599	1.2
134.21255	0.6
134.97615	0.7
135.04500	0.9
143.05022	3.7
143.08710	0.8
144.05763	1.3
145.06586	1.1
147.04512	1.7
148.99046	0.8
149.06067	1.0
156.05821	1.2
157.06573	2.4
158.07304	0.8
159.04558	1.2
159.08165	5.6
161.06052	3.2
164.98621	1.7
169.06546	0.9
170.07314	0.6
171.04483	1.4
171.08157	3.8
173.06058	1.6
174.06860	0.8
175.03957	1.0
175.07620	1.5
177.05597	1.5
183.08141	3.3
185.06071	1.9
185.09673	0.7
186.06824	2.2
187.03964	1.6
187.07626	1.6
188.04845	0.7
189.05530	1.1
189.09261	0.8
191.03503	1.5
191.05482	0.8
191.07147	1.7
195.08194	0.7
198.06865	3.1
199.07684	0.6
201.09190	9.8
202.09514	1.0
202.84636	0.6
203.07170	1.8
205.08781	0.6
211.07672	1.1
213.09198	8.1
214.09473	0.6
215.07130	2.3
222.25359	0.6
225.00777	2.3
229.08694	9.6
230.09038	0.8
231.10240	37.2
232.10582	3.5
239.07094	0.7
245.08179	16.0
246.08473	1.2
257.08176	7.7
275.09241	14.6
276.09549	1.1
279.12402	0.8
287.32358	0.6
475.19617	3.8
476.20123	0.8
815.49951	10.5
816.50140	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.3
59.01381	2.8
62.68622	0.2
62.80364	0.2
67.01887	0.4
71.01380	1.8
73.02946	0.7
79.95692	0.5
83.01390	0.4
85.02940	2.0
87.00890	0.6
87.04514	1.0
89.02414	0.4
93.03432	1.4
95.95244	0.3
96.96014	0.9
98.95609	0.2
101.02451	0.6
101.06081	0.3
107.05030	0.5
109.02971	0.4
111.05469	0.2
113.02465	0.9
113.30826	0.2
119.05063	0.7
120.99669	0.7
121.02972	0.3
121.06661	0.2
122.03739	44.6
123.04111	1.0
124.05281	0.9
134.03787	1.3
135.04546	0.5
136.05177	0.4
137.06100	1.3
138.01955	0.3
138.06544	0.3
146.03712	0.4
149.06088	6.0
150.06752	0.4
151.07642	2.8
153.09180	1.8
161.04523	0.6
161.09721	0.5
163.07622	0.6
164.04784	0.4
165.05423	0.3
165.09190	0.3
166.06404	0.3
173.04564	1.0
177.09135	0.4
178.10023	0.4
179.10756	2.6
181.08751	0.2
191.05615	5.7
191.07173	0.4
191.10776	5.0
192.05920	0.3
193.05054	0.3
205.08664	0.3
207.10289	0.3
210.89552	0.2
221.11789	0.3
223.06158	0.3
223.13203	0.3
231.13921	0.5
249.14987	1.7
251.12933	0.7
252.11374	0.2
252.13600	1.2
265.14435	4.5
266.15210	8.9
267.15994	100.0
268.16354	8.9
308.50342	0.3
341.12442	0.6
367.10388	2.1
368.10550	0.3
429.21277	17.6
430.21640	2.5
815.23444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.3
59.01384	2.3
67.01904	0.2
71.01373	1.5
73.02946	0.6
74.83617	0.2
79.95715	0.4
83.01391	0.3
85.02953	2.4
87.00867	0.7
87.04527	0.9
93.03472	1.4
96.96022	0.5
97.02915	0.3
98.20660	0.6
99.04533	0.3
101.02446	0.8
101.06078	0.5
107.05035	0.5
109.52290	0.2
113.02438	0.9
119.05005	0.4
120.99691	0.4
122.03738	42.8
123.03997	1.3
124.05276	0.8
128.47583	0.2
134.03754	1.4
135.04463	0.3
137.02469	0.4
137.06084	1.5
138.01996	0.3
148.05283	0.4
149.06078	6.0
150.06801	0.4
151.07657	2.8
153.09204	1.8
161.04579	0.6
161.09685	0.5
163.07639	0.6
163.11275	0.3
173.04518	0.6
173.09744	0.2
177.09158	0.3
178.10040	0.4
179.10777	2.4
189.09207	0.2
191.05611	5.9
191.10757	4.5
192.05939	0.3
192.11223	0.2
205.12317	0.3
207.10272	0.4
221.12009	0.3
229.05380	0.2
231.13898	0.6
234.12746	0.2
249.14929	1.9
251.12859	0.5
252.13618	1.0
265.14420	3.9
266.15201	9.6
267.15991	100.0
268.16327	7.8
299.11063	0.4
367.10287	2.1
377.10022	0.4
429.21255	18.2
430.21588	2.5
606.32971	0.3
815.23041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
61.98829	100.0
62.98549	0.3
63.44293	0.2
69.83591	0.3
69.83995	0.8
71.01383	0.5
73.73977	0.2
79.95751	0.3
80.96518	2.9
94.98095	0.6
96.96013	0.3
99.04514	1.8
106.97984	0.2
117.35141	0.2
119.04994	0.3
125.02423	0.2
128.86052	0.2
148.99214	0.2
164.98537	0.4
173.00691	0.2
191.05563	0.6
194.11101	0.2
200.23251	0.2
225.00768	0.5
225.11491	0.2
319.22729	0.4
815.50269	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	815.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.2
69.84384	0.7
69.84797	0.8
71.01383	2.2
73.02941	2.5
75.23250	0.3
76.11943	0.4
80.96532	0.3
83.01375	0.8
85.02953	0.9
98.20564	0.4
101.02434	2.6
113.02429	0.9
131.03471	0.4
197.92278	0.3
211.14565	0.3
267.29028	0.3
319.22827	3.3
395.43478	0.4
403.25040	0.4
406.35602	0.3
463.26981	16.4
464.27396	2.5
481.28052	28.6
482.28436	4.3
497.51166	0.3
505.28598	0.5
523.29095	100.0
524.29425	19.2
565.30280	1.7
566.30542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	9.1
59.01343	2.9
62.42210	1.3
63.22678	1.2
65.03973	1.7
69.03429	1.8
75.90704	1.4
80.96498	3.1
81.03439	10.7
83.05018	6.8
93.03443	2.3
94.25764	1.5
95.05064	1.8
98.19941	3.9
99.04513	36.6
107.05000	4.8
109.02948	1.8
109.06559	5.4
111.04469	2.2
119.04987	2.0
122.03662	1.5
125.02450	15.0
125.06053	1.7
133.06575	4.2
135.04471	3.4
147.08138	1.7
149.06009	3.1
151.07590	1.5
157.06496	2.0
159.08180	1.7
161.06053	2.7
171.08192	2.8
173.06059	1.6
183.08109	4.1
197.09659	2.1
199.07619	2.4
199.11278	3.9
201.09129	2.2
211.07512	1.9
211.11346	1.9
213.09247	1.9
221.71875	1.7
223.11276	2.2
225.09213	6.3
241.12376	2.3
243.10231	2.8
369.89017	1.5
437.32571	9.2
501.17410	1.8
647.48981	1.7
713.42584	6.0
714.41730	2.2
813.47900	100.0
814.48346	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.60062	0.1
61.98829	100.0
62.98532	0.2
70.48694	0.3
71.63101	0.1
80.96531	0.4
98.20579	0.1
99.04507	0.2
106.75592	0.1
241.74727	0.1
521.18274	0.2
621.23615	0.2
632.05750	0.1
667.06592	0.1
713.84308	0.1
815.50220	0.1
844.64740	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	814.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.6
59.01371	1.4
59.88597	0.3
60.99291	0.3
61.98828	100.0
63.61089	0.3
67.01912	0.7
68.20261	0.3
69.03455	0.9
70.48171	1.0
70.48517	0.3
71.01389	0.7
79.05544	1.0
79.95737	1.0
80.96516	4.0
85.02924	0.5
86.77180	0.3
91.05524	0.4
93.03477	0.4
94.98092	0.8
96.96037	0.4
97.02966	0.9
99.04517	26.3
100.04839	0.9
105.07134	0.4
116.92879	0.3
117.07121	0.5
119.05020	0.6
121.06574	0.4
123.04531	0.5
123.48489	0.3
125.08646	0.3
130.04318	0.6
131.05054	0.5
133.06601	0.9
134.97554	0.4
135.04527	1.3
139.04053	0.5
141.07124	0.6
143.05019	1.4
144.05798	0.6
145.06587	0.6
147.04506	0.7
147.08138	0.7
149.06091	0.7
150.28323	0.3
156.05806	1.0
157.06592	2.2
158.07338	0.7
159.04570	0.7
159.08156	5.1
161.02455	0.3
161.06105	1.2
163.07663	0.5
164.98575	0.5
169.06560	0.9
170.07352	0.8
171.04552	1.2
171.08156	4.0
172.05293	0.9
173.06079	1.0
173.09657	0.7
175.07626	0.6
177.05585	1.0
179.07024	0.3
183.08109	2.5
185.06041	1.7
185.09737	0.7
186.06892	2.0
187.07620	1.0
189.05463	0.4
189.09200	1.0
191.03635	0.7
191.05585	0.4
195.08191	0.7
197.06102	0.4
198.06857	1.1
199.07491	0.5
201.05598	0.9
201.09201	11.0
202.09612	1.0
203.07156	1.7
203.10738	0.6
209.11880	0.6
211.07713	0.6
213.09192	9.2
214.06187	0.3
214.09592	0.7
215.07173	2.1
216.07857	0.4
225.00729	0.9
227.07185	1.0
229.08736	1.3
231.10240	12.1
232.10628	0.9
239.07100	1.5
242.05714	0.4
245.08162	11.7
246.08597	1.0
247.09776	0.5
248.14192	0.7
249.11371	0.5
249.14888	0.4
257.08176	8.7
258.08588	0.9
268.41284	0.3
275.09241	13.6
276.09641	1.0
317.21188	2.8
318.21713	0.7
459.18668	0.4
475.19818	1.4
477.19287	0.3
503.17157	0.5
551.19110	0.4
575.41296	0.3
607.25519	0.6
651.24530	0.7
651.36316	0.3
815.50012	3.5
838.11627	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61227	0.4
59.01380	20.0
61.98820	0.6
71.01379	3.0
72.36749	0.4
73.02953	4.7
77.45538	0.4
83.01392	1.3
85.02946	1.1
89.02496	0.4
93.03471	0.4
96.95975	0.4
99.04527	0.6
101.02448	7.2
107.79031	0.4
113.02450	1.0
131.03448	0.5
161.04527	0.4
191.05533	0.6
203.05740	0.4
211.19273	0.3
230.64644	0.4
320.04254	0.4
461.25644	1.0
479.26416	3.0
503.27292	0.4
521.27545	100.0
522.27850	16.7
535.29175	0.7
563.28510	1.3
746.07898	0.4
749.66620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
57.74169	0.5
59.01381	25.6
61.98834	0.7
68.08961	0.4
68.99807	0.8
69.29570	4.1
71.01384	3.5
72.99303	0.5
73.02948	4.4
79.95770	0.5
82.29707	0.4
83.01373	1.7
85.02942	1.1
87.00843	0.6
93.03439	1.9
96.96012	5.3
99.04506	2.1
101.02451	8.3
111.04538	0.5
113.02493	1.2
131.03500	0.5
134.03760	0.5
135.04471	0.5
155.03635	0.5
156.01135	0.5
161.04623	0.9
173.04533	0.7
187.11217	0.6
191.05540	1.8
203.05562	0.6
231.10258	0.5
254.31444	0.4
300.02826	0.5
313.16669	0.6
315.01270	0.6
329.16190	0.5
331.17557	0.8
333.13269	0.4
345.06137	2.0
417.19675	0.8
449.14575	1.6
461.25262	1.1
479.26468	5.2
480.27005	0.8
521.27545	100.0
522.27942	15.1
563.29126	1.4
779.46399	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	8.5
59.01369	1.1
61.98822	1.6
65.00327	0.9
65.03951	1.8
69.03462	1.2
69.57095	4.2
77.22527	0.6
78.95908	1.2
80.96519	1.3
81.03450	10.6
83.01385	3.0
83.05025	2.0
91.05534	1.6
93.03442	2.0
95.05013	2.0
97.02945	1.3
99.04521	37.0
100.04853	0.8
105.07093	1.7
107.05045	3.4
109.02924	1.7
109.06595	5.5
111.04534	3.1
117.03504	0.9
119.04996	1.5
121.02927	0.7
121.06593	1.6
123.04531	1.5
125.02458	8.9
126.02785	0.7
129.07152	0.8
133.06621	3.7
135.04526	2.6
137.02441	1.5
137.06061	1.0
140.74030	0.6
143.05006	1.4
145.06586	1.8
147.04478	1.1
147.08151	2.2
149.06046	1.5
151.07632	1.6
157.06555	1.4
159.04468	0.7
159.08124	1.6
161.06073	1.8
169.06606	1.1
171.08182	1.1
173.06003	1.9
175.03960	0.8
181.06473	1.0
181.10219	1.3
183.08141	4.8
185.06036	1.4
185.09657	1.5
186.06854	0.7
187.07613	1.0
189.09190	0.9
191.07065	1.2
193.10255	0.8
195.08162	2.1
196.08733	0.6
197.06062	0.7
197.09703	2.1
198.06815	0.6
198.27185	0.7
199.07526	1.0
199.11304	3.9
201.09230	2.3
207.08194	0.7
209.09711	1.1
211.07698	1.1
211.11295	2.0
213.09213	1.9
215.07088	0.9
223.11195	1.0
225.09219	6.5
227.07065	1.2
235.11136	0.9
236.08260	0.7
237.09167	1.7
239.07109	0.8
241.01074	1.1
241.12369	2.1
243.10252	2.7
251.10712	0.9
253.12289	1.2
255.10107	1.1
265.12305	1.2
267.10138	0.8
277.21585	1.0
283.13312	1.1
287.09229	1.8
327.12592	0.8
351.32669	1.5
364.69513	0.8
382.68381	0.8
437.32874	5.7
438.32932	1.3
528.15472	0.6
713.42621	7.1
714.42999	1.4
813.47943	100.0
814.48309	33.3
814.63672	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.6
61.98829	8.3
69.58365	3.1
71.01385	2.7
73.02934	0.6
78.95905	1.0
80.02678	0.8
81.03432	0.9
83.05020	2.6
87.00880	0.9
88.04041	100.0
89.02441	1.4
89.04382	2.1
99.04558	0.8
101.02428	1.6
113.02444	0.9
155.05077	0.6
161.04568	1.6
163.11272	1.6
165.12843	1.1
171.10301	0.6
179.05717	0.8
191.05588	1.1
204.26392	0.5
209.11821	97.1
210.12144	6.1
223.13338	0.7
227.12880	15.2
228.13457	0.7
235.08231	5.6
253.09286	10.0
277.21716	76.3
278.22052	6.5
282.32104	0.5
293.21289	1.1
294.21579	1.1
309.20892	0.6
317.21185	2.4
318.21426	0.7
378.42038	0.6
427.19641	0.7
445.20850	4.8
446.21399	0.6
504.29608	1.0
513.30725	2.6
732.93964	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	0.5
59.01379	17.5
59.99497	0.5
61.98835	0.8
67.19370	0.5
71.01380	9.5
71.53055	0.6
71.53430	0.5
73.02944	13.5
83.01385	3.9
84.41808	0.4
85.02951	1.8
87.11261	0.4
89.02441	1.9
95.01405	0.4
96.96048	0.5
99.00926	0.7
99.04520	1.3
101.01799	0.8
101.02447	10.7
105.00128	0.5
113.02463	2.7
119.03465	0.8
120.99664	0.8
131.03513	0.4
156.33511	0.5
157.55644	0.5
161.04555	0.5
172.05695	0.5
191.05508	0.7
260.97058	0.6
277.06848	0.6
277.54672	0.4
299.20157	45.3
300.20508	4.9
317.21301	0.7
390.18332	0.5
421.85065	0.5
461.25302	0.5
479.26599	3.8
480.26956	0.7
521.27539	100.0
522.27881	17.0
563.28809	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	813.319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	10.8
61.98828	11.3
71.01385	8.1
71.52312	0.9
72.99287	0.6
73.02949	3.4
85.02956	4.4
89.02440	1.7
95.01383	1.0
96.95987	2.4
101.02437	4.1
113.02455	4.5
116.92861	1.4
119.29528	0.7
125.02435	0.7
153.56465	0.6
191.05606	3.0
226.51009	0.6
299.20135	41.5
300.20520	4.4
300.23331	0.6
308.89337	0.6
317.21158	3.3
416.24277	0.7
457.39120	0.8
461.25461	24.3
462.25800	4.2
479.26495	10.6
480.26889	2.0
503.26727	1.2
521.27533	100.0
522.27899	16.4
563.28369	1.9
742.86414	0.7
831.37396	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.319
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	0.3
59.01381	12.4
61.98817	0.5
68.31797	0.2
69.03455	0.3
70.63840	0.3
71.01386	6.5
72.88657	0.2
72.99290	0.2
73.02947	8.2
79.83092	0.2
83.01390	1.9
83.35049	0.2
85.02953	1.3
87.00878	0.4
89.02450	2.1
95.01382	0.3
96.03251	0.2
96.96005	0.2
99.00932	0.3
101.01797	0.4
101.02450	6.9
104.17904	0.2
113.02452	1.9
115.91792	0.2
119.03497	0.8
119.74880	0.2
131.03462	0.4
155.56746	0.2
161.04517	0.5
193.02518	0.2
194.33752	0.2
222.85350	0.2
259.68738	0.2
299.20160	40.8
300.20514	4.3
317.21097	1.4
461.25482	2.7
462.25598	0.6
479.26456	7.2
480.26819	1.2
503.26212	0.3
521.27545	100.0
522.27893	16.8
563.28595	2.3
564.28699	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	8.5
59.01368	9.0
61.98828	28.0
71.01384	3.1
71.36829	2.7
71.41526	2.6
71.52029	3.2
71.52495	3.5
78.95919	3.0
81.03450	2.9
85.02919	3.7
90.81501	2.9
93.03472	10.5
95.05018	9.4
96.56482	2.9
96.95965	13.9
97.02953	8.0
99.04518	47.9
105.07098	11.4
107.05008	5.1
108.02131	4.4
109.80583	3.2
119.05045	8.2
121.06599	8.3
122.03727	4.6
123.04493	12.9
125.93874	2.8
133.06612	3.8
134.03720	12.2
135.04471	9.3
137.06055	4.9
145.06549	3.8
147.04538	31.8
147.08121	4.3
149.06076	71.1
150.06392	3.9
155.93619	3.0
159.08116	10.1
161.06067	5.8
165.05566	5.0
169.06580	4.0
171.08125	5.8
173.06056	5.9
175.03987	3.8
183.08107	9.8
185.05994	4.7
187.04008	4.4
189.05556	3.8
191.05582	7.5
191.07143	4.8
198.06845	3.4
199.07581	8.0
201.09236	14.8
203.10742	4.7
211.07590	4.4
213.05626	3.6
213.09181	9.6
215.07098	7.0
225.09233	3.2
227.07190	7.9
229.08569	3.1
239.07042	4.5
243.06526	5.1
245.08113	27.5
247.09708	6.0
257.08215	13.6
265.14310	3.7
266.15051	3.0
341.10422	5.3
399.16327	3.2
403.19330	3.1
429.16623	2.9
447.18088	44.5
448.18332	8.7
459.18021	10.9
473.17072	4.2
477.19144	12.6
478.19125	3.5
491.17133	42.2
492.17154	7.4
503.17264	20.3
504.17688	3.6
521.18134	100.0
522.18329	19.3
533.18103	14.4
621.23364	50.4
622.23737	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	811.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.7
59.01378	100.0
60.01717	1.0
64.27858	0.3
71.01380	4.7
73.02934	2.3
83.01392	1.4
85.02946	3.0
87.00856	0.4
88.22639	0.4
89.02445	1.1
91.44280	0.4
96.96038	1.1
98.20663	1.0
99.00884	1.1
99.04518	12.6
100.04853	0.6
101.02426	6.4
107.79248	0.4
113.02445	2.7
128.45616	0.4
131.93857	0.4
159.03050	0.6
161.04591	2.7
175.24625	0.4
191.05666	1.6
203.10799	2.5
247.09753	3.2
259.09860	0.5
272.55048	0.4
277.10883	1.5
279.12491	0.6
301.11884	0.4
315.18124	14.1
316.18542	1.0
347.15149	0.4
357.19144	9.0
358.19714	0.9
374.89346	0.4
493.96246	0.4
497.03125	0.6
514.16248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
59.01379	100.0
60.01715	1.1
61.98830	0.9
66.12518	0.4
70.71832	0.8
71.01376	5.6
73.02948	3.7
75.86673	0.4
83.01402	1.4
85.02953	3.7
87.00875	0.9
89.02453	1.4
95.01381	0.7
96.96029	2.0
99.00900	0.8
99.04518	13.3
100.04906	0.4
101.02432	7.4
113.02434	2.8
114.75833	0.4
117.34139	0.4
119.03535	0.6
130.04254	0.4
159.02969	0.5
161.04608	2.5
161.09708	0.6
173.04654	0.4
191.05649	2.8
203.10825	2.3
219.47034	0.4
247.09767	3.5
277.10919	0.7
315.18079	8.5
316.18558	1.2
357.19193	3.1
419.70102	0.5
538.69611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01379	100.0
60.01717	1.2
60.31263	0.3
69.95031	1.2
71.01382	12.1
72.99337	0.5
73.02948	3.7
74.64433	0.3
79.79759	0.3
83.01397	1.2
85.02950	5.0
87.00900	0.3
89.02451	2.7
95.01405	1.0
96.96008	0.5
97.02967	0.6
98.20570	0.4
99.00900	1.5
99.04520	14.2
100.04830	0.4
101.02442	7.0
108.50141	0.3
113.02449	4.3
119.03554	0.5
125.02472	0.4
159.02991	0.8
161.04538	3.5
161.09697	0.4
162.26653	0.3
185.09813	0.3
194.59567	0.3
203.10754	2.4
247.09766	3.7
248.10155	0.5
277.10895	1.1
279.12479	0.3
315.18115	9.4
315.21558	0.6
316.18600	0.9
357.19202	2.8
358.19528	0.3
434.77518	0.3
622.70685	0.3
700.57202	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.1
61.98830	11.1
69.14739	0.4
69.15039	4.6
71.01375	2.5
73.02953	0.8
76.49092	0.4
80.96503	0.9
81.03457	0.5
83.01382	0.8
83.05035	2.4
85.02958	0.9
87.00886	0.9
88.04040	100.0
88.98803	1.0
89.02435	1.7
89.04398	1.4
101.02442	2.0
113.02465	1.8
118.05088	0.4
119.03468	0.5
125.02438	0.4
133.01595	0.4
145.04976	0.7
150.06351	0.4
153.75276	0.4
161.04567	1.5
163.11267	1.1
163.62924	0.4
165.12871	1.5
191.05547	0.5
197.11732	0.6
208.92274	0.4
209.11818	66.6
210.12163	3.9
223.13399	2.6
224.13722	0.9
224.25421	0.5
227.12869	13.1
227.15143	0.7
228.13040	0.5
235.08194	8.6
253.09256	9.3
259.20847	0.5
277.21710	95.4
278.22055	10.6
292.19745	0.6
309.20731	1.0
310.20840	0.6
427.19821	0.7
445.20721	1.6
502.28146	0.4
513.30609	3.2
514.31104	0.8
666.63208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03409	0.5
57.20837	0.5
59.01378	5.8
61.98829	18.6
65.63326	0.5
70.21445	0.5
70.37270	0.7
70.37614	1.6
71.01379	4.5
71.05002	2.2
73.02914	1.3
78.95881	2.5
79.95716	1.6
80.91670	1.8
80.96510	5.1
82.95415	10.0
84.00875	1.6
85.02910	1.1
89.02458	2.6
95.65485	0.6
96.53676	0.6
96.96005	0.8
101.02448	2.9
113.02411	2.2
119.03455	0.6
125.02416	1.1
152.99615	1.3
161.04495	1.6
164.98550	0.9
166.87054	0.6
171.10205	0.6
183.13849	0.8
191.18053	0.9
209.15430	0.8
221.15427	1.0
225.00761	1.2
231.21207	3.2
235.08258	2.7
235.17021	49.5
236.17326	3.9
253.09280	16.2
254.09711	0.9
275.20142	77.1
276.20465	9.0
277.21756	1.9
287.23584	0.7
293.21222	100.0
294.21552	8.9
471.25598	0.7
507.21741	0.6
569.23718	0.9
615.20703	0.6
805.40765	4.0
806.41699	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.3
69.03453	0.7
70.72373	0.2
71.01364	0.7
71.51532	0.3
71.51909	0.3
73.02940	0.6
77.96819	0.2
79.95676	0.3
80.96487	0.3
85.02940	0.4
87.00882	0.3
89.02444	1.0
90.61134	0.3
93.03459	33.5
94.03786	1.1
95.30497	0.2
96.96021	0.8
96.96978	0.3
102.25661	0.2
103.04016	0.3
113.02444	0.3
128.32513	0.3
131.03473	0.5
137.02446	100.0
138.02768	4.1
149.04550	5.2
191.05623	0.9
211.09764	0.5
269.06656	22.2
270.07098	2.1
331.06573	0.3
504.56055	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.3
61.98830	3.5
67.74518	0.2
70.04152	0.3
71.29044	0.3
79.95734	31.2
80.95646	0.2
83.72940	0.2
87.29710	0.2
89.20130	0.2
91.19339	0.2
96.96006	0.9
135.04529	4.2
138.91435	0.3
152.40974	0.3
163.04001	45.4
163.84683	0.3
164.04349	2.4
177.05600	0.4
178.06342	51.5
179.06694	3.3
187.60992	0.3
191.05557	1.5
193.08688	48.9
194.09012	3.0
196.18982	0.3
258.01862	1.6
259.02710	0.9
273.04364	100.0
274.04706	6.7
314.28949	0.4
419.55801	0.3
626.44153	0.3
679.64136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
70.82695	49.7
70.83040	21.5
81.80819	26.1
111.70202	24.9
124.57778	27.0
226.19403	27.7
277.21808	53.5
321.76538	24.6
376.28702	23.7
484.05038	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	809.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	0.4
59.01366	1.7
61.98831	6.2
63.76430	0.5
71.01373	0.5
71.52255	0.7
78.78080	0.4
78.95867	0.7
89.94646	0.4
104.03518	0.8
107.36127	0.5
110.40800	0.4
113.09722	1.5
128.73627	0.4
134.89426	1.1
138.72632	0.4
152.99626	0.7
160.56247	0.4
179.14430	0.5
181.12318	0.6
195.12076	0.6
195.13901	12.9
196.14195	1.0
206.28822	0.5
209.11746	0.6
219.13435	0.4
253.09232	0.4
277.21719	15.8
278.22113	1.6
295.22775	100.0
296.23129	10.8
448.34348	0.4
554.75018	0.4
637.26569	1.1
809.41180	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02047	0.6
59.01381	7.1
59.31957	0.6
61.98830	26.0
69.66085	0.6
70.53727	1.1
70.54102	1.4
71.01383	3.5
71.05016	19.0
72.05336	0.8
73.02937	1.2
73.23015	0.7
78.95909	1.1
79.95729	0.9
80.96522	2.8
81.43814	0.6
83.04986	0.8
85.02934	0.8
87.00837	1.0
88.04427	0.7
89.02423	2.7
94.98074	0.8
97.06601	5.8
98.06960	0.7
101.02421	4.5
113.02443	2.2
116.92837	2.7
119.03473	0.7
137.09769	0.8
149.73418	0.7
161.04565	1.9
163.14891	0.9
181.12364	0.9
207.03024	0.8
207.13919	2.3
208.14452	0.7
217.16013	1.8
219.13875	3.8
225.00610	0.7
228.74152	0.7
231.21149	1.7
235.08308	3.6
235.17018	25.9
236.17319	1.8
247.20621	1.0
253.09279	13.2
254.34190	0.7
273.18674	0.9
275.20135	38.5
276.20496	3.5
277.21609	2.1
289.18066	1.4
291.19650	100.0
292.19971	10.8
293.21216	46.6
294.21573	5.0
299.04471	1.0
509.27991	0.9
527.28583	4.0
528.28955	1.1
666.32764	0.8
759.40643	0.8
803.40576	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	804.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98527	0.2
62.99267	0.1
63.99254	0.2
65.18531	0.1
69.89973	0.5
71.01382	0.4
73.83917	0.1
76.51138	0.1
78.98591	0.3
79.95747	0.6
80.96516	3.3
85.02979	0.2
87.00872	0.1
94.98096	0.9
113.71835	0.1
122.97606	0.2
125.04003	0.1
127.04091	0.1
148.99203	0.3
152.98640	0.2
157.36604	0.1
164.98680	0.5
170.79260	0.1
206.99753	0.1
225.00755	0.9
250.11476	0.1
279.46359	0.1
299.28433	0.1
316.99829	0.1
381.70212	0.1
401.53064	0.1
761.40063	0.1
762.03754	0.1
778.74530	0.2
804.39136	1.9
805.40399	3.0
805.54187	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.9
67.01904	0.4
69.43240	0.2
70.65359	0.3
70.65694	0.4
71.01393	0.5
73.02931	0.3
83.01386	0.3
86.48764	0.2
87.54444	0.2
89.30746	0.2
93.03462	0.4
99.04520	7.1
101.02450	0.3
101.29976	0.2
103.05357	0.2
105.07112	0.3
107.05048	0.3
119.05042	0.4
121.02934	0.8
121.06601	0.2
122.03793	0.4
124.78745	0.2
131.05008	0.3
133.06586	0.2
143.05051	0.5
144.05830	0.4
145.06577	0.3
147.04543	1.6
147.08179	0.6
148.05304	100.0
149.05623	5.5
157.06570	0.6
159.08173	2.1
161.06105	0.2
163.07646	97.2
164.07968	5.6
169.06714	0.2
170.07338	0.2
171.04475	0.3
171.08131	0.7
175.07640	0.5
177.05609	0.5
183.08136	0.5
185.06039	0.5
185.09625	0.3
186.06909	0.4
187.07579	0.4
198.06851	0.6
201.05499	0.4
201.09177	1.9
203.05455	0.4
203.07132	1.2
213.09247	1.7
215.07156	0.7
219.10168	0.3
229.08592	0.6
231.10213	2.5
232.10568	0.3
245.08168	4.5
246.08545	0.4
249.11281	0.5
257.08191	2.3
263.09067	0.3
275.09213	3.4
276.09683	0.2
293.10333	0.7
367.13870	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	5.1
61.86276	3.3
61.98822	9.8
62.02203	3.9
66.11254	4.6
68.78156	3.7
71.01382	5.7
71.14703	8.1
78.95900	96.5
79.95724	5.8
80.96517	7.3
83.05028	4.4
91.94160	4.3
96.96954	8.3
99.92540	3.7
109.06566	12.1
110.98463	4.1
127.11211	4.5
143.10780	4.5
152.98387	6.4
152.99586	100.0
171.00630	16.1
171.10277	82.1
199.09706	14.7
207.10216	8.7
209.02148	8.3
209.11816	26.2
225.11214	10.1
227.03217	10.3
227.12852	8.8
245.04385	4.3
253.21652	24.3
255.23289	5.5
399.14206	34.3
427.13583	9.2
453.15088	12.8
455.16879	25.0
471.16525	19.1
569.23541	12.1
635.35657	15.2
707.37183	6.8
805.45056	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	805.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.3
59.01112	0.3
59.01381	3.2
61.98832	3.6
66.60647	0.2
69.03452	0.4
71.01382	2.5
72.90128	0.2
73.02938	0.4
75.02626	0.2
78.95911	0.4
80.96507	0.7
82.95410	0.2
83.01379	0.4
83.05007	0.2
85.02937	0.7
87.00845	0.5
89.02453	2.0
94.98071	0.3
95.05016	0.2
97.03019	0.2
101.02437	2.5
107.25285	0.2
111.08144	0.3
113.02439	1.3
113.09755	0.4
116.92880	0.3
119.03503	0.7
121.10258	0.2
143.03436	0.3
152.99557	0.6
161.04544	1.4
167.10799	0.2
171.10229	1.1
177.12891	0.4
179.05603	0.6
179.10843	0.3
179.14394	0.7
181.12387	0.2
195.13892	8.8
196.14442	0.7
205.12271	0.7
205.15926	0.3
211.13379	0.5
223.13391	5.6
224.13947	0.4
228.13615	0.7
229.32071	0.2
231.21275	0.3
235.08243	0.9
253.09288	16.0
254.09598	0.8
256.13205	1.0
265.21680	0.3
275.20142	6.3
276.20520	0.7
277.21655	0.6
291.19724	0.3
293.21222	100.0
294.21545	10.1
300.15887	0.2
309.21002	0.3
338.74661	0.2
429.26230	0.3
492.22171	0.3
529.30280	0.8
530.30701	0.3
569.23444	0.3
569.42218	1.2
570.42352	0.3
654.43439	0.2
805.42163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30627	0.1
59.01343	0.1
60.30420	0.1
61.98827	100.0
62.98530	0.2
63.35856	0.1
64.11325	0.1
65.92877	0.1
69.92572	0.2
69.92957	0.2
78.91904	0.3
79.95755	0.2
80.96512	0.9
94.98095	0.3
96.53941	0.1
164.98636	0.2
225.00774	0.3
228.45284	0.1
247.32915	0.1
277.21762	0.5
304.94211	0.1
503.75940	0.1
691.07019	0.1
718.59863	0.1
803.38593	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
60.92094	0.1
61.98829	100.0
62.98532	0.2
70.58060	0.5
71.01356	0.2
78.95912	0.2
80.96526	0.8
91.16644	0.1
94.98125	0.2
95.20341	0.1
105.94232	0.2
152.99637	0.2
162.11917	0.1
171.10327	0.4
196.44772	0.2
211.13525	0.3
212.13820	0.2
221.86064	0.1
225.00601	0.2
249.59496	0.2
267.66736	0.2
277.21780	1.2
278.22144	0.4
289.18127	0.4
295.02432	0.2
307.19388	0.2
600.69269	0.2
802.41492	0.3
803.42664	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
58.00573	0.2
59.01377	100.0
60.01722	1.2
69.91350	0.7
71.01379	8.1
72.99313	0.4
73.02943	3.2
83.01383	1.7
85.02949	4.6
87.00854	0.4
89.02451	0.7
92.08304	0.2
95.01388	0.9
96.96014	0.2
99.00866	1.4
101.02439	7.8
102.02774	0.2
113.02444	3.5
114.59647	0.2
125.02452	0.3
125.30715	0.2
129.01955	0.2
143.03545	0.4
146.47655	0.2
149.04475	0.2
153.12878	0.3
157.27065	0.2
159.02943	1.1
161.04547	6.0
161.05894	0.3
162.04857	0.3
183.45294	0.2
191.05653	0.3
236.50513	0.2
286.92719	0.2
294.23123	0.2
298.93668	0.2
315.18094	14.3
316.18469	1.5
317.69122	0.2
357.19159	16.4
358.19513	1.8
371.75430	0.2
401.17941	0.9
492.44742	0.2
546.61414	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25745	0.4
57.03445	0.8
57.14881	0.4
59.01381	100.0
60.01712	1.2
70.95441	0.7
71.01379	11.2
73.02943	3.6
83.01408	1.2
85.02964	5.1
89.02460	2.1
95.01398	0.7
96.96028	1.0
97.02936	0.6
99.00913	1.6
101.02445	6.1
109.16183	0.4
110.50517	0.4
113.02446	3.8
119.03542	1.1
122.39458	0.5
159.03052	0.7
161.04543	4.0
171.38515	0.4
191.05695	0.5
213.10406	0.6
221.30234	0.4
238.92781	0.4
285.12622	0.9
315.18100	10.0
316.18594	0.9
357.19226	3.0
471.40909	0.5
771.28485	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	803.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	0.9
59.01378	100.0
60.01709	1.2
67.53868	0.5
69.03455	1.0
71.01382	25.5
71.52413	0.7
72.99313	1.2
73.02947	31.7
75.00873	0.8
78.11565	0.5
79.83585	0.5
83.01385	8.9
85.02940	4.0
87.00847	0.5
89.02436	7.3
95.01392	1.2
96.96024	1.3
97.02950	0.8
99.00877	1.1
99.04503	0.7
101.02441	31.5
102.02818	0.8
113.02442	12.5
119.03490	4.0
125.02412	0.8
131.03496	3.3
143.03494	3.7
145.94373	0.5
146.04613	0.8
149.04559	8.0
155.03523	1.3
161.04565	13.8
171.10236	0.6
173.04651	0.5
179.05719	0.6
191.05608	3.6
203.05644	2.0
210.22733	0.5
221.06628	2.9
265.62787	0.5
315.18204	1.7
357.19363	1.7
597.47070	0.6
644.19794	0.6
808.11914	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.0
59.01383	13.5
71.01383	19.1
71.51425	0.7
72.99290	0.8
73.02947	6.5
78.79479	0.4
83.01387	4.0
85.02950	9.3
86.00058	0.6
87.00869	0.9
89.02445	4.0
95.01401	1.8
96.96007	0.7
97.02945	0.7
99.00884	2.3
101.02448	16.9
113.02448	7.5
116.92890	0.4
119.03506	1.1
123.08168	0.7
129.01906	0.5
133.01932	0.4
138.05579	0.9
143.03499	0.5
150.95523	0.5
159.02922	0.8
161.04585	2.4
177.03468	0.8
179.09109	0.4
181.05504	0.4
191.05602	0.9
191.98131	0.5
193.05005	0.6
195.13824	2.2
221.11716	0.6
239.12912	0.5
291.23190	0.5
391.42990	0.5
401.18149	100.0
402.18445	10.6
411.25000	0.4
413.86685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
59.01378	100.0
60.01705	1.3
61.98833	0.7
62.19304	0.4
67.01910	0.6
69.19985	4.6
69.95065	0.4
71.01381	8.4
73.02949	2.8
83.01398	1.0
85.02946	5.0
87.00895	0.7
89.02447	3.7
93.03459	1.6
98.19881	1.1
99.00902	1.0
101.02434	5.6
105.23441	0.4
109.02927	0.6
111.04578	0.4
113.02451	3.8
113.29076	0.4
119.03518	0.9
125.02554	0.4
135.04556	1.1
143.03465	0.6
150.71906	0.4
161.02409	0.6
161.04509	2.6
173.04584	1.6
191.05597	8.7
294.05466	0.6
295.06119	0.7
313.16513	7.2
314.17264	0.5
315.18164	3.0
351.07147	0.4
355.17548	2.1
357.19214	1.8
512.09827	1.2
570.92346	0.6
609.16028	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.6
59.01377	100.0
60.01723	1.2
61.39579	0.6
64.09164	0.5
69.40210	1.7
69.40635	1.8
71.01379	8.1
73.02944	3.6
74.23920	0.5
76.88215	0.4
78.07737	0.5
80.96517	1.3
83.01406	1.6
85.02953	3.7
89.02438	1.0
95.01402	1.0
97.02978	0.5
98.19894	0.5
99.00887	1.2
101.02435	7.1
103.66051	0.4
113.02444	3.6
125.02427	0.5
136.99106	0.5
143.03561	0.7
159.03078	0.5
161.04556	4.5
165.09180	0.8
173.04611	0.6
175.63721	0.5
186.62982	0.4
191.05675	2.2
194.38782	0.4
231.76323	0.4
313.16556	4.0
315.18088	6.9
316.18701	0.5
355.17603	3.7
356.18130	0.8
357.19180	7.8
358.19424	1.1
394.37296	0.5
591.76007	0.4
669.79474	0.5
801.36224	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
61.98829	100.0
62.98526	0.2
71.51766	0.2
79.95739	0.1
80.96524	0.2
88.98798	0.1
95.86449	0.1
96.96024	0.1
99.04526	1.1
100.04874	0.2
133.84251	0.1
166.02444	0.1
191.05623	0.2
231.52654	0.1
265.83817	0.1
267.66385	0.1
317.21127	0.1
339.34561	0.1
346.69675	0.1
801.37506	0.2
805.59393	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01717	1.1
69.40482	1.0
69.40898	2.4
71.01379	7.8
73.02946	2.8
80.96509	1.1
83.01393	0.8
85.02938	4.5
89.02446	1.0
93.03477	0.6
99.00888	1.5
99.04614	0.5
101.02435	6.4
103.57821	0.5
112.63527	0.5
113.02451	3.3
159.02959	0.8
161.04550	4.3
172.71223	0.4
191.05649	1.2
248.93600	0.6
313.16547	4.7
315.18130	6.0
316.18121	0.5
320.16769	0.4
355.17639	4.3
356.18262	0.8
357.19165	6.7
358.19467	0.8
378.21982	0.4
624.82397	0.5
704.15692	0.5
801.36401	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	16.0
61.98834	4.9
66.20107	0.7
67.96564	0.6
71.01385	5.8
71.51626	1.2
73.02937	1.1
78.95915	2.0
78.98593	3.4
79.95737	5.4
80.96515	26.9
82.66319	0.8
82.96091	1.2
85.02967	1.3
87.00877	1.9
89.02445	1.5
94.98087	4.9
101.02440	3.2
113.02433	1.2
122.97627	1.0
125.02405	1.2
134.97585	1.7
148.99155	2.5
151.51071	0.7
152.98611	2.0
161.04613	1.7
164.98602	5.1
183.13908	5.6
193.12265	0.8
206.99658	1.2
207.10321	0.8
211.13385	100.0
212.13770	6.1
225.00748	7.6
235.08269	2.2
253.09315	6.3
255.23373	1.6
259.76843	1.0
277.21713	66.3
278.22086	7.1
384.54849	0.9
429.21365	1.6
447.22394	8.2
449.27399	0.9
479.39804	0.8
709.38660	5.7
710.38513	1.5
781.40442	7.4
782.40967	1.8
799.41901	18.2
800.41632	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	799.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	7.7
61.98827	8.4
63.08811	3.1
66.81709	3.1
71.01376	9.0
71.51453	4.9
71.51875	3.4
78.98570	5.8
79.95725	8.5
80.96089	4.3
80.96520	64.6
81.03461	4.7
81.95329	3.0
82.96085	24.7
82.96899	4.0
83.05029	5.3
85.02956	5.8
87.00883	3.5
93.03450	3.1
94.98073	12.1
95.01405	3.7
96.97646	4.9
99.04516	51.4
106.98044	3.9
109.06581	5.9
111.04515	11.0
121.06577	2.7
123.04531	14.9
123.05270	2.9
125.02386	6.7
133.06606	4.1
148.99120	3.3
150.98669	2.6
164.98595	7.2
165.05518	3.7
206.99655	3.2
225.00745	8.9
226.01071	3.4
227.00421	6.9
250.21095	2.9
255.23232	3.6
345.78421	2.7
358.43579	3.0
377.34378	13.1
421.33188	9.0
422.33099	3.5
422.59207	2.7
423.31058	8.5
480.20508	3.0
555.39972	2.9
575.86993	3.0
699.44672	12.3
799.47809	100.0
800.51300	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61956	3.4
59.01376	66.8
61.98536	6.5
61.98831	85.0
63.70366	3.7
63.73848	3.4
65.20274	3.3
66.36699	3.4
71.01377	17.5
71.52231	3.3
72.99308	5.2
78.95927	8.1
79.95723	18.8
80.96514	48.9
82.56052	3.5
85.02934	4.8
87.00873	6.0
92.27381	3.9
93.03449	3.8
94.98079	11.4
99.04517	12.9
101.02438	9.7
109.06557	3.7
113.02416	4.1
127.11270	3.3
131.54276	3.7
134.97565	4.0
148.99110	4.9
151.39838	4.2
163.11169	3.7
163.60574	3.9
164.98633	5.7
171.10248	36.2
185.67690	3.7
197.95815	3.7
199.13271	4.9
201.11308	32.6
207.10236	16.4
215.12929	3.5
216.66904	3.5
225.00752	13.1
225.11371	21.5
227.12982	6.5
229.89755	4.0
235.08286	7.5
253.09384	18.6
277.21707	100.0
278.22012	15.4
279.23254	4.2
293.21292	8.6
407.18558	3.8
420.44250	4.1
461.20285	5.6
550.37170	3.8
799.39087	48.6
800.39557	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	799.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	6.2
58.34700	0.9
59.01365	2.0
61.98829	14.8
63.96214	1.4
69.91963	5.4
71.01376	4.8
72.75508	1.0
73.02943	1.4
75.00870	1.9
77.83619	1.1
78.95908	22.8
78.98578	2.6
79.95736	7.8
80.96519	41.4
81.03457	8.5
83.01397	1.6
83.05020	1.7
85.02948	3.6
87.00858	2.2
93.03474	1.5
94.98079	7.4
95.05005	1.3
95.41938	0.9
96.96954	4.7
97.02921	1.2
99.03919	2.1
99.04515	26.3
101.02407	2.0
106.98081	2.2
107.04983	1.4
109.02876	1.5
109.06623	2.4
111.04506	2.5
119.05081	1.1
122.97536	2.0
123.04482	1.2
125.02460	6.6
127.04065	1.7
127.11304	1.4
133.06609	2.7
134.97565	2.1
135.04515	1.9
143.04942	1.2
146.21707	1.0
147.08197	1.0
148.99110	4.1
149.06082	1.3
152.98558	3.4
152.99594	3.8
157.06607	1.2
159.08092	1.4
161.06087	1.4
164.98613	7.3
171.08084	1.6
183.08115	4.4
197.09595	1.5
199.11362	1.4
201.11322	17.4
202.11659	1.3
206.99617	1.2
209.11819	10.7
211.07413	1.0
211.11301	1.6
223.00182	1.1
223.11281	1.5
225.00714	12.2
225.09232	4.2
227.12907	1.6
237.09216	1.4
241.01219	10.8
241.12514	1.4
243.10223	2.5
255.23335	12.3
256.23444	1.6
265.12408	1.2
283.13504	1.4
287.09122	1.1
289.46439	1.3
337.30765	1.2
387.25107	1.1
388.25836	2.0
423.31183	2.7
437.32590	3.2
474.10391	1.1
525.16833	1.4
699.40936	3.6
700.41687	1.1
709.38031	2.1
740.40662	1.2
781.40558	11.7
782.40515	3.6
799.44208	100.0
800.44806	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4206
Annotation	Planktocyclin
Peak:m/z	Relative Intensity
57.03441	1.4
59.01376	2.0
59.02259	0.7
61.98832	10.9
63.96222	1.4
68.99561	2.5
71.01382	5.9
73.02934	1.8
75.00867	5.0
76.44871	0.8
78.95903	44.7
78.98589	4.9
79.95732	11.2
80.96519	59.9
81.03436	2.3
83.01396	1.0
83.05016	2.3
85.02972	1.7
87.00872	2.9
94.98093	14.8
96.96960	10.0
99.04492	1.5
101.02422	2.8
106.98064	2.8
110.10306	0.8
112.98557	1.1
116.92860	4.7
117.89447	0.8
122.97578	2.5
125.02431	4.3
125.09758	1.9
127.11269	3.0
134.97552	3.7
136.99158	1.2
148.99153	5.2
152.98563	3.6
152.99576	9.8
155.10864	1.3
163.11290	1.5
164.98627	12.0
165.09219	1.1
171.10231	1.4
193.57584	0.7
199.09749	1.1
201.11330	33.9
202.11626	1.6
206.99677	2.1
209.11823	28.7
210.12157	1.9
223.00095	2.7
224.98683	1.6
225.00739	18.9
226.00919	1.5
227.12866	1.8
240.98770	1.2
241.01195	20.4
242.01627	1.2
255.20654	1.5
255.23280	25.8
256.23590	2.5
259.02225	2.1
277.21640	2.4
297.03928	0.9
334.56479	1.0
381.13071	0.9
419.95093	0.9
443.89594	1.1
525.16455	1.8
537.27911	1.4
612.63477	0.9
686.25635	0.9
709.38409	6.3
710.38605	1.5
781.40558	19.8
782.40790	4.8
799.42023	100.0
800.42401	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	799.4155
Annotation	Planktocyclin
Peak:m/z	Relative Intensity
59.01357	2.9
61.98831	40.6
63.96232	1.9
64.94333	1.0
69.03448	1.2
69.35966	6.9
71.01376	10.3
73.02928	2.4
78.95905	3.7
78.98591	8.9
79.95732	16.8
80.96517	100.0
81.03445	1.7
83.01366	1.2
85.02953	3.4
85.25317	0.9
87.00872	4.0
94.98087	23.1
96.96011	2.3
97.02956	1.3
99.04502	1.2
101.02452	3.0
103.74601	1.0
106.25021	1.0
106.98104	4.5
113.02497	1.0
122.97559	4.5
125.02473	4.6
127.03987	1.2
130.08260	1.0
134.97586	7.1
136.99130	2.3
148.99133	10.8
152.98604	7.4
152.99597	1.1
154.39497	1.0
164.98625	19.1
171.10243	1.4
195.08350	1.0
203.03818	0.9
206.99641	3.1
209.11870	1.0
225.00726	28.2
241.01163	1.0
255.23260	2.2
277.21634	2.0
318.88275	1.0
399.25372	42.1
399.81720	1.2
400.25610	7.8
415.18137	1.1
437.32355	1.3
453.14346	1.2
519.93152	1.0
525.16376	2.9
537.27167	2.3
664.57355	1.1
699.39648	1.1
709.38403	18.7
710.39130	5.0
781.40448	29.5
781.54865	1.5
782.40631	6.6
799.41455	69.6
800.41815	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	797.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	15.9
64.10103	0.9
71.01396	2.2
78.95911	15.0
79.95738	1.4
80.96526	10.3
81.83462	0.9
85.02969	0.7
87.04513	2.0
94.98108	1.3
96.96986	2.4
99.04556	1.3
109.06634	1.1
116.46087	0.8
140.50195	0.8
143.64085	0.7
148.99181	0.9
152.99637	2.0
158.79041	0.7
163.11295	1.1
164.98717	0.9
181.12453	1.1
207.10271	1.5
223.00301	0.9
225.00797	2.3
225.11349	2.5
241.01233	5.3
243.12505	1.7
255.23283	3.7
299.20291	1.0
387.25403	100.0
388.25729	14.6
779.38409	4.0
780.40387	1.2
797.50549	95.0
798.50916	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.4
58.00590	0.3
58.69714	0.2
59.01379	100.0
60.01711	1.1
71.01381	7.9
72.99347	0.3
73.02950	3.2
80.14577	0.2
83.01363	1.3
85.02948	3.1
89.02443	3.7
90.00140	0.2
93.60262	0.2
95.01411	0.5
96.96050	0.4
97.02948	0.3
98.20764	0.5
99.00898	0.7
100.20453	0.2
101.02441	6.1
101.03103	0.4
113.02447	3.4
119.03521	1.0
131.03462	0.4
135.04593	0.4
143.03526	0.8
149.04544	0.4
159.03012	0.4
161.04529	2.7
166.87178	0.3
179.05591	0.5
191.05635	0.8
313.16577	8.1
314.16995	1.0
355.17627	4.2
356.18048	0.5
482.32504	0.2
592.18549	0.2
629.10461	0.3
659.32214	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82626	1.0
59.01377	100.0
60.01702	2.0
64.94032	0.9
69.03447	1.1
69.52734	7.0
71.01379	32.8
72.99306	1.1
73.02945	46.8
75.00841	1.1
75.94403	0.8
81.53922	0.9
83.01388	13.9
85.02945	4.3
87.00871	1.1
89.02451	7.9
95.01395	1.1
96.95986	4.3
97.02942	1.2
98.19904	1.7
99.04522	13.4
101.02441	42.7
101.81214	0.9
102.02757	1.0
104.43745	0.9
113.02443	14.9
118.42415	0.9
119.03447	3.1
125.02398	1.5
131.03479	4.1
135.04486	2.2
143.03490	3.8
149.04559	5.5
155.03494	1.3
161.04538	13.0
191.05637	6.8
203.05643	1.4
221.06609	3.2
248.49536	1.1
256.17068	0.9
313.16342	1.1
355.17535	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.3
79.95736	26.6
80.96527	0.3
82.78641	0.3
85.02981	0.3
93.03488	0.4
96.96024	0.7
127.04108	0.3
135.04509	3.1
163.04004	40.5
164.04340	2.4
164.77835	0.3
178.06345	45.2
179.06683	2.9
191.05605	3.8
193.08690	42.1
194.09033	2.4
209.32417	0.3
258.01782	1.6
265.50565	0.3
273.04376	100.0
274.04718	6.8
305.01010	0.8
333.00336	0.5
334.01163	0.6
335.01868	0.5
347.89725	0.3
431.07532	1.4
783.46759	0.3
797.20154	0.7
798.19427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70370	0.3
59.01381	0.9
59.34173	0.3
67.01897	0.4
69.97688	1.7
71.01385	0.4
76.11320	0.3
76.74770	0.4
79.95737	27.5
81.95318	0.9
85.02949	2.9
87.00884	0.8
93.03452	1.8
96.96021	1.6
117.22829	0.4
127.04022	0.7
135.04510	3.5
163.04007	42.1
163.13889	0.4
164.04350	3.2
170.76343	0.3
173.04535	0.8
178.06345	48.2
179.06685	3.8
191.05609	18.7
191.07391	0.5
192.06013	1.0
193.08691	44.6
194.09030	3.7
225.05702	0.4
258.02048	1.6
261.01981	0.5
273.04376	100.0
274.04681	9.3
275.04068	4.4
305.00845	3.1
306.01602	1.0
309.04089	1.1
333.00433	2.2
334.01028	1.4
335.01920	1.2
360.97580	0.3
431.07709	5.4
432.07959	1.1
483.09216	0.4
700.12982	1.1
797.19238	3.7
798.19415	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	2.7
59.01358	1.4
61.27464	0.9
61.98824	2.2
62.99712	0.9
63.96249	2.3
69.03452	2.7
69.59144	2.1
69.59555	5.3
69.66573	0.9
71.01383	8.4
73.02961	1.8
77.22995	1.0
78.95901	1.8
78.98582	8.0
79.95741	16.3
80.96518	79.0
81.03445	1.5
83.01341	0.9
85.02929	2.8
87.00871	2.0
94.97576	1.4
94.98098	15.6
95.01392	1.4
97.02961	2.4
99.04523	31.0
101.02453	2.4
105.07100	2.3
106.98076	4.4
107.05002	1.5
109.02946	1.9
111.04514	2.9
122.97559	3.8
123.04456	1.3
125.02416	3.9
131.05011	1.4
133.06523	1.4
134.97562	5.5
136.99147	2.5
148.99147	7.0
149.06078	1.4
152.98639	5.1
154.16238	1.0
157.06532	1.4
159.08163	1.9
164.98616	11.5
173.06029	1.5
173.09602	1.2
183.08018	2.1
185.06061	1.9
197.05992	1.2
197.09904	1.1
199.11237	2.0
201.09175	2.6
206.99654	3.1
211.11296	1.5
213.96085	1.1
225.00731	20.0
225.09113	1.5
237.08913	1.4
243.10188	2.6
255.23257	1.3
287.09210	1.9
337.31116	2.7
377.34332	9.9
421.33289	16.8
422.33282	2.3
541.19330	1.5
561.05383	1.2
697.42786	6.8
698.43213	3.0
728.77539	1.0
797.45538	100.0
798.46619	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.41844	1.6
61.98831	6.4
66.44637	1.5
71.01374	2.2
71.51859	2.4
78.95902	42.1
79.95745	5.4
80.96525	10.9
82.96114	2.6
83.97299	1.9
96.96957	3.0
99.08163	2.9
110.04568	1.8
115.88913	1.6
118.53503	2.3
122.97621	3.8
131.52879	1.7
139.11269	4.2
152.99585	34.1
171.00685	5.1
171.10265	20.5
171.32532	1.7
175.95332	1.7
183.13853	2.6
199.82840	2.0
211.13411	14.5
225.00737	2.6
229.14516	5.2
255.23270	100.0
256.23663	9.7
329.23288	20.9
366.03513	1.9
465.22946	4.4
539.26337	2.7
557.27405	2.3
795.50671	98.1
796.51160	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	797.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.6
61.98812	1.2
65.81053	0.9
71.01373	4.2
71.52400	1.8
72.67751	0.9
73.02938	4.3
73.22460	1.0
79.95734	71.6
80.96507	1.2
83.01395	0.9
85.02963	1.9
89.02425	3.0
93.03443	1.6
95.95234	26.3
96.96011	100.0
98.95589	3.0
101.02425	3.5
110.97577	6.3
113.02497	1.4
121.02954	9.1
122.97545	1.3
131.35451	0.9
135.04524	4.1
136.01646	5.8
137.02454	2.8
141.95731	3.3
146.03717	3.2
149.99934	3.8
150.03255	1.2
151.04021	6.4
161.05978	1.1
164.04721	3.9
165.05502	1.0
177.05640	1.0
179.07079	2.7
191.05602	8.3
191.52394	0.9
192.05946	1.5
259.02777	1.3
343.11740	2.0
357.13239	1.2
409.09616	3.5
423.07626	3.3
437.09058	7.4
438.09882	5.0
451.10580	1.9
465.12109	1.0
546.98407	1.2
797.23224	58.8
798.23450	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	797.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
59.01373	1.4
60.99307	1.4
60.99577	0.3
66.29938	0.2
67.01886	3.6
69.03452	1.0
70.40127	0.3
70.82270	0.6
71.01369	1.5
73.02947	0.3
79.95731	0.5
80.03210	0.2
81.03450	0.7
83.05028	0.9
85.02940	4.1
87.00869	6.4
93.03456	26.7
94.03788	1.1
96.96011	0.8
99.00913	0.3
99.04508	0.4
109.02940	0.7
111.04520	3.8
113.02466	0.5
115.04010	0.3
117.03481	0.7
127.03972	1.2
129.01926	0.4
134.02728	0.5
134.03738	8.0
135.04082	0.3
136.63499	0.2
137.02412	0.4
142.06517	0.4
143.03484	0.3
149.06064	0.4
155.03470	0.8
171.02988	0.5
173.04539	9.4
175.03932	0.4
185.83746	0.2
191.05603	100.0
192.05942	3.9
193.05040	4.6
194.05408	0.4
219.98347	0.2
366.12051	0.6
367.10300	34.8
368.10614	3.8
476.12143	0.3
797.21875	0.3
815.32776	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.3
59.01369	0.9
61.98829	11.0
67.01891	0.5
71.41209	0.5
80.96497	0.4
89.75482	0.3
93.03518	0.3
96.95972	0.4
99.04517	100.0
100.04852	3.0
114.21067	0.3
119.05018	0.7
133.06569	0.3
143.05022	0.6
145.06650	0.3
147.04555	0.5
149.06099	0.4
157.06580	0.5
159.04468	0.3
159.08151	1.4
171.08145	1.0
177.05498	0.3
183.08150	0.7
185.06029	0.7
186.06851	0.3
187.07669	0.5
191.05602	0.6
198.06900	0.6
201.09186	1.0
203.40981	0.3
211.13217	0.3
213.09172	1.7
215.07115	0.7
229.08647	0.8
231.10237	4.8
239.07123	0.3
245.08162	3.1
248.14043	0.5
254.00789	0.3
257.08127	1.9
275.09268	3.3
299.09439	0.3
315.19540	0.6
475.19763	5.4
476.20157	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40880	0.3
57.26085	0.2
59.01382	2.2
61.98815	0.3
69.23679	2.8
71.01373	0.5
79.95737	7.7
89.02416	0.3
96.96012	100.0
97.95939	0.5
110.97589	0.9
121.18706	0.2
136.01662	0.9
143.93129	0.3
146.34402	0.3
151.04034	2.3
165.05548	0.3
170.92407	0.3
173.04466	0.3
177.05577	0.3
181.05000	0.3
190.06343	0.3
191.05573	1.1
230.99565	0.3
261.05438	0.4
283.09891	0.6
296.06906	2.3
297.11124	0.4
311.09265	3.9
312.09586	0.3
326.11588	4.6
327.11917	0.5
334.27014	0.3
343.08472	0.6
368.66736	0.3
383.88541	0.3
387.14218	0.4
449.09122	0.8
468.32434	0.3
573.98718	0.3
633.16510	2.3
634.17664	0.5
795.21735	24.0
796.21991	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	795.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.4
57.36216	0.5
57.84422	0.5
59.01378	100.0
60.01719	1.5
61.98863	0.7
70.34361	0.4
71.01377	8.1
71.52600	0.6
72.99342	0.5
73.02950	3.3
73.44505	0.4
83.01383	1.2
85.02952	12.0
87.00877	0.5
88.90062	0.4
89.02438	0.8
95.01405	1.0
96.96026	1.8
99.00903	1.1
101.02438	5.8
111.37038	0.5
113.02461	4.5
126.10086	0.5
129.74756	0.4
159.02965	0.7
161.04527	4.1
191.05608	1.0
203.10808	1.4
245.08304	0.7
247.09698	2.3
266.21716	0.5
277.10864	1.5
313.16602	6.1
314.16870	0.6
315.18033	3.8
355.17621	4.4
357.19070	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	795.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.3
61.98775	0.3
69.97614	0.7
69.98019	1.0
79.95732	27.1
80.96515	0.4
96.96000	1.3
135.04533	3.5
149.06024	0.4
161.06084	0.3
163.03999	44.5
164.04332	2.1
164.78644	0.3
178.06337	48.3
179.06679	2.8
191.05635	0.8
193.08679	47.0
194.09013	2.8
258.01907	1.6
273.04358	100.0
274.04669	6.7
275.04175	1.0
473.44162	0.3
604.16010	0.3
699.37787	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	32.6
61.98832	19.1
70.37403	1.0
70.37790	1.6
75.19421	0.6
78.95900	17.3
85.02962	0.6
93.03471	0.8
96.96012	0.9
99.04502	1.3
116.92848	1.7
117.92963	0.7
119.05028	1.8
134.96613	0.8
135.04408	0.7
152.99536	3.8
168.04338	2.2
177.12891	1.4
191.05614	2.3
205.14180	1.1
205.15991	15.1
206.16304	0.9
221.11885	0.8
224.06935	7.0
233.19102	8.4
242.08025	2.1
277.18082	100.0
277.21695	62.0
278.18442	10.4
278.22009	6.8
502.29404	90.9
503.29672	14.6
735.43164	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70028	0.3
59.01374	1.7
61.98837	0.5
65.32374	0.3
70.20321	1.0
71.01345	0.3
71.13662	0.3
78.16547	0.3
79.95739	7.5
80.96520	0.4
85.02939	0.4
87.00909	0.4
87.22693	0.3
88.09836	0.3
96.96011	100.0
97.95942	0.4
101.02431	0.5
108.13084	0.3
110.97585	1.1
135.04544	0.4
136.01649	1.0
150.03268	0.4
151.03978	2.3
169.42998	0.3
191.05638	0.9
214.59451	0.3
252.07886	0.3
267.10339	0.4
268.07230	0.4
283.09793	0.6
296.06897	1.6
297.11502	0.7
311.09259	4.2
312.09653	0.5
326.11514	4.8
327.12015	0.6
343.08493	0.6
387.14410	0.4
449.08994	0.7
633.16425	2.6
634.16290	0.4
795.21704	26.6
796.22052	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	795.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40880	0.3
57.26085	0.2
59.01382	2.2
61.98815	0.3
69.23679	2.8
71.01373	0.5
79.95737	7.7
89.02416	0.3
96.96012	100.0
97.95939	0.5
110.97589	0.9
121.18706	0.2
136.01662	0.9
143.93129	0.3
146.34402	0.3
151.04034	2.3
165.05548	0.3
170.92407	0.3
173.04466	0.3
177.05577	0.3
181.05000	0.3
190.06343	0.3
191.05573	1.1
230.99565	0.3
261.05438	0.4
283.09891	0.6
296.06906	2.3
297.11124	0.4
311.09265	3.9
312.09586	0.3
326.11588	4.6
327.11917	0.5
334.27014	0.3
343.08472	0.6
368.66736	0.3
383.88541	0.3
387.14218	0.4
449.09122	0.8
468.32434	0.3
573.98718	0.3
633.16510	2.3
634.17664	0.5
795.21735	24.0
796.21991	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	793.543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93534	0.2
61.98829	100.0
69.16496	1.9
69.16919	0.7
71.01382	0.8
79.95735	2.2
80.13950	0.3
80.82904	0.2
80.96506	2.8
94.98074	1.3
95.69682	0.3
96.10196	0.2
113.02157	0.2
114.22551	0.2
116.83885	0.3
122.97585	6.1
124.97165	0.4
150.88641	0.2
152.98676	1.0
197.11821	0.2
293.00620	0.3
382.65054	0.3
526.20490	0.3
793.50128	0.8
794.47089	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	793.5431
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59311	0.1
61.98829	100.0
62.98533	0.2
69.96391	0.5
71.01386	0.2
78.33820	0.1
79.95730	0.7
80.96507	1.0
80.96887	0.1
94.98080	0.6
97.69933	0.1
100.68806	0.1
120.92329	0.1
122.97583	2.2
146.95360	0.1
152.98615	0.5
256.45496	0.1
476.57263	0.1
565.93707	0.1
730.54944	0.2
793.47473	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07335	3.0
58.00603	3.6
58.49219	3.0
59.01378	98.5
61.98820	13.0
62.05855	3.3
62.72915	2.8
68.99892	3.2
69.03477	5.9
71.01379	63.2
71.53981	4.4
73.02943	93.6
75.00846	3.3
77.00094	3.6
79.95729	3.7
81.03462	6.3
83.01378	22.9
85.02966	10.0
87.80749	3.4
91.28238	3.7
93.03464	5.9
96.96001	5.2
97.02916	4.3
97.70422	3.1
99.04510	17.5
101.02431	49.4
109.02937	4.0
111.04494	3.7
113.02448	12.1
122.03676	3.6
125.02462	7.2
127.04001	4.8
127.52444	3.3
143.03511	6.8
149.09717	3.4
155.03508	4.9
161.04553	8.2
167.10776	100.0
168.11180	4.6
174.98549	3.3
175.89758	4.4
175.99370	5.1
177.00124	15.4
181.12280	7.6
191.05603	20.0
191.10738	40.7
193.82635	3.6
194.12450	4.1
203.05638	9.9
209.11813	31.7
221.11801	6.7
233.11800	4.1
275.07349	6.4
277.10773	4.0
319.06369	8.0
386.06165	6.0
515.09882	9.5
793.21509	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	791.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18538	12.6
61.98830	70.2
70.18697	11.9
70.82011	29.1
78.95907	19.8
88.09057	11.1
103.64353	12.3
124.42015	15.0
124.70518	11.5
126.00288	12.3
168.42764	12.1
209.11812	77.6
209.40529	14.6
253.09329	14.9
277.21637	100.0
318.50800	13.5
362.45129	14.9
400.23767	12.3
578.90363	20.6
757.40070	17.3
791.43140	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	793.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99324	0.1
59.01376	0.2
61.98833	2.6
62.47934	0.1
66.26750	0.2
68.99559	0.2
71.01373	0.4
73.02946	8.1
75.00858	0.4
87.00873	0.2
98.19898	0.3
99.00867	1.5
99.04517	0.6
99.92587	10.3
100.92601	0.7
111.55465	0.1
112.98589	0.3
114.93413	0.5
115.00376	0.5
116.03558	0.2
116.92861	100.0
116.97226	1.2
117.01939	12.7
117.05612	0.2
117.92874	5.4
118.02283	0.2
133.59833	0.2
191.05670	0.2
232.09499	0.1
277.10907	0.2
277.21759	0.4
304.14032	0.2
397.13715	0.4
415.14639	0.2
436.83835	0.2
610.92487	0.2
693.78320	0.2
754.91187	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.4
60.17124	0.2
61.98824	4.1
71.01384	0.9
71.52872	0.4
73.02946	5.1
75.00874	0.4
80.96503	0.2
83.13836	0.2
85.02962	0.3
93.03423	0.4
94.51871	0.3
96.96037	0.3
99.00878	0.8
99.04515	2.7
99.92583	11.0
100.92607	0.7
114.93422	0.5
115.00364	0.9
116.92858	100.0
116.97241	4.5
117.01931	8.0
117.02734	0.5
117.86279	0.2
117.92873	5.3
171.08191	0.3
191.05603	1.2
213.09258	0.4
233.11749	0.4
247.09712	0.3
253.09386	0.4
277.10934	0.3
473.37927	0.2
558.51855	0.3
809.86060	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.1
59.01387	2.7
60.33987	0.5
61.98825	14.5
67.01885	0.8
68.81859	0.6
69.03471	0.7
69.20444	1.3
69.20847	5.4
70.65790	0.6
71.01385	1.1
78.95887	0.7
79.05521	0.8
83.05011	0.7
85.57362	0.5
89.45657	0.6
97.02934	0.9
99.04517	100.0
99.92584	0.9
100.04869	3.7
105.07108	2.0
116.92851	7.3
123.04539	1.1
133.06610	1.5
134.03731	0.6
135.04561	1.1
143.05000	0.9
145.06596	1.0
149.06104	1.1
157.06535	1.8
159.08119	3.0
161.06071	1.2
161.09705	1.1
163.07701	1.0
169.06541	0.9
171.08139	1.7
171.10304	1.7
173.09727	2.4
175.07668	1.2
177.05464	0.8
183.08173	2.0
185.06091	0.9
185.09702	3.4
186.06863	1.5
187.07623	0.7
189.09058	0.9
191.03596	0.6
191.05609	1.3
193.08638	0.8
195.08128	1.3
197.09727	3.9
197.11377	0.7
198.06934	0.6
199.07527	0.7
200.08420	0.7
201.09158	4.6
203.07066	1.0
203.10744	8.9
204.11163	0.6
213.09143	4.0
215.07147	1.9
215.10727	9.9
225.11282	0.7
227.07141	0.8
229.08669	1.1
231.10239	6.8
233.11818	34.5
234.12213	3.0
239.07184	2.2
241.08556	0.7
245.08170	11.0
247.09717	6.4
248.14070	0.7
257.08160	8.9
259.09711	6.2
275.09250	14.1
276.09579	0.8
277.10788	20.5
278.11127	1.9
281.56390	0.6
293.21124	1.0
295.11871	0.7
377.16071	9.4
378.16241	1.3
414.69507	0.6
415.24899	3.9
475.19641	0.9
477.21344	2.3
478.21115	0.9
483.12289	0.6
601.39496	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.8
59.01377	100.0
60.01716	1.1
61.98811	1.5
71.01382	11.7
71.52345	1.0
72.99348	0.6
73.02946	12.3
83.01403	3.7
85.02972	2.2
87.00895	1.1
89.02442	7.2
95.01404	1.1
99.04514	6.0
101.02437	13.7
113.02455	5.7
119.03497	3.3
125.02543	0.8
126.21505	0.7
131.03496	1.4
131.49763	0.7
143.03513	1.8
149.04594	1.7
155.03485	0.9
161.04565	3.2
173.04518	0.9
183.13940	1.2
191.05685	2.7
197.09727	0.8
200.75999	0.6
203.10788	1.0
215.10954	1.6
221.06746	0.7
224.17526	0.7
233.11877	2.2
236.48145	0.6
280.08398	0.9
327.18475	0.9
377.16013	0.7
488.59262	0.7
732.33929	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97520	2.0
59.01370	8.2
61.98834	34.0
67.01892	2.7
70.83377	5.0
71.01381	2.2
75.31092	2.0
76.48223	2.0
78.95926	2.2
88.98821	2.2
99.04514	80.8
100.04847	2.9
135.04543	4.6
143.05009	4.9
144.05838	2.2
154.91290	2.1
157.06602	4.3
159.04416	2.7
159.08128	10.6
163.07664	4.0
171.08150	8.0
171.10281	3.3
175.07640	5.2
177.05521	5.4
183.08136	9.0
185.06148	2.7
186.06845	3.0
187.07640	5.5
191.03743	2.2
191.05591	4.4
195.08221	3.8
198.06703	4.4
201.05777	2.5
201.09193	20.1
203.07115	4.0
207.10027	2.3
211.07657	2.9
213.09215	26.5
214.09520	3.1
215.07176	9.9
227.07065	3.6
229.08672	3.3
231.10246	33.6
232.10553	3.2
239.07077	14.7
240.07449	2.4
245.08167	61.2
246.08592	6.0
257.08197	58.1
258.08487	6.1
275.09247	100.0
276.09543	7.9
317.21149	12.3
332.42822	2.3
418.77637	2.2
791.36493	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	789.4552
Annotation	Sorangicin B
Peak:m/z	Relative Intensity
55.31588	1.6
59.01371	4.5
61.98843	3.9
68.71246	1.5
69.03470	2.4
69.22498	10.5
69.22928	5.5
71.05010	3.2
78.95901	77.3
80.96520	2.5
83.05045	3.2
93.48132	2.0
95.05031	3.7
96.96938	3.9
97.06578	2.6
98.20625	2.7
102.32964	1.8
104.22131	1.5
109.06560	6.7
122.97546	1.8
125.09751	2.7
135.08145	2.7
139.63116	1.7
142.52109	1.6
150.89279	1.8
152.99580	79.0
153.00822	4.1
169.12355	3.1
171.00677	8.6
171.10297	7.6
185.11852	5.8
187.02069	2.1
197.11876	13.0
199.13301	2.7
209.11809	7.7
211.13318	4.2
215.42381	1.8
216.57365	1.9
223.13269	3.3
227.03232	4.8
227.12917	1.8
237.14943	3.3
245.04457	2.3
253.21696	25.4
254.22113	2.0
255.23306	33.9
256.23599	2.9
258.42545	1.7
277.21793	3.8
307.19110	1.7
310.27130	1.7
323.18765	2.1
325.20197	17.0
326.20007	1.9
431.01755	1.9
459.17880	4.7
461.19376	4.4
533.21814	2.6
535.23120	7.9
551.22638	2.9
552.23175	6.4
553.24072	84.4
554.24500	11.7
771.44543	4.7
789.45538	100.0
790.45844	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	791.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
59.12526	0.3
66.16431	0.2
79.95735	25.5
93.03460	0.4
96.96011	0.6
98.31322	0.2
105.97878	0.3
120.99664	0.5
135.04549	2.8
163.04005	37.6
164.04356	2.0
165.21973	0.3
177.05585	0.3
178.06346	44.9
179.06717	2.8
189.42516	0.2
191.05617	1.2
193.08690	40.9
193.20674	0.3
194.09018	2.5
257.89886	0.3
258.01941	1.2
273.04376	100.0
274.04697	7.1
275.03931	0.3
278.99567	0.3
288.17770	0.3
517.17377	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.7
59.01373	2.3
64.59051	0.5
69.03447	0.6
71.01370	1.4
71.52334	0.9
73.02931	0.6
79.95728	2.3
80.93781	0.5
80.96513	0.8
83.05002	0.6
85.02953	2.7
87.00886	0.8
93.03439	1.6
95.95229	2.1
96.52968	0.5
96.96009	36.6
97.02913	0.6
97.06576	2.6
99.04512	1.5
101.02374	1.0
109.02988	0.5
111.04470	0.5
113.02396	0.7
119.05042	0.8
133.02914	1.1
133.06604	0.7
135.04492	2.4
135.08134	2.2
138.96982	0.6
159.08136	1.0
161.02426	1.2
161.06181	0.6
163.03963	1.6
165.12880	0.7
169.04988	1.0
173.04504	0.7
177.04103	2.9
177.05446	0.9
177.09167	1.8
179.07237	0.8
183.13910	1.6
189.09245	0.7
191.05609	11.8
194.99406	0.9
201.13007	0.6
213.09343	0.6
221.08127	3.2
227.12848	2.0
231.10283	1.7
241.00185	1.9
256.99680	2.0
265.10736	0.7
275.09299	0.7
285.12201	0.5
293.10358	7.6
294.10587	0.7
351.07211	0.8
359.17175	0.9
363.07288	0.7
393.12225	100.0
394.12552	9.7
789.24524	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	0.5
59.01382	5.5
68.53146	0.3
69.75585	1.6
69.86592	0.3
71.01389	3.6
72.99310	0.3
85.02961	0.5
85.62991	0.3
88.29086	0.3
88.98804	0.5
89.02441	3.8
90.07663	0.3
90.22442	0.3
93.03465	0.4
96.31589	0.3
96.95985	0.5
98.20606	0.6
101.02439	1.6
109.02965	0.8
109.06557	0.3
111.01937	0.3
113.02477	0.9
118.98091	0.5
119.05028	61.7
120.05396	2.7
121.02953	0.6
125.27870	0.3
130.70329	0.3
135.04529	5.0
136.04854	1.3
137.05116	0.5
137.06078	4.2
163.04007	100.0
164.04347	5.3
179.03482	4.5
179.05574	1.1
180.03865	2.0
181.05074	12.4
182.05432	0.7
191.05630	0.8
283.15509	0.5
291.58755	0.4
323.13528	1.7
341.08838	1.1
341.55698	0.3
342.09027	1.0
343.10315	25.7
344.10632	3.0
345.11368	0.4
443.19266	0.4
580.28192	0.3
597.35242	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	8.6
57.83754	2.1
59.34217	2.1
61.98823	11.2
63.39633	2.1
71.51412	2.7
74.34756	2.3
75.35825	2.2
78.95889	10.0
81.03437	5.5
83.05020	5.8
93.03449	2.8
94.82731	2.1
99.04521	32.4
107.05025	2.2
109.06564	8.1
123.04482	8.0
125.02431	9.3
133.06577	2.7
134.01219	2.3
135.04539	6.1
151.07640	2.5
152.99612	13.2
185.09663	3.1
185.11839	2.5
201.12909	3.3
245.18671	2.5
253.21838	3.2
277.21692	10.2
291.19644	2.9
431.94067	2.8
441.34085	2.3
495.76938	2.5
551.22510	9.3
602.65063	2.3
669.39484	4.2
687.41162	11.6
688.40918	3.2
787.46179	100.0
788.46490	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	787.44
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67136	1.4
59.01378	1.8
61.98819	5.3
71.01363	1.9
71.05028	3.9
75.16643	1.8
78.95903	69.5
80.96500	5.8
81.03475	2.9
83.01382	2.3
83.05015	4.3
83.22895	1.5
84.02150	1.7
84.68692	1.6
95.05026	9.8
96.96976	3.7
97.06558	2.3
109.06609	1.8
113.06068	6.7
125.09680	4.5
130.49617	1.7
133.06567	1.7
135.08093	5.9
152.99579	74.4
163.11250	2.8
171.00629	6.7
171.10249	3.9
179.89163	2.4
181.12335	3.1
185.11829	4.0
199.09795	2.0
199.13362	2.3
209.11786	13.3
220.40820	1.7
223.13408	1.9
227.03159	6.2
237.14963	2.1
247.13252	1.7
249.14984	1.8
253.21703	23.5
255.23209	4.5
265.14545	2.7
277.21802	1.8
287.16617	2.5
305.17624	6.1
323.18579	6.2
333.96341	1.8
459.17908	7.5
533.21497	10.1
551.22614	100.0
552.23114	13.7
769.42993	6.1
787.43915	58.0
788.31226	2.6
788.44189	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	787.274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.5
58.42638	1.2
59.01376	6.8
61.98826	22.3
62.64480	1.3
62.99770	1.3
65.03983	1.3
67.01886	2.1
70.54010	1.3
71.01374	3.6
71.52840	1.9
73.82577	1.4
78.95911	2.0
85.02940	3.4
87.00888	1.6
88.98828	1.6
91.05504	1.4
93.03439	2.1
97.02917	1.7
99.04517	100.0
99.25740	1.5
101.02466	1.6
105.07086	2.8
109.02960	2.3
119.05004	2.4
129.07143	1.8
132.05586	1.6
133.06580	2.5
135.04515	3.3
143.05009	3.2
144.05771	1.7
145.06535	1.9
147.08174	7.4
149.06113	2.8
157.06538	3.8
159.04507	3.3
159.08131	12.9
161.06033	3.1
161.09555	1.5
163.81947	1.4
169.06587	1.9
170.07248	1.8
171.08121	6.8
171.10239	1.7
172.05258	1.4
173.04570	1.8
173.06023	2.6
175.03938	2.0
175.07616	3.7
177.05563	4.1
177.09166	3.8
179.03505	1.8
179.07153	2.2
183.08170	3.4
185.06094	6.0
185.09700	2.4
187.07573	3.0
189.09201	2.4
191.03685	2.5
191.05577	19.9
191.07120	3.4
192.06006	2.4
195.08122	2.1
197.05942	2.2
197.11842	2.8
198.06799	4.3
201.05556	3.5
201.09230	14.0
203.07144	13.1
205.75955	1.6
207.10168	2.2
209.11771	10.3
213.09207	14.9
214.09552	2.0
215.07011	4.7
219.10316	4.0
221.08099	1.5
227.07187	2.9
227.13037	1.4
229.08730	1.6
231.10257	28.0
232.10591	1.7
235.08488	1.5
239.06989	1.8
245.08159	25.8
246.08527	2.5
249.11267	8.4
253.09140	2.6
257.08221	17.9
258.08594	1.5
259.15372	1.9
263.09140	3.2
275.09241	32.4
276.09543	3.0
293.10318	12.6
293.21234	1.5
298.04089	1.3
309.20673	4.6
375.14514	2.0
393.15512	14.2
394.15698	2.4
407.90002	1.4
436.79547	1.4
475.19629	3.3
649.50879	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	786.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22389	0.1
61.98829	100.0
62.98531	0.2
63.37765	0.1
71.00800	0.3
71.01398	0.2
78.98615	0.1
79.95770	0.3
80.96510	2.0
90.65189	0.1
94.98083	0.5
125.02485	0.2
134.97575	0.2
148.99219	0.1
152.98610	0.1
164.98613	0.3
167.96506	0.1
209.11790	0.1
210.12346	0.1
225.00784	0.4
246.99194	0.1
277.21887	0.2
290.18457	0.1
302.50092	0.1
312.07391	0.1
409.30325	0.1
410.29666	0.1
427.08453	0.1
593.17981	0.1
786.37067	0.5
787.39075	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	787.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.6
59.01386	12.2
61.98825	38.1
71.01377	3.4
71.09647	3.7
71.09975	3.4
75.13602	2.6
78.95914	3.8
81.03441	6.2
83.05036	3.4
85.02966	4.1
93.03454	4.2
95.05025	7.2
96.96011	4.0
97.02972	8.7
99.04515	81.4
105.07098	9.3
107.05056	5.4
109.03002	3.5
111.04516	5.9
119.05021	3.9
121.06570	8.9
123.04523	12.0
124.54069	2.5
125.02455	3.3
129.07184	2.6
133.06583	3.9
134.03743	8.8
135.04506	9.4
137.06059	4.2
145.06581	4.3
147.04527	19.9
149.06081	72.8
150.06525	4.2
157.06581	4.8
159.04538	3.2
159.08160	8.7
161.06097	7.3
165.05580	6.3
171.08165	5.0
171.10321	4.3
173.06058	4.5
173.09743	4.2
175.03975	4.7
182.64616	2.6
183.08200	6.5
183.10455	2.6
185.09613	3.4
186.06778	2.8
187.07584	3.6
189.05553	7.2
191.05629	6.0
191.07233	6.9
199.07581	4.6
201.05594	4.2
201.09251	13.3
205.12267	2.7
211.07474	4.3
213.09174	8.7
227.07182	5.6
229.08716	3.7
231.10274	4.7
236.10732	3.7
245.08096	17.1
253.12383	4.5
257.08142	8.5
275.09418	2.8
341.22720	3.0
367.11588	2.9
403.19302	5.7
415.19141	4.2
447.18097	44.4
448.18295	5.3
459.18011	10.6
473.15604	2.7
477.18994	12.0
491.17157	47.2
492.17545	7.8
503.17096	12.4
507.20297	3.6
515.16754	4.4
521.18134	100.0
522.18561	19.5
533.18347	11.9
534.18335	3.8
551.19135	3.6
608.72778	3.0
621.23309	63.1
622.23871	16.4
633.23138	5.0
787.27417	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	786.428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01408	0.2
61.98829	100.0
63.91795	0.2
63.96235	0.3
69.61414	1.4
71.01372	1.4
73.02956	0.3
78.95909	0.6
78.98605	0.9
79.95730	2.7
80.96514	15.5
82.96095	0.8
85.02931	0.4
87.00897	0.6
90.78519	0.2
94.98077	3.1
95.01393	0.3
97.02956	0.3
99.04497	0.3
101.02435	0.5
106.98091	0.8
116.92850	0.4
116.93652	0.2
120.78816	0.2
122.97563	0.4
125.02438	0.4
127.62663	0.2
134.97577	0.9
148.99075	1.1
152.98618	0.9
152.99681	0.3
164.98636	2.2
206.99687	0.3
209.11754	0.3
225.00751	2.6
226.01102	0.3
229.96332	0.2
256.31381	0.2
277.21686	0.3
278.22076	0.3
343.52325	0.3
387.25720	0.2
557.07019	0.3
686.39294	0.2
717.01904	0.2
786.38074	9.5
787.38873	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	786.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55482	0.1
59.90884	0.1
61.98829	100.0
62.98532	0.2
71.01379	0.4
78.98614	0.3
79.95733	0.9
80.07623	0.1
80.96513	4.1
85.02956	0.2
87.00858	0.2
93.29889	0.1
94.98075	0.8
97.02948	0.1
101.02428	0.2
106.98132	0.2
122.53787	0.1
122.97616	0.2
125.02471	0.3
134.16725	0.1
134.97610	0.4
148.99170	0.3
152.98666	0.4
164.98637	0.4
225.00732	0.8
275.19144	0.1
277.21793	0.2
278.22098	0.1
279.23288	0.4
325.57639	0.1
606.62805	0.1
786.37427	0.7
787.39294	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	785.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	33.5
61.98825	15.1
67.01892	3.3
71.14709	7.0
71.15054	3.6
72.94035	2.9
72.99307	3.6
80.96514	5.8
81.03455	52.8
82.96087	3.6
83.01395	6.2
83.05043	23.9
83.50571	4.5
85.02924	5.7
87.93942	3.0
91.86261	3.3
93.03438	14.3
96.35471	3.5
99.04507	32.1
106.64475	2.7
107.05051	5.2
107.17631	2.8
109.06631	3.9
119.04995	9.0
123.04568	4.8
125.02444	91.2
126.02763	5.7
133.06548	3.7
137.02446	19.9
143.04955	3.6
145.06577	4.0
147.04555	3.7
157.06554	5.5
159.08099	5.1
161.06122	9.5
163.04022	19.2
169.06650	4.8
171.08124	11.5
172.05165	4.5
183.08089	7.3
185.06024	8.8
185.09639	4.7
186.06894	4.6
197.06075	12.4
198.06778	8.7
199.07552	4.6
201.09207	21.4
209.09712	5.8
211.07593	6.8
211.11212	5.7
212.08450	5.9
213.05478	5.9
213.09186	22.3
215.07185	6.0
219.10295	7.1
227.07065	6.3
227.10771	6.4
228.85358	3.2
237.09189	11.2
239.07083	7.1
240.07848	5.7
243.10248	5.4
245.07982	5.3
253.12234	4.8
255.10249	44.0
256.10425	5.4
263.09180	6.9
295.13376	4.8
297.11319	17.2
299.09155	19.5
339.12354	7.5
367.28552	4.7
383.11487	4.2
409.29538	100.0
410.29855	12.4
437.00150	3.5
641.41278	3.8
667.38470	66.7
668.38647	15.8
685.39545	49.0
686.39508	15.1
759.21155	3.5
767.44220	7.4
775.33496	3.4
785.44647	34.2
786.44672	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	785.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.6
61.03458	0.6
61.98830	100.0
62.98529	1.1
63.96238	2.1
69.03464	0.9
70.64584	0.7
70.64924	1.7
71.01379	8.7
72.99284	0.6
73.02946	2.0
78.95918	1.7
78.98590	7.8
79.95732	16.6
80.96516	88.7
81.03441	0.9
82.96106	2.0
85.02966	3.0
87.00877	3.0
88.98808	2.0
94.98083	19.2
96.96014	1.3
97.02949	1.6
99.92567	1.7
101.02441	3.0
106.98063	4.1
116.92859	8.8
117.92882	0.7
122.97597	3.3
125.02454	3.0
128.44681	0.6
130.45822	0.6
132.11349	0.7
134.97585	6.0
136.99161	1.6
146.97607	0.7
148.99152	7.8
152.98611	5.6
152.99625	0.8
164.98622	13.7
184.22183	0.6
197.11795	1.1
206.99670	3.5
207.10239	1.7
225.00742	21.1
225.11249	0.9
226.00787	1.4
227.00366	0.9
235.80463	0.6
277.21756	3.1
278.21918	1.4
279.22672	0.7
292.28012	0.6
407.28128	1.0
408.28003	0.9
435.47668	0.7
507.15186	1.8
517.46429	0.6
784.42621	1.2
785.37811	77.6
786.38147	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	9.9
59.01366	2.0
61.98829	6.9
65.03955	1.4
67.01876	1.4
69.91872	1.8
75.28637	0.5
79.05515	0.7
80.96532	0.7
81.03460	8.4
83.01376	2.6
83.01807	0.7
83.05030	6.1
85.02946	0.7
89.03969	0.9
91.05514	2.2
93.03442	2.1
95.05007	2.0
97.02955	1.4
99.04518	34.2
105.07072	2.7
107.05011	2.7
109.02938	2.1
109.06601	4.7
111.04507	2.3
117.03434	0.8
119.05000	1.8
121.06618	1.4
123.04512	1.1
125.02442	13.1
125.06043	1.1
126.02708	0.6
131.05016	1.4
132.02168	0.6
133.06601	3.2
135.04555	3.0
137.02432	1.4
137.06116	1.2
143.05019	1.1
145.06659	1.4
147.04504	0.9
147.08153	2.2
149.06041	1.9
151.07607	1.4
157.06558	1.7
159.04573	0.6
159.08102	1.6
161.06061	1.7
163.03981	0.8
163.07568	0.8
169.06528	1.2
170.79298	0.6
171.08107	2.3
173.06007	1.6
175.03999	0.6
175.07521	1.2
181.04970	0.7
181.10338	0.6
183.08121	4.5
185.06047	1.6
185.09625	1.0
187.07648	0.8
189.05499	1.3
191.07082	0.9
193.10240	0.8
195.08105	1.8
197.05980	1.0
197.09676	1.1
198.06880	0.6
199.07649	1.2
199.11285	2.9
201.09174	1.1
203.07182	0.8
207.08051	0.7
209.09669	1.1
210.06664	1.0
211.07588	1.1
211.11224	1.2
213.09196	2.0
214.09483	0.6
215.10596	0.6
216.47672	0.6
223.11261	1.3
225.09198	4.6
226.09845	0.9
227.07095	0.9
237.09142	1.7
238.09810	0.7
241.08606	0.7
241.12344	2.5
243.10181	1.9
251.10524	0.7
253.12375	1.0
255.10165	1.7
265.12256	1.2
266.05908	0.7
267.10461	0.9
281.08286	0.7
283.13416	1.7
287.09219	1.7
288.83582	0.7
295.13486	1.3
327.12216	1.5
409.29614	8.0
410.29953	1.4
440.56009	0.7
501.17422	1.1
685.39569	7.2
686.39844	2.0
781.20544	0.7
785.44739	100.0
786.45038	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17164	0.1
59.01385	0.4
61.98829	100.0
62.98529	0.8
62.99255	0.3
63.96244	0.3
63.99255	0.6
69.99178	0.3
69.99568	0.3
71.01389	1.7
73.02943	0.4
78.95917	0.5
78.98592	1.4
79.95736	2.7
80.96516	16.9
82.96100	0.7
85.02958	0.7
86.99709	0.1
87.00893	0.7
94.98090	3.5
95.01367	0.2
97.02950	0.4
98.20605	0.1
99.00860	0.2
101.02454	0.5
106.98134	0.8
108.82351	0.1
111.54894	0.1
116.92847	0.6
122.97598	0.7
125.02451	0.9
127.03996	0.2
134.97566	1.4
136.99101	0.3
148.99126	1.4
152.98607	1.2
164.97327	0.2
164.98616	2.4
206.99593	0.5
209.11761	0.4
210.12109	0.2
211.13414	0.2
225.00740	4.1
225.11400	0.3
227.00343	0.1
277.21756	1.0
278.22021	0.3
384.77048	0.1
393.49567	0.1
410.18481	0.2
507.15277	0.4
527.58478	0.2
559.25629	0.3
685.35669	0.3
741.38782	0.2
784.41962	0.3
785.37787	14.6
786.37982	4.0
803.37201	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
61.98829	100.0
67.04585	0.2
71.00133	0.2
71.01383	0.4
79.64469	0.2
79.95735	0.3
80.96512	3.2
89.02473	0.2
94.98097	0.7
96.97636	0.2
98.19877	0.4
101.02494	0.2
106.98158	0.2
116.92861	0.4
134.97552	0.2
164.98656	0.4
186.64709	0.2
209.11781	1.8
210.12216	0.6
218.64076	0.2
225.00697	0.8
227.12859	0.2
244.58669	0.2
246.79970	0.2
253.09312	0.3
265.24249	0.2
277.21677	2.6
278.22052	1.9
279.22787	0.2
333.11493	0.2
345.21442	0.2
407.27881	0.3
408.28375	0.4
458.17908	0.2
550.92773	0.2
784.42346	1.9
785.38104	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	785.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.5
57.93615	0.3
59.01378	0.9
59.69076	0.3
61.98832	10.7
62.84142	0.3
65.03964	0.4
67.01894	0.7
69.03445	1.1
71.01382	0.4
79.05540	0.6
81.03412	0.4
83.05019	0.4
85.02956	0.5
86.92350	0.3
88.17516	0.3
91.05533	0.8
91.19421	0.4
93.03459	0.7
94.38573	0.3
95.01339	0.4
95.05051	0.5
97.02946	1.9
99.04519	100.0
100.04855	2.9
105.07098	1.4
107.05034	0.7
108.02076	0.3
108.90206	0.5
109.02936	0.7
109.06586	0.8
111.04524	0.8
117.07098	0.4
119.05046	0.6
119.08654	0.3
121.02958	39.5
121.06557	1.8
122.03207	1.7
123.04512	1.6
125.06078	0.4
129.35028	0.3
130.04248	0.3
131.04935	0.3
133.06590	1.3
135.04524	1.1
135.08147	0.4
137.06030	0.5
143.05040	0.9
143.08682	0.4
144.05894	0.4
145.06622	3.1
147.04523	0.5
147.08197	0.8
149.06087	1.3
155.08652	0.3
156.05836	0.5
157.06653	1.7
159.04602	0.4
159.08139	2.9
161.06093	1.3
161.09729	4.1
163.07611	1.7
165.01964	1.1
169.06538	0.5
170.07315	0.7
171.08183	1.7
173.06082	0.8
173.09677	0.6
175.07614	1.0
177.05563	1.0
177.09270	0.5
181.06602	1.0
183.08058	1.5
185.06076	0.9
185.09709	3.0
187.07640	1.4
188.08354	0.8
189.05530	0.6
191.03493	0.9
191.05609	1.0
195.08145	1.2
197.06148	0.4
197.09639	1.5
198.06802	0.8
199.07622	0.5
201.05518	0.4
201.09224	2.9
203.07230	1.5
203.10773	14.4
204.11156	0.9
205.08617	0.8
209.04549	26.6
209.11801	0.4
210.04826	1.6
213.09181	2.5
215.07141	0.8
215.10744	1.3
217.08740	0.5
219.10271	1.4
225.05412	0.7
227.07169	0.3
229.08673	2.2
229.14873	0.4
231.10275	6.5
232.10364	0.4
233.11852	0.4
239.07198	0.6
245.08186	4.9
246.08687	0.6
247.09755	22.0
248.10117	1.3
257.08121	2.9
259.09683	2.1
261.07684	0.5
263.09213	1.6
263.12213	0.3
275.09225	5.4
276.09592	0.4
277.10806	5.0
279.12265	1.7
291.12268	0.6
293.10303	2.0
308.65152	0.3
309.13373	0.7
313.07184	1.8
347.15103	1.9
352.32733	0.4
357.06186	0.7
401.08722	3.7
402.09216	0.5
461.19925	0.3
475.19614	0.7
479.20642	0.4
573.21851	0.3
772.80365	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	8.0
61.98825	15.6
71.01370	4.3
78.95892	2.2
79.95722	2.2
80.02651	1.7
80.96518	16.3
83.05035	3.3
87.00855	1.9
89.02438	2.8
94.98105	3.1
101.02428	3.1
106.60170	1.6
113.02480	2.2
125.02415	1.6
134.89528	1.5
148.99132	2.7
163.11299	2.8
164.98586	1.9
165.12837	3.1
177.97472	1.5
199.13542	1.5
209.11816	78.3
210.12109	5.9
225.00729	5.6
227.12871	10.1
235.08255	5.0
253.09317	9.5
277.21716	100.0
278.22058	10.5
329.13815	2.6
366.64340	1.6
449.82489	1.7
783.42035	20.2
784.42786	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	784.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66696	0.3
56.38808	0.3
56.43681	0.3
59.01368	1.3
62.96410	0.7
70.58726	0.6
78.95906	100.0
96.96965	61.2
119.03495	0.3
119.04971	0.4
132.42157	0.3
134.04730	6.1
134.98567	0.5
135.04494	2.2
138.98010	0.7
150.98045	1.1
151.04010	0.5
158.92543	8.2
162.97992	2.2
174.97974	0.5
176.93546	0.8
179.03522	2.6
180.99077	9.8
184.08868	0.4
191.05638	0.7
192.06046	0.4
192.99168	0.4
195.00626	2.5
198.06783	0.9
211.00177	0.9
212.08293	0.9
227.45543	0.4
241.07336	2.4
255.08885	2.3
272.95831	1.7
323.13300	0.8
328.04623	0.4
341.08786	0.9
346.05573	22.1
347.05798	1.8
353.07608	0.3
408.01096	2.1
437.08652	27.7
438.09009	3.2
455.09659	0.3
517.05096	1.4
784.14905	5.6
785.15039	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	784.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.3
61.98828	100.0
67.91358	0.2
71.52071	0.3
78.95902	0.3
85.02959	0.3
99.04518	2.9
131.02533	0.2
191.05606	0.4
203.10652	0.3
209.11824	2.6
227.12985	0.5
231.10371	0.4
245.08220	0.4
247.09828	0.9
253.09225	0.4
275.09344	0.6
277.21683	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	784.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
61.98829	100.0
67.04585	0.2
71.00133	0.2
71.01383	0.4
79.64469	0.2
79.95735	0.3
80.96512	3.2
89.02473	0.2
94.98097	0.7
96.97636	0.2
98.19877	0.4
101.02494	0.2
106.98158	0.2
116.92861	0.4
134.97552	0.2
164.98656	0.4
186.64709	0.2
209.11781	1.8
210.12216	0.6
218.64076	0.2
225.00697	0.8
227.12859	0.2
244.58669	0.2
246.79970	0.2
253.09312	0.3
265.24249	0.2
277.21677	2.6
278.22052	1.9
279.22787	0.2
333.11493	0.2
345.21442	0.2
407.27881	0.3
408.28375	0.4
458.17908	0.2
550.92773	0.2
784.42346	1.9
785.38104	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	3.1
63.96243	1.8
67.62698	1.2
71.01376	10.3
73.02950	2.3
78.95892	3.3
78.98588	8.0
79.95735	18.1
80.96516	91.4
81.96458	1.8
85.02966	3.7
87.00880	3.9
94.98090	19.7
96.96014	2.0
99.92599	1.7
101.02444	3.2
106.98089	4.9
122.97630	7.1
125.02471	3.2
134.97598	4.7
148.61522	1.4
148.99135	7.5
152.98573	8.5
164.98627	14.1
179.89133	1.3
206.99612	5.1
225.00720	18.6
238.56445	1.4
255.23120	1.8
283.05130	1.8
525.20435	3.2
743.93750	1.5
781.43976	100.0
782.44366	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	782.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
70.57110	0.6
70.57475	0.3
81.31718	0.2
82.38598	0.2
93.03471	0.3
96.96051	0.4
99.04511	2.2
100.20045	0.2
127.46670	0.2
136.89287	0.3
191.05630	0.3
198.90964	0.3
244.79536	0.2
276.32220	0.3
282.43951	0.3
308.74283	0.3
343.52890	0.3
412.35806	0.3
643.72998	0.3
725.39484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.5
57.09746	0.9
59.01381	1.0
61.98828	5.5
69.03426	1.4
71.01377	7.2
73.02939	1.7
76.12720	0.8
78.98583	6.2
79.95728	10.2
80.96518	57.9
82.96064	1.3
83.01388	1.2
85.02947	1.7
87.00883	1.6
93.03345	1.0
94.98088	9.9
96.96010	1.3
97.02940	2.6
99.04516	9.6
101.02448	1.9
106.98056	2.6
107.04978	1.3
109.06524	0.9
111.04539	1.9
122.97565	2.4
125.02454	2.3
133.06511	0.9
134.97578	4.0
136.99149	0.8
148.99101	3.5
152.98634	4.0
164.98631	8.6
165.05530	0.9
171.08098	0.9
183.08136	1.1
199.11282	2.2
201.09149	1.1
201.11313	1.3
204.91054	1.1
206.99603	1.9
217.58263	0.8
223.51785	0.8
225.00746	15.2
225.09187	1.0
237.09196	1.0
243.10229	1.7
253.12172	1.0
255.10213	1.7
269.08063	1.0
279.26950	4.8
280.27313	1.2
281.08301	1.0
321.27951	9.7
339.29031	1.9
363.29138	5.6
407.27963	4.8
470.84982	0.9
483.14838	1.3
527.17847	1.1
537.27026	1.0
683.37793	6.1
684.38660	2.8
739.39514	2.6
765.41846	2.2
783.42352	100.0
784.42780	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	781.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
57.03431	0.6
58.73600	0.4
59.01379	13.2
61.98829	3.6
68.39277	0.4
68.99558	1.0
69.03458	0.5
71.01382	4.1
71.05033	0.8
73.02955	1.3
78.98574	0.9
79.95740	2.2
80.96513	13.8
81.01468	0.5
81.03452	0.6
83.01400	0.6
85.02940	1.3
85.64483	0.4
87.00890	1.5
89.02451	1.4
92.63342	0.5
94.98090	3.0
97.02959	5.9
97.06587	0.5
99.00874	7.4
101.02429	3.3
106.98071	0.8
109.06589	1.0
110.03758	0.6
112.98580	1.0
113.02445	1.3
119.18808	0.5
122.97573	0.5
125.02456	1.2
125.09740	2.0
132.42848	0.4
134.97575	1.1
135.08141	0.6
136.05298	0.6
142.02733	1.4
145.05022	0.6
148.99135	1.3
152.98566	0.6
153.72766	0.4
161.04507	1.0
163.11330	4.1
164.98624	2.1
179.05652	0.5
181.12326	8.4
182.12613	0.6
206.99718	0.7
207.10237	28.0
208.10558	1.7
225.00728	4.2
225.11308	60.1
226.11639	3.9
235.08159	3.3
243.12326	8.1
253.09282	3.5
275.20001	0.5
277.21701	100.0
278.22058	10.2
443.19061	4.3
461.20233	12.5
462.20630	1.9
518.32751	0.5
537.27618	0.6
577.37469	0.6
714.40820	0.5
721.41711	20.8
722.42328	6.3
781.40479	16.0
782.40924	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	781.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
57.03427	0.5
57.28317	0.5
58.00584	1.2
59.01377	100.0
59.04317	0.5
60.01704	0.9
61.98824	1.2
68.33110	0.4
69.03470	1.1
71.01380	26.0
71.52730	0.6
72.02117	0.4
72.99320	0.7
73.02943	26.3
79.95731	0.5
82.93839	0.4
83.01384	7.7
85.02939	4.8
85.03401	0.5
87.00884	1.0
89.02435	10.2
93.03478	0.8
95.01381	0.8
96.95994	4.2
97.02976	0.9
101.02438	28.9
113.02447	11.1
119.03491	5.3
125.02451	0.9
131.03511	3.5
133.02994	0.5
143.03477	3.5
149.02516	0.5
149.04543	6.9
155.03542	1.3
161.04550	12.3
179.05669	1.3
183.10406	0.5
183.25507	0.4
185.11893	0.6
191.05597	2.8
203.05618	1.4
221.06653	4.0
222.07133	0.7
261.13290	0.5
265.07571	0.9
303.14633	2.0
345.13333	0.6
433.24390	6.7
434.25034	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05294	0.8
61.98830	11.0
63.96213	2.5
64.25262	0.7
69.95593	4.1
71.01375	8.2
73.02921	2.5
78.95892	3.7
78.98585	7.2
79.95731	15.0
80.96517	87.4
81.03447	1.4
84.90709	0.8
85.02940	3.0
86.74433	0.9
87.00883	4.1
94.98093	20.1
96.95991	1.9
97.02957	2.1
99.00820	1.0
101.02433	2.4
106.98071	2.9
122.58716	0.9
122.97564	3.8
125.02411	3.9
125.03228	0.8
134.97604	7.2
136.99124	1.2
139.83009	0.8
148.99147	7.1
152.98621	7.1
160.94333	0.8
164.98634	14.3
183.63242	0.9
206.99564	2.2
209.11781	3.1
225.00737	25.4
226.01004	0.9
230.57076	0.9
241.01180	1.5
255.23354	4.2
307.46143	0.8
321.28122	1.0
357.35498	0.9
402.12445	0.9
407.28186	1.1
525.16595	2.1
537.27026	1.4
763.39160	3.0
781.40460	100.0
782.40729	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	9.8
67.10522	0.3
68.42285	0.3
68.99570	100.0
70.99792	0.7
71.01379	2.8
78.95892	1.3
78.98592	1.9
79.95724	4.5
80.96513	22.5
83.69089	0.4
84.80328	0.4
85.02937	1.2
87.00868	0.8
94.98090	4.9
96.96017	0.4
96.96997	0.4
97.02974	0.7
99.04542	0.4
101.02439	1.1
106.98073	1.0
112.98563	81.7
113.98903	1.2
122.97572	0.8
125.02448	0.8
134.97549	1.5
148.99158	1.8
151.10713	0.5
152.98648	1.1
164.98618	3.7
199.07689	0.9
206.99660	0.7
209.11743	0.9
211.07608	0.5
211.92815	0.4
217.08627	0.8
225.00720	6.4
225.02730	0.6
226.00851	0.6
227.12703	0.4
229.08565	0.4
231.36978	0.4
241.01321	0.5
251.22948	0.5
255.23325	1.2
277.21661	1.0
321.27921	1.1
363.29062	1.0
398.11792	0.4
407.27933	4.8
408.28314	0.4
435.67841	0.4
525.16638	0.6
646.28998	0.4
654.32764	0.5
781.40515	29.0
782.40784	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	781.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15417	0.7
59.01364	1.9
61.98829	80.8
63.56178	0.7
63.96221	1.4
67.56098	0.7
70.81619	1.6
71.01378	8.2
73.02940	2.3
76.13515	0.7
78.95901	2.4
78.98592	6.6
79.95737	16.3
80.96514	81.6
81.03487	1.0
85.02934	3.5
87.00845	2.9
94.98082	18.5
96.95969	1.8
97.02940	1.8
99.00874	1.1
101.02435	3.0
104.40887	0.8
106.98112	4.2
122.97570	2.9
125.02422	3.2
134.97574	6.4
136.99104	1.8
148.99159	7.9
152.98625	7.6
153.15544	0.8
164.98630	15.4
165.00015	1.1
181.12231	0.9
206.99626	3.4
209.11755	1.4
217.08513	0.8
225.00719	27.1
225.11284	2.0
241.96260	0.9
243.12245	0.8
255.23192	3.7
278.22415	0.8
283.05200	1.1
379.42334	0.7
525.16400	0.9
537.27069	1.6
691.01318	0.9
699.68250	1.0
763.38965	4.2
764.39691	1.6
781.40436	100.0
782.40833	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	779.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.2
59.95233	0.4
61.98827	3.7
64.47059	0.4
69.33580	1.6
69.34011	2.0
72.98948	0.5
73.52424	0.5
78.95908	1.0
79.95351	0.6
79.95766	2.0
86.65798	0.5
95.95219	0.6
96.96008	72.5
99.04522	1.0
101.53530	0.5
107.03001	0.4
126.70882	0.4
128.58530	0.4
152.99652	0.8
180.44615	0.5
191.05646	0.6
195.02211	0.5
202.31528	0.5
249.15112	0.6
262.20547	0.5
265.14758	100.0
266.15079	7.5
555.28796	0.5
607.25287	1.8
608.25391	0.5
620.55914	0.5
779.40063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38723	0.5
59.01380	100.0
59.39254	0.5
60.01709	1.8
61.98835	0.9
65.60062	0.6
65.69030	0.5
70.02514	2.5
71.01386	8.8
72.09885	0.6
73.02949	3.2
83.01383	1.1
85.02945	3.5
89.02450	1.2
94.88110	0.5
96.96016	1.2
99.00919	0.7
99.04521	18.4
101.02429	6.5
105.01380	0.6
113.02453	4.2
159.02956	1.0
161.04552	4.6
166.71094	0.6
191.05658	1.1
213.17325	0.7
219.65269	0.6
249.11337	1.0
258.26248	0.7
279.12723	0.6
315.18069	8.8
357.19150	4.6
358.19949	1.0
572.90717	0.7
602.62286	0.6
630.77368	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
64.23343	0.9
67.01899	1.7
70.20355	3.3
70.20737	2.0
71.01379	9.4
73.02938	3.4
75.31543	0.9
83.01402	1.3
85.02955	5.7
87.00874	3.2
89.02443	1.5
93.03452	9.5
96.96024	1.1
98.20580	1.2
99.00887	1.7
99.04523	6.3
101.02438	8.9
108.02161	1.1
113.02483	4.7
124.01658	2.5
125.02399	1.1
133.02904	1.0
134.03751	3.2
135.04530	29.0
151.04028	3.9
161.02512	1.0
161.04556	5.6
171.10249	2.9
173.04536	3.0
179.03467	5.3
180.04324	1.3
191.05617	6.7
209.11819	3.3
227.12878	1.0
233.11847	1.5
246.95178	1.0
257.08182	2.2
258.96350	1.1
307.08148	1.5
308.09000	6.9
314.04340	1.8
315.18088	15.1
329.06427	2.4
352.07892	15.4
353.08435	1.1
355.17523	1.1
357.19104	11.1
358.19623	1.8
449.14554	12.2
450.14853	1.4
680.64685	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.4
57.03444	0.9
59.01380	100.0
60.01712	1.1
61.98836	0.5
63.03084	0.4
68.73253	0.4
71.01382	12.5
71.52750	0.6
73.02950	6.7
74.18394	0.5
79.95752	0.4
83.01405	2.0
85.02950	4.8
87.00887	0.5
89.02448	2.8
93.38757	0.5
95.01405	1.0
95.95242	1.0
96.96053	1.0
97.03053	0.5
99.00900	1.1
99.04520	17.8
101.02448	8.3
104.51823	0.5
113.02448	4.7
119.03557	1.2
131.03473	0.6
143.03526	1.1
144.07834	0.5
149.02480	0.8
150.03241	0.5
159.03036	0.6
161.04547	3.8
165.05589	0.9
191.05664	1.4
249.11362	0.6
313.16547	9.5
314.16968	0.5
329.14053	1.1
355.17560	6.1
356.18134	0.5
563.93805	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
64.23343	0.9
67.01899	1.7
70.20355	3.3
70.20737	2.0
71.01379	9.4
73.02938	3.4
75.31543	0.9
83.01402	1.3
85.02955	5.7
87.00874	3.2
89.02443	1.5
93.03452	9.5
96.96024	1.1
98.20580	1.2
99.00887	1.7
99.04523	6.3
101.02438	8.9
108.02161	1.1
113.02483	4.7
124.01658	2.5
125.02399	1.1
133.02904	1.0
134.03751	3.2
135.04530	29.0
151.04028	3.9
161.02512	1.0
161.04556	5.6
171.10249	2.9
173.04536	3.0
179.03467	5.3
180.04324	1.3
191.05617	6.7
209.11819	3.3
227.12878	1.0
233.11847	1.5
246.95178	1.0
257.08182	2.2
258.96350	1.1
307.08148	1.5
308.09000	6.9
314.04340	1.8
315.18088	15.1
329.06427	2.4
352.07892	15.4
353.08435	1.1
355.17523	1.1
357.19104	11.1
358.19623	1.8
449.14554	12.2
450.14853	1.4
680.64685	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57296	0.1
57.79509	0.1
61.98829	100.0
74.96340	0.2
78.95896	0.2
108.55979	0.2
132.03700	0.2
135.37321	0.2
143.28896	0.2
143.97990	0.2
172.56696	0.2
185.69878	0.2
214.51747	0.2
229.53151	0.2
303.00107	0.2
305.09766	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26174	0.2
61.10999	0.2
61.98829	100.0
64.20830	0.2
69.84483	0.8
90.07504	0.2
91.67938	0.2
150.78555	0.2
176.38370	0.2
181.94807	0.2
266.72510	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.3
68.88079	0.2
69.58990	0.2
70.96207	0.4
70.96528	0.4
72.46581	0.2
79.95731	20.7
80.96513	5.4
93.03432	0.3
96.96023	0.6
109.03022	0.3
115.48327	0.2
119.05027	0.3
135.04523	0.3
137.02396	0.5
138.03259	0.2
150.03223	0.3
163.03972	1.0
164.04779	82.6
165.05125	4.7
177.05612	0.2
179.07121	69.3
180.07449	3.6
191.05641	0.5
244.00497	0.2
259.02777	100.0
260.03098	6.5
261.02722	0.3
278.71210	0.2
375.61774	0.2
398.37619	0.2
440.14609	0.2
548.70148	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.5
57.21530	0.6
59.01366	2.8
60.59441	0.6
61.98532	1.2
61.98830	12.8
69.82255	0.7
71.52180	0.9
75.24605	0.7
78.17893	0.7
88.03521	0.7
96.96006	1.3
97.02937	0.9
99.04517	100.0
100.04810	3.7
107.74641	0.8
134.03728	0.5
134.89459	2.7
135.04521	2.5
136.89192	2.8
142.21150	0.6
143.05023	0.6
149.06006	0.8
159.08186	1.0
167.13202	0.7
171.08089	1.0
175.07654	1.8
181.10172	1.4
183.11815	1.1
187.07558	0.8
189.09204	1.1
191.05565	1.6
195.08199	1.2
199.11336	1.4
201.09229	2.0
201.23399	0.7
203.07127	1.5
205.08708	0.9
213.09189	2.9
217.08778	0.8
227.07149	0.8
227.10889	0.7
231.10278	2.5
243.10223	4.1
244.10730	0.7
245.08122	2.3
257.08145	6.2
258.08560	0.8
275.09250	5.0
276.09628	0.7
291.13940	0.8
383.20313	1.1
401.21231	1.8
413.21365	1.1
445.20163	1.9
489.19006	1.5
501.19159	2.1
545.25262	0.7
575.26593	0.8
589.23840	0.9
619.25110	0.9
647.35510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.6
57.03447	0.8
58.00593	0.4
59.01378	100.0
60.01705	1.4
65.04008	0.3
69.03472	0.6
69.71008	1.5
71.01377	17.3
72.01744	0.4
72.99311	0.4
73.02943	17.5
75.00876	0.7
79.20895	0.2
81.03482	0.3
83.01382	5.2
85.02949	4.5
87.00886	0.8
89.02445	4.3
89.97032	0.2
95.01379	0.9
97.02977	0.8
98.20623	0.5
99.00893	0.8
99.04522	6.8
101.02441	18.8
102.02798	0.4
113.02446	8.7
113.03251	0.4
119.03485	2.0
125.02464	0.9
131.03485	1.6
136.58044	0.2
143.03539	1.9
143.05013	0.6
149.04536	3.1
155.03592	0.5
157.06573	0.4
159.02985	0.5
159.08105	1.5
161.04558	7.5
161.05881	0.4
162.04958	0.3
170.07466	0.4
171.06799	0.3
171.08211	0.8
172.25204	0.3
175.07750	0.3
177.05685	0.3
183.08185	0.7
185.06021	0.3
187.07555	0.4
191.03471	0.2
191.05583	0.4
198.06909	0.3
201.09209	1.8
203.05606	0.9
203.07274	0.4
213.09236	1.5
215.07140	0.6
221.06636	1.3
229.08594	1.6
231.10262	6.1
232.10510	0.3
245.08154	3.8
246.08551	0.4
257.08243	1.6
275.09302	2.2
296.29367	0.2
315.18106	5.9
316.18521	0.6
328.86105	0.3
341.03488	0.3
357.19177	3.3
358.19638	0.3
791.13745	0.3
805.24182	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	20.0
69.22967	39.8
76.60098	3.5
87.40905	3.9
87.94648	3.7
88.90614	3.7
95.05055	3.9
103.72245	3.5
105.49920	4.7
138.46968	4.0
150.08054	3.8
201.11319	35.3
202.11491	4.6
209.11812	53.4
227.09494	4.1
227.12819	14.0
235.08206	10.7
253.09335	14.8
277.21719	100.0
277.24603	3.5
278.22086	12.4
376.01721	3.7
376.92303	4.3
426.84912	3.9
437.20465	7.7
461.54709	4.0
513.30298	8.3
519.46912	4.5
777.41449	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	775.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.4
61.49846	0.7
71.01353	0.8
71.52509	0.9
73.08150	0.8
96.95992	1.7
101.02418	1.2
101.86185	0.7
111.00866	1.3
121.91554	0.7
134.70932	0.7
136.24701	0.7
137.02425	1.2
163.04033	1.7
164.04785	97.7
165.05109	5.5
179.07132	100.0
180.07484	5.7
183.10281	0.7
191.05557	2.1
215.54062	0.8
303.12573	0.9
341.12415	32.6
342.12643	2.9
439.95624	0.9
523.19867	1.3
775.21521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76858	25.0
61.98829	100.0
71.08871	49.4
78.95913	39.1
87.75454	25.7
96.75725	27.0
104.91695	29.1
126.42229	28.9
141.36317	25.8
152.99622	49.2
161.56621	27.6
166.38728	28.9
166.79398	25.2
202.58391	30.3
210.72818	25.9
246.38286	30.9
277.21692	84.2
300.30276	32.6
367.30069	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	775.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20363	0.1
59.01386	0.6
69.15028	0.1
69.37127	0.9
71.01369	0.2
73.02921	0.2
73.88100	0.1
78.95903	0.9
79.95734	3.5
89.15484	0.1
94.98082	0.1
96.96008	100.0
97.95934	0.4
101.02408	0.1
103.88783	0.1
157.00841	0.1
191.05595	0.2
225.05324	0.1
226.93143	0.1
241.04956	0.1
256.07202	0.2
271.09680	0.3
492.17926	0.1
523.19824	0.4
527.25354	0.1
731.31122	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22926	0.2
61.98831	100.0
62.98537	0.3
65.46259	0.1
66.81799	0.1
71.00083	0.2
71.00404	0.3
78.95925	0.3
85.02961	0.5
94.20440	0.1
99.04523	0.2
119.41144	0.1
128.77740	0.2
149.06038	0.1
149.16415	0.1
171.10229	0.2
191.05708	0.2
202.42709	0.1
233.12022	0.2
248.14113	0.2
256.09219	0.1
319.22659	0.7
320.23181	0.4
544.60101	0.2
776.48169	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17647	0.1
61.98830	100.0
62.98536	0.1
69.75645	0.3
69.76048	0.5
85.02954	0.2
86.86095	0.1
98.20570	0.2
99.04498	0.6
109.70100	0.1
191.05617	0.4
245.08199	0.2
275.09344	0.2
327.58563	0.1
651.13647	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98529	0.2
69.27402	1.6
78.95945	0.3
85.02975	0.5
85.93571	0.2
99.04543	0.2
105.65833	0.2
117.01918	0.2
147.38539	0.2
191.05531	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.301
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76654	0.3
69.29556	2.9
79.95734	27.0
80.96510	0.4
81.95303	0.5
87.33653	0.3
93.75062	0.4
96.49264	0.3
96.96017	0.5
134.43697	0.3
135.04527	5.2
149.06039	0.4
163.04015	46.4
164.04333	2.9
177.05525	0.6
178.06355	51.8
179.06686	4.1
193.08698	44.7
194.09019	3.3
195.09431	0.4
197.03139	0.4
216.34244	0.5
243.41380	0.3
257.99622	0.4
258.02039	1.5
273.04373	100.0
274.04700	7.6
275.04022	2.0
351.66995	0.4
643.53723	0.4
716.37976	0.4
750.26831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43611	3.0
79.95732	26.6
80.11295	0.4
80.96532	0.4
86.34721	0.5
96.96006	0.5
135.04504	3.3
163.03998	45.5
164.04332	2.0
178.06339	51.6
179.06705	3.1
193.08679	45.1
194.09015	3.0
258.02075	1.3
273.04367	100.0
274.04715	7.1
304.58890	0.5
465.18970	0.4
479.43814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03885	0.5
59.01354	0.4
62.80510	0.4
71.52013	0.5
71.52468	0.7
72.65997	0.6
79.95733	24.8
81.95278	0.7
85.02979	0.5
96.96010	7.3
106.85170	0.5
128.33542	0.5
131.38689	0.7
135.04495	4.2
150.03242	1.2
163.03999	41.3
164.04288	2.7
165.05562	1.6
177.05583	0.8
178.06340	46.9
179.06755	2.7
191.05583	1.2
192.33072	0.5
193.08684	42.7
194.09013	3.8
195.06714	0.8
208.13290	0.5
258.01913	1.2
259.14740	0.5
273.04367	100.0
274.04688	8.1
275.04056	1.1
310.14218	0.5
501.18256	0.5
565.21014	0.6
677.06567	0.6
714.62006	0.5
764.85577	0.6
775.18958	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.7
58.00582	2.1
58.43145	1.3
59.01376	73.6
59.97926	1.3
69.03461	2.2
71.01382	45.8
72.99312	2.0
73.02943	83.4
74.03304	1.3
81.03455	1.7
83.01386	18.6
85.02953	4.8
85.06583	1.5
87.00892	1.7
89.02475	2.5
93.03436	4.0
97.02926	3.6
97.06619	1.5
99.04515	100.0
100.04871	2.8
101.02441	41.5
102.02782	1.5
109.06525	1.3
113.02457	13.5
113.06082	5.4
119.03458	1.4
119.86037	1.3
123.04530	3.5
125.02447	7.1
131.03543	1.8
141.05569	10.8
143.03493	9.1
149.04501	1.7
149.06021	1.8
150.03302	2.0
151.04045	1.9
153.05615	2.4
155.03511	3.9
157.03700	1.1
158.69547	1.2
161.04507	6.8
165.05521	3.2
171.06633	4.3
176.08427	13.6
191.05615	3.5
191.10760	5.6
195.06670	1.9
195.13957	1.6
203.05557	8.7
239.13066	2.5
243.08694	2.5
265.14450	13.5
277.48322	1.6
294.30011	1.3
298.44766	1.3
301.11032	1.9
347.12061	2.3
374.26172	1.2
425.05786	1.3
466.14655	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4607
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68322	0.8
69.03462	1.0
78.95904	47.5
80.96484	1.2
96.96959	3.6
97.02981	1.4
98.19858	1.9
109.06544	0.9
111.08163	5.8
119.08592	0.9
122.97592	1.0
137.09708	1.3
145.77516	0.8
152.99583	55.9
153.99910	1.0
163.11313	1.2
165.12898	1.1
165.23856	0.8
169.12325	2.5
171.00580	5.1
171.10258	4.5
179.70184	0.8
181.12338	1.3
183.13939	1.4
185.11769	1.6
195.13882	0.9
197.11832	23.7
209.11742	1.7
209.15453	3.2
211.13374	3.8
223.17101	1.2
225.14958	2.6
227.03192	4.1
245.04291	1.1
251.16496	1.9
253.21710	28.2
254.22021	3.1
255.23299	9.5
256.23703	1.1
263.20001	1.2
272.07703	1.1
273.18567	1.3
289.18121	2.0
291.19626	7.8
309.20715	14.6
310.20969	1.7
399.83533	1.0
445.20001	5.4
483.27020	1.2
519.23511	3.6
536.23065	1.2
537.24652	100.0
538.24921	13.0
773.46075	63.3
774.46533	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	773.4607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	1.3
61.98834	1.3
62.24960	1.1
62.73666	0.9
70.25998	1.1
73.02964	1.1
78.95905	54.2
80.96515	1.9
85.02957	1.4
96.96963	4.3
97.02947	5.2
97.06599	1.8
98.20657	2.8
100.98618	1.2
109.06567	1.4
111.08134	3.4
119.08652	1.1
121.10221	1.6
122.97562	1.5
123.08163	1.5
125.09699	1.7
137.09732	1.8
152.99580	61.5
165.12877	1.6
171.00641	7.1
171.10275	8.8
179.89182	1.6
181.12350	1.1
185.11786	1.8
197.11838	10.8
209.11772	1.5
211.13377	17.7
212.99232	1.1
221.11848	1.6
227.03264	4.4
245.04280	2.2
247.20526	1.4
251.16478	3.6
253.19263	2.1
253.21738	30.4
254.22066	3.2
255.23204	6.7
263.20056	1.2
273.18570	1.3
289.18304	1.8
291.19666	24.0
292.20001	3.1
309.20651	13.1
445.19965	4.4
473.66229	1.1
519.23413	7.6
536.23407	1.5
537.24652	100.0
538.25024	14.7
543.56506	1.2
753.00464	1.1
755.45013	1.6
773.46069	64.3
774.46106	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	773.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07875	0.2
59.01375	0.4
61.98829	4.0
69.13906	0.2
71.01383	0.8
71.52453	0.4
78.95902	5.1
79.95734	3.5
85.02981	0.2
86.78851	0.2
89.02410	0.3
96.96011	100.0
96.96902	5.3
97.95951	0.4
99.04534	0.7
107.13306	0.2
108.34622	0.2
112.44128	0.2
114.02061	0.2
117.03920	0.2
131.02681	0.2
131.47041	0.2
152.55225	0.2
153.40356	0.2
158.00166	0.2
169.01495	0.2
171.10316	0.4
277.21704	0.4
397.13840	0.4
435.08405	0.4
453.09433	0.7
572.15155	0.2
713.30817	0.9
773.40295	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
57.03450	1.0
59.01378	100.0
61.98841	2.0
67.06406	0.8
69.03451	1.7
71.01381	41.6
71.52109	1.0
72.01711	0.9
72.99304	2.1
73.02943	40.2
74.03248	0.9
75.00876	0.8
83.01394	12.3
85.02945	9.3
87.00870	2.1
89.02448	14.1
93.03469	1.3
95.01366	2.3
96.96020	3.9
97.02925	1.5
99.00881	1.1
101.02441	42.4
113.02451	25.9
113.03038	0.6
114.02841	0.9
119.03485	8.8
125.02426	3.0
131.03522	5.2
133.02901	0.9
135.04489	2.6
143.03487	6.2
149.04556	5.5
151.26959	1.0
155.03487	2.4
161.04535	12.0
179.05603	3.8
191.05632	4.0
203.05617	3.3
203.10782	1.3
221.06616	1.8
247.07858	0.9
395.13687	1.8
402.09622	0.9
627.33185	1.0
643.33325	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	773.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34420	0.2
59.01379	0.2
61.98828	4.4
69.27934	0.2
71.01388	0.3
71.52595	0.2
78.95900	4.0
79.95736	3.9
82.40844	0.2
88.86254	0.2
94.98096	0.3
95.37564	0.2
96.96008	100.0
96.96896	4.9
97.95925	0.3
98.02454	0.2
99.04534	0.3
112.87119	0.2
118.96577	0.3
125.02450	0.2
125.46316	0.2
129.82483	0.1
131.45837	0.2
149.06090	0.2
165.38997	0.2
183.83339	0.2
205.66129	0.2
209.11850	0.3
241.73355	0.2
305.88669	0.2
397.13565	0.4
415.14859	0.3
435.08307	0.4
441.98865	0.2
453.09396	0.5
713.30957	0.4
773.41235	0.5
776.40521	0.2
776.81714	0.2
803.72791	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38369	0.3
59.01382	2.9
71.01393	0.4
71.52216	0.7
84.54111	0.3
85.02947	2.9
94.36771	0.3
97.35648	0.4
99.56768	0.3
101.02415	0.5
103.61737	0.4
121.02921	0.4
122.03796	0.5
135.04544	0.5
147.04558	0.6
148.05302	100.0
149.05623	5.4
163.07646	97.4
164.07974	6.0
201.09161	1.0
213.09167	0.6
214.29146	0.4
229.08701	1.3
231.10262	3.1
245.08183	1.1
257.08191	0.6
275.09280	0.8
367.13800	0.7
779.80341	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
57.73252	0.9
59.01374	2.7
61.98830	15.0
62.41890	0.8
78.20107	0.9
78.95906	2.3
86.08855	1.0
96.96026	4.5
98.20694	1.4
99.04517	100.0
100.04846	3.1
125.02462	1.5
143.05060	1.4
147.44518	1.0
152.99580	1.6
157.06593	1.5
159.08130	2.5
171.08145	2.1
171.10332	1.5
183.08147	1.4
185.06171	1.1
185.11874	2.2
191.05602	2.3
201.09200	4.0
213.09169	4.9
221.33136	1.0
231.10208	10.5
232.10533	1.1
245.08162	6.1
257.08212	6.6
259.09735	1.4
275.09201	9.4
276.09589	1.5
291.19815	1.4
380.16873	1.1
406.69394	1.1
469.05142	2.5
475.19733	14.3
476.19992	3.5
498.12335	0.9
773.29266	11.1
773.41528	1.8
774.29675	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	771.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89326	0.4
59.01369	0.6
61.14880	0.4
62.97292	0.4
64.00287	0.5
68.88631	0.5
69.39147	1.7
69.39577	1.9
79.95732	25.0
85.02953	0.5
135.04527	3.3
142.05132	0.5
163.04002	44.5
164.04309	2.1
178.06343	52.0
179.06683	3.5
180.22414	0.4
183.25044	0.4
191.05623	5.9
193.08684	45.5
194.09042	3.1
250.44801	0.5
258.01898	1.5
273.04367	100.0
274.04709	9.1
275.04138	2.0
319.06458	1.7
420.42551	0.4
475.53897	0.5
667.38654	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.9
63.03110	0.4
67.24141	0.3
71.01385	1.1
79.95737	25.7
85.02947	0.8
87.00864	0.6
89.02447	0.6
93.03471	0.7
96.96014	1.1
98.20694	0.9
99.00867	0.4
101.02441	0.4
113.02457	0.5
135.04504	4.8
163.04005	46.0
164.04315	2.4
178.06352	53.7
179.06659	3.1
191.05614	4.4
193.08691	46.8
194.08990	2.9
215.10588	0.4
223.36327	0.4
241.08630	0.6
258.02048	1.5
273.04373	100.0
274.04712	7.9
301.30664	0.4
319.06491	0.9
667.38367	1.8
685.39832	0.7
727.41321	0.5
771.24329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.0
61.98829	20.9
69.03471	2.4
71.01410	2.7
71.52972	1.6
71.53371	1.5
76.95855	1.3
78.95931	4.0
79.95753	3.0
80.96522	17.0
93.03457	2.0
94.98106	3.4
97.02975	3.0
99.04515	46.4
100.04882	1.5
105.07129	2.9
105.86469	1.6
107.05093	1.6
109.02998	2.3
111.04542	5.9
119.05062	2.0
133.06638	2.2
143.05093	1.5
147.04651	1.5
147.08183	2.9
149.06149	3.2
152.98514	1.3
152.99655	2.2
153.07173	1.3
159.08209	2.6
161.06107	2.3
164.98651	2.2
171.08162	1.9
173.06206	2.0
183.08208	5.7
185.06023	2.6
186.06934	1.8
191.06989	1.4
197.05981	1.4
197.09856	2.0
197.72527	1.4
199.07678	1.3
199.11278	2.5
201.09357	3.7
211.11409	2.9
213.09309	2.6
219.10263	2.0
225.00769	3.7
225.09210	3.0
237.09381	2.5
241.12411	1.8
243.10371	4.0
255.10457	1.9
255.23343	2.8
277.21695	2.3
283.13416	1.7
287.09286	2.8
309.28110	1.7
325.31335	3.0
349.31094	20.6
350.31610	3.2
351.29117	3.4
393.30112	39.2
394.30634	6.0
429.82813	1.7
434.51413	1.8
456.94516	1.3
470.35675	1.4
471.90689	1.5
507.42136	2.5
607.39911	1.9
669.40216	14.7
670.40643	3.3
751.40155	1.6
769.45624	100.0
770.45959	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4531
Annotation	Tasipeptin B
Peak:m/z	Relative Intensity
57.03203	0.6
57.03448	8.2
59.01357	1.3
61.98820	2.2
65.03947	1.0
66.95516	0.7
69.03464	0.8
69.06274	0.5
69.78901	1.5
69.79324	2.1
78.95908	1.0
81.03460	11.4
83.01380	2.7
83.05029	1.7
91.05518	1.3
93.03460	1.6
95.05024	1.6
97.02934	1.3
98.20594	0.8
99.04514	34.2
100.04835	0.9
105.07072	1.5
107.05000	2.4
108.05313	0.7
109.02954	1.1
109.06580	4.8
111.04498	2.7
117.03439	0.7
119.05004	1.5
121.06527	0.8
122.97555	0.8
123.04509	1.5
125.02438	6.4
131.05057	0.7
131.08621	0.6
133.06573	3.1
135.04498	2.6
137.02412	1.1
139.07617	0.7
143.04980	0.7
147.04512	0.9
147.08151	1.7
148.92781	0.7
149.06041	2.7
151.07558	1.9
152.99615	0.7
155.04930	0.7
157.06509	1.5
157.10201	1.0
159.04549	0.7
159.08095	1.7
161.06111	1.5
169.06459	0.7
169.10266	0.7
171.04517	0.7
171.08096	2.7
173.06017	1.5
175.04016	1.3
175.07510	0.7
181.06517	0.8
183.08104	3.7
185.06062	1.4
185.09717	1.1
186.06702	0.7
189.05482	1.0
191.07202	0.9
195.08092	2.2
197.05981	0.6
197.09720	0.9
198.06851	0.7
199.11235	2.3
201.09175	1.9
203.07045	0.7
207.08044	0.8
209.09621	0.7
210.06871	0.8
211.07735	1.4
211.11227	1.5
213.09248	1.5
215.07013	0.9
223.11267	1.5
225.09181	4.0
227.07057	1.3
235.07771	0.6
235.11308	0.9
237.09128	1.6
241.12292	1.4
243.10262	3.2
255.10210	1.2
265.12329	0.9
269.08340	0.9
277.21487	0.7
279.10114	0.7
283.13181	1.5
287.09262	1.2
351.29062	0.9
353.97989	0.7
393.30048	14.9
394.30231	1.4
498.72070	0.7
533.21387	1.5
603.21143	0.8
651.37604	0.8
669.39990	10.8
670.40662	2.1
728.10345	0.7
754.34015	0.7
769.45245	100.0
770.45728	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	769.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84891	0.5
57.03438	0.5
58.00593	1.1
59.01380	34.2
60.01692	0.8
70.40192	1.5
71.01382	18.0
72.99288	1.3
73.02978	0.7
78.48574	0.5
83.01394	0.9
85.02932	2.7
87.00864	0.8
89.02444	20.3
95.01400	1.6
98.20003	0.6
99.08102	0.6
101.02443	13.6
113.02453	7.9
119.03506	8.0
119.04985	4.2
121.21152	0.6
131.03546	0.6
143.03539	0.9
143.07159	0.7
160.05261	0.7
161.08179	0.7
163.03979	3.8
175.07637	1.3
179.05566	0.8
191.79114	0.6
281.13956	2.1
323.13455	100.0
324.13785	8.5
325.13565	0.8
329.13983	4.1
359.14954	1.1
372.38498	0.7
535.79749	0.6
539.70331	0.6
656.18219	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4529
Annotation	Tasipeptin B
Peak:m/z	Relative Intensity
57.03440	2.1
59.01368	1.0
61.98830	32.7
65.03951	0.9
69.03477	0.9
70.05369	0.6
71.01404	1.0
71.51869	0.8
78.95914	1.4
78.98602	0.7
79.05524	0.7
79.95765	0.9
80.96514	9.2
81.03468	0.6
81.53447	0.5
82.96095	0.5
83.05028	1.0
85.02943	0.7
87.85204	0.5
94.98061	1.0
95.05035	1.6
97.02947	2.1
98.72018	0.5
99.04517	30.1
100.04845	0.8
105.07098	1.5
107.05035	1.6
109.02908	1.2
109.06604	1.6
111.04511	3.4
117.03431	0.8
119.05040	0.9
121.02888	0.7
121.06599	1.5
122.97575	0.6
123.04512	0.9
130.04337	0.6
131.05055	0.9
133.06593	1.9
133.07529	0.6
135.04512	1.8
139.07582	0.7
143.05013	1.0
145.06566	0.9
147.04570	0.7
147.08081	1.4
149.06078	1.7
152.98628	1.2
155.08716	0.9
157.06552	0.8
159.08115	1.3
161.06122	0.8
164.98627	1.0
171.08200	1.1
173.06088	1.7
173.09686	0.6
175.04016	0.6
181.06686	0.7
181.10231	1.0
183.04590	0.6
183.08115	3.6
185.06075	1.2
185.09680	1.2
186.06671	0.7
187.04156	0.6
193.10158	0.6
195.08249	0.8
197.06172	1.0
197.09695	1.3
199.07658	1.0
199.11304	1.6
201.09189	1.6
209.99330	0.5
211.07686	0.6
211.11244	1.7
213.09200	1.3
214.06465	0.7
221.09903	0.6
225.00740	1.6
225.09235	3.0
227.06990	0.7
237.09138	1.3
239.07158	0.9
240.07808	0.5
241.12350	0.8
243.10245	3.3
245.08235	0.9
255.10281	1.6
269.08139	0.6
281.08130	0.7
287.09259	1.7
287.84912	0.6
299.09256	1.3
309.28040	2.7
323.29404	1.3
325.30957	1.5
349.31039	11.5
350.31537	1.3
351.29120	1.8
393.30127	11.9
394.30490	2.2
551.41211	0.7
570.24933	0.6
607.40381	0.8
619.64124	0.6
651.38953	1.1
669.40015	10.4
670.40637	2.2
769.45398	100.0
770.45734	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
57.03427	0.6
59.01382	9.4
61.98837	5.6
67.23723	0.4
71.01388	7.6
71.52887	0.6
73.02946	7.2
83.01379	2.1
85.02942	2.0
87.00836	0.6
89.02446	2.2
95.01390	0.6
96.96011	1.3
97.02926	0.5
99.04512	0.6
101.02449	6.1
113.02457	2.0
117.03484	0.5
119.03504	0.5
121.02885	0.6
126.90397	0.6
135.04607	0.5
171.10391	0.7
185.02406	2.3
191.05623	2.7
209.11812	1.0
210.11984	0.4
225.11478	0.6
299.20151	37.4
300.20551	4.6
301.03568	2.6
317.21234	2.0
393.22845	0.5
440.75922	0.5
461.25320	2.7
462.25476	0.6
479.26508	6.8
480.26508	0.8
521.27533	100.0
522.27863	16.7
534.34143	0.6
563.28625	2.3
585.03412	0.5
769.22632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98962	1.3
59.01382	13.9
61.67926	1.4
61.98827	17.9
69.73087	7.3
69.73492	3.1
71.01366	6.6
73.02956	7.9
85.02945	4.6
87.00864	2.5
89.02438	2.4
93.03417	1.8
96.96026	4.2
99.00846	1.8
99.04520	1.6
101.02437	8.1
113.02414	2.8
135.04546	2.0
171.10258	1.7
191.05609	7.0
193.37732	1.4
209.11783	3.2
224.93196	1.4
225.11336	1.7
227.12971	2.4
299.20151	39.9
300.20575	3.9
317.21188	1.6
461.25491	6.8
479.26443	6.4
521.27557	100.0
522.27936	15.5
563.28650	12.9
564.29102	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	769.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.1
71.01384	4.5
71.29502	1.4
73.02945	2.4
89.02454	2.3
93.03457	75.2
94.03751	1.8
96.95987	2.2
101.02451	3.1
109.02921	1.5
113.02456	1.4
119.03416	1.7
121.02969	3.4
122.03821	1.3
147.04501	1.9
149.02472	1.5
150.03217	4.6
151.03934	1.2
158.03711	1.7
159.04504	5.4
160.05290	23.9
161.04620	1.6
161.06003	4.8
163.04015	3.6
164.04807	4.3
173.06058	2.9
175.07635	22.7
176.08266	3.1
177.05606	6.3
178.06325	9.2
179.05615	1.6
191.05632	4.6
191.10890	1.7
193.08670	1.5
201.69144	1.0
265.14398	2.3
293.20126	1.2
297.09860	3.3
315.85071	1.1
329.13928	100.0
330.14313	11.9
359.14963	24.6
360.15305	2.5
473.18320	1.5
503.19406	1.8
521.20581	2.0
533.20398	1.4
563.21082	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	769.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82696	0.6
59.01376	8.1
65.57037	0.6
69.29458	5.3
71.01383	3.8
83.01379	0.8
85.02956	1.3
87.00833	0.8
89.02453	2.1
93.03458	57.2
94.03800	1.1
96.95980	0.8
101.02441	1.7
101.70871	0.6
113.02421	1.3
119.03526	1.0
121.02953	2.8
122.03727	1.0
123.00847	0.7
134.03760	0.6
134.57152	0.6
136.01685	0.7
136.05194	0.8
137.02411	1.0
147.04504	1.0
148.86725	0.6
149.02393	0.7
149.05968	0.9
150.03226	2.7
158.03729	1.3
159.04520	6.6
160.05301	21.1
161.04610	1.5
161.06036	6.5
163.03996	4.0
164.04776	4.9
173.06027	3.3
175.07649	22.9
176.08354	3.2
177.05576	5.9
178.06375	7.1
191.05663	1.5
191.10832	1.4
191.50038	0.6
192.07945	1.6
193.08627	2.5
203.05724	0.6
213.00467	0.8
222.05725	0.6
265.14374	2.3
297.09821	1.8
311.09305	0.9
314.11475	0.7
329.13931	100.0
330.14301	11.4
359.14996	22.0
359.18549	0.5
360.15308	3.4
366.56171	0.6
503.19290	2.5
521.20209	2.4
533.20404	1.2
563.21204	4.1
564.21423	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27777	1.6
58.00589	3.5
59.01377	100.0
69.48817	10.1
71.01379	65.2
71.01781	2.4
72.99303	6.0
73.02946	6.7
78.49830	1.4
83.01395	4.6
85.02946	11.3
85.50446	1.4
87.00890	3.3
89.02441	77.7
90.02758	1.9
95.01390	4.1
96.95993	2.0
98.20625	3.5
101.02444	34.6
113.02447	29.5
119.03495	29.4
125.02457	1.8
131.03519	5.7
143.03505	7.7
149.04539	6.6
161.04536	10.9
173.04564	2.0
179.05612	39.1
180.05956	2.4
191.05653	8.2
239.10721	1.8
255.10222	2.7
257.70667	1.7
283.09705	20.9
294.09152	2.0
295.09723	1.9
297.18921	1.9
311.09229	44.2
311.12830	3.2
312.09589	3.2
325.10822	5.2
326.11536	37.4
327.11972	5.9
336.89923	1.9
341.13904	55.3
342.14294	8.1
441.75330	1.7
473.18387	2.0
491.19241	5.0
500.32614	1.8
503.19217	3.2
533.19946	7.9
545.20148	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	768.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87061	0.3
55.97818	0.3
61.98829	100.0
71.01367	0.3
71.53224	0.4
73.14968	0.3
77.10057	0.2
78.95920	0.4
79.95744	0.3
80.96524	2.4
93.30800	0.3
94.98134	0.4
99.04526	0.4
100.05805	0.2
134.97496	0.3
144.31575	0.2
152.99675	0.4
164.98663	0.3
165.59836	0.3
217.08720	0.4
225.00781	0.6
229.08563	0.5
277.21762	1.1
278.22162	0.4
349.31281	0.3
393.30273	1.6
394.30621	0.8
538.51520	0.3
604.93616	0.3
634.45959	0.3
669.39886	0.3
768.41754	0.6
769.39807	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.2
61.98827	100.0
71.43890	0.2
79.95754	0.2
80.96521	0.4
98.19885	0.6
127.98177	0.2
209.11800	0.2
210.12236	0.3
277.21680	0.3
562.98334	0.2
768.44116	0.3
769.40631	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33131	0.3
59.01382	5.9
60.26998	0.5
69.31145	0.4
71.01376	3.0
71.52848	0.6
73.02939	1.0
75.32475	0.4
83.01372	0.5
83.04199	0.4
85.02949	1.1
87.00876	0.6
89.02443	2.4
93.03458	50.5
94.03792	1.5
96.96001	0.9
101.02427	1.3
113.02486	0.9
119.03473	0.8
121.02966	2.5
122.03723	1.7
123.04519	0.6
124.01714	0.6
135.04536	0.9
136.01639	0.5
136.05251	0.7
137.02444	0.7
138.60811	0.5
143.03510	0.6
143.04958	0.8
147.04532	1.8
149.02432	1.3
150.03215	4.0
158.03716	1.7
159.04507	6.4
160.05296	21.3
161.04553	1.1
161.06023	6.1
163.04018	3.5
164.04790	4.2
165.05287	0.5
173.06075	3.0
175.07631	20.0
176.04839	0.8
176.08353	3.0
177.05550	5.5
178.06343	7.0
179.05563	0.7
191.05644	1.3
191.10762	1.4
192.07924	1.9
193.08669	2.5
203.05595	0.5
265.14386	2.5
297.09744	2.3
311.09314	0.8
314.11450	0.9
326.11731	0.6
329.13919	100.0
330.14273	11.2
341.10809	0.8
341.14294	0.6
359.14972	23.7
360.15262	2.8
365.18088	0.8
390.66180	0.4
473.18188	1.2
503.19174	2.5
504.19543	0.8
521.20282	1.4
533.20447	1.3
545.20966	0.6
563.20996	2.3
564.21167	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.9
58.90877	0.5
59.01378	30.8
69.32864	5.3
70.20691	0.6
71.01379	19.2
72.01698	0.6
72.92345	0.6
72.99300	1.3
73.02935	0.7
85.02958	3.6
89.02444	20.2
94.86810	0.7
95.01402	1.4
96.96020	0.7
101.02441	13.3
103.96111	0.6
112.19803	0.6
113.02443	6.5
115.64835	0.6
119.03493	9.6
131.03522	0.7
143.03500	0.6
161.08112	0.6
179.05580	1.3
191.05493	0.7
260.70901	0.6
323.13449	100.0
324.13763	7.9
611.82086	0.6
613.90082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77783	1.4
60.02979	1.6
61.98829	2.8
63.59946	1.4
63.96191	1.6
67.66531	1.5
71.01376	11.0
78.95889	6.6
78.98581	8.2
79.57172	1.5
79.95735	16.0
80.96516	100.0
81.03430	2.3
82.96116	1.7
85.02934	4.3
87.00867	4.2
87.73580	1.5
94.98080	21.5
97.02930	2.3
101.02420	2.3
106.98064	4.1
122.97566	6.6
123.25634	1.5
124.91155	1.6
125.02431	3.9
134.97568	7.1
135.87335	1.5
136.99124	1.8
148.61505	1.5
148.99171	7.4
152.98570	6.6
152.99586	5.8
164.98662	10.7
196.89505	1.7
206.99728	2.0
225.00734	25.1
255.23299	4.7
276.84290	1.8
279.23224	7.6
279.34082	1.6
767.42389	98.3
768.42633	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	767.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.8
60.99304	16.3
70.63088	0.5
71.01392	0.4
71.52205	0.4
85.02945	0.5
87.00871	1.4
88.00404	2.4
88.98802	100.0
89.02434	5.1
89.99146	1.0
96.96015	0.6
115.28133	0.3
118.07777	0.3
121.24512	0.4
139.13170	0.3
162.73953	0.4
191.05586	1.2
263.33252	0.3
299.80151	0.4
311.71878	0.4
641.83844	0.4
677.49725	1.2
678.50476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45841	0.6
59.01381	3.2
60.51855	0.5
64.50526	0.6
69.53977	3.5
70.47901	0.5
71.01385	2.2
71.71906	0.5
78.17809	0.6
85.02965	1.4
89.02454	1.1
93.03456	1.4
96.96015	2.0
101.02431	1.3
103.72312	0.6
108.02180	0.8
109.03033	0.9
113.02436	1.2
115.37309	0.5
121.02962	3.1
122.03717	1.5
133.02954	1.1
136.01660	55.8
137.02113	2.2
149.06105	0.6
151.04004	82.2
152.04321	3.9
160.05284	0.8
161.02493	0.7
161.04510	1.5
162.03242	1.3
163.04068	0.8
175.04013	0.7
175.07661	1.1
177.05576	1.4
179.03409	0.6
191.05595	2.2
251.05890	3.1
268.47995	0.6
286.94446	0.6
311.12979	1.0
341.95328	0.5
342.11029	3.5
351.06921	0.6
357.13419	100.0
358.13733	12.2
403.70737	0.6
501.17816	3.7
519.18958	1.2
561.19867	1.1
679.00110	0.6
768.41608	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.9
58.90877	0.5
59.01378	30.8
69.32864	5.3
70.20691	0.6
71.01379	19.2
72.01698	0.6
72.92345	0.6
72.99300	1.3
73.02935	0.7
85.02958	3.6
89.02444	20.2
94.86810	0.7
95.01402	1.4
96.96020	0.7
101.02441	13.3
103.96111	0.6
112.19803	0.6
113.02443	6.5
115.64835	0.6
119.03493	9.6
131.03522	0.7
143.03500	0.6
161.08112	0.6
179.05580	1.3
191.05493	0.7
260.70901	0.6
323.13449	100.0
324.13763	7.9
611.82086	0.6
613.90082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.41
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14321	0.6
59.01376	1.1
60.24918	0.6
61.98828	1.6
63.36880	0.6
63.96220	1.1
71.01379	7.9
73.02946	1.9
78.98591	6.6
79.95739	13.9
80.96519	77.0
81.03458	0.8
85.18976	0.5
87.00877	2.8
94.98085	17.2
96.96008	0.7
97.02955	2.2
99.00880	0.7
101.02441	2.4
106.98093	3.6
108.78114	0.6
110.92604	0.6
113.02383	0.6
122.97584	3.3
125.02458	3.6
127.04036	0.8
134.97597	6.2
136.99155	1.4
146.97832	0.8
148.99127	6.7
152.98636	7.7
164.98621	14.6
166.36847	0.6
167.00253	0.7
184.82765	0.5
206.59750	0.6
206.99683	3.3
209.11766	2.1
225.00720	25.1
226.01018	0.8
255.23273	1.5
283.04654	0.6
299.71158	0.6
387.20776	0.6
509.16730	3.0
537.27142	1.6
765.40936	100.0
766.41254	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	765.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	14.0
60.38790	0.9
61.32643	1.1
61.98821	6.8
69.03452	1.6
71.01373	4.6
71.53317	1.4
73.02939	1.7
78.58090	1.0
78.95884	1.3
78.98566	1.5
79.95726	3.5
80.96519	19.6
83.05059	1.0
87.00883	1.9
89.02431	1.6
94.98072	4.2
101.02439	3.5
111.08167	1.2
113.02409	1.1
116.92868	5.2
134.97656	1.6
148.99106	2.2
152.98466	1.3
152.99617	1.7
161.04617	1.4
164.98647	4.3
165.12868	1.8
180.13303	1.3
181.12331	3.0
191.10783	7.6
199.07680	2.1
200.08052	1.4
209.11812	54.0
210.12183	2.9
225.00745	5.9
235.08147	5.1
251.21274	1.0
253.09319	7.9
255.23335	2.1
269.17532	2.9
277.21707	100.0
278.22067	8.7
281.69650	1.3
363.28775	1.2
364.28888	1.4
407.28055	4.0
408.28384	4.2
409.28632	3.1
427.19495	2.4
445.20752	5.2
705.42816	1.7
734.65192	1.2
765.40668	24.0
766.41046	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	765.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.2
59.01377	26.7
61.98822	2.0
71.01377	4.4
71.52769	0.8
77.37414	0.5
78.98573	1.4
79.95735	3.4
80.96516	21.1
81.03490	1.5
82.96075	1.7
83.01342	0.6
85.02953	1.8
87.00842	0.8
89.02471	1.6
90.60260	0.6
94.98075	4.2
97.02949	0.7
101.02470	2.9
106.98069	0.9
113.02420	1.0
122.97572	1.2
125.02415	2.6
134.97559	1.9
136.80719	0.6
148.99147	2.4
152.98677	1.4
162.60779	0.7
164.98602	3.8
188.29253	0.7
199.07556	1.4
206.99791	0.7
209.11818	100.0
210.12172	6.4
220.12869	0.7
225.00731	6.5
226.01057	1.0
235.08270	3.5
253.09293	7.1
277.21707	89.7
278.22107	10.2
293.60318	0.7
313.92169	0.6
409.29623	3.9
445.20840	1.1
509.16946	1.0
765.40790	29.5
766.40900	6.8
766.71350	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.9
61.98819	2.0
66.60754	0.9
71.01383	11.2
71.52465	1.5
73.02943	2.6
78.95910	3.8
78.98584	8.8
79.95737	15.4
80.96516	93.3
81.03407	1.3
85.02943	4.5
87.00873	2.9
93.86479	0.9
94.98085	19.9
97.02921	1.7
101.02429	4.4
106.98089	3.7
116.92835	1.5
121.05830	1.0
122.97581	6.1
125.02419	4.9
134.97589	5.5
136.99136	2.0
148.99152	7.5
152.98627	6.9
152.99634	1.2
153.97278	1.0
164.98624	14.2
166.23868	1.1
173.71129	1.1
186.97682	1.0
206.99648	3.1
223.13336	1.4
225.00732	23.6
226.00917	1.1
255.23230	2.6
367.47525	1.0
441.88474	1.1
505.17487	2.7
537.27527	2.0
641.28979	1.3
761.41351	100.0
762.41785	27.8
781.26544	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82611	0.3
59.01356	0.3
61.98829	100.0
62.98526	0.3
67.82982	0.3
68.40898	0.2
69.16526	2.8
83.11501	0.3
88.98813	0.5
96.96039	0.3
97.41689	0.2
119.82152	0.3
122.03801	0.3
135.11710	0.3
137.77145	0.3
149.06065	0.6
150.06927	0.3
171.10295	0.6
172.10768	0.3
189.09267	0.5
191.05678	0.9
200.43466	0.2
222.32143	0.3
248.14221	0.7
263.13034	0.3
264.13580	0.4
266.15210	0.6
452.66675	0.3
650.77820	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99212	0.7
59.01372	1.2
59.10709	0.7
61.98816	2.5
63.96223	1.9
65.03126	0.7
71.01382	8.4
71.14600	1.4
73.02927	2.1
78.95895	1.8
78.98598	6.8
79.95728	15.8
80.36442	0.7
80.96515	93.0
81.03481	1.0
85.02956	2.8
87.00870	2.6
94.98076	21.5
96.96019	1.4
97.02926	2.1
99.00864	0.9
101.02448	2.2
101.90256	0.7
106.98080	3.6
111.00159	0.6
121.20494	0.7
122.97592	4.8
125.02455	3.9
134.97583	5.9
136.99142	2.0
146.97560	0.7
148.99113	6.1
152.98610	8.7
164.98611	14.5
167.00285	0.7
180.75262	0.6
206.99687	3.4
207.10220	1.2
225.00719	21.5
225.11330	1.3
255.23260	1.5
261.08911	0.9
361.85361	0.9
507.15274	3.7
537.27814	1.0
763.39374	100.0
764.26221	1.5
764.39795	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50291	0.3
59.01376	1.0
67.67478	0.3
68.81718	0.4
71.01364	0.4
71.52107	0.6
73.02940	0.4
76.58902	0.3
79.95736	24.3
82.10699	0.3
85.02975	0.4
96.96005	1.2
117.98939	0.3
135.04539	3.5
136.01620	0.5
147.95203	0.4
150.03072	0.3
163.04007	40.1
164.04356	2.3
178.06348	46.1
179.06703	3.6
183.10281	0.4
191.05585	0.6
193.08693	44.1
194.09026	3.3
258.02036	1.5
273.04379	100.0
274.04675	7.2
275.04355	0.6
297.11191	0.5
298.11441	0.5
328.12570	0.4
589.93701	0.4
764.31671	1.2
765.29492	0.7
785.45764	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18299	0.2
59.01370	0.4
60.99307	18.3
61.98829	6.4
71.01382	0.3
87.00877	1.6
88.00392	4.0
88.01211	0.3
88.98804	100.0
89.02441	13.9
89.99130	1.0
108.43962	0.3
114.98593	0.2
140.38057	0.2
168.34445	0.2
277.21851	0.6
397.13586	1.0
415.15009	0.3
753.89026	0.3
754.21954	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31412	0.2
56.06646	0.2
59.01367	0.5
60.99302	16.9
61.98827	2.8
67.18806	0.2
69.60088	1.7
71.01396	0.5
87.00865	1.4
88.00397	3.3
88.98800	100.0
89.02437	12.6
89.99133	1.1
98.99397	0.3
99.04519	0.4
101.02386	0.3
103.53229	0.2
168.23764	0.2
277.21698	0.7
281.81165	0.3
397.13287	1.3
400.61557	0.3
418.65033	0.3
732.84082	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	4.3
61.98828	74.7
64.20666	3.3
72.71516	3.2
78.95905	10.5
80.96523	5.1
82.33465	3.2
121.28678	3.4
152.99565	6.9
209.11790	58.1
227.12888	12.9
235.08203	4.5
253.09312	8.8
277.21683	100.0
278.22119	10.1
298.35989	3.5
447.21591	6.0
677.74884	4.5
759.42163	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	759.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
64.46423	3.5
66.00580	2.7
71.01376	3.1
71.51765	5.6
78.95890	5.6
82.65374	2.9
102.53311	3.3
135.25635	3.1
139.60298	2.7
152.99565	7.2
163.11252	4.0
188.51779	3.5
209.09894	4.7
209.11819	66.9
210.12126	5.4
217.68338	2.8
227.12845	13.5
253.09175	3.6
255.23199	3.5
277.21735	43.9
278.21930	3.5
389.95276	2.9
759.42023	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	759.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78512	1.5
57.03423	1.8
58.51004	1.3
59.01381	7.0
61.98828	44.3
69.41122	1.2
71.01395	3.2
71.10046	2.5
78.85913	1.4
78.95918	1.6
83.05053	1.4
85.02943	2.6
89.02438	1.8
91.94962	1.4
99.04525	7.1
101.02425	1.9
111.08191	2.1
113.02467	1.5
122.03745	1.9
134.03798	1.7
135.04546	1.6
141.98183	1.2
149.06102	5.2
171.10262	100.0
172.10616	4.4
189.09148	3.6
191.05595	3.0
197.11827	7.6
209.11800	3.3
235.08238	3.4
248.14188	3.6
249.14856	1.5
253.09233	9.1
263.12912	2.1
264.13504	1.5
291.19623	20.2
300.36871	1.7
309.20682	36.0
310.21057	2.9
407.19016	3.5
430.03830	1.7
629.99268	1.5
744.38788	2.2
759.40381	2.6
780.76813	1.5
782.38666	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.4
70.23299	0.6
71.01390	0.7
71.95577	0.5
79.95734	25.6
80.96498	0.6
81.95150	0.6
85.02935	0.6
96.95999	1.7
98.20645	1.4
108.63691	0.6
110.90535	0.6
120.99625	0.5
135.04530	4.5
150.03191	1.0
151.03989	0.7
163.04007	45.1
164.04366	2.8
165.05548	1.3
177.05525	0.7
178.06345	47.2
179.06622	3.3
191.05589	1.0
193.08690	46.7
194.09035	3.5
195.06595	1.0
240.49368	0.6
258.02081	1.3
273.04373	100.0
274.04684	6.4
327.12198	1.0
335.22253	1.4
357.13687	0.6
365.18036	0.6
389.58167	0.6
479.26456	1.3
497.27484	8.0
498.27530	1.6
539.28479	7.9
540.28717	1.1
555.28192	0.8
672.36951	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	1.1
59.01379	100.0
60.01719	1.6
69.83633	2.4
71.01384	19.5
72.99335	1.2
73.02945	15.9
83.01392	4.1
85.02955	3.4
87.00864	1.0
88.91676	0.5
89.02449	9.0
93.03489	0.7
96.96040	0.8
99.00903	1.1
101.02444	19.1
113.02454	8.6
114.02724	0.7
119.03504	4.2
122.03746	0.9
125.02473	1.1
125.28324	0.5
131.03539	1.6
131.04515	0.5
135.04526	0.7
141.66412	0.7
143.03539	2.4
149.04585	3.9
149.06070	1.0
161.04568	9.0
176.06935	0.7
176.08426	9.6
177.08911	0.6
179.05640	2.0
191.05637	2.2
191.10796	3.6
203.05676	0.9
221.06723	2.4
247.11888	2.9
265.14453	9.6
289.12906	3.2
330.09000	0.6
346.25262	0.6
384.48273	0.5
513.27686	0.8
544.11584	0.6
555.28113	8.0
556.28833	1.2
644.18640	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78484	1.1
58.30749	1.2
61.98811	3.7
64.40399	1.1
66.53801	1.0
71.05007	1.4
78.95904	44.6
96.96959	4.0
121.10237	1.1
122.97517	1.5
150.97986	1.4
152.99574	52.0
153.99886	2.1
165.21033	1.3
171.00572	6.8
171.10197	3.3
183.13904	2.1
195.13936	6.1
199.56041	1.2
223.13332	4.0
227.03255	4.2
235.16971	6.6
245.04155	1.4
253.21724	31.3
254.22026	2.4
255.23343	2.1
275.20181	10.6
276.20340	1.7
291.19632	1.5
293.21210	36.3
294.21564	4.7
331.08835	1.2
429.20352	4.1
503.23816	3.0
521.25183	100.0
522.25653	16.6
757.46423	49.9
758.46619	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	759.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	0.7
59.01379	15.4
71.01381	9.4
71.53574	0.9
72.99297	2.5
83.01389	1.1
85.02954	1.9
87.00883	1.2
89.02443	8.5
95.01385	0.9
96.95988	0.7
99.04518	0.6
101.02444	7.6
113.02440	3.2
119.03526	4.0
141.12860	13.9
169.12321	3.3
173.04585	0.6
183.10147	0.7
183.13867	1.4
187.13390	38.1
188.13737	2.3
191.05608	2.1
259.03214	0.7
267.71417	0.5
349.18628	100.0
350.18994	9.8
365.67798	0.6
692.26111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
63.29881	14.1
65.75943	13.0
68.25997	13.4
70.37173	14.4
71.51820	12.2
78.95894	34.8
131.87987	13.6
152.99557	23.0
185.11757	16.6
203.98357	14.6
236.87964	14.6
277.21594	28.8
301.21661	24.2
333.31262	17.6
342.77463	16.1
425.16550	17.6
732.97736	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	757.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69855	0.7
56.95847	0.8
57.03474	1.0
58.00581	1.7
59.01380	30.5
61.98832	12.7
70.66387	1.8
70.66762	1.7
71.01378	6.4
71.05002	1.1
73.02936	2.0
78.95892	3.6
85.02936	1.6
89.02423	3.7
97.02910	1.2
99.00874	5.7
101.02438	3.9
112.44974	0.9
113.02461	2.7
119.03521	1.4
125.09731	6.1
127.11292	5.8
137.09731	1.3
152.99532	1.4
153.09183	0.9
155.10754	2.6
161.04538	1.4
163.11285	1.8
165.09164	1.6
171.10252	3.4
181.12355	8.0
183.10185	1.0
191.05663	1.3
199.09586	1.5
199.13408	10.5
201.11316	77.1
202.11673	6.2
203.79709	1.0
207.10226	12.6
207.53860	0.9
208.10712	1.3
209.11925	1.0
217.14474	3.8
225.11302	27.1
226.11618	2.0
235.08173	1.7
243.12332	9.5
244.12601	1.3
253.09308	9.5
277.21719	45.8
278.22092	5.8
331.28833	1.0
437.20389	2.4
461.20221	7.2
462.20480	1.2
479.20953	2.4
721.41479	4.3
722.41516	1.4
739.42596	9.3
740.42395	4.4
757.43738	100.0
758.44116	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
55.46131	0.7
57.03448	1.1
58.93508	0.6
59.01377	30.4
61.98825	15.9
69.97110	2.2
69.97520	1.0
71.01385	5.2
71.05024	0.8
73.02938	1.8
76.55970	0.7
78.95887	4.1
83.01369	1.1
83.05019	0.9
83.75698	0.6
85.02950	1.8
87.00864	2.1
89.02446	2.8
89.41885	0.6
97.02963	1.2
97.06611	1.2
99.00872	5.2
99.04527	1.1
101.02431	4.3
113.02437	2.2
119.03542	1.0
123.08208	1.1
125.09709	4.2
127.11285	3.0
143.46825	0.7
145.05022	1.3
152.99548	2.9
155.10767	1.9
161.04556	1.6
163.11259	4.8
165.09262	1.4
171.10249	2.8
181.12340	5.7
183.10260	0.8
191.05585	1.1
197.11784	1.1
199.09676	0.9
199.13419	7.8
201.11310	43.8
202.11624	2.3
207.10262	8.2
217.14368	0.9
225.11307	17.4
226.11542	1.0
226.19507	0.8
235.08292	7.5
243.12318	4.5
253.09271	7.6
277.21698	90.4
278.22018	9.3
381.26352	1.1
430.44070	0.8
443.19043	1.6
461.20309	2.0
479.21780	0.8
513.31195	0.9
568.85742	0.7
709.75293	0.8
721.41675	3.6
722.42346	1.2
739.42645	10.1
740.42810	2.1
757.43732	100.0
758.43982	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	757.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.4
61.98827	16.4
64.46860	1.7
64.92158	1.8
71.01383	61.0
71.53285	2.3
78.95906	11.0
83.01364	2.0
85.02956	2.2
87.00877	2.3
97.02916	1.9
99.00863	2.5
101.02457	3.8
109.06570	2.3
113.02481	1.7
152.99609	4.1
163.11293	3.6
169.12363	4.3
170.12694	2.0
171.10269	42.5
172.10638	2.4
183.57051	1.7
199.09773	8.8
201.11360	10.7
207.10214	8.0
225.11307	6.6
235.08258	5.8
253.09245	10.5
277.21716	100.0
278.22104	12.2
437.16199	2.1
461.20020	2.7
683.74683	2.1
703.78656	1.7
721.42255	2.2
753.61407	1.9
757.42743	19.2
758.43481	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	755.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.1
61.18834	0.8
61.57100	0.9
61.98826	4.9
63.10100	0.9
66.54681	0.8
69.19131	1.2
69.19472	9.8
71.01389	4.7
78.95895	5.1
80.02696	1.0
81.03004	1.0
81.03473	1.1
83.05030	4.6
84.02197	1.6
85.02949	1.2
87.00895	1.6
89.02470	1.9
92.87476	0.9
95.05026	0.9
101.02432	2.6
101.94749	0.8
106.08636	0.9
113.02447	1.2
152.99603	2.6
161.04634	1.0
163.11287	3.7
165.12863	2.5
171.10287	1.6
174.28073	1.0
201.11229	1.3
209.11819	100.0
210.12152	6.9
227.12846	11.1
235.08192	3.1
253.09251	9.0
255.10234	1.2
259.15366	5.5
268.96558	1.0
277.21713	72.2
278.22028	8.7
293.21295	1.1
293.24747	2.0
299.09244	2.3
313.24551	1.0
362.23425	0.9
379.24808	2.0
387.64157	1.2
445.20303	2.8
637.33783	2.2
755.40143	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	757.238
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49010	1.2
56.49730	1.3
58.52523	1.5
59.01379	10.8
61.98819	1.6
71.52554	1.8
73.02948	1.6
74.06549	1.4
79.95735	21.9
80.96504	4.4
89.02473	2.5
93.03414	1.9
96.96004	3.3
99.32573	1.4
136.01659	2.7
145.26106	1.6
149.02432	1.7
150.03183	6.6
164.04779	75.2
165.05484	8.7
179.07133	57.9
180.07469	5.0
191.05606	4.9
193.57394	1.5
195.06621	7.0
259.02792	100.0
260.03101	5.8
271.09689	2.7
464.13388	1.6
475.17120	1.6
487.17609	2.0
505.18732	3.5
517.18658	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	757.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	16.6
61.98824	58.7
71.01371	24.9
71.51674	18.7
75.00869	27.9
78.95913	34.1
88.98808	49.6
89.02440	25.4
95.80981	12.8
101.50943	12.8
112.15040	11.8
128.82370	13.4
169.81540	12.0
181.86984	13.8
199.13359	18.1
206.52263	12.9
225.11313	54.9
236.68243	14.3
257.11740	20.7
277.21707	100.0
435.02609	14.7
489.82645	13.5
639.35059	39.7
657.35864	26.1
721.42261	19.7
757.39197	60.8
758.39355	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	757.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55897	19.0
61.98824	50.3
66.59657	20.4
71.51611	34.3
78.95918	23.8
94.89597	21.0
156.76509	21.3
225.11282	76.4
277.21695	100.0
278.21686	30.5
461.20499	31.8
721.41742	26.6
757.40234	62.5
758.39185	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.4
61.98827	16.4
64.46860	1.7
64.92158	1.8
71.01383	61.0
71.53285	2.3
78.95906	11.0
83.01364	2.0
85.02956	2.2
87.00877	2.3
97.02916	1.9
99.00863	2.5
101.02457	3.8
109.06570	2.3
113.02481	1.7
152.99609	4.1
163.11293	3.6
169.12363	4.3
170.12694	2.0
171.10269	42.5
172.10638	2.4
183.57051	1.7
199.09773	8.8
201.11360	10.7
207.10214	8.0
225.11307	6.6
235.08258	5.8
253.09245	10.5
277.21716	100.0
278.22104	12.2
437.16199	2.1
461.20020	2.7
683.74683	2.1
703.78656	1.7
721.42255	2.2
753.61407	1.9
757.42743	19.2
758.43481	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	757.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00331	1.3
55.77081	1.0
57.11966	1.1
59.01375	9.6
61.98832	24.0
71.01382	100.0
71.09231	2.2
72.01698	1.4
73.02920	1.7
78.95923	7.1
81.03452	1.2
85.02960	3.1
87.00839	2.2
89.02452	2.6
99.00880	1.3
99.04497	2.0
99.85958	1.4
101.02435	4.8
109.06598	4.8
113.02398	1.3
115.20170	1.0
125.09719	1.6
127.11245	1.6
130.71416	1.0
133.03061	1.2
143.03340	1.2
145.05141	1.2
152.99567	4.3
161.04527	1.4
163.11292	2.1
168.54390	1.1
171.10272	69.8
172.10591	5.4
197.11824	1.2
199.09837	8.2
199.13475	2.2
201.11385	10.1
202.11545	1.2
207.10249	10.0
215.12856	5.0
216.13165	3.4
217.13535	1.5
225.11339	8.8
235.08211	4.8
253.09248	9.7
254.09560	1.6
277.21719	91.0
278.22070	18.5
279.22366	2.8
461.20422	2.5
521.25177	1.8
537.09186	1.3
697.93927	1.4
700.12073	1.2
721.41675	2.2
757.43170	15.5
758.43597	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	755.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	32.8
61.14978	17.0
61.98833	100.0
68.62559	20.5
78.95889	47.8
80.96507	43.2
98.19884	61.6
199.13371	45.6
263.25476	20.1
277.21695	96.2
490.01056	21.5
755.37781	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.8
58.00601	0.6
59.01375	8.6
61.04889	0.6
61.98830	8.3
71.01378	5.4
71.52448	0.7
72.99306	0.7
73.02931	1.4
75.00835	0.7
77.08286	0.6
78.95917	1.6
83.15033	0.7
85.02961	1.2
87.00877	27.7
89.02435	3.0
101.02440	3.8
113.02447	2.5
123.04255	0.6
124.50755	0.6
125.09711	1.0
127.11292	1.6
152.99634	1.0
161.04570	1.6
169.12280	1.6
171.10257	14.5
179.05624	0.9
179.10744	1.1
191.05641	1.5
197.11824	13.4
199.09761	3.3
213.11317	2.5
215.12860	100.0
216.13182	5.5
235.08260	1.8
253.09279	12.0
277.21698	55.8
278.22037	5.5
324.02219	0.9
433.20657	1.8
451.21683	7.5
452.21762	0.8
475.34061	1.2
737.40729	4.2
755.42188	26.0
756.42426	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	755.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
59.01381	5.2
61.98829	6.7
69.03430	0.8
69.48310	4.9
71.01389	4.0
73.02946	2.5
74.75299	0.7
78.95892	1.6
85.02953	1.9
87.00870	7.8
89.02462	2.2
99.00814	0.6
101.02448	2.9
113.02444	2.3
114.23119	0.8
119.03486	0.9
125.09745	1.0
127.11320	0.9
128.85947	0.6
129.71150	0.7
145.05101	0.8
154.91156	0.7
155.10712	1.0
161.04562	2.0
167.26498	0.7
169.12392	0.8
171.10255	10.8
179.10747	1.5
191.05669	1.1
197.11821	13.1
199.09760	2.1
213.11356	1.7
215.12865	65.6
216.13168	3.6
235.08224	11.8
253.09247	11.2
254.09735	0.8
270.57300	0.7
277.21704	100.0
278.22034	10.0
279.03473	0.7
331.61639	0.8
379.24457	1.0
433.20633	1.9
451.21899	1.7
451.59256	0.7
513.30664	2.3
638.08295	0.8
711.41382	0.9
737.40979	3.1
755.41919	15.5
756.42108	4.4
767.44958	0.7
779.59192	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23055	1.7
59.01376	11.4
61.98848	8.4
69.89828	8.8
71.01381	2.8
78.95916	9.6
83.01405	1.8
85.02921	1.9
90.90189	1.6
99.04527	2.7
151.11288	2.4
152.99583	6.0
169.12334	58.3
170.12654	3.5
171.10284	16.0
173.81065	1.7
201.09221	2.7
225.11365	1.9
235.08208	1.9
251.23909	3.2
253.09331	6.7
277.21719	100.0
278.22061	10.6
293.24860	9.4
294.25101	2.2
335.25888	12.9
379.24847	46.2
379.29538	3.3
380.25281	3.4
391.24573	2.4
513.30646	4.0
709.41589	12.2
710.42816	2.6
727.42108	8.1
755.42657	9.1
756.42188	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	755.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.1
57.03450	4.0
59.01378	62.2
69.89056	8.1
71.01378	48.3
72.99297	2.6
73.02940	10.5
76.12401	1.6
79.41708	1.6
80.96500	2.4
83.01366	5.2
85.02948	27.1
87.00880	3.1
89.02444	14.0
93.03417	1.8
95.01371	5.4
96.95980	2.5
99.00877	5.5
99.04533	2.0
101.02438	24.9
111.00882	3.0
113.02442	19.9
119.03493	5.3
125.02440	3.8
143.03430	4.4
147.19557	1.6
159.03050	2.9
161.04524	3.5
167.68744	1.9
191.05588	8.2
345.29916	4.0
363.58075	1.9
421.42221	1.9
489.34305	7.4
507.35211	7.4
508.35065	2.8
612.01935	1.7
651.39569	100.0
652.39929	24.5
669.40729	62.2
670.41083	14.4
711.41608	20.3
712.42590	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.1
59.01371	3.8
61.98837	6.7
68.25891	1.2
68.99568	1.9
71.01385	4.0
71.02933	1.1
71.52106	1.2
78.95908	8.6
83.01394	2.6
83.05019	3.7
85.02988	1.5
89.02424	1.8
99.04510	3.2
101.02492	1.4
107.58824	1.2
112.98569	2.9
118.13562	1.5
148.75807	1.3
152.99577	5.4
163.11302	2.2
165.12823	2.9
191.05453	1.4
197.06061	1.7
209.11819	100.0
210.12215	6.2
211.07611	2.0
211.11385	1.4
213.09126	3.1
227.12842	8.5
235.08141	1.8
251.23793	3.3
253.09219	8.8
255.10287	7.5
259.15448	12.9
277.21710	51.4
278.22055	6.5
289.56052	1.2
293.24777	9.1
299.09213	4.6
309.20660	1.3
335.25842	9.5
347.25854	1.6
379.24829	36.1
379.29498	2.3
380.25171	5.5
391.24765	2.4
445.20010	2.5
549.35541	2.7
593.34900	3.9
637.33478	6.9
638.34711	1.9
655.34631	3.5
721.93860	1.5
755.40564	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	755.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.8
59.01374	4.3
61.98835	7.8
68.99567	5.1
70.47695	3.4
70.48061	1.6
71.01380	4.8
78.95904	11.3
80.02667	1.4
81.03463	1.6
83.01386	4.5
83.05016	4.5
85.02961	1.2
87.00838	1.6
89.02383	1.4
99.04496	6.4
112.98566	3.6
113.02445	1.9
121.21101	1.3
130.04234	1.6
133.02812	1.3
133.06596	2.4
147.04530	2.5
148.36441	1.4
152.99570	5.8
157.06580	2.9
159.08182	3.1
161.04637	1.5
161.06001	1.7
163.11263	4.3
165.12869	2.2
169.06653	2.2
171.08118	3.8
171.10208	1.3
181.12370	1.5
183.08197	2.3
185.06068	4.9
185.09712	2.8
187.07642	1.8
195.08142	3.1
197.06044	7.1
198.06841	3.2
201.09206	5.6
209.11804	100.0
210.12103	5.0
211.07652	5.7
211.11118	2.4
212.08392	3.2
213.05536	2.6
213.09276	10.3
226.06348	2.0
227.10760	6.8
227.12874	10.1
237.09074	3.9
239.07068	2.0
240.07800	2.3
243.10172	3.5
251.23805	7.2
253.09268	8.8
255.10188	24.0
256.10568	2.3
257.08411	1.6
259.15543	8.3
273.11319	1.7
275.20334	1.5
277.21707	52.7
278.22034	5.1
293.24808	25.5
294.25302	1.8
297.11206	3.0
299.09277	13.0
311.25876	3.8
335.25961	21.9
336.26266	2.0
347.25888	1.8
360.00836	1.3
379.24878	77.7
380.25229	8.8
391.24921	4.3
445.20093	2.6
531.35217	2.9
549.35736	9.6
550.36267	2.2
565.35034	2.5
575.33423	1.8
587.42981	1.4
593.34808	11.5
594.35846	2.7
637.33868	24.8
638.33783	5.7
655.34357	6.2
656.35333	2.3
737.38910	5.3
755.41364	8.2
756.40833	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86207	1.4
56.57797	1.7
57.03446	4.4
58.57676	1.5
59.01374	12.9
61.98825	17.8
67.01886	5.8
69.03459	2.7
69.41014	3.6
69.41413	9.7
71.01365	2.7
74.33588	1.4
83.01381	3.1
85.02945	2.7
89.71915	1.6
89.72591	1.4
91.05546	2.6
93.03457	2.0
95.67354	1.5
97.02862	3.0
99.04517	100.0
100.04857	3.7
107.05031	2.2
111.00823	1.8
112.31840	1.4
129.07065	2.0
131.05089	2.4
133.06586	4.4
135.04515	5.1
141.07098	2.4
143.05014	9.4
143.83156	1.7
144.05757	4.6
145.06544	1.9
147.04572	2.3
149.06100	2.4
156.05789	4.2
157.06619	7.9
159.04463	4.0
159.08148	27.0
161.06071	2.7
163.07639	2.8
169.06561	4.4
170.07390	4.2
171.04492	2.9
171.08119	19.0
172.05254	3.6
172.08492	1.8
173.06046	4.9
175.04121	1.7
175.07649	6.2
177.05606	4.1
183.08136	9.0
185.06050	7.3
185.09724	3.4
186.06831	5.7
187.03992	4.1
187.07649	4.5
188.04703	2.4
189.09273	2.8
191.05730	3.4
195.08150	9.5
196.63362	1.8
197.06020	3.8
197.11880	2.5
198.06812	5.9
199.07527	2.2
201.05563	3.9
201.09210	31.8
202.09596	2.4
203.07079	5.4
205.08513	1.6
209.11830	5.3
211.07652	4.9
213.09198	31.6
214.09430	4.3
215.07143	12.7
217.05069	2.4
225.11395	1.8
227.07222	3.8
229.08638	5.2
231.10211	32.5
239.07126	23.5
245.08176	65.9
246.08537	6.1
257.08188	44.1
258.08466	5.9
275.09207	40.5
276.09476	4.0
277.21805	3.6
293.21164	3.5
317.21216	3.3
365.92969	1.6
494.14026	1.7
686.20123	1.8
755.42584	11.6
756.42273	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05775	1.1
57.03441	5.3
59.01378	24.9
61.98577	0.9
61.98827	9.8
67.01888	6.0
69.03458	2.1
71.01374	2.3
71.52673	1.2
71.53050	1.4
77.54111	1.1
78.95908	2.5
79.05521	1.2
83.05032	1.4
85.02947	3.5
89.02484	1.1
91.05530	1.4
95.05003	1.3
97.02928	2.9
99.04514	100.0
100.04848	3.0
107.05036	1.6
111.04504	1.1
115.05504	1.7
119.04966	2.7
121.06564	1.7
123.04523	1.7
131.04999	2.2
133.06622	2.0
134.95294	0.9
135.04535	3.3
135.40282	1.1
138.44247	1.1
141.07109	1.6
143.05045	8.9
143.08585	1.8
143.63782	1.1
144.05759	4.7
145.06544	4.2
147.04536	2.5
149.06042	2.8
156.05766	3.5
157.06549	7.8
158.07356	1.1
159.04475	3.9
159.08150	23.3
160.05293	2.0
161.02414	1.3
161.06067	4.7
161.09727	1.6
163.07611	3.7
163.11301	1.3
169.06575	4.3
170.07317	3.7
171.04492	3.3
171.08156	14.4
171.10249	8.9
172.05270	4.1
172.08473	2.4
173.05984	5.1
173.09688	1.8
175.03883	1.3
175.07610	5.9
177.05508	5.5
180.05905	1.1
181.12363	1.2
183.08122	8.8
184.08525	1.3
185.06068	7.7
185.09694	4.1
186.06828	7.1
187.03984	3.2
187.07610	8.9
188.04750	1.3
189.05524	1.4
189.09172	3.3
191.03426	1.4
191.05553	1.5
195.08121	8.4
197.06010	2.7
197.09697	1.6
197.11746	1.7
198.06885	7.8
199.04031	1.2
199.07413	2.6
199.13425	2.7
201.05531	4.3
201.09201	28.9
202.09544	2.2
203.07164	5.9
203.10736	2.8
205.08665	1.7
207.10269	1.3
209.11787	5.0
211.07590	3.2
213.09183	27.5
214.09412	2.0
215.07118	12.1
215.10695	2.7
217.08740	1.6
225.11333	5.6
226.05939	1.1
227.07062	3.7
227.12865	2.0
229.08661	4.5
231.10231	21.7
232.10616	2.0
233.11697	4.7
239.07095	8.6
245.08156	68.1
246.08516	3.8
247.09807	1.6
253.09239	2.1
257.08160	41.9
258.08411	3.7
259.09631	1.3
275.09225	33.1
275.20264	1.5
276.09476	3.1
277.10684	3.1
277.21652	1.5
289.77243	1.2
291.19708	1.3
293.21085	6.4
309.20584	2.1
337.73972	1.3
625.33380	1.5
755.41779	4.8
756.44574	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	755.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	7.2
59.01376	22.6
61.98829	9.9
63.67497	1.0
69.47306	1.7
69.47719	5.4
71.01381	4.8
75.40409	1.0
78.91897	8.6
79.05515	1.4
83.05055	1.3
87.65718	1.0
95.04984	1.2
97.76381	1.2
98.19925	2.0
99.04517	100.0
100.04834	2.2
101.02472	1.2
105.07108	2.9
109.06638	1.4
116.42835	1.2
123.04563	1.1
125.09737	1.0
132.63257	1.0
133.06638	2.4
135.08197	1.5
135.22829	1.1
145.06601	2.9
147.08203	1.8
149.06036	1.6
156.05966	1.1
157.06596	4.5
161.09744	3.0
163.11348	1.6
171.08122	2.0
171.10291	12.1
173.09729	6.6
175.07646	1.8
183.13857	1.4
185.06096	1.1
185.09727	4.4
187.07625	1.5
189.09158	1.2
191.05602	1.4
197.09712	5.2
197.11673	1.8
199.13446	6.2
200.08319	1.5
201.09239	1.7
203.10759	12.3
207.10277	3.0
209.11784	6.5
210.12076	1.8
213.09227	2.0
215.08823	1.5
215.10771	19.5
216.11038	2.1
225.11273	6.6
227.12898	1.8
229.08719	1.3
231.10213	2.4
233.11800	34.1
234.12137	2.5
235.16978	1.5
241.08676	1.3
245.08124	4.0
247.09731	8.3
253.09315	4.8
259.09738	11.4
261.07498	1.3
275.09262	1.8
275.20200	4.5
277.10828	20.6
277.13498	0.7
278.11246	1.8
291.19675	1.4
293.21219	12.4
309.20782	2.3
329.50461	1.1
331.62872	1.2
376.98877	1.1
377.16199	2.0
406.29684	1.2
410.03156	1.2
417.37302	1.2
435.84283	1.1
461.20053	1.3
484.41971	1.1
588.72534	1.1
755.42200	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	755.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92248	1.0
57.03426	1.3
59.01376	1.2
59.79632	0.9
61.98819	6.9
65.01033	0.9
69.03429	1.1
78.95914	1.9
83.01385	2.6
83.05030	1.3
93.03461	0.9
95.05000	1.1
97.02925	1.3
99.04512	22.7
99.53298	1.0
105.07031	1.0
109.02931	1.5
109.06564	1.5
111.04486	4.1
119.05013	1.3
120.79951	0.9
121.06532	1.9
123.04539	1.7
131.04985	1.3
133.06581	1.9
135.04492	1.1
137.02379	1.4
145.06647	1.3
147.04576	1.4
147.08092	1.9
149.05989	1.1
152.99571	1.1
153.15753	0.8
157.06630	1.4
157.10165	1.0
159.08154	2.0
161.06070	1.6
169.06415	1.3
169.12314	2.9
171.08154	2.2
171.10213	1.6
173.06064	1.9
175.03961	1.7
175.07552	0.9
181.06557	1.2
183.08160	2.8
185.06085	1.8
185.09496	1.1
197.09798	1.8
199.07596	1.3
199.11301	2.8
201.09180	3.2
203.07495	0.9
209.09628	1.1
210.06857	1.1
211.11272	3.1
213.09195	2.2
225.09195	3.7
227.07109	1.2
235.11337	1.7
237.09215	3.4
239.07062	2.1
243.10287	5.6
245.08231	1.4
251.23772	10.8
253.08640	1.0
253.12335	1.1
255.10283	4.7
257.08176	1.5
265.21600	1.2
277.21609	2.6
281.08160	2.1
287.09286	4.5
293.24826	24.2
294.25076	2.5
295.22711	1.6
299.09241	1.6
311.25940	5.7
317.10223	1.6
335.25931	16.0
336.26306	1.5
353.26102	1.2
379.24875	17.8
380.25043	1.2
397.88422	1.0
403.28210	1.5
435.27594	1.0
575.33167	1.1
581.34869	1.1
593.34949	3.0
594.34662	1.2
637.33698	1.3
655.34784	14.1
656.34924	4.1
737.38806	2.9
755.40112	100.0
756.40405	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.5298
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	5.2
65.34286	0.9
66.31203	0.9
71.14089	0.9
71.51863	1.3
78.95913	4.0
80.96521	3.5
82.55509	1.0
82.96118	1.0
94.98095	1.2
99.04525	1.0
109.49957	0.9
137.96342	1.0
152.99620	2.6
171.10181	1.3
255.23375	2.2
277.21851	1.2
299.37720	1.0
399.25378	100.0
400.25720	14.1
753.40619	5.2
754.41498	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	754.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60004	0.2
59.01375	0.6
59.81599	0.2
60.48848	0.1
61.98828	100.0
66.23216	0.1
66.65372	0.2
68.50658	0.1
71.01404	0.2
78.95905	0.3
85.02970	0.2
93.03421	0.2
96.96013	0.4
98.19771	0.3
99.04518	0.2
102.21927	0.2
106.28454	0.1
116.92949	0.1
134.00554	0.2
158.31189	0.1
173.04544	0.2
191.05598	1.0
201.05692	0.1
206.54976	0.1
209.11890	0.5
209.41982	0.1
228.96478	0.2
285.90891	0.2
431.72308	0.1
441.28864	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
59.70181	0.2
61.98828	100.0
71.01376	0.3
71.53777	0.3
79.34394	0.2
80.96490	0.3
93.03432	0.2
96.63821	0.2
96.96024	0.4
99.04528	0.3
103.36456	0.2
118.42484	0.2
135.04469	0.2
173.04616	0.3
181.15181	0.2
183.20787	0.2
191.05638	1.1
209.11781	1.5
224.57437	0.2
227.12888	0.2
264.59317	0.2
289.17972	0.3
309.20773	0.3
330.49445	0.2
700.14124	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73128	1.8
55.01870	6.1
57.03438	2.5
59.01379	88.0
59.45894	1.7
61.98823	8.0
69.03446	1.6
70.77977	2.1
70.78290	2.5
71.01385	46.2
72.99297	2.4
73.02949	14.0
79.95737	2.1
80.96516	5.1
83.01396	9.0
85.02950	27.7
87.00866	5.4
87.47441	2.0
89.02428	10.6
93.03451	1.7
95.01373	5.3
96.96005	4.5
97.02945	5.1
99.00872	6.3
101.02434	32.2
110.37199	1.4
111.00867	2.6
113.02456	18.8
119.03482	3.5
124.01653	3.0
125.02445	6.0
143.03488	4.6
159.02919	3.6
161.04564	4.7
186.60089	1.8
191.05563	8.5
280.42068	2.1
343.28531	8.0
380.10202	1.7
391.84406	1.6
438.08685	2.2
456.80444	1.7
487.32687	8.2
505.33817	10.9
506.33942	2.1
507.35657	1.9
530.11676	1.8
549.77991	1.9
633.38000	4.5
649.37994	100.0
650.38416	23.6
651.39514	6.5
667.39075	71.4
668.39716	12.2
693.40485	3.3
709.40137	19.7
710.40424	4.6
754.30292	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	753.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.3
57.03444	6.3
58.00592	1.8
59.01381	78.2
61.98817	1.7
71.01382	52.9
72.99286	2.4
73.02946	13.6
78.19783	1.5
80.96500	3.1
83.01397	8.7
85.02950	28.2
87.00868	5.3
89.02435	15.4
95.01383	4.1
96.96024	1.5
97.02941	2.8
99.00864	6.5
101.01798	2.3
101.02444	34.3
111.00883	3.5
112.01624	2.6
113.02444	23.4
119.03490	3.9
124.01633	1.6
125.02429	5.9
130.79659	1.4
143.03453	2.4
145.01405	2.5
159.02922	2.2
161.04593	6.3
191.05605	4.9
291.08130	1.4
330.15915	1.4
343.28552	5.2
391.55875	1.6
487.32596	10.1
505.33884	10.3
535.31134	1.9
577.32043	2.6
594.03394	1.7
633.38153	5.5
649.38055	100.0
650.38171	19.0
651.39771	8.1
667.39111	67.8
667.48468	1.1
668.39240	10.8
669.40875	3.0
709.40186	22.6
710.39923	4.3
753.30688	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	753.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	7.5
59.01374	6.4
61.98832	11.1
68.68494	0.8
69.03446	1.3
71.01373	4.0
71.05009	1.4
75.00861	3.6
75.14964	0.8
75.79371	0.8
79.05533	1.3
81.03471	1.8
83.05013	4.0
85.02970	1.2
87.00840	1.3
89.02435	2.2
90.61392	1.3
97.02924	2.5
97.06591	2.4
98.19861	1.9
99.00883	1.5
99.04519	100.0
100.04228	1.0
100.04849	3.4
101.02436	3.4
105.07117	1.9
107.05025	1.3
109.06560	1.6
113.02419	1.5
117.07126	1.5
120.03011	0.9
123.04572	1.1
125.02446	1.1
125.09667	2.7
133.06566	1.5
135.04501	1.6
135.08159	1.9
141.81845	0.9
145.06549	3.3
147.08237	1.0
149.06119	1.1
157.06529	3.3
159.08095	3.1
161.05962	1.2
161.09694	2.8
163.11301	5.0
165.12804	2.0
171.08141	2.8
171.10239	2.8
173.06053	1.6
173.09662	5.9
175.07593	1.0
181.12309	1.8
183.13771	1.1
185.06068	1.3
185.09711	4.9
185.11797	2.4
191.05553	1.7
191.10698	1.7
191.14424	2.1
197.09673	6.5
197.11786	11.2
199.13402	1.0
200.08333	1.6
201.05486	1.0
201.09178	1.1
203.07137	1.2
203.10793	9.9
204.11069	1.1
207.10257	5.7
209.11819	64.8
210.12057	3.1
211.13315	1.1
213.09125	2.1
215.10741	22.8
216.11166	1.5
225.11282	4.1
227.12836	6.2
231.10161	2.5
233.11809	36.3
234.12051	3.1
235.08202	2.0
241.08655	1.3
245.08092	1.9
245.19061	3.1
247.09682	3.9
253.09285	5.4
257.08008	1.6
259.09760	9.3
263.20126	2.2
275.09152	4.1
275.20184	1.1
277.10791	18.6
278.10938	2.0
278.79376	1.0
289.18066	16.0
290.18317	1.9
291.19733	4.6
293.21292	2.9
307.19159	14.0
309.20898	1.4
377.16071	2.0
401.23492	1.0
441.37537	0.9
460.39014	1.1
735.39288	1.4
753.40631	22.3
753.52081	0.8
754.40808	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	753.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	6.9
60.10677	0.8
71.01368	3.4
71.06548	2.2
79.95737	15.4
85.02934	1.5
89.02451	2.8
94.83023	0.9
96.96014	4.4
101.02432	1.0
101.47214	0.9
109.02971	1.0
113.02492	0.9
119.03426	1.0
119.04994	1.8
137.02438	19.2
152.04784	28.9
153.05034	1.5
163.04010	2.0
163.81715	0.9
166.02705	1.0
167.07123	40.0
167.63043	0.9
168.07448	1.9
184.03722	3.6
191.05594	2.5
197.04395	0.9
208.28288	1.0
212.06886	3.3
227.09238	27.4
228.09576	1.6
240.81636	0.8
283.15366	2.2
298.84619	0.9
307.04916	100.0
307.14017	4.9
308.05286	6.1
323.13342	3.6
517.69672	1.0
608.51013	1.1
667.90857	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15605	0.3
55.95984	0.4
57.56716	0.4
59.01374	6.7
60.01717	0.4
60.99306	1.5
61.01800	0.4
67.01897	3.5
67.34818	0.3
69.03456	1.3
70.75043	0.5
70.75355	0.6
71.01391	2.0
73.02969	0.7
74.96707	0.3
81.03452	1.1
83.05017	0.5
85.02945	4.9
87.00868	6.2
89.03957	0.4
92.74171	0.3
93.03453	25.6
94.03793	1.2
94.48750	0.3
95.01348	0.3
99.00867	0.4
99.04482	0.6
99.53274	0.3
101.02435	1.0
109.02967	0.6
111.04509	3.7
113.02434	0.5
117.03448	1.0
121.07011	0.4
122.03738	0.6
127.03986	1.3
129.01947	0.7
134.03728	9.3
135.03972	0.4
137.02354	0.3
149.06108	0.6
155.03493	1.2
160.01692	0.5
161.07190	0.7
171.03004	0.5
173.04539	9.6
174.04852	0.4
175.03970	0.7
175.08725	0.9
189.06693	1.7
191.05602	100.0
192.05954	4.3
193.05038	5.0
194.05386	0.6
203.08286	0.5
235.11885	0.7
267.15979	0.9
268.16190	0.4
321.15610	1.2
322.16028	0.4
323.12555	2.7
367.10309	38.2
368.10623	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	752.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
61.98832	5.2
70.87818	0.5
71.01370	0.5
71.53332	0.8
72.39248	0.5
74.50385	0.5
78.95904	5.9
93.73754	0.5
95.84845	0.4
97.24023	0.4
99.04522	1.2
103.40761	0.5
107.02735	0.4
122.40974	0.4
130.33585	0.5
152.99599	1.0
159.83885	0.5
160.49411	0.5
163.11272	0.5
165.09238	2.2
166.02667	0.5
168.04286	0.8
177.25282	0.4
191.05649	0.8
212.62981	0.5
224.06944	2.3
233.15453	100.0
234.15790	7.8
242.07994	0.5
264.84113	0.5
279.23276	27.7
280.23569	2.7
293.21097	0.5
297.15341	2.1
298.15683	1.0
417.26239	0.5
504.30975	31.3
505.31232	4.8
717.99481	0.6
752.48889	0.8
753.40399	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.3
59.01388	1.4
61.98831	4.3
71.01372	1.2
71.52611	0.3
72.99310	3.6
73.37417	0.3
75.00871	100.0
76.01213	1.1
85.02955	0.6
87.00855	0.4
89.02457	1.2
97.02968	0.3
99.04542	0.8
101.02438	1.0
113.02457	0.7
125.02454	0.6
139.58626	0.3
175.20927	0.3
179.05670	0.4
197.11838	0.4
207.10347	0.4
223.10043	0.2
223.13411	0.5
235.08192	0.9
251.16847	0.2
277.21707	3.6
278.21945	0.4
291.19681	0.5
305.08701	0.3
315.19128	0.3
397.13489	6.8
398.13864	0.6
415.14563	2.1
416.14743	0.3
507.50266	0.3
751.39465	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10736	0.4
55.01888	0.5
58.14278	0.5
59.01379	100.0
60.01720	1.1
69.44568	3.1
71.01383	10.4
73.02946	3.5
73.84863	0.5
79.88699	0.5
83.01389	2.2
85.02962	5.2
87.00896	1.1
89.02449	1.3
93.82735	0.6
95.01401	0.6
99.00888	1.2
101.02439	10.6
106.97680	0.4
113.02443	4.6
119.03541	0.7
122.03748	6.2
138.67323	0.5
143.03413	0.5
149.06094	0.7
159.03027	1.0
159.10297	1.5
161.04518	3.8
165.81772	0.5
179.03461	0.5
191.05640	2.4
191.10788	0.7
235.11867	20.4
236.12260	1.3
265.14499	0.4
266.15311	1.1
267.16034	13.2
268.16324	1.0
277.12912	8.9
278.13345	0.5
321.15555	8.8
322.16180	0.6
353.18146	0.5
408.03952	0.5
425.89563	0.5
429.21490	1.8
493.08783	0.5
654.06873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.8
59.01373	4.8
61.98829	19.0
65.03953	2.5
67.01891	4.7
69.03451	7.0
71.01360	2.3
79.05534	6.2
81.03437	3.2
81.77444	1.6
85.02943	2.0
87.61518	1.6
91.05537	4.2
93.03472	3.7
94.32027	2.1
97.02948	6.8
99.04521	100.0
100.04842	3.8
102.96720	1.8
105.07104	3.1
107.05026	3.1
109.06602	2.5
115.05524	2.6
117.07061	2.3
119.05014	3.7
123.04479	2.1
129.07106	2.9
130.04230	2.4
131.04976	2.7
131.08630	1.8
133.02911	2.3
133.06604	7.8
135.04506	7.9
139.04033	2.8
141.07153	2.5
143.05017	16.3
143.08626	3.7
144.05753	6.6
145.06517	4.8
147.04485	5.4
148.05235	2.1
149.06113	4.9
153.05597	2.1
153.07045	1.9
155.05019	2.2
155.08661	1.8
156.05786	7.9
157.06598	16.9
158.07332	3.5
159.04497	5.1
159.08162	42.6
161.02432	2.2
161.06064	8.2
163.03983	2.1
163.07628	5.7
167.08640	2.3
169.06557	8.2
170.07320	6.0
170.44263	1.8
171.04495	9.5
171.08162	28.1
172.05299	6.2
172.08475	2.3
173.06036	6.3
173.09760	3.4
175.04056	2.5
175.07629	5.9
177.05568	8.2
183.08153	18.3
185.06090	10.8
185.09641	5.1
186.06866	11.8
187.07607	11.7
188.04683	2.4
189.05484	2.0
189.09201	6.1
191.05621	3.6
195.08118	6.9
197.06041	5.3
198.06860	7.4
199.07460	4.6
201.05505	5.7
201.09207	87.6
201.11098	4.3
202.06332	2.2
202.09535	5.2
203.07082	10.3
211.07658	4.9
213.07140	4.0
213.09195	65.1
214.06393	2.7
214.09526	4.4
215.07076	13.7
216.07866	3.7
225.11400	2.9
227.07115	6.0
229.08713	7.3
231.06651	2.5
231.10262	61.1
232.10527	3.8
239.06970	8.7
245.08180	62.2
246.08496	5.0
257.08179	40.6
258.08527	4.3
275.09247	46.7
276.09595	4.0
293.10306	3.9
713.25629	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	751.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.5
59.01376	14.5
61.15295	0.7
66.27576	0.6
68.99808	1.6
69.03452	0.9
69.33553	6.2
71.01382	26.2
72.01691	0.7
72.99303	5.6
73.02949	1.5
75.00874	15.6
80.02678	4.8
81.03458	0.8
83.01363	0.9
83.05012	0.7
85.02950	24.9
87.00880	9.4
89.02444	6.4
91.04008	0.9
93.03438	1.1
95.01373	6.3
96.96019	0.8
98.19907	1.5
99.00880	10.3
99.04514	4.5
101.02449	1.4
103.00356	2.8
111.00877	0.9
113.02449	31.6
114.02770	1.1
115.00391	3.3
117.01920	2.7
121.06624	1.1
129.01913	2.1
131.03375	0.8
150.03223	1.0
157.01382	1.1
164.04723	1.6
164.73778	0.7
175.02399	1.5
179.07127	1.1
189.12842	17.4
190.13231	1.9
191.05547	3.3
191.90662	0.6
205.07112	2.1
207.04887	0.7
207.13919	8.0
208.13976	1.1
231.05092	1.1
233.11749	2.6
249.06184	8.0
251.12741	3.1
259.02734	1.6
267.07205	24.5
268.07562	1.4
439.19772	5.9
440.20825	1.2
483.18851	1.1
488.35706	0.8
564.99481	0.8
575.23480	4.8
576.23901	0.8
609.07153	0.8
689.26556	0.9
733.25549	2.5
751.26617	100.0
752.26947	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89727	2.0
58.28705	2.6
59.01389	3.7
61.98832	31.5
67.01893	4.0
69.49456	15.7
71.01384	8.1
74.01436	2.2
78.95889	2.3
83.52919	1.9
89.30116	2.0
96.76487	2.2
96.96003	3.1
97.40215	2.2
98.20789	2.0
99.04521	88.9
100.71331	1.8
115.00313	3.2
133.06606	2.5
142.24751	2.3
142.63220	2.0
143.05019	4.3
149.06056	4.4
159.08144	6.7
163.07751	2.6
169.06491	2.4
171.08160	11.4
173.06081	4.0
177.05643	4.4
183.08086	4.8
185.06033	2.9
187.07709	3.9
189.09135	2.1
198.06874	3.2
201.09230	21.7
203.07066	2.9
211.13643	2.4
213.09148	22.1
215.07123	7.9
227.07112	6.6
229.08734	4.6
231.10237	45.0
232.10555	3.1
239.07069	18.0
245.08174	70.3
246.08449	5.7
251.38084	2.5
257.08218	52.7
257.10950	3.5
258.08554	4.7
275.09259	100.0
276.09601	7.7
294.78879	2.2
319.22696	10.8
321.92368	2.2
375.14203	3.1
749.35480	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	749.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	9.0
61.98827	33.2
71.01408	6.7
79.06327	4.9
84.37621	5.6
89.88154	5.2
96.96014	9.1
99.04524	93.2
108.21252	5.2
111.95833	5.1
134.89505	11.5
139.12044	4.4
143.05038	7.3
144.05779	5.3
159.08202	6.3
161.06134	5.4
166.59442	4.9
171.08167	11.0
191.05547	8.4
201.09160	25.4
213.09221	26.4
215.07057	6.9
227.07082	6.4
231.10265	38.8
239.06924	11.0
245.08182	75.5
257.08221	57.3
264.13495	6.3
275.09253	100.0
276.09460	10.1
599.29736	5.1
678.02393	6.0
749.35858	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	747.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.7
59.01372	0.5
61.98829	2.3
64.02702	0.3
66.64690	0.4
70.21098	0.8
70.21489	0.8
85.02990	0.5
93.92183	0.4
96.96014	0.5
97.02959	0.4
101.06080	25.1
102.06436	0.5
106.42992	0.3
107.11665	0.4
121.06599	0.4
133.06552	0.7
135.04546	0.3
137.78273	0.3
145.06599	0.9
147.08043	0.4
157.06557	0.6
159.08090	0.4
161.09737	1.2
163.07596	0.7
175.07581	0.4
179.55750	0.4
185.09682	1.3
191.05534	0.6
197.09737	1.9
203.10785	6.7
215.10713	1.1
229.08699	0.4
240.06982	0.3
241.08560	0.4
247.09723	13.1
248.10092	0.8
259.09732	3.6
277.10803	4.9
278.11398	0.5
279.12393	2.6
291.12384	1.2
292.12610	0.4
309.13406	1.2
335.22253	100.0
336.22565	10.8
349.16690	2.4
395.86130	0.3
411.20105	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.0
58.00585	3.0
59.01380	35.2
69.43089	7.5
71.01382	11.1
73.02941	14.1
78.40881	0.9
83.01382	12.9
85.02950	3.6
87.04520	4.2
89.02429	1.9
91.50137	1.1
93.03456	1.9
96.96025	1.3
97.02956	1.5
97.91663	0.9
98.19883	1.8
99.00887	1.4
101.02440	8.2
113.02429	2.1
121.02947	6.3
122.03736	3.1
123.00894	1.4
123.04515	2.8
124.01614	1.7
124.14193	1.1
125.02473	1.7
127.07716	1.6
134.03725	1.5
136.05276	2.4
137.02425	2.1
137.06036	2.0
138.67062	0.9
139.07635	1.3
139.11270	18.0
140.11592	1.0
143.04958	1.0
146.03737	1.0
147.04500	2.8
149.02415	3.9
150.03236	10.9
151.04034	1.0
151.11404	1.2
158.03738	4.7
159.04515	13.9
160.03951	2.3
160.05295	47.4
160.16048	1.0
161.06073	14.2
162.03235	1.7
163.04015	9.9
163.11240	3.6
164.04762	5.9
165.05545	1.2
165.09178	2.1
167.10670	1.6
169.12346	4.8
173.06035	5.6
175.07639	35.2
176.04706	1.2
176.07925	2.3
177.05559	9.2
178.06326	13.1
178.56433	1.0
179.10706	5.4
181.12329	10.8
183.10257	25.0
184.10542	1.6
191.05505	2.2
192.07832	1.7
193.08693	5.3
197.11815	2.2
199.13367	2.3
201.64317	1.1
225.11313	26.0
226.11618	1.2
231.10367	1.4
243.12364	21.4
244.12631	1.9
249.11284	3.7
263.12802	1.7
267.12469	4.6
281.12128	3.6
285.13449	2.2
291.12387	4.2
309.13403	3.8
314.11502	2.8
315.12299	8.3
316.12503	1.4
327.14569	6.7
329.13928	100.0
330.14233	9.5
345.13348	4.2
352.51724	1.1
359.14981	3.9
369.15549	1.5
387.16641	11.8
388.17087	1.6
407.35413	0.9
455.22827	15.2
455.95645	1.2
456.23135	3.0
729.31262	1.9
747.32318	87.7
748.32617	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	747.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.5
57.03434	3.6
59.01377	34.2
69.36965	2.7
69.37377	7.6
71.01375	9.9
73.02946	15.3
83.01390	15.5
84.99511	1.3
85.02938	3.1
87.04508	2.1
89.02431	1.8
92.59468	1.2
93.03442	1.5
97.02956	2.6
101.02437	10.1
111.04494	1.3
113.02437	3.7
121.02935	5.2
122.03721	1.8
123.00887	1.7
123.04527	2.5
123.32423	1.2
125.06033	1.2
127.07691	1.5
137.06041	1.7
139.11284	18.4
143.05011	2.2
145.02885	1.1
147.04492	3.4
149.02457	3.5
150.03233	7.9
151.11337	2.1
158.03682	3.2
159.04504	16.1
160.05298	43.5
161.06073	14.1
161.09686	1.8
162.03197	2.5
163.03981	9.0
163.11238	2.2
164.04811	8.4
169.12323	5.2
171.95442	1.1
173.06061	5.1
175.07628	37.0
176.07990	2.0
177.05544	12.2
177.12958	1.1
178.06380	12.6
179.06801	1.0
179.10757	4.1
181.12325	7.2
183.10252	22.4
191.05591	1.6
192.07957	2.5
193.08685	4.2
197.11818	4.0
199.13400	3.1
225.11298	25.7
226.11583	1.3
239.12932	2.0
243.12347	17.7
244.12639	2.2
249.11215	2.8
263.12885	1.4
267.12372	3.7
285.13666	1.7
291.12399	4.4
309.13336	4.5
314.11588	1.9
315.12439	6.6
327.14401	6.8
329.13922	100.0
330.14322	11.6
345.13467	5.9
359.14932	5.5
379.59268	1.3
387.16599	14.6
388.16800	2.1
404.19299	1.2
455.22824	18.9
456.23331	2.3
640.18158	1.2
729.31555	3.1
747.32343	88.4
748.32690	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89011	0.8
53.96528	0.8
59.01371	1.1
61.98830	100.0
69.23476	8.9
71.04519	0.7
75.42113	0.9
78.95901	4.2
81.70913	0.8
83.06705	0.8
94.03703	0.9
96.96027	1.0
98.20654	2.1
99.04572	1.4
125.09727	7.5
152.99582	1.9
171.10246	3.2
181.72888	0.8
183.55978	0.9
187.09706	2.8
255.23228	1.6
265.14731	1.0
277.21631	4.4
281.24905	1.7
630.65381	0.8
657.73584	0.9
674.55927	1.0
683.40002	16.8
684.40662	5.1
740.10193	0.9
747.37506	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	746.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.3
61.98830	100.0
66.17139	0.3
66.52116	0.2
78.04713	0.2
78.95926	0.7
80.96535	0.4
86.07795	0.2
91.50341	0.2
96.96017	0.6
98.19868	0.6
114.25652	0.2
117.30514	0.2
125.82072	0.3
149.06120	0.3
156.88591	0.2
169.34590	0.2
171.10287	0.3
191.05716	0.7
241.15378	0.2
248.14246	0.6
255.23395	0.7
279.23380	0.3
393.96347	0.2
476.32440	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95539	2.5
54.01989	2.2
59.01379	100.0
61.98831	18.1
71.51803	3.2
78.95903	8.0
78.98598	3.1
79.95724	4.1
80.96507	16.7
94.98106	6.3
96.96017	2.6
152.99567	4.1
164.98653	4.5
171.10344	4.2
177.65414	2.7
225.00775	5.5
255.23253	2.7
265.14670	3.7
277.21664	5.0
317.44647	2.5
383.39911	2.5
473.18094	3.1
496.13858	3.3
512.13507	4.6
526.14899	9.8
527.15143	3.5
601.19501	8.1
602.19531	3.7
613.19397	3.5
614.20258	51.8
615.20166	18.5
618.16406	2.9
646.18939	6.9
687.22937	8.5
688.22919	4.2
747.25043	56.1
747.36816	25.5
748.25183	20.4
748.37543	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	746.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39217	0.2
54.62089	0.2
59.01384	0.7
60.37148	0.2
61.98828	100.0
69.39747	0.5
69.40147	1.6
71.01374	0.5
85.02953	0.4
98.19924	0.4
101.02457	0.2
101.69592	0.2
110.48325	0.2
122.18864	0.2
125.41899	0.2
127.75951	0.2
158.67139	0.2
191.05746	0.4
239.71017	0.2
262.87872	0.2
319.14032	0.7
336.59286	0.3
432.89172	0.3
461.06619	0.2
641.34766	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.6
61.98829	100.0
64.00569	0.8
70.92631	1.7
70.92977	1.7
71.01384	1.2
78.95912	2.6
79.95760	1.7
80.96502	6.7
87.00921	1.1
97.06590	1.2
98.21767	0.9
98.84389	0.8
108.47266	0.8
125.09711	8.1
150.53186	0.8
152.99635	1.8
164.98639	1.2
171.10251	2.5
187.09758	7.8
200.58820	0.9
225.00722	2.3
255.23277	2.1
277.21716	3.6
281.78665	0.9
423.18597	2.8
598.67114	1.1
614.20300	2.3
638.06122	1.0
683.40131	17.8
684.40607	4.0
747.24744	3.9
747.36536	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	745.5024
Annotation	PG(16:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
61.98826	3.7
66.84421	1.7
71.51286	1.9
71.51666	1.6
78.95906	32.4
80.96487	1.8
96.96968	3.3
105.44244	1.6
127.28000	1.6
152.99585	34.6
154.99957	2.1
164.49504	1.6
171.00577	4.9
174.61784	1.6
227.03177	3.9
253.21696	7.1
255.23294	100.0
256.23648	18.4
257.23917	2.9
277.21707	6.1
278.21967	5.5
279.23297	75.5
280.23694	9.9
281.24875	18.9
302.21182	1.6
391.22592	2.4
415.22113	2.3
478.62338	1.7
489.26141	2.1
498.20459	1.7
507.26746	2.3
509.28687	20.7
510.29276	1.9
745.50006	73.3
746.50635	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	745.5027
Annotation	PG(16:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
61.98827	13.5
62.35006	6.1
71.50429	7.5
78.95907	50.1
125.27242	5.6
140.58264	5.6
152.99586	44.2
165.20821	6.7
253.21652	10.1
255.23314	100.0
256.23648	18.7
279.23254	73.6
280.23584	7.8
281.24854	44.2
289.14185	5.6
509.28864	38.4
510.29178	8.5
626.83374	6.9
745.50177	65.1
746.50189	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	745.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59150	1.2
55.01858	1.1
56.88429	1.1
59.01377	25.2
64.81526	1.1
71.01373	12.5
71.52132	1.6
73.02947	6.0
79.85863	1.1
79.95737	25.1
83.01366	2.1
85.02938	4.9
86.66280	1.2
89.02428	4.0
93.03434	1.5
96.95979	2.9
97.49332	1.0
99.00835	1.1
101.02446	12.4
113.02452	6.1
121.02917	1.3
122.03732	1.5
135.04495	4.8
136.01642	3.8
143.03430	1.6
149.02477	6.3
150.03227	12.4
151.03983	3.4
161.04488	3.5
163.04002	34.8
164.04381	2.3
165.05560	12.9
165.69830	1.2
166.02728	2.2
170.68698	1.3
178.06342	41.2
179.06747	2.8
181.05081	2.5
193.08688	35.9
194.08954	3.1
195.06581	9.3
200.15520	1.1
273.04376	79.3
274.04663	5.3
317.21216	6.6
335.22235	25.2
336.22729	2.2
357.13519	1.6
387.14441	7.1
419.24161	1.3
433.12836	1.4
479.26443	17.2
480.26782	3.3
497.27548	96.9
498.27902	14.0
512.36530	1.4
514.84406	1.1
535.19672	9.3
536.19763	2.4
539.28595	100.0
540.28961	17.7
583.21924	3.7
711.80072	1.5
748.21222	1.4
759.77911	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14872	0.3
57.03445	0.7
61.98821	1.0
69.48105	1.1
69.48528	0.7
80.69807	0.2
82.68842	0.3
93.03464	0.3
98.20679	0.3
99.04516	26.8
100.04857	0.7
101.06088	2.2
105.07102	0.5
111.04494	0.3
133.06526	0.3
135.04483	0.4
145.06546	0.8
147.08086	0.3
159.08142	0.4
161.09708	0.9
163.07643	0.6
171.08150	0.6
175.07632	0.5
185.09700	1.3
187.07668	0.5
191.05550	0.4
195.08076	0.4
197.09653	1.7
201.09230	0.5
203.10765	5.6
204.10965	0.4
215.10713	1.1
228.12642	0.3
245.08200	0.5
247.09738	9.5
248.10019	0.9
257.08072	0.4
259.09732	2.9
263.12851	0.3
275.09216	1.6
277.10794	4.4
279.12454	1.4
291.12350	0.9
307.12000	0.4
309.10461	0.3
309.13455	1.7
335.22247	100.0
336.22604	12.8
347.15082	1.6
409.18506	0.7
430.11002	0.3
574.82568	0.3
661.34607	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01371	1.6
61.98824	1.8
69.40930	1.5
69.41351	1.1
71.01366	0.4
73.02932	0.5
75.00859	0.4
78.95895	0.3
85.02953	0.5
87.00842	0.4
93.03448	0.9
96.95996	1.3
97.02949	0.5
99.04519	26.1
100.04845	0.9
109.02995	0.5
113.02385	0.3
121.06584	0.5
123.04498	0.5
127.04037	0.5
133.02954	0.3
136.01697	0.6
145.06572	0.4
149.06073	0.3
151.04025	0.6
157.06619	0.4
161.09712	1.0
171.08162	0.3
173.04622	0.3
185.09734	1.0
187.07616	0.4
189.05727	0.4
191.05635	2.3
197.09729	1.9
199.07256	0.3
201.99588	0.4
203.10744	5.4
204.11153	0.6
205.08647	0.5
215.10728	1.1
247.09743	10.0
248.09988	0.8
259.09705	3.1
267.25967	0.4
277.10779	4.7
278.11063	0.6
279.12427	1.6
291.12299	0.8
309.13416	1.3
319.19260	0.7
335.22260	100.0
336.22610	11.3
338.46527	0.3
347.15024	1.4
349.20181	0.5
367.21204	0.9
409.18350	0.6
425.16299	0.8
430.07922	0.3
523.23376	0.5
588.03101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	6.6
71.51752	2.7
73.24031	1.7
78.95877	4.6
122.27595	1.4
152.99593	3.8
153.33177	1.8
156.13280	1.8
253.21823	2.1
277.21710	1.8
281.24792	5.1
361.23834	100.0
362.24133	12.8
384.86194	1.6
509.28912	4.5
745.46594	97.2
746.46912	32.6
746.59467	2.7
753.47723	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	745.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.2
57.22057	1.0
58.00590	1.5
59.01379	45.0
59.93520	0.8
61.98823	2.8
71.01379	30.0
72.99298	3.2
73.02941	2.1
79.95737	4.6
83.01361	2.2
85.02938	5.2
87.00887	2.1
89.02438	37.6
93.03465	5.1
95.01389	3.6
96.22701	0.9
96.96003	2.7
97.77142	1.0
101.02446	17.8
106.28452	0.9
113.02447	14.1
119.03511	14.2
121.02946	12.1
122.03740	15.8
123.00877	1.2
125.02444	1.1
131.03502	1.6
133.02956	1.2
134.03682	1.1
135.04527	7.5
136.01653	19.8
137.02419	3.0
138.03200	1.6
143.03470	2.1
147.04564	1.6
149.02435	27.7
149.04417	1.9
149.06149	1.8
150.03218	100.0
151.00343	5.0
151.04016	19.4
152.01120	1.3
153.05637	1.3
154.02731	1.4
154.79207	0.9
159.04539	1.2
161.04538	3.3
162.03235	1.2
163.04031	9.4
164.04811	5.7
165.05559	94.0
166.02698	10.1
166.05890	3.6
167.03453	2.1
175.03979	3.4
177.05544	1.8
178.06395	10.4
179.05556	4.2
179.06990	1.4
180.04280	6.1
181.05045	14.8
189.05525	2.5
190.06332	5.7
191.05624	2.8
193.08717	6.8
195.06616	65.9
196.06931	3.7
205.08638	1.5
221.08124	1.5
240.07921	1.4
271.09756	1.5
273.04364	16.3
274.04614	1.3
296.06958	1.0
297.07767	1.3
301.10858	1.5
309.07904	1.5
311.09299	1.6
322.08356	1.2
323.09268	1.9
324.06525	1.8
324.09988	2.1
325.10413	1.5
329.10202	2.8
339.08643	8.3
341.10284	1.2
342.11209	2.0
354.11130	2.2
356.12286	1.7
357.09528	3.1
357.13394	9.3
369.13385	16.1
370.13693	1.3
372.11990	2.6
373.12686	1.7
386.13666	2.6
386.37973	1.2
387.14423	42.5
388.14786	4.7
431.16507	1.2
453.20819	1.4
475.72296	1.3
505.18515	2.3
506.18860	1.2
517.18634	2.4
520.17609	1.1
535.19666	53.4
536.20197	9.4
553.20721	1.6
565.20874	1.4
583.21777	28.2
584.22156	7.1
624.74457	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	10.7
69.42426	7.8
71.01379	7.3
73.02953	0.9
79.95727	12.5
85.02947	2.0
89.02435	9.2
93.03448	5.0
94.50149	1.2
95.01387	1.8
95.04985	1.5
96.96008	1.2
101.02419	3.0
113.02453	4.1
119.03481	4.5
119.85929	1.0
121.02939	14.1
122.03751	19.2
123.04488	1.2
131.03429	1.4
131.98605	1.0
132.02133	1.9
133.02940	2.8
135.04543	10.3
136.00719	2.0
136.01671	20.2
137.02417	3.4
147.04543	1.7
149.01283	2.1
149.02435	29.6
149.06033	1.1
150.03227	100.0
151.00351	5.2
151.04022	25.3
152.04523	1.4
158.03656	1.1
160.05272	1.6
161.06023	1.8
162.03105	1.0
163.02757	1.9
163.04013	23.0
164.04832	7.3
165.05569	98.5
166.02728	15.7
166.05884	4.6
167.03445	1.9
172.05296	1.9
175.03943	4.0
177.05655	1.4
178.04829	2.1
178.06342	25.9
179.06886	2.1
180.04298	7.7
181.05066	17.4
189.05557	3.2
190.06302	9.4
193.08684	21.0
194.08864	1.1
195.06622	63.9
196.06902	3.0
221.08226	1.5
273.04382	41.1
274.04672	3.7
282.05426	1.7
309.07883	1.1
315.08615	1.1
329.10281	2.0
339.08627	1.7
341.13797	1.2
342.11118	1.4
343.11261	1.2
356.12515	3.0
357.09689	3.8
357.13562	9.1
369.13257	4.0
372.12021	4.7
373.12796	2.6
386.13821	2.1
387.14484	52.5
388.14636	6.1
505.18655	3.7
517.18713	1.9
535.19733	70.7
536.20032	12.2
553.20862	2.5
554.20685	1.2
565.20508	1.6
583.21802	35.7
584.22046	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	743.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.3
61.98829	28.5
69.44096	1.6
71.01385	2.1
71.52851	2.3
78.95905	8.5
96.99158	1.6
101.02460	3.4
127.11398	1.7
135.04495	2.7
149.06094	5.9
152.99530	8.7
171.10263	100.0
172.10542	5.3
189.09169	3.5
191.05653	3.8
191.10689	2.4
223.13412	2.3
235.08145	3.9
248.14166	10.6
249.14709	3.3
253.09294	9.1
253.21735	6.0
254.22290	2.2
255.23250	7.1
275.20160	9.2
277.21683	8.0
278.22034	5.0
279.23196	6.5
293.21228	37.7
294.21640	3.1
297.32532	1.7
489.22784	1.8
495.27795	4.4
506.26196	3.7
507.26730	10.1
629.21460	2.4
743.49188	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	745.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	1.6
59.01377	40.8
64.74425	1.1
71.01379	28.4
72.99293	1.7
79.95741	13.6
85.02948	4.9
87.00884	2.1
89.02444	39.1
93.03464	5.0
95.01383	1.7
101.02441	15.8
113.02457	11.9
117.03438	1.6
119.03500	13.4
121.02927	5.7
122.03742	12.1
131.03450	1.3
135.04517	3.4
136.01669	16.6
137.02451	3.5
137.72643	1.1
143.03474	2.8
145.02956	4.0
149.02425	13.9
149.04498	2.0
150.03226	86.4
151.00330	3.5
151.04034	16.5
152.04399	1.0
161.02444	3.6
161.04573	3.0
162.03214	15.8
163.03996	22.6
164.04730	3.1
165.05563	98.2
166.02698	12.5
166.05869	5.3
175.03976	1.6
177.01773	1.0
177.05577	8.8
178.06352	25.2
179.05432	5.9
179.06937	2.6
180.04349	6.2
181.05075	14.6
182.72977	1.0
190.06387	1.9
191.05513	1.6
193.08691	19.9
195.06613	100.0
196.06932	5.4
273.04370	51.4
274.04803	3.6
342.10934	1.3
343.05771	1.1
357.09518	1.5
357.13562	7.6
372.11966	3.0
387.14459	30.5
388.14828	4.6
440.11337	1.3
535.19684	3.8
547.19849	4.1
548.20142	1.7
583.21826	17.3
584.22302	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	741.471
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28099	0.5
59.01389	0.9
61.98843	0.9
73.22758	0.5
78.95905	35.6
96.96967	2.8
97.63307	0.5
98.20763	1.2
112.98583	3.0
124.81389	0.5
139.05026	0.5
150.98134	0.8
152.99590	42.9
154.97392	1.6
171.00682	3.2
189.51672	0.5
202.01801	0.6
210.32231	0.5
227.03241	5.6
241.73611	0.5
245.04262	1.0
248.95982	2.8
253.21713	31.2
254.22029	2.7
255.23225	1.3
275.20129	0.9
277.21716	83.9
278.22055	8.9
412.96884	0.6
413.20810	2.6
426.12241	0.5
434.78601	0.7
463.24899	1.0
483.26929	0.8
487.24847	1.6
489.77307	0.5
505.25717	100.0
506.26074	16.0
546.01880	0.6
605.61414	0.6
741.47101	24.7
742.47339	7.4
759.62500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.5
55.16165	0.3
57.03434	0.9
59.01379	100.0
60.01713	1.3
61.98831	0.5
62.90476	0.3
71.01381	9.8
71.01782	0.5
73.02943	3.8
83.01396	1.2
85.02955	6.0
87.50871	0.3
88.49785	0.3
89.02470	1.3
95.01401	0.7
97.02948	0.4
97.27487	0.3
99.00896	1.9
101.02442	7.4
101.37601	0.3
110.57573	0.3
113.02448	5.0
118.72752	0.4
125.02511	0.4
138.06915	0.7
143.03514	0.7
153.09209	2.4
159.03041	1.0
161.04553	6.8
224.32281	0.3
225.14941	4.2
269.10306	11.8
269.13068	0.7
270.10706	1.1
311.11340	8.3
312.11835	0.6
335.02542	0.4
387.20181	2.2
424.58109	0.4
537.27716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.4
59.01355	1.7
61.98839	5.5
62.70275	0.8
63.85546	0.8
66.60494	1.0
69.59277	2.3
69.59708	3.4
76.36072	0.9
78.95486	1.4
78.95900	19.0
79.12209	0.9
81.03457	9.0
83.01350	2.9
88.95893	0.9
95.05023	1.9
96.96915	1.5
98.20664	1.0
99.04518	30.1
105.07043	2.1
107.04992	1.6
109.06555	4.0
111.04505	1.6
120.92946	0.9
123.04478	1.7
125.02423	4.7
133.06564	2.3
135.04536	1.6
147.04472	1.0
147.08070	1.8
151.07622	1.9
152.99573	22.7
157.06551	1.1
157.10170	1.0
159.08151	1.2
161.05971	1.7
171.00645	1.9
171.08130	2.2
171.58661	1.1
173.05914	1.2
181.32806	1.1
183.08064	3.8
185.05977	1.6
185.09586	1.1
190.32780	0.9
195.08127	1.6
197.09761	1.0
197.49879	0.9
199.11177	3.0
201.09137	1.6
209.09673	1.3
211.07332	0.8
211.11107	1.2
213.09030	1.7
223.07552	1.0
223.11140	1.7
225.09048	4.2
227.03142	3.3
237.09105	1.6
241.12355	1.6
243.10103	2.0
245.04277	0.9
253.12181	1.8
253.21712	17.5
255.23198	1.6
262.93057	1.1
265.12256	1.4
277.21710	50.2
278.21851	3.6
287.09045	2.1
321.81155	1.2
323.25980	2.2
335.90387	0.9
343.72076	1.0
365.26941	6.5
369.91324	1.0
413.20728	2.6
505.25693	65.7
506.26080	6.8
641.36884	9.4
642.37109	1.8
741.41968	100.0
742.42365	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	741.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89740	1.4
57.03461	1.9
59.01389	6.8
61.98536	1.7
61.98828	24.1
69.03423	1.5
71.01359	5.4
71.04987	2.0
71.52200	2.2
74.03297	1.3
77.32901	1.4
78.95905	51.4
79.47746	1.2
85.02927	1.9
87.00839	2.0
89.02448	1.8
96.55204	1.3
96.96936	5.4
97.02934	2.4
97.06564	3.5
99.00888	10.8
99.04511	3.9
101.02432	2.2
113.02454	2.8
123.08124	1.3
125.09689	6.1
140.48830	1.5
152.99583	48.5
159.54138	1.3
163.11302	6.5
171.00650	4.0
171.10233	3.8
181.12395	11.6
197.11855	2.1
199.13396	11.0
207.10277	19.1
213.11424	1.6
225.11298	32.8
227.03194	5.1
239.14600	1.4
243.12360	5.9
253.09195	3.1
253.21736	30.2
254.22025	1.8
255.23320	1.8
275.20169	1.6
277.21707	85.4
278.22015	8.9
279.23276	63.5
280.23611	8.1
283.13370	2.0
293.21301	1.8
365.26886	4.0
413.21332	2.0
447.21420	1.8
505.25708	96.7
506.25934	14.8
510.09814	1.4
574.55267	1.5
705.35992	1.9
723.42969	4.7
741.44617	100.0
742.44818	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	741.471
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23817	0.8
58.96072	0.8
59.01364	1.1
68.27859	0.9
71.32772	0.9
71.33136	1.2
78.95901	36.3
96.96961	3.7
128.79967	0.8
152.99585	48.9
171.00658	4.5
211.41794	0.9
227.03175	4.5
235.33066	0.8
253.21713	31.6
254.22084	3.0
255.23421	1.2
275.20166	1.4
277.21716	88.6
278.22064	7.3
413.20834	3.3
463.24347	1.2
483.26892	2.3
487.24585	1.8
505.25720	100.0
506.26028	16.1
741.47113	25.7
742.47577	7.0
744.18420	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.8
61.98827	5.2
69.37102	3.3
71.01383	0.5
77.03973	2.3
78.95881	0.7
83.05050	0.5
85.02969	1.7
89.02413	0.5
93.03459	0.7
96.95981	1.0
98.20596	0.8
99.04524	0.6
117.72795	0.4
121.02956	100.0
122.03290	3.2
137.02431	0.9
137.36186	0.4
141.01804	0.5
146.53780	0.5
148.42424	0.4
152.99577	0.5
159.08084	0.7
164.11607	0.7
165.01930	73.9
166.02219	2.9
169.12549	0.5
171.10207	0.7
181.06567	3.2
191.03458	1.3
197.06012	0.5
201.09282	0.8
209.11815	13.7
210.12128	6.0
213.09172	0.6
213.11360	0.6
215.07292	0.4
221.77150	0.5
225.05566	1.3
227.12907	1.8
228.13216	0.4
228.53224	0.5
231.10312	0.6
235.08170	0.6
235.17192	0.8
245.08200	1.4
246.08191	0.5
253.09259	1.6
257.08087	0.7
275.09229	1.0
275.20193	1.4
276.20563	1.2
277.21713	1.6
293.21240	6.1
294.21555	5.6
295.21799	0.4
313.07172	2.5
318.03882	0.5
327.21927	0.5
357.06161	11.4
358.06436	0.8
422.83957	0.5
450.52917	0.5
505.25848	1.5
516.61963	0.6
522.81403	0.5
728.03119	0.5
741.14819	5.0
742.15112	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
60.39745	0.2
60.71941	0.2
61.95158	0.2
61.98827	100.0
63.14101	0.2
65.23219	0.2
70.48572	0.2
71.01374	0.3
71.05025	0.3
71.52058	0.2
78.95903	0.9
83.04980	0.2
83.78033	0.2
85.02975	0.2
99.04527	0.3
101.02457	0.2
113.50723	0.2
129.97026	0.2
152.99571	1.7
171.10292	1.1
183.13812	0.2
191.05678	0.2
199.13493	0.3
209.11813	0.4
210.12254	0.3
211.13435	0.3
212.13785	0.3
227.13039	0.2
253.09418	0.2
253.21776	1.1
277.21683	3.7
277.24362	0.3
291.19669	1.0
293.21198	0.3
398.07343	0.2
505.25723	3.6
740.42578	0.3
741.47339	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68026	0.1
59.01365	0.1
61.98828	100.0
62.98523	0.2
73.80206	0.1
110.82616	0.1
111.57718	0.1
165.87949	0.1
191.05667	0.1
228.98904	0.1
315.80548	0.1
335.25092	0.1
339.83810	0.1
427.99527	0.1
430.04025	0.1
442.37671	0.1
484.03836	0.1
679.50635	0.2
680.50214	0.7
740.49225	1.2
740.61359	0.1
741.50073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14605	1.0
59.01373	1.5
61.98829	16.7
62.57441	1.0
71.01384	3.2
71.20710	0.9
71.51643	1.6
78.95900	12.9
92.89542	1.1
96.96941	2.0
99.00852	1.1
99.34913	1.0
120.41308	1.1
125.09692	1.0
140.35257	1.0
152.99605	6.2
171.10246	5.0
197.11752	1.2
199.13411	3.2
201.11278	2.7
207.10249	2.8
225.11292	5.8
229.21507	1.0
243.12315	1.3
253.09297	1.3
255.10098	1.0
255.23195	1.1
275.20425	1.0
277.21771	13.4
278.22162	1.8
279.23279	2.8
293.21228	3.2
301.51407	1.1
387.25415	100.0
388.25702	15.6
429.20480	2.5
435.91864	1.2
445.19949	2.7
454.59924	1.0
461.20242	1.3
475.10526	1.0
562.62915	0.9
562.74384	1.0
711.48572	1.2
739.41791	13.3
740.42194	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	739.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.4
59.01374	6.1
69.97753	4.7
71.01382	7.2
71.05018	3.4
73.02917	1.1
83.90772	0.9
84.91232	0.9
85.02940	1.8
87.00831	1.2
89.02458	2.1
94.20965	0.9
97.02962	4.2
97.06582	2.4
98.12384	1.0
99.00883	11.8
99.29762	1.0
101.02467	3.3
105.24844	1.0
109.06584	1.3
113.02432	2.1
119.49332	0.9
123.08121	1.7
125.09722	6.5
129.45610	1.0
145.05013	1.4
161.04590	1.1
163.11302	7.6
171.10234	1.5
181.12364	12.7
182.12640	1.3
199.13402	14.7
207.10254	23.6
208.10532	1.9
225.11316	43.6
226.11621	3.3
235.08199	2.9
243.12401	6.6
253.09296	2.8
277.21716	71.0
278.22043	7.0
435.66461	1.0
443.19189	1.5
461.20212	3.7
479.21173	1.9
721.41992	4.3
739.42731	100.0
740.43115	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25182	0.6
57.03444	1.1
59.01382	2.1
61.98823	1.0
64.45439	0.6
68.51043	0.6
71.01386	1.3
71.53304	1.2
80.96512	1.2
85.02942	1.8
87.00877	1.0
89.00104	0.6
93.03479	3.0
96.96017	1.7
99.04523	5.8
99.08160	5.0
111.04491	0.8
117.03481	0.8
127.11299	6.0
134.03764	1.9
135.04547	0.9
139.11288	15.6
140.11613	1.2
149.67950	0.7
155.10777	1.3
157.12317	2.4
171.10268	39.0
172.10611	2.5
172.46481	0.6
173.04552	2.7
179.19778	0.7
185.09822	0.8
191.05603	11.6
192.06012	1.0
203.10764	0.8
211.13531	1.1
213.11327	0.8
229.14429	0.7
231.10226	1.3
231.60561	0.7
247.09795	1.4
249.34390	0.7
272.92691	0.6
275.09290	3.1
277.10834	0.7
293.20981	0.9
307.12115	0.9
327.21753	0.8
329.23322	100.0
330.23636	9.0
331.19217	3.1
345.18347	0.7
361.05673	1.1
361.20383	0.6
449.14484	1.7
635.39246	1.2
762.92090	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31255	0.7
57.03429	1.1
59.01375	7.3
61.98809	1.5
69.21707	6.6
71.01382	5.9
71.05012	2.6
72.64650	0.6
72.99303	0.7
73.02930	1.5
80.02663	0.7
85.02935	1.6
87.00863	1.1
89.02440	4.2
97.02943	3.7
97.06586	1.9
99.00875	11.5
101.02477	4.0
101.03020	0.7
106.41422	0.7
109.06606	1.2
110.03700	0.9
113.02470	2.2
119.03515	0.9
125.09733	5.8
127.11271	1.3
128.83330	0.8
142.02760	1.1
142.61331	0.7
161.04539	1.3
163.11273	8.5
171.10197	2.6
181.12335	16.0
182.12543	0.8
193.73132	0.9
197.11861	1.6
199.13403	23.6
200.13705	2.0
207.10240	34.7
208.10469	1.2
225.11308	61.0
226.11627	4.0
235.08035	1.0
243.12357	14.0
253.09241	5.1
277.21704	45.5
278.22110	5.2
335.80557	0.7
443.19016	1.1
461.20300	10.5
462.20773	1.0
479.21198	2.4
540.73907	0.7
721.41278	5.8
739.42682	100.0
740.43024	26.9
740.53485	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60366	0.2
57.03441	0.4
58.69817	0.2
59.01375	2.2
61.98829	100.0
62.98537	1.3
62.99269	0.3
63.99261	1.0
71.01378	1.2
71.05035	0.2
73.95038	0.2
80.02696	0.3
81.03471	0.3
83.05038	1.3
84.02189	0.3
85.02962	0.5
87.00892	0.2
89.02442	0.7
95.05000	0.2
97.02956	0.2
99.04533	1.0
101.02434	1.0
109.06602	0.3
113.02454	0.5
143.03529	0.2
147.29948	0.2
161.04555	0.5
163.11259	1.1
165.12839	0.3
171.10251	1.0
181.12299	0.3
183.13934	0.3
185.11784	0.2
191.05659	0.6
191.10698	0.4
195.13867	1.2
209.11816	34.0
210.12157	1.9
211.13351	1.2
223.13364	0.7
227.12895	4.5
228.13383	0.4
228.99251	0.2
231.21132	0.2
235.08191	0.6
235.17062	1.6
253.09290	4.6
256.13031	0.3
275.20135	5.3
276.20477	0.5
277.21722	0.3
293.21213	18.6
294.21561	1.8
316.10394	0.2
393.83499	0.2
445.20856	0.3
503.33224	0.2
739.40033	0.4
765.22498	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46836	0.5
55.77592	0.4
55.90345	0.5
57.03436	0.5
59.01382	8.1
61.98829	19.4
71.00359	1.4
71.01385	3.4
71.04981	0.5
73.02931	0.7
78.95861	0.5
80.02672	1.2
81.03452	1.4
83.05022	4.6
84.02184	1.2
85.02944	0.7
87.00883	0.8
89.02432	2.9
95.04998	0.6
97.06577	0.7
99.04525	2.7
101.02448	3.0
109.06647	0.6
113.02425	1.7
119.03506	1.1
121.10205	0.6
135.08209	0.7
152.99600	0.6
160.24820	0.5
161.04523	1.4
163.11288	3.5
165.12836	2.0
171.10225	2.4
179.05574	0.8
180.88635	0.6
181.12434	0.6
183.13930	1.2
191.05659	1.2
191.10689	1.0
193.04022	0.6
195.13924	3.3
197.11807	0.6
199.66782	0.5
209.11816	100.0
210.12161	6.6
211.13414	3.0
223.13371	1.7
223.16913	0.7
225.11301	0.7
227.12892	13.4
235.08192	2.6
235.17049	5.9
253.09273	13.8
254.09729	0.8
256.13202	0.8
275.20132	15.8
276.20468	1.4
277.21692	0.9
293.21222	57.0
294.21533	5.8
309.20615	1.0
445.20724	0.8
472.16174	0.5
570.96136	0.6
739.41412	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82015	0.5
58.00596	0.8
59.01377	100.0
60.01706	1.0
69.03457	1.4
71.01382	30.5
71.52101	0.6
71.52493	0.7
72.01714	0.5
72.99313	1.5
73.02943	44.1
74.03284	0.6
75.00881	0.7
75.69434	0.6
83.01384	11.7
85.02956	4.0
89.02450	7.1
92.31633	0.5
95.01387	1.6
96.96043	0.8
98.78109	0.6
101.02442	39.1
102.02788	1.4
113.02455	14.6
119.03511	5.0
125.02446	1.7
131.03510	4.5
143.03506	4.0
149.04564	7.8
155.03543	1.3
161.04552	13.8
172.56999	0.6
203.05630	1.5
221.06693	3.3
285.73026	0.5
325.13272	0.9
605.45410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64847	0.4
56.05816	0.3
57.03451	0.5
59.01376	4.8
60.78987	0.4
60.99288	1.1
64.03196	0.4
67.01896	3.9
69.03450	0.9
69.84406	1.6
71.01379	4.6
73.02943	1.0
81.03433	0.7
83.01406	0.4
83.05007	0.8
85.02952	5.6
87.00868	5.5
89.02421	0.7
93.03459	20.9
94.03785	0.5
96.96002	1.2
98.20644	0.5
98.22109	0.4
99.00872	0.9
99.04520	0.5
101.02454	2.2
105.19955	0.5
105.56696	0.4
108.22469	0.4
109.02979	0.5
111.04504	2.6
113.02457	2.0
119.05013	5.7
122.89135	0.4
127.04022	1.4
129.01965	0.8
135.04613	0.4
137.02441	0.9
143.03642	0.5
145.02975	1.1
152.98660	0.5
155.03497	0.9
161.04507	0.7
161.46671	0.4
163.04004	6.4
166.06396	0.4
173.04546	12.7
191.05614	100.0
192.05943	3.5
335.07794	0.4
337.09283	30.8
338.09619	2.0
351.72708	0.4
375.70258	0.4
401.18158	12.8
402.18497	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	14.2
59.24277	0.3
74.74110	0.3
81.03454	5.2
83.05023	13.0
84.05362	0.3
93.14712	0.3
98.20644	1.0
99.94547	0.3
110.62058	0.4
119.14728	0.3
125.07190	0.7
207.14969	0.8
224.17644	1.7
225.16068	12.3
226.16376	0.7
228.98557	0.3
242.18648	0.5
265.61597	0.3
270.10580	0.3
309.21719	0.5
324.26407	0.5
333.22949	0.5
341.29233	0.6
367.27185	1.4
433.31882	1.2
450.34433	1.1
451.32898	6.8
452.33347	1.1
458.50519	0.3
475.09561	0.3
550.43695	1.0
559.39465	0.3
565.44336	0.4
593.43933	0.4
659.48419	1.5
677.49652	100.0
678.49957	24.8
701.43488	0.5
715.03931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74092	0.1
58.49436	0.1
59.01375	0.2
61.98829	100.0
62.98537	0.2
83.05077	0.1
98.20715	0.1
99.04508	0.1
101.02480	0.1
209.11800	1.1
227.12790	0.1
229.44652	0.1
253.09320	0.1
275.20212	0.2
275.43631	0.1
278.22095	0.2
293.21204	0.7
347.41907	0.1
399.14331	0.2
411.16754	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.3
61.98830	100.0
62.98525	0.2
64.68256	0.1
71.01361	0.1
73.01138	0.1
98.19827	0.1
113.02362	0.1
160.10847	0.1
191.05678	0.1
209.11836	0.2
227.12851	0.1
277.21512	0.1
278.22272	0.1
279.22678	0.1
293.21451	0.2
393.19931	0.1
399.14282	0.1
417.15070	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13633	2.8
59.01357	7.6
61.98830	58.0
78.95904	8.3
87.93432	3.5
152.99570	7.9
153.89919	3.4
197.11797	4.6
207.10219	5.5
207.15886	3.5
229.22652	4.4
253.09346	5.2
277.21692	22.3
291.19342	3.5
293.21216	6.5
372.07376	3.5
379.24966	8.4
385.23822	100.0
386.24036	14.7
691.08795	3.5
737.40643	20.6
738.40234	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	737.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
59.01374	7.8
61.98825	4.2
69.03458	4.2
69.31767	1.3
69.32182	3.4
71.01378	6.3
71.05001	2.7
73.02962	1.0
75.84084	0.6
78.95909	1.4
83.01398	0.9
85.02950	1.9
87.00877	1.3
89.02429	3.6
97.02906	0.7
97.06534	0.7
98.19932	1.1
101.02425	4.5
111.04536	0.9
113.02458	2.6
118.93179	0.5
119.03473	1.1
123.08165	1.4
125.09708	2.2
143.03545	0.6
151.11285	2.0
153.12856	1.6
157.71956	0.6
161.04526	1.1
161.09712	3.0
169.12306	2.2
171.10228	1.1
179.10783	7.3
180.55011	0.5
187.07690	0.7
191.05672	0.6
195.10271	1.0
197.11823	88.1
198.12164	4.7
205.08656	2.7
213.11298	0.8
223.09789	3.8
230.07198	0.6
235.08130	0.6
241.10809	5.8
253.09203	4.5
277.21704	42.0
278.22034	4.8
279.23297	0.8
459.18628	1.8
477.19736	2.7
596.96375	0.7
634.51080	0.6
719.40161	1.9
720.40881	0.9
737.41132	100.0
738.41461	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.6
58.00595	0.6
59.01377	4.8
59.10475	0.6
61.98838	3.7
65.38834	0.6
69.03454	4.4
69.60179	4.3
71.01389	4.5
71.04993	1.2
73.02927	0.9
82.78855	0.5
83.01385	1.0
83.05002	1.0
85.02957	1.0
87.00854	1.1
89.02431	1.7
89.68784	0.6
98.20723	1.0
101.02435	3.5
113.02424	1.2
119.03438	0.8
119.91676	0.5
120.30509	0.5
123.08109	1.1
125.09689	1.7
144.21046	0.7
151.11278	3.2
153.12801	1.2
161.04501	1.3
161.09691	4.5
161.13565	0.6
169.12308	3.8
179.10756	8.4
197.11823	46.2
198.12154	2.9
223.09663	1.7
235.08171	1.0
241.10741	2.5
245.08292	0.6
246.08141	0.6
253.09328	2.6
277.21707	58.2
278.22098	4.6
293.24716	0.8
335.25821	0.8
377.60764	0.6
379.24890	2.7
459.18356	0.8
477.19714	2.5
639.89850	0.7
719.39984	0.8
737.41125	100.0
738.41425	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	737.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	2.5
62.82600	1.2
63.96231	1.4
67.62062	1.0
69.83656	1.0
70.59886	3.2
71.01370	8.4
73.02950	1.8
78.95896	11.7
78.98582	4.7
79.95731	13.6
80.96514	65.8
85.02944	1.4
87.00865	2.0
91.14716	1.0
94.98080	15.5
97.02942	2.0
101.02444	2.4
106.98056	2.7
110.98534	2.4
115.92075	2.4
116.92838	1.6
122.97562	12.2
125.02428	2.4
134.97554	5.6
136.99065	1.5
141.93321	1.1
148.43774	1.1
148.99095	5.4
152.98524	7.0
152.99600	3.4
164.98621	12.7
167.01137	1.4
171.10271	2.9
176.87605	1.0
179.89204	2.9
196.89404	2.4
199.13443	1.9
206.99672	2.5
225.00720	17.4
255.23224	5.8
277.21719	8.0
278.22003	1.4
279.23270	3.6
291.19687	1.7
309.20651	2.0
339.56647	1.3
374.47937	1.2
481.17123	2.7
500.81183	1.2
537.27692	1.8
737.30066	5.6
737.41431	100.0
738.29956	2.0
738.41534	26.0
738.53577	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	736.34
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
61.98832	100.0
69.07088	0.2
71.01391	0.6
71.51721	0.3
71.52143	0.4
78.95909	0.4
85.02975	0.2
89.02443	0.4
89.90569	0.3
92.94670	0.3
99.04529	0.9
101.02447	0.4
191.05656	1.0
207.10345	0.3
209.11905	0.9
225.11368	0.7
245.08153	0.3
253.09309	0.3
277.21823	0.9
278.22018	0.3
289.18143	0.4
293.21320	0.7
309.21085	0.4
397.13681	0.8
398.13910	0.7
623.44806	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.339
Annotation	Unknow
Peak:m/z	Relative Intensity
63.43646	0.6
66.91863	0.7
69.03462	1.2
70.30142	2.2
78.95905	1.8
83.05030	1.4
85.06626	0.6
99.08167	0.8
131.03552	1.0
135.11803	2.7
167.14433	1.8
191.05618	2.1
211.13385	100.0
212.13747	6.3
273.88098	0.8
301.20142	1.0
313.03510	4.0
314.03928	0.8
328.05783	0.6
341.82291	0.8
343.08420	6.4
343.17578	51.9
343.20795	2.4
344.08655	1.4
344.17978	5.1
359.09055	0.9
723.25104	0.7
747.64288	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19789	2.0
61.98833	8.3
68.95556	1.8
69.75685	1.8
70.07709	3.3
70.08104	6.4
71.01400	2.4
78.95902	100.0
80.96523	2.9
96.96975	7.6
99.92577	12.9
115.92075	31.7
116.92851	25.3
150.98055	5.5
152.99580	29.1
163.89786	3.3
171.10263	23.4
172.95496	6.0
178.88434	10.3
179.89217	38.4
180.90038	16.3
194.87920	4.0
196.89499	36.4
197.89539	3.5
205.90758	2.4
208.49992	1.7
219.92285	2.7
221.90308	3.0
235.91884	6.7
236.92577	7.3
252.92075	2.2
271.02646	2.7
325.10657	3.4
374.02322	2.5
414.77753	2.1
465.06192	6.0
538.98914	2.6
644.24329	6.7
687.25964	2.8
699.26190	3.9
717.27356	7.5
718.27301	3.2
735.28296	62.9
735.40546	5.6
736.28125	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	735.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.3
61.98830	100.0
67.59740	2.2
68.68449	2.4
70.64714	6.2
71.01364	4.7
85.02971	3.0
85.88235	2.5
99.04530	15.3
127.01423	2.6
163.03903	2.4
171.10225	4.3
188.75638	2.5
258.56592	3.0
267.95111	2.5
277.21945	3.7
298.85248	2.5
349.47360	2.4
528.97791	2.8
597.38397	3.3
679.99219	2.8
735.37769	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	735.4342
Annotation	Nonactin
Peak:m/z	Relative Intensity
52.94212	1.7
59.01361	7.8
61.98819	15.2
68.17965	1.9
71.01359	5.0
74.14059	1.6
78.95905	3.4
85.02946	2.6
85.20253	1.7
94.04253	1.8
98.20742	3.4
101.02430	5.1
152.99641	2.3
159.11798	2.8
177.12833	17.3
178.23247	1.7
195.13881	58.2
196.14180	5.3
221.11812	4.4
235.08253	3.0
239.12915	6.2
253.09291	5.2
277.21701	80.0
278.22064	8.9
455.35159	6.6
456.35776	10.6
457.20856	2.3
457.36020	3.9
475.21616	3.5
735.43280	100.0
736.43481	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	736.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98827	100.0
71.01346	0.2
73.44554	0.2
75.00836	0.3
98.19904	0.8
99.04539	0.6
127.27464	0.2
152.99579	0.3
184.09830	0.2
191.05589	0.4
208.39362	0.3
218.67284	0.3
223.09860	0.3
241.10834	0.4
277.21762	1.2
395.06354	0.2
455.17374	0.4
460.19202	0.5
473.18442	0.3
474.18796	0.3
499.14630	0.3
511.16348	0.3
512.14117	0.8
513.14142	0.3
514.15039	0.4
515.13599	0.5
526.15479	0.4
527.15765	0.5
528.15607	0.5
529.15851	0.7
574.20508	0.4
576.22467	0.2
614.20288	3.9
615.20673	2.1
616.20673	1.0
617.20496	4.0
618.20490	1.8
619.20636	0.3
646.19995	0.6
649.19763	0.7
676.19952	0.5
736.20905	1.5
737.21857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.5619
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	10.7
66.66787	1.7
74.04631	1.6
78.95898	3.6
78.98554	1.7
79.95742	1.9
80.96515	12.0
94.98061	2.7
98.19865	3.7
112.95768	1.7
113.62231	1.7
152.99649	2.5
196.89499	2.0
204.16109	1.5
225.00720	2.3
277.21689	2.1
301.21396	1.6
403.28519	100.0
404.28949	14.2
733.37836	15.3
734.38306	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	733.5781
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28864	1.7
59.01361	3.2
60.02048	2.0
61.98827	19.4
71.01380	3.1
71.51898	2.9
78.95901	2.0
78.98569	2.4
80.51771	1.8
80.96520	17.8
82.96094	7.5
94.98081	2.3
96.97634	1.7
110.37985	1.9
152.82010	1.9
152.99570	3.6
183.01204	2.6
225.00725	2.4
237.14928	2.9
277.21732	6.7
315.47656	1.9
324.30576	2.2
337.09851	1.8
339.20020	10.1
340.20062	3.1
419.08646	1.8
455.35263	100.0
456.35764	16.6
636.25781	2.5
650.07538	2.1
733.36987	37.2
734.37311	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	733.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96874	0.8
59.01362	4.3
64.62787	0.9
69.41883	4.8
69.42291	2.2
76.29231	1.1
79.95732	29.9
96.95985	3.0
101.02476	1.2
112.08842	1.0
124.46181	1.1
135.04547	6.5
151.58345	1.1
163.04004	47.1
164.04355	3.2
178.06345	51.9
179.06657	3.9
191.05560	3.1
193.08679	51.4
194.08983	3.2
198.04211	0.9
251.02026	1.0
258.01987	2.2
268.55450	1.1
273.04376	100.0
274.04697	7.6
299.93719	1.2
313.73782	1.1
318.62747	1.2
341.55530	1.1
353.78708	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.4
60.47458	1.3
61.98826	20.1
67.45509	1.5
71.52484	2.4
97.06569	1.4
99.04517	40.5
100.04865	1.3
149.06052	2.0
181.08017	1.2
191.05669	1.5
201.13867	1.2
217.00322	2.0
248.13980	1.8
287.70154	1.5
291.19650	2.4
315.19629	71.7
316.20129	7.6
317.21179	100.0
318.21582	11.1
415.24878	91.0
415.29288	1.2
416.25339	13.2
489.48688	1.5
733.40149	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	733.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.9
61.98820	3.1
63.46053	0.8
71.52449	0.7
77.05250	0.6
99.04518	1.0
108.21166	0.6
123.56713	0.6
139.16837	0.7
332.25732	0.7
425.12573	0.9
427.14130	1.0
438.09546	1.7
441.15878	0.7
442.16348	2.6
443.16653	1.2
444.14514	1.0
452.11389	1.1
453.11917	2.3
454.09296	2.4
455.17468	9.6
456.17532	2.6
457.18799	14.6
458.19034	4.5
459.16638	1.2
467.13556	1.2
468.10284	1.4
469.11481	2.6
470.16342	1.4
473.18295	11.8
474.15585	3.9
475.15784	1.8
481.11646	1.6
482.11865	1.2
483.12424	1.4
485.18484	6.6
486.18411	1.5
488.17273	1.6
495.13086	1.1
496.13605	8.8
497.15503	3.7
499.16058	1.4
501.17581	1.3
502.15036	2.0
510.15338	1.4
511.15848	13.2
512.13165	23.7
513.13727	7.6
513.21246	2.0
526.14941	14.7
527.15668	16.2
528.16492	5.1
529.17358	1.9
539.19318	1.0
555.18500	2.2
560.15778	1.3
583.18311	9.9
584.18579	2.2
597.19702	4.3
598.20313	1.8
599.21857	7.7
600.21362	3.2
613.19312	1.7
614.20166	100.0
615.20648	49.1
616.21320	6.0
629.22675	1.3
630.22083	1.2
645.22021	1.4
646.19031	12.1
647.19855	3.5
673.21533	6.7
674.22009	2.4
733.23926	4.8
734.24078	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56736	0.4
59.01367	0.6
69.54000	1.4
69.54440	1.2
79.95734	26.2
87.79026	0.4
95.95175	0.5
96.96001	0.5
111.78864	0.3
120.99579	0.4
135.04501	4.4
140.64162	0.4
148.25427	0.4
163.04002	44.1
164.04343	2.1
177.05602	0.5
178.06342	51.1
179.06691	3.3
188.95110	0.4
193.08688	43.4
194.08997	3.4
203.67139	0.4
209.43343	0.4
212.83615	0.4
258.02005	1.1
273.04370	100.0
274.04718	7.5
357.29770	0.4
384.02805	0.4
629.77203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.368
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46796	0.6
59.01370	0.8
61.98829	38.7
63.96224	0.9
69.03430	0.9
69.43081	5.0
71.01376	8.5
73.02932	2.2
78.98585	6.9
79.95733	14.0
80.96514	82.6
85.02944	3.6
87.00872	2.6
94.98084	17.7
96.96022	1.1
97.02948	1.7
99.00855	1.1
101.02422	3.2
106.98080	3.0
115.42696	0.8
117.11048	0.8
122.97588	4.1
125.02426	3.1
127.04002	1.2
127.17805	0.7
131.08913	0.7
134.97569	4.8
136.99100	2.0
139.51282	0.8
148.99152	8.2
152.98607	5.6
161.16064	0.8
164.98619	11.8
171.10229	2.0
206.99693	2.3
225.00731	16.7
277.21497	0.8
294.52185	0.7
311.50812	0.8
399.25391	1.5
453.14459	2.8
559.25476	1.7
731.36780	100.0
732.37006	26.9
746.73627	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
59.14670	0.1
61.98830	100.0
62.98512	0.2
71.01394	0.2
73.45753	0.1
79.95727	0.3
80.96516	1.4
82.04678	0.2
94.98108	0.3
124.33896	0.1
130.87018	0.1
148.02913	0.1
148.99171	0.2
149.95659	0.1
152.98615	0.2
164.98738	0.2
171.10292	0.4
172.10646	0.3
225.00742	0.3
277.21774	0.3
278.22128	0.6
292.84915	0.2
326.23578	0.2
475.52829	0.2
554.41022	0.2
731.36981	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	731.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90098	1.8
59.01380	100.0
60.91294	2.3
69.51385	17.2
71.01382	9.2
73.02950	3.5
76.45493	2.2
79.39919	2.6
85.02942	4.8
96.98392	2.4
101.02444	6.5
113.02441	4.5
117.03464	2.4
118.01108	2.1
161.04541	5.3
295.28519	2.4
297.50525	2.0
299.01984	13.3
314.04346	15.7
315.18161	16.2
329.06647	17.9
357.19070	8.5
408.00195	2.3
449.77676	2.4
611.33936	3.1
629.35248	2.8
650.37579	2.4
731.31720	2.6
736.34143	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	729.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08474	1.6
59.01379	100.0
61.98817	2.9
71.01379	8.8
71.53851	2.9
73.02938	7.7
83.01356	2.8
85.02943	5.5
87.04507	3.4
89.02484	2.4
93.03480	2.4
96.95975	3.4
98.11425	1.9
99.00865	3.4
101.02454	9.2
113.00927	1.8
113.02416	5.0
135.04485	1.9
137.15434	1.9
160.05251	4.1
161.04619	2.6
161.06088	2.4
175.07607	4.2
177.05595	2.5
181.12344	9.0
191.05557	7.6
225.11333	4.9
267.12402	5.3
309.13367	7.3
315.18216	11.5
322.39722	1.7
327.21744	3.6
329.13791	9.3
353.15073	1.7
357.19214	4.5
369.15414	4.2
427.17560	3.1
428.17819	3.2
480.10736	2.0
729.30695	6.3
730.30841	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	730.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21653	0.2
61.98829	100.0
65.27179	0.1
70.99620	0.3
71.01400	0.1
74.98290	0.1
75.10753	0.1
79.95737	0.3
80.96513	1.4
86.15453	0.1
94.98067	0.3
114.03333	0.1
119.03371	0.1
131.58199	0.1
148.99118	0.3
157.21225	0.1
164.98621	0.3
171.10321	0.6
172.10706	0.6
173.10802	0.2
214.51958	0.1
225.00729	0.3
277.21991	0.2
278.21991	0.3
279.22491	0.3
376.88229	0.2
386.35611	0.1
389.66922	0.1
416.41647	0.2
449.75824	0.2
525.55243	0.1
545.60065	0.1
731.37030	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	727.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40413	0.5
53.30722	0.5
55.01894	0.7
57.03429	0.7
59.01379	38.8
61.98814	0.8
67.65315	0.4
71.01373	3.9
73.02940	1.7
74.28621	0.5
78.95870	0.6
83.01385	0.7
85.02937	1.2
87.00861	1.1
89.02442	1.7
90.63928	0.5
90.90669	0.4
97.06573	1.1
98.19904	0.9
98.82355	0.7
99.77102	0.5
101.02425	3.0
113.02431	1.5
115.04011	0.6
119.03462	0.9
125.09745	1.0
127.11292	0.9
142.80170	0.6
151.11314	3.5
154.31795	0.6
161.04572	1.2
169.12340	30.8
170.12669	2.1
171.10268	49.8
172.10587	2.1
213.11258	1.7
231.12323	1.8
235.08209	1.5
253.09303	4.1
277.21710	62.8
278.22043	8.2
281.13751	0.5
312.11523	0.5
354.26254	0.8
399.17004	0.5
449.20392	2.0
467.21210	1.1
581.95746	0.5
709.41956	4.6
710.42181	0.9
727.42688	100.0
728.43048	27.3
731.88763	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29874	0.9
59.01382	1.2
69.67789	0.7
79.95735	31.5
85.95210	0.9
96.37080	0.7
96.96033	0.9
135.04546	5.8
139.70734	0.9
163.04002	55.0
164.04355	3.4
178.06346	54.5
179.06731	4.0
188.72231	0.7
193.08688	51.0
194.08975	3.6
258.01981	1.3
273.04376	100.0
274.04721	6.3
311.88968	0.8
549.04688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.4
59.23730	0.3
69.48161	0.8
69.48573	2.3
71.01381	2.1
73.02922	2.1
79.79826	0.3
83.01379	0.7
84.01708	0.3
85.02940	1.6
87.00887	0.5
96.95974	0.4
98.20632	0.7
101.02458	2.7
113.02435	1.1
137.85918	0.4
155.71136	0.4
161.04529	0.8
166.63036	0.4
191.05592	0.8
215.14323	0.6
319.22720	4.1
349.20023	0.5
401.52979	0.5
437.21780	1.2
481.28043	100.0
482.28409	16.9
482.34213	0.3
523.29071	3.9
524.29401	0.5
643.66522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.8
64.81171	0.6
71.01385	1.1
71.52563	0.8
73.02956	0.6
75.31105	0.5
78.95893	2.4
85.02939	0.9
89.02458	1.0
101.02440	1.8
103.44837	0.5
113.02399	1.3
191.05678	0.5
198.92143	0.5
201.58749	0.5
317.21317	1.6
392.16629	0.7
461.25412	3.9
462.25531	0.8
479.26526	10.5
480.26620	1.7
521.27551	100.0
522.27911	18.4
609.02979	0.6
623.38135	1.1
727.32397	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	727.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66525	0.4
59.01382	11.4
61.98816	0.9
71.01387	5.7
71.53056	0.5
73.02936	0.5
78.74689	0.4
83.01378	0.6
85.02937	1.4
89.02448	5.2
96.96017	0.5
101.02460	4.4
113.02443	1.8
119.03519	2.0
135.04480	0.4
167.63966	0.5
167.85202	0.5
185.25694	0.4
186.70917	0.5
191.05624	0.5
209.52927	0.4
217.29228	0.5
217.88800	0.5
241.86588	0.4
299.20148	34.8
300.20526	4.1
317.21164	1.7
319.19073	0.6
461.25491	0.9
479.26480	100.0
480.26819	15.5
521.27533	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	727.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73296	0.4
59.01379	34.3
60.01717	0.4
61.98820	1.3
63.68865	0.4
71.01373	3.9
71.51742	0.4
71.52194	0.5
73.02946	0.7
77.59293	0.5
83.01379	0.6
83.05096	0.4
83.08707	0.4
83.69092	0.3
85.02955	1.3
86.14168	0.4
87.00888	0.5
89.02444	2.5
95.01372	0.4
97.06543	0.5
101.02428	2.7
101.14829	0.5
108.85635	0.4
113.02435	1.8
119.03482	1.1
125.09715	0.7
127.11276	1.8
135.73088	0.4
143.03493	0.4
145.14082	0.4
147.04533	0.4
151.11279	3.7
152.11662	0.5
161.04544	1.3
169.12341	32.8
170.12685	1.7
171.10268	88.6
172.10605	4.0
187.13367	0.4
191.05597	0.5
194.29982	0.5
213.11314	4.0
231.12338	3.5
232.12550	0.5
235.08208	1.1
253.09232	5.0
277.21719	30.0
278.22000	3.2
407.19156	1.4
449.19873	2.0
467.21225	3.0
470.34854	0.5
709.41675	5.5
710.41766	1.4
727.42725	100.0
728.43127	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	727.319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03913	1.3
57.03440	2.1
59.01382	19.9
59.01661	2.4
61.98843	2.5
71.01376	9.2
73.02947	11.5
83.01382	2.8
85.02947	2.5
87.00877	1.7
89.02441	3.3
93.03450	3.0
96.95995	6.1
99.04507	4.9
101.02429	11.0
109.02954	1.4
113.02462	2.8
117.03489	1.8
118.64039	1.2
148.28221	1.3
153.24202	1.1
161.02396	1.9
173.04555	2.7
191.05594	8.9
192.05927	1.8
213.09218	1.3
299.20126	37.0
300.20453	4.7
317.21198	3.9
349.20166	8.9
357.16840	1.3
425.16071	2.5
426.16592	1.3
479.26526	11.7
497.26874	1.3
521.27551	100.0
522.27905	15.1
595.31403	1.2
630.23224	1.8
695.98859	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	4.5
59.01381	6.4
59.89082	1.1
63.34394	1.0
69.03431	1.4
71.01382	6.9
72.99315	1.1
73.02954	2.0
75.00858	1.6
78.95909	5.3
79.60129	0.9
85.02931	1.7
87.00887	2.3
89.02448	2.2
89.57952	0.9
94.41569	0.9
95.05011	1.0
97.06586	2.3
98.19848	1.8
101.02453	4.0
113.02454	2.1
123.08154	1.7
125.09746	4.3
127.11249	1.0
139.11292	3.4
141.12805	1.4
152.99597	8.3
161.04573	2.5
163.11250	0.9
166.13480	0.8
167.10786	6.6
171.10248	3.6
185.11827	64.7
186.12180	3.7
201.11232	1.0
209.11816	3.1
211.09746	1.5
215.12845	1.3
225.11237	2.5
227.12888	2.5
228.13252	2.4
229.10866	1.5
229.13353	1.9
235.08240	2.3
253.09277	6.9
253.21646	1.1
277.21722	90.7
278.22089	10.6
279.23206	1.7
465.19818	1.2
471.16364	5.6
689.36115	1.2
707.37714	7.9
708.38147	2.0
725.41125	100.0
726.41510	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	725.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.3
69.03448	2.1
70.14004	1.1
70.14386	1.3
71.01392	0.6
71.05018	50.9
72.05361	1.6
73.02915	1.0
77.21946	0.6
83.05040	1.0
96.96001	3.8
98.15976	0.6
99.04544	0.6
101.02509	0.7
125.09715	1.5
131.03546	1.2
134.02527	0.6
136.89915	0.6
137.09727	0.9
145.93889	0.6
153.12845	36.1
154.13168	1.7
173.04541	0.7
191.05647	2.7
197.11818	100.0
198.12144	6.3
204.24947	0.6
234.01727	0.6
275.09549	0.8
318.40506	0.6
329.16031	49.6
330.16324	5.6
476.19391	0.7
521.27271	4.4
540.20148	0.6
665.49036	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27379	0.4
53.57556	0.5
57.03452	2.9
58.10049	0.4
59.01383	6.0
61.43238	0.5
61.98820	2.1
68.63175	0.5
69.03445	0.9
71.01382	5.5
72.99279	0.6
73.02938	1.9
75.00872	2.2
78.95901	4.3
81.71318	0.5
83.01392	0.9
85.02960	2.0
87.00900	0.8
89.02425	3.0
95.05014	0.8
96.96989	0.6
97.06549	0.6
98.19815	0.8
99.00851	0.5
101.02444	4.3
109.11417	0.6
113.02458	1.6
119.03543	0.6
123.08161	1.1
125.09718	2.8
127.11314	0.7
139.11273	1.6
141.12852	1.7
152.99603	6.1
155.10756	1.0
161.04535	1.3
163.11259	0.8
167.10739	4.5
171.10257	4.0
185.11818	100.0
186.12173	5.9
201.11333	1.9
209.11827	2.2
210.12157	0.6
211.09729	1.1
215.12935	0.9
225.11282	1.7
227.12830	1.0
228.13087	0.8
229.10806	1.7
235.08144	1.1
253.09282	5.1
253.21680	0.6
269.10696	0.6
277.21707	29.9
278.22055	4.6
279.23065	0.5
421.20667	0.6
426.60733	0.6
444.98706	0.6
447.18356	1.3
453.15234	1.0
465.19852	3.3
471.16248	4.0
489.17578	1.0
707.37775	5.5
708.38055	1.7
725.41083	80.5
726.41455	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	725.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.1
62.29802	0.2
63.41272	0.2
69.70379	1.0
71.01383	1.3
73.02936	0.5
76.78310	0.2
83.01383	0.2
85.02951	0.6
89.02443	0.4
93.03442	0.8
96.95968	0.3
98.20661	0.3
101.02416	0.6
102.76346	0.2
108.02199	0.2
109.02931	0.5
113.02453	0.6
119.03521	0.2
121.02931	2.9
122.03748	1.3
123.00870	0.9
123.04498	0.3
124.01644	0.4
133.02927	0.3
135.04506	0.3
136.01669	0.3
136.05292	1.0
137.02435	0.4
137.06050	0.4
138.03290	0.2
143.05054	0.5
145.02959	0.3
146.03722	0.2
147.04520	2.2
149.02431	1.3
149.06046	0.2
150.03220	4.8
151.03934	0.4
153.05525	0.5
158.03694	2.3
159.04509	6.2
160.05295	22.3
161.04536	0.7
161.06059	6.1
162.03308	0.3
162.06427	0.3
163.03987	4.6
164.03481	0.4
164.04799	4.7
165.05305	0.4
173.06064	3.3
174.06728	0.5
175.07635	21.4
176.04774	0.6
176.08069	1.2
177.05557	6.0
177.07109	0.3
178.06345	7.4
179.06740	0.3
184.97269	0.2
191.05614	1.5
191.07172	0.4
192.07930	1.7
193.08699	3.4
265.14493	0.2
284.10516	0.4
297.13437	0.3
299.12888	0.6
314.11597	1.0
329.13925	100.0
330.14276	10.0
341.13800	0.2
351.07294	0.4
359.14984	16.9
360.15283	1.9
401.15887	0.4
473.18222	1.9
474.17953	0.3
477.10403	0.3
495.62057	0.2
503.19049	2.0
504.19833	0.5
521.20013	0.7
533.20447	0.8
563.21179	1.0
679.17889	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76622	0.9
53.17490	0.9
54.41596	0.9
57.03847	0.9
58.00591	1.7
59.01382	36.4
69.76481	1.0
70.94155	2.0
71.01006	1.8
71.01379	23.5
72.99310	2.0
83.01382	1.7
85.02940	4.3
87.00847	1.3
89.02437	24.9
89.43708	0.9
93.03439	1.1
95.01369	2.4
96.23492	1.0
96.96021	1.5
99.50375	1.0
101.02446	17.1
113.02465	10.0
116.92836	1.4
119.03510	9.6
119.04965	1.6
121.02964	1.1
123.04581	1.1
149.65648	0.9
150.03218	1.2
159.04492	1.8
160.05251	7.0
161.06023	1.9
161.08199	1.7
163.04002	2.2
164.04713	1.7
175.07613	6.5
177.05577	1.5
178.06378	1.2
191.05582	6.8
222.53810	1.1
307.04889	1.6
323.13470	100.0
324.13861	8.0
329.13950	26.2
330.14282	2.6
359.14911	3.9
401.18066	3.5
537.28528	1.0
608.45496	1.2
665.02893	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88399	0.2
55.01888	0.2
58.00599	0.2
59.01375	3.9
59.11771	0.2
61.51652	0.2
61.53279	0.2
61.98824	0.3
62.92753	0.2
69.44292	1.8
71.01376	2.8
71.21025	0.2
72.99332	0.2
73.02949	0.8
78.95910	0.4
80.02676	0.9
81.03461	1.0
83.01400	0.4
83.05024	4.4
84.02168	0.7
85.02950	0.8
86.09169	0.2
87.00873	0.4
89.02439	2.0
95.05026	0.8
98.20631	0.4
101.02437	2.7
103.04015	0.2
113.02443	1.4
119.03500	0.8
125.06081	0.5
125.09713	0.3
129.10686	0.2
135.08197	0.4
139.22206	0.2
143.03528	0.4
145.05019	0.5
147.11801	0.3
152.99583	0.7
161.04613	1.1
163.11287	3.2
165.12840	2.0
179.05608	0.5
181.12383	0.4
181.60320	0.2
191.10776	0.9
209.11824	100.0
210.12161	6.4
227.12885	10.4
227.15169	0.4
228.13147	0.8
235.08215	3.3
236.08572	0.2
253.09273	9.0
254.09679	0.2
275.20108	0.4
277.21707	74.5
278.22064	8.1
445.20813	0.5
469.14343	0.4
723.43085	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.4
61.98808	0.2
69.23386	2.4
71.01384	2.6
71.05002	0.3
71.16460	0.2
73.02956	0.4
73.67891	0.3
78.95912	0.5
80.02686	1.0
81.03452	1.2
83.01396	0.4
83.05027	4.5
84.02177	0.7
85.02937	0.6
87.00864	0.5
88.04458	0.2
89.02435	1.6
95.05061	0.4
100.16346	0.2
101.02440	1.9
104.32847	0.2
109.06618	0.3
113.02442	1.1
119.03528	0.3
125.06084	0.5
135.08173	0.5
145.05080	0.4
152.99561	0.7
155.10732	0.3
161.04535	0.9
163.11302	2.7
165.12885	1.7
179.05582	0.4
181.12360	0.6
184.99220	0.3
191.10805	0.9
196.56798	0.2
199.05824	0.2
199.13426	0.4
209.11823	100.0
210.12166	5.8
227.12881	11.4
227.15160	0.5
228.13258	0.9
235.08244	1.7
253.09279	7.6
254.09662	0.4
277.21713	55.4
278.22086	5.8
334.76840	0.3
445.20840	0.9
463.21631	0.3
469.14804	0.3
649.35065	0.3
705.37048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12119	0.9
55.59229	0.7
61.98824	1.6
63.73032	0.7
78.95901	39.0
80.02650	1.3
81.03443	1.5
81.87760	0.8
83.05038	7.4
84.02191	0.9
88.79282	0.7
95.05013	1.5
96.96946	3.1
98.19875	1.8
100.97156	0.8
125.06039	1.4
132.23792	0.8
152.86545	0.9
152.99580	45.4
157.58356	0.9
163.11302	5.4
165.12827	2.9
171.00650	5.5
180.72456	0.8
181.12384	0.9
187.14946	0.9
191.10692	2.1
203.20158	0.8
209.11818	100.0
210.12175	6.3
216.83331	0.7
227.03236	4.1
227.12859	10.5
232.44348	0.8
245.04306	1.3
253.21693	20.4
254.22130	2.0
277.21637	1.3
290.52155	0.9
351.51300	0.8
363.12067	2.9
395.14877	1.6
437.15790	4.0
455.16977	10.5
487.19473	76.1
488.19824	9.5
561.68640	0.9
623.25378	0.9
691.38641	6.0
692.38324	1.4
723.40814	52.6
724.41193	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	723.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80621	0.6
59.01357	0.9
61.01530	0.6
69.65195	3.5
79.09474	0.7
79.95744	17.9
80.96523	5.7
96.36665	0.6
96.96018	1.6
97.82339	0.6
135.04539	0.7
163.13628	0.7
164.04791	74.4
165.05122	3.8
179.07137	64.9
179.08803	1.0
180.07455	3.7
191.05554	1.9
259.02795	100.0
260.03046	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	723.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.5
61.98832	0.4
69.03491	0.3
69.39310	0.5
69.39716	1.6
69.46755	0.3
71.01379	2.6
73.02924	0.5
85.02969	1.4
87.00876	0.4
89.02449	1.2
92.09042	0.3
93.03458	1.6
95.01392	0.4
96.96007	1.5
101.02425	1.5
108.02149	1.1
113.02464	1.2
115.36938	0.3
121.02950	3.9
122.03736	1.4
123.00854	0.3
133.02930	0.3
134.03752	0.8
135.04593	0.5
136.01660	57.5
137.02296	2.0
143.03444	0.4
149.06046	0.9
151.04005	89.8
152.04333	4.3
159.04454	0.7
160.05264	1.3
161.04608	1.6
161.05939	0.4
162.03201	0.9
163.04004	0.7
168.38033	0.3
173.04555	0.7
175.03876	0.5
175.07657	1.4
177.05554	0.7
179.03531	0.5
179.05737	0.4
185.10385	0.3
188.04814	0.3
189.05530	0.4
191.05598	1.3
193.05142	0.3
201.08884	0.3
201.11264	0.5
232.79695	0.3
245.09192	0.4
249.13690	0.3
273.52487	0.4
284.67599	0.3
296.10263	0.3
309.07697	0.7
311.12845	0.6
324.10162	0.5
339.12393	1.3
342.11139	4.5
343.11270	0.6
357.13422	100.0
358.13760	11.5
374.02667	0.3
467.64218	0.3
501.17654	2.7
519.18591	0.5
524.86615	0.3
543.15100	0.4
547.02179	0.3
551.20416	0.3
561.20087	0.3
656.31335	0.3
723.20520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	10.1
59.01368	2.6
61.98804	1.0
63.93999	0.9
67.01886	2.4
69.03446	2.3
69.82038	1.0
79.05515	1.7
81.03448	2.1
83.05008	1.9
85.02946	2.3
91.05524	1.9
93.03450	3.4
95.01357	1.5
95.05015	3.1
97.02952	4.2
99.04516	100.0
100.04842	3.2
100.39394	0.9
105.07112	5.2
107.05029	2.2
108.02140	2.5
109.02935	3.3
109.06581	1.4
111.04479	3.2
119.05044	1.2
121.06592	4.2
121.35405	0.8
122.03699	1.8
123.04517	14.8
125.06042	2.5
131.04987	1.5
133.06583	4.8
135.04491	3.4
135.08122	1.2
137.06027	3.2
143.04987	3.4
143.08638	1.1
144.05775	1.9
145.06590	6.8
147.04477	1.5
147.08170	2.3
149.06104	5.9
151.03960	3.3
156.05772	1.7
157.06529	3.2
159.04445	1.8
159.08139	9.4
161.06071	3.4
161.09703	13.7
163.07599	3.1
165.05554	1.4
169.06534	2.5
170.07278	1.3
171.04486	1.3
171.08148	6.4
172.05284	1.8
173.06049	2.2
175.04057	1.6
175.07610	3.7
177.05563	4.2
179.07022	1.7
183.08099	4.9
185.06046	2.4
185.09718	9.3
186.06728	2.0
187.03992	1.5
187.07634	4.8
188.08438	1.4
189.05592	2.0
189.09142	1.1
191.03610	1.0
191.05550	4.3
191.07124	2.0
195.08063	1.7
197.05972	1.3
198.06808	3.4
199.07561	1.8
201.09201	11.3
202.06313	1.0
203.07095	3.0
203.10765	39.2
204.11066	2.9
205.08676	2.4
211.07602	1.4
211.11258	1.0
213.09198	12.2
215.07002	3.8
216.07774	1.0
217.08664	1.1
225.63150	0.9
227.07112	2.1
229.08684	6.9
231.10251	18.8
232.10460	1.6
245.08165	17.6
246.08437	2.5
247.09735	93.6
248.10052	7.3
257.08194	8.6
258.08328	0.9
275.09232	10.4
417.20847	1.3
421.16458	1.7
422.24448	1.1
431.18344	1.2
449.19537	3.8
461.19617	11.4
462.20007	1.7
479.20587	10.9
480.20639	2.9
493.18613	5.8
505.18854	1.6
523.19403	1.9
726.50037	1.0
751.46167	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94995	0.5
57.03463	0.7
57.46617	0.6
59.01382	5.3
60.99309	1.9
67.01892	6.5
69.03455	1.9
69.48058	2.8
69.48470	1.4
71.01389	4.9
71.16348	0.6
73.02956	0.9
75.00895	0.7
81.03461	1.9
83.05048	1.3
85.02946	11.1
86.03278	0.7
87.00883	10.6
89.02428	1.2
93.03457	50.1
94.03792	1.6
96.96016	2.9
98.19901	1.0
99.00890	0.8
99.04502	1.3
101.02472	1.6
105.03486	2.2
109.02973	3.2
111.04517	6.4
113.02455	2.3
127.04001	2.8
129.01939	0.8
132.02173	7.0
133.02963	16.4
134.03719	2.1
135.04529	13.1
137.02412	2.4
143.03481	1.3
149.06033	0.6
150.03253	0.8
151.03984	0.8
155.03502	1.9
160.01657	18.9
161.02457	8.6
167.83281	0.6
171.03000	0.8
173.04543	20.5
174.04858	1.0
175.62846	0.6
176.04794	0.6
177.01901	6.2
178.02652	3.0
179.03505	6.8
185.02507	0.8
191.05605	100.0
192.04396	0.9
192.05949	3.7
193.05057	8.1
203.03456	0.6
207.06557	1.7
214.01846	0.6
215.05582	6.9
220.03741	2.3
249.07843	0.7
249.14963	0.7
307.08246	0.9
351.07147	18.5
352.07452	2.3
367.10361	8.1
368.10706	0.7
369.09781	10.5
411.10791	7.4
412.11160	0.8
441.12164	0.9
467.20145	0.6
475.18109	1.1
531.15063	12.2
532.15326	2.1
543.15082	23.0
544.15601	2.8
577.82684	0.6
717.68597	0.7
723.21313	33.6
724.21771	7.0
731.27917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
57.03448	0.4
57.35481	0.2
59.01378	5.0
61.98837	0.6
69.03457	0.5
69.79224	0.2
70.27831	0.5
70.28187	0.6
71.01382	3.4
71.05006	0.7
73.02598	0.2
73.02957	1.0
76.89958	0.2
78.95895	0.3
80.21360	0.2
81.03466	0.4
83.01373	0.5
83.05025	0.6
85.02962	0.9
87.00880	0.6
89.02448	1.4
91.04054	0.3
93.03472	0.3
95.01367	0.3
95.05029	0.4
97.02950	4.7
97.06615	1.0
98.19944	0.2
99.00874	7.9
101.02444	2.1
101.23930	0.2
109.06584	2.4
110.03709	0.6
111.04507	0.3
113.02441	1.5
119.03455	0.3
123.04518	0.5
123.08136	0.6
125.02419	0.8
125.09719	2.3
126.10085	0.2
135.08128	1.1
136.05270	0.9
142.02745	1.5
145.05049	0.4
161.04559	0.7
161.09773	0.5
163.11295	5.9
164.11603	0.3
171.10272	0.2
177.18361	0.2
179.10695	0.4
181.12331	8.1
182.12640	0.7
189.09114	0.3
199.13361	0.7
207.10251	30.9
208.10605	2.5
223.13460	0.3
225.11307	59.5
226.11653	4.1
233.22791	0.2
235.08226	3.5
239.12863	0.3
243.12355	8.2
244.12650	0.4
253.09222	4.1
254.09653	0.2
255.23256	0.3
267.12366	0.7
275.20023	0.3
277.21701	100.0
278.22043	10.1
285.13409	0.3
297.21823	0.2
299.15021	0.4
345.15704	0.3
360.87985	0.3
387.16370	0.4
405.17667	0.3
443.19083	4.0
444.19336	0.5
461.20313	8.3
462.20651	0.8
513.30688	0.3
562.79224	0.2
577.37524	0.5
721.41656	21.1
722.42096	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	721.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29328	0.3
67.06152	0.4
71.53441	0.4
71.53785	0.6
79.95734	25.9
80.96575	0.5
92.06097	0.4
93.03442	0.5
96.96019	0.7
133.02907	0.5
135.04536	3.5
139.98741	0.5
160.39064	0.4
163.04005	43.7
164.04317	2.5
173.04552	0.8
178.06343	49.5
179.06708	2.8
188.49644	0.4
191.05586	1.9
193.08684	44.3
194.08984	3.1
214.39957	0.5
224.09251	0.5
258.01941	2.0
273.04373	100.0
274.04727	6.3
362.19778	0.4
418.94357	0.5
501.60617	0.5
523.06799	0.5
628.75073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69243	0.6
54.46058	0.7
57.03441	0.8
59.01375	1.8
61.98831	18.2
66.28493	0.7
67.01881	0.8
69.03467	5.0
69.68364	0.7
71.52638	0.9
83.05038	2.5
85.02941	1.5
87.00854	1.2
93.03448	2.1
95.05046	1.3
96.96025	1.2
97.02944	0.9
99.04512	19.3
102.15678	0.7
102.57550	0.8
107.05051	1.3
107.08656	0.9
109.06633	0.7
111.04557	0.9
121.06590	1.8
133.06627	1.4
133.10196	3.3
135.08139	2.5
142.28407	0.7
143.08569	0.8
147.08186	1.7
149.06035	1.5
151.07635	8.2
159.08104	1.2
160.08926	1.0
161.09738	1.4
171.11774	7.1
172.12134	1.1
173.04552	1.1
173.09744	5.5
174.10484	0.9
174.27831	0.7
185.09761	1.6
187.11221	3.5
189.12849	34.3
190.13193	3.2
191.05611	15.8
203.10931	1.4
211.07576	0.9
215.10748	4.2
233.11819	12.7
234.12114	1.3
238.98375	0.8
247.09818	1.5
267.10605	12.6
277.10794	100.0
278.11176	7.4
279.12280	1.2
293.08453	1.6
309.13528	1.8
311.09589	34.1
312.09955	3.8
313.09488	1.3
689.25848	1.2
721.29095	15.8
722.29425	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	721.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
55.74271	0.3
57.03452	0.5
59.01385	6.0
60.69568	0.3
61.98824	0.6
69.03452	0.5
69.82654	0.3
71.01383	5.1
71.05033	0.7
73.02946	1.4
75.27627	0.3
81.03467	0.7
83.01397	0.9
83.05013	0.8
85.02981	1.5
87.00885	1.0
89.02438	1.9
95.01393	0.6
95.05032	0.5
97.02956	8.1
97.06609	1.0
99.00881	12.2
101.02452	3.2
109.06603	2.7
110.03741	1.3
111.04546	0.6
113.02462	2.1
115.04014	0.4
119.03520	0.3
123.04545	0.5
123.08184	0.7
125.02472	0.9
125.09733	3.7
133.05064	0.3
135.08167	1.1
136.05342	1.4
140.55627	0.3
142.02763	2.8
143.03508	0.6
145.05064	0.5
145.10211	0.7
152.99562	0.5
159.62901	0.3
161.04617	1.0
161.09731	0.8
163.11301	9.0
164.11670	0.5
171.10265	0.4
179.05566	0.4
179.10834	0.4
181.12346	16.7
182.12669	1.2
189.09258	0.5
194.68491	0.4
197.11885	0.8
199.13387	1.4
207.10265	54.7
208.10606	4.3
225.11320	100.0
226.11652	6.3
235.08264	2.5
243.12375	12.7
244.12628	0.7
253.09291	3.6
259.20712	0.6
267.12128	0.4
275.20145	0.5
277.21719	84.8
278.22076	8.8
278.62952	0.3
299.14932	1.0
317.15958	0.9
443.19235	3.7
461.20297	31.5
462.20508	3.6
541.02844	0.4
542.11475	0.4
577.37170	0.4
721.41663	23.8
722.41809	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	721.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92126	1.0
58.99588	3.7
59.01380	5.1
60.99299	2.4
62.58491	1.0
67.01885	6.1
69.03462	1.7
71.01383	4.3
73.02947	2.2
74.21012	0.8
76.29317	0.8
79.95729	4.4
81.03446	1.8
83.05026	1.6
85.02945	12.4
87.00865	8.0
93.03455	43.7
94.03797	1.0
94.95538	0.9
96.96012	2.4
98.19836	1.3
99.04478	1.1
99.37847	0.9
99.50974	0.8
101.02444	1.3
102.98602	11.3
104.64101	0.9
105.03464	1.4
109.02952	3.1
111.04515	6.9
113.02434	1.4
120.99644	2.7
127.03978	2.7
129.01888	1.1
129.92406	0.8
132.02148	5.8
133.02939	13.7
134.03755	2.3
135.04507	13.5
137.02440	2.4
143.03450	1.2
145.02939	1.3
147.74400	0.8
149.00644	1.5
149.75993	0.9
151.02165	1.5
155.03461	2.5
160.01649	13.2
161.02425	7.8
163.03986	8.1
173.04532	31.1
174.04900	2.0
175.04062	1.3
175.99323	1.8
177.00128	3.6
177.01904	4.9
178.00926	1.5
178.02530	1.2
178.06334	8.5
179.03479	5.1
179.05484	1.0
185.02455	1.9
187.03958	0.9
191.05605	100.0
192.05893	4.0
193.03346	2.2
193.04929	1.7
193.08720	7.3
195.01193	1.5
196.61227	0.8
215.05605	7.0
221.02766	1.5
273.04388	16.0
274.04758	1.4
313.50519	0.9
321.07706	2.1
339.08591	2.4
351.07162	24.6
352.07483	2.2
353.08749	1.3
355.06470	6.0
367.10034	5.3
369.07043	1.0
381.08102	6.6
441.10229	5.9
485.08939	3.7
511.30063	1.0
513.13995	33.4
514.14520	5.4
547.12396	2.7
617.13733	1.5
635.14435	2.0
677.15265	13.4
678.15417	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	717.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.2
59.01361	4.2
61.98811	3.4
71.01395	4.9
71.04993	1.7
71.52187	1.4
85.02943	1.2
89.02444	1.5
97.02964	2.6
97.06557	2.7
99.00880	12.0
101.02417	3.8
115.97689	1.0
123.08230	1.0
125.09743	4.7
152.99442	1.1
163.11270	5.7
171.10217	1.3
181.12354	8.0
199.13438	8.7
207.10239	18.1
225.11319	30.9
226.11615	2.4
235.08173	2.0
243.12404	4.9
253.09235	1.7
255.23282	71.5
256.23651	5.5
280.59143	1.1
443.19104	1.1
479.20764	1.0
514.33105	1.0
584.07983	1.0
692.68024	1.2
699.43182	4.5
717.44275	100.0
718.44635	24.5
749.91711	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22267	0.8
57.03433	0.8
61.98830	22.0
67.02923	0.7
69.03452	5.8
70.83865	2.4
71.01395	0.9
73.02959	0.9
73.08640	0.8
83.05016	2.8
99.04521	5.7
107.05029	1.0
107.08662	1.9
120.08145	1.0
121.06564	2.1
130.04260	1.2
133.06618	1.1
133.10228	2.2
135.04521	0.9
135.08138	2.5
143.08755	1.0
145.06540	1.0
151.07640	9.9
152.99547	0.9
159.08170	1.2
171.11783	8.1
173.09663	4.5
174.10417	1.2
187.11256	1.7
189.12833	38.4
190.13138	3.4
191.05612	2.0
213.09193	1.1
215.10765	4.8
231.10204	1.6
233.11777	15.8
234.12099	1.3
255.23145	1.2
267.10580	3.6
275.09387	1.0
277.10782	100.0
278.11053	8.5
311.09564	91.5
312.09888	7.0
343.08261	0.9
357.93243	0.9
371.78040	0.9
443.76230	1.1
514.13361	1.0
687.24689	1.9
719.27441	3.1
720.27344	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64703	0.9
54.55791	1.0
58.10387	1.1
59.01378	100.0
60.92678	1.1
61.98537	1.5
61.98829	17.5
63.82296	1.0
70.52605	2.8
70.52964	1.2
78.95898	1.6
85.87736	1.2
89.54580	1.0
117.70372	1.2
152.99565	1.5
182.99030	1.0
209.11790	1.8
216.21730	1.0
277.21875	5.3
278.22076	1.5
311.22452	1.2
452.11044	1.9
453.11365	2.0
457.19022	2.0
467.13577	2.2
480.14529	1.2
481.11633	3.1
495.17508	1.5
496.13812	15.8
497.14285	9.5
498.15268	2.1
510.15500	5.7
511.16101	8.3
512.16644	4.3
513.17688	4.5
538.14484	1.5
539.19293	2.4
544.16083	4.3
545.16486	2.2
553.17639	1.6
567.18903	11.1
568.19135	3.5
570.17297	1.7
571.18433	12.5
572.18622	2.8
583.18005	1.3
597.19946	2.2
598.20642	3.2
599.21503	31.9
600.21747	8.4
602.16217	2.4
625.19678	1.6
630.19720	2.4
631.20337	1.4
657.21991	16.7
658.22382	4.1
717.24152	74.8
718.24390	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	717.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	32.6
61.98830	19.7
71.10137	3.0
71.10448	4.1
71.67873	3.0
78.95912	4.0
89.58332	2.7
115.85207	3.2
120.03262	2.4
171.10196	4.5
172.79837	2.6
191.05548	4.4
197.11581	3.6
215.81982	3.0
257.17792	2.8
283.16962	3.2
327.21674	5.0
344.85843	3.1
368.97488	3.4
481.11310	3.6
496.13788	8.4
497.14584	11.5
511.16248	100.0
512.16553	30.6
555.15118	6.4
556.15405	7.4
570.17615	74.1
571.18079	40.1
572.18896	4.5
625.19464	15.5
626.19818	6.5
657.21991	24.3
658.22064	8.5
717.11426	5.6
717.24042	90.1
718.24451	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	717.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99202	1.3
57.03426	1.3
57.84179	1.1
58.00587	4.5
59.01380	100.0
60.01707	1.2
61.98828	1.5
69.41016	2.0
69.41418	7.1
71.01385	70.2
72.01704	1.6
72.99296	6.6
73.02968	2.9
78.95945	1.6
79.45419	1.1
80.10062	1.6
83.01403	2.3
85.02953	12.4
87.00883	5.3
89.02447	98.7
90.02776	1.4
93.03456	4.1
95.01387	5.5
96.96007	2.9
101.02439	38.0
108.02165	1.6
113.02449	29.6
119.03501	52.2
120.03857	1.5
121.02954	7.1
122.03741	6.9
123.62202	1.2
131.03499	4.2
133.02910	1.3
135.04543	1.6
137.02498	1.4
143.03519	7.1
143.04500	1.6
146.03705	1.6
149.02444	28.7
149.04559	3.8
150.03232	43.4
151.03685	1.9
152.01006	1.1
161.04570	6.5
164.04810	5.0
165.05566	34.1
179.05638	18.0
179.07158	3.1
180.04262	2.3
180.07979	1.3
191.05626	3.8
195.06622	23.2
255.10345	2.8
269.37958	1.1
283.09531	6.4
310.08356	1.7
311.09222	19.9
312.09909	2.4
325.10754	2.4
326.11548	13.7
326.15036	1.5
327.12238	3.4
341.13989	23.0
342.14301	2.0
421.15079	2.6
474.16757	4.2
489.19250	37.0
489.26218	1.3
490.19498	6.8
507.19867	2.2
537.21503	1.7
555.21857	1.8
669.24792	1.5
717.27704	19.7
718.28223	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	716.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31881	1.2
58.02973	9.8
62.34775	1.3
74.02480	23.9
74.32679	1.3
79.95734	5.5
82.03017	3.2
82.41767	1.5
83.01381	1.7
84.69884	1.3
86.02467	9.6
87.05640	4.6
96.96027	2.1
97.04086	2.8
99.04545	7.1
99.05639	19.3
101.07198	3.6
102.05615	3.0
107.06166	2.4
109.04079	3.5
116.01819	1.7
123.05621	2.9
125.03611	2.5
127.05115	4.2
128.03545	50.9
128.33974	1.3
135.05635	5.1
141.06703	4.5
143.04619	72.6
144.04987	1.6
145.06152	3.5
146.04564	7.3
153.06706	5.1
160.00754	14.1
163.03960	8.9
166.09874	3.0
167.04634	3.7
167.08296	3.4
171.04155	1.5
177.03404	5.3
178.06358	10.6
179.04623	19.0
179.06219	1.9
179.06758	1.4
179.51941	1.4
185.05652	1.7
192.07721	1.6
193.08725	7.8
194.08990	1.5
197.05695	2.9
199.39723	1.4
210.08823	16.8
250.24800	1.6
254.07829	27.1
266.68399	1.6
272.08878	43.2
273.04398	18.2
273.09128	4.6
274.04800	2.3
288.06546	11.4
306.07657	100.0
307.08057	7.2
654.23523	2.1
666.23370	5.2
684.24445	17.3
685.23676	2.2
698.26288	6.3
699.26929	2.0
716.26880	21.8
717.27155	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	716.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
59.11649	0.1
61.98830	100.0
71.01466	0.1
101.02511	0.1
103.98532	0.1
194.67192	0.1
203.28120	0.1
206.08607	0.1
399.13934	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31881	1.2
58.02973	9.8
62.34775	1.3
74.02480	23.9
74.32679	1.3
79.95734	5.5
82.03017	3.2
82.41767	1.5
83.01381	1.7
84.69884	1.3
86.02467	9.6
87.05640	4.6
96.96027	2.1
97.04086	2.8
99.04545	7.1
99.05639	19.3
101.07198	3.6
102.05615	3.0
107.06166	2.4
109.04079	3.5
116.01819	1.7
123.05621	2.9
125.03611	2.5
127.05115	4.2
128.03545	50.9
128.33974	1.3
135.05635	5.1
141.06703	4.5
143.04619	72.6
144.04987	1.6
145.06152	3.5
146.04564	7.3
153.06706	5.1
160.00754	14.1
163.03960	8.9
166.09874	3.0
167.04634	3.7
167.08296	3.4
171.04155	1.5
177.03404	5.3
178.06358	10.6
179.04623	19.0
179.06219	1.9
179.06758	1.4
179.51941	1.4
185.05652	1.7
192.07721	1.6
193.08725	7.8
194.08990	1.5
197.05695	2.9
199.39723	1.4
210.08823	16.8
250.24800	1.6
254.07829	27.1
266.68399	1.6
272.08878	43.2
273.04398	18.2
273.09128	4.6
274.04800	2.3
288.06546	11.4
306.07657	100.0
307.08057	7.2
654.23523	2.1
666.23370	5.2
684.24445	17.3
685.23676	2.2
698.26288	6.3
699.26929	2.0
716.26880	21.8
717.27155	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	715.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55287	3.3
56.60901	3.5
63.27069	3.0
69.59009	23.1
79.95730	31.9
88.59837	3.5
89.03594	3.0
90.69608	3.6
94.12489	3.4
135.04529	8.1
146.45027	4.4
163.04007	52.0
178.06354	56.8
179.06674	3.8
193.08681	58.0
195.68774	3.9
222.01750	3.8
233.03531	3.6
262.98624	4.1
272.27908	3.9
273.04388	100.0
274.04779	8.3
422.83627	3.4
595.42188	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	715.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	1.6
59.01380	24.4
71.01383	16.8
71.52605	1.5
72.99320	1.5
83.01395	1.0
85.02958	2.4
87.00850	1.3
89.02444	24.3
93.03468	5.5
95.01407	1.2
95.05010	1.2
96.96032	2.1
101.02448	10.1
103.05571	0.9
108.02170	1.6
109.02947	1.5
113.02418	5.8
119.03510	10.0
121.02959	16.2
122.03762	12.1
123.04558	1.3
124.01654	1.1
131.03491	1.1
133.02946	3.2
134.03770	2.6
135.04523	9.0
136.01669	30.2
137.02478	8.3
143.03482	1.1
147.04507	1.9
149.02451	41.1
149.06035	2.9
150.03232	72.8
151.04013	34.5
152.04422	1.3
154.02763	1.4
159.04559	1.4
160.05330	1.7
161.02441	1.3
161.04616	1.8
161.06046	1.8
162.03230	2.4
163.04008	4.3
164.04826	8.5
164.67987	1.0
165.05565	69.6
166.05902	2.3
172.05272	1.5
175.04028	8.2
177.05531	2.7
179.05656	1.5
180.04300	4.4
187.07628	1.1
189.05539	5.0
190.06400	11.4
191.05592	3.2
191.07141	1.6
195.06630	40.9
196.07013	1.7
205.08676	1.3
252.04268	1.9
256.07352	1.2
267.06662	1.2
271.09796	1.2
281.08160	2.3
284.06915	1.5
285.07559	2.6
299.09106	5.0
303.13834	1.1
309.07727	7.0
310.08350	2.0
323.09198	1.4
324.10187	4.9
325.10641	1.3
327.12317	6.2
339.12399	11.5
340.12735	1.3
342.10815	1.4
343.11826	2.4
353.10306	1.3
357.13431	31.3
358.13644	3.0
379.07388	1.0
460.15204	2.2
475.17844	5.7
476.18063	1.1
487.17746	4.3
488.18280	1.3
490.16125	3.3
505.18680	100.0
506.19089	15.2
546.53284	1.1
553.20776	38.0
554.21106	6.4
682.38275	1.0
715.25873	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	715.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87105	0.4
56.15196	0.4
58.02977	2.8
59.01369	0.8
61.98825	0.5
70.03563	0.3
71.01373	0.5
71.52686	0.6
72.00900	2.2
82.06611	1.1
91.05521	3.6
93.03446	0.7
99.04520	0.6
112.07677	1.4
113.02445	0.6
118.06605	1.1
126.09233	0.6
129.10338	32.5
130.10696	0.8
135.04474	0.4
147.04524	10.8
148.04913	0.5
153.10274	1.7
154.08727	5.5
162.03235	1.2
162.40698	0.3
164.07159	26.6
165.05565	0.5
165.07477	1.1
171.11388	23.2
172.11697	1.0
177.05531	1.1
179.03383	0.5
191.05528	1.0
204.13870	0.4
214.09807	0.4
216.13945	0.7
233.16568	15.9
234.16858	1.2
236.23117	0.4
275.17517	0.9
277.15540	1.1
319.16602	100.0
320.16934	9.1
496.11386	0.8
542.00458	0.4
627.98688	0.4
706.05847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36342	0.4
59.01369	0.6
69.66487	2.9
89.23789	0.4
111.54250	0.5
207.21288	0.5
216.12097	0.5
276.99432	0.5
299.38220	0.5
333.21021	0.5
356.21069	0.5
677.49396	3.4
678.50330	1.4
713.47333	100.0
714.47614	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	714.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
68.78215	1.1
69.14354	3.3
69.14777	10.5
85.17188	1.0
96.68452	1.1
96.95976	1.1
116.44639	1.1
120.84332	1.2
129.98872	1.1
220.54768	1.2
264.53528	1.2
325.67639	1.2
578.21216	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.36
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.03448	4.5
59.01373	3.5
64.26817	0.3
65.03958	1.5
69.03448	0.9
71.01380	0.5
71.05029	0.6
71.52948	0.4
72.74564	0.4
73.02938	0.5
81.03467	0.6
83.05020	5.7
85.02950	1.0
87.00876	5.8
87.08097	0.4
93.03471	0.9
93.27830	0.3
95.01418	0.4
95.05018	1.6
96.96006	0.4
97.02937	0.4
97.06577	0.4
98.03730	0.5
101.06078	0.5
109.06596	0.7
111.04529	2.1
111.08163	1.9
113.06087	0.8
119.08638	1.0
121.02974	0.9
121.05487	0.3
121.05750	0.5
121.06584	3.5
122.03742	8.4
123.08169	13.1
124.05310	1.0
125.09690	0.5
129.07101	0.7
133.06573	0.7
136.07166	0.4
137.06023	0.4
137.09685	1.2
138.06848	0.7
139.07637	2.1
143.08633	0.5
145.10243	1.8
149.06059	1.3
151.07594	2.4
153.09229	2.1
156.09467	0.4
161.09737	0.4
165.01877	0.6
165.09283	0.5
169.08659	1.0
169.10197	2.0
171.11789	16.0
172.12158	0.9
185.09647	0.6
189.12846	5.6
191.05608	1.2
191.10680	1.2
201.12820	5.6
202.13164	0.7
207.13922	2.6
209.04562	0.8
219.13963	2.0
237.14960	18.5
238.15305	1.4
249.14908	0.5
263.12897	0.5
265.14383	0.8
266.15228	1.9
267.16000	25.7
268.16342	2.2
281.13931	100.0
282.08353	0.4
282.14282	7.6
429.21280	6.1
430.21686	1.0
444.18652	0.4
509.30200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61685	1.5
54.26887	1.6
59.01378	21.4
61.98826	4.5
71.01393	4.4
71.52158	2.4
74.37119	1.4
78.95900	3.5
83.63589	1.4
83.72790	1.4
89.02477	2.9
101.02438	2.2
111.08134	1.6
113.09710	2.0
139.07623	2.7
143.88956	2.0
152.99623	2.7
153.68542	1.8
157.08698	75.7
158.09006	4.1
166.39958	1.7
169.44865	1.7
171.10245	4.9
235.08279	4.0
253.06779	1.7
253.09242	8.7
277.21716	100.0
278.22018	10.6
513.18237	1.7
513.30554	2.6
535.41022	1.8
671.71075	1.6
713.40356	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	709.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82811	0.5
59.01360	0.8
61.98837	3.9
63.96247	1.6
64.52637	0.5
67.19810	0.4
70.18277	1.8
71.01378	7.2
73.02946	1.6
73.47495	0.5
78.98589	6.8
79.95734	11.7
80.96515	72.0
85.02937	2.8
87.00867	2.7
94.98087	15.4
96.96002	1.1
97.02946	2.3
98.20573	0.9
101.02465	1.7
106.98093	3.3
122.97588	3.3
125.02448	3.4
127.04008	0.6
134.97581	4.9
136.99139	1.1
143.67021	0.5
146.97572	0.7
148.99139	5.2
152.98636	5.6
164.98627	10.8
171.10268	2.0
174.46227	0.5
188.98630	0.6
206.99677	2.0
225.00720	15.8
234.73624	0.5
246.75359	0.5
255.23315	1.9
279.23297	1.5
453.14133	3.0
537.27002	0.7
568.83997	0.6
709.38342	100.0
710.38641	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	707.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04276	1.3
59.01377	4.3
61.98827	4.7
71.01382	3.7
73.02932	3.2
78.95903	70.0
81.03425	1.5
83.04997	1.6
87.70839	1.4
94.87838	1.3
95.05028	2.0
96.96954	6.1
97.02960	2.4
109.06599	11.9
110.03737	2.3
123.55527	1.3
125.09728	1.9
127.11226	2.2
128.75700	1.4
135.08186	2.0
152.99585	100.0
155.10757	3.4
163.11259	10.9
171.00658	10.4
171.10255	17.5
175.16371	1.5
179.10657	2.3
181.12315	5.5
189.09166	2.0
197.11827	3.9
199.09743	14.7
199.13272	2.3
207.10245	27.8
208.10623	2.8
211.13364	1.4
215.12886	3.0
225.11311	40.2
226.11606	1.9
227.03152	6.8
234.78612	1.5
241.10759	2.7
243.12366	7.6
253.21753	16.4
255.23248	7.4
277.21744	5.4
279.23331	2.8
301.21634	3.6
361.10471	2.8
379.11539	5.2
409.12863	2.1
435.14236	5.1
453.15274	52.2
454.15503	4.7
471.16364	55.2
472.16592	5.1
483.27484	3.2
625.42548	2.5
689.36713	35.5
689.48425	2.8
690.36957	7.6
707.37659	80.8
708.37842	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	709.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64896	0.6
55.40796	0.6
57.03452	0.7
59.01382	2.0
67.01891	2.0
67.39087	0.7
71.01389	2.2
71.53166	0.9
78.42937	0.7
85.02945	12.8
87.00867	4.1
93.03458	13.3
93.04025	1.0
95.05049	1.2
96.96001	1.2
101.02462	1.0
105.03464	4.4
107.05050	1.0
109.02953	2.8
111.04539	3.2
123.04491	0.9
125.31088	0.7
127.04028	4.0
132.02184	1.9
133.02956	31.7
134.03426	0.7
135.04517	15.6
137.02408	1.6
139.04012	1.1
149.02492	1.2
150.03242	2.2
151.03963	1.2
160.01648	1.8
161.02463	6.9
162.03203	4.1
163.03983	1.0
165.05582	1.1
171.02988	1.1
173.04515	6.0
177.01913	11.6
177.05547	0.9
178.02739	3.4
179.03505	9.0
180.04247	8.0
191.05611	100.0
192.05940	3.9
193.05072	2.8
193.15388	0.8
195.06619	11.5
196.06953	1.1
208.12665	0.8
215.05583	5.0
306.68137	0.7
307.08176	1.0
322.06900	1.0
323.07690	2.6
351.07196	19.5
352.07382	1.7
353.08737	1.1
355.10651	0.9
357.11832	1.8
472.69717	0.7
487.12170	2.0
491.15479	0.8
499.12427	3.5
517.13470	14.0
518.13647	2.5
529.13873	1.3
535.14154	0.9
547.14526	5.0
569.85498	0.8
576.07050	0.8
677.68622	0.8
709.19678	27.9
710.20068	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	707.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68693	0.8
59.01380	5.1
69.77016	4.6
71.01394	2.6
79.95747	3.9
81.64750	0.8
85.02957	2.4
89.02391	1.4
93.03459	1.2
96.96017	14.4
98.20566	1.0
99.00848	1.2
113.02441	1.1
116.92875	1.4
119.05019	2.6
132.05809	24.7
133.06149	2.0
135.04547	1.3
164.03491	1.9
164.04790	21.7
173.04477	2.2
176.04738	1.3
187.11282	70.6
188.11642	4.4
191.05600	6.5
201.11221	1.9
209.11795	1.5
225.11328	2.5
231.10257	100.0
232.10594	6.9
243.12384	1.2
267.06897	1.1
311.05945	80.0
312.06259	6.8
531.28101	1.3
532.28064	1.2
630.32843	1.1
689.33685	3.6
707.35175	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	2.2
59.01374	2.2
69.03458	1.1
71.01357	3.5
71.28088	2.4
73.02940	4.8
75.14211	0.9
75.30490	1.0
78.95905	62.6
79.96227	0.9
80.69329	1.0
81.88608	1.1
83.05028	1.6
95.05035	1.6
96.96981	5.8
97.02929	1.8
99.00888	1.9
108.34845	1.1
109.06593	5.9
120.26009	0.9
125.09690	1.6
127.11298	2.0
151.11351	2.5
152.99585	84.4
153.99919	2.0
155.10770	1.7
155.67075	1.0
163.11247	6.0
166.49648	0.9
167.10669	2.4
169.01385	1.0
171.00641	10.7
171.10266	11.6
179.10754	2.4
181.12346	6.9
185.11839	2.0
189.09161	1.4
197.11787	2.8
199.09763	5.9
199.13351	4.0
207.10274	16.4
215.12820	3.1
225.11316	40.8
226.11566	2.5
227.03273	5.1
243.12379	12.2
244.93480	1.2
245.04291	2.3
253.21695	13.2
255.23228	1.9
277.21744	2.6
361.10580	1.9
379.11588	7.0
428.08942	1.1
435.14270	2.2
453.15280	27.5
454.15521	4.0
460.50757	1.3
471.16357	76.0
472.16550	8.8
652.54999	1.3
689.36823	9.2
690.36945	2.1
707.37683	100.0
708.38123	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	706.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
57.03448	0.8
58.00577	1.5
59.01381	68.9
59.91405	0.7
61.98821	0.9
63.75736	0.6
69.03458	1.3
70.16462	1.6
70.16859	1.9
71.01017	1.2
71.01382	19.2
72.99292	1.5
73.02949	5.5
83.01359	2.2
83.05017	1.0
85.02945	7.4
87.00870	1.8
89.01941	1.3
89.02444	18.3
93.03439	1.5
95.01379	1.7
96.96015	1.4
99.00861	2.0
101.01811	0.9
101.02447	16.7
113.02450	8.6
115.07640	1.1
118.42078	0.8
119.03519	7.1
119.04955	0.8
123.08138	2.6
124.08453	1.2
125.24023	0.7
127.11161	0.7
131.03441	1.0
133.02922	0.8
135.04491	1.1
137.09776	1.6
149.04539	3.4
155.10764	7.1
156.10208	1.0
157.08780	4.2
157.09792	0.8
158.11848	1.3
161.04567	1.6
167.07104	1.2
173.04565	1.1
180.10213	1.5
181.08528	0.7
191.05638	5.2
198.14941	1.3
200.12947	8.5
209.18959	1.3
225.11374	0.8
337.36304	0.8
362.18353	2.5
556.31146	1.8
574.32288	100.0
575.32635	17.6
658.35498	0.9
662.32715	1.4
706.36523	36.4
707.36871	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	707.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.2
59.01364	1.3
61.98840	0.2
62.29092	0.2
67.01866	0.2
69.03456	0.2
69.91735	0.2
70.48518	0.5
71.01379	1.1
73.02903	0.2
85.02945	6.0
85.03470	0.4
86.47322	0.2
87.00877	1.6
90.83884	0.2
93.03459	2.3
96.96009	0.5
99.04452	0.2
101.02466	0.3
109.02914	0.4
111.04511	0.9
113.02484	0.2
113.61642	0.2
120.99675	0.5
127.04029	1.4
133.02951	0.7
135.04520	1.5
161.02452	1.7
171.02977	0.4
173.04482	1.2
179.03441	1.2
191.05602	100.0
192.05945	3.5
214.75629	0.2
251.99292	0.2
305.12427	0.9
353.08731	13.2
354.08890	1.3
434.32156	0.2
624.24634	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93741	0.3
59.01371	0.9
61.98826	1.8
66.79723	0.3
71.01366	0.5
78.95903	12.5
79.95752	0.4
110.98534	7.4
111.19788	0.3
122.97575	0.6
152.99606	1.9
159.99301	0.3
167.01122	2.3
185.02219	0.4
255.23334	0.9
277.21707	100.0
277.96527	0.3
278.22028	9.0
311.16818	0.6
396.54068	0.3
427.22385	0.8
445.23599	5.1
446.24353	0.5
469.14642	0.8
705.45996	5.1
706.45111	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	706.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	1.3
59.01377	62.9
61.98814	1.1
63.28172	1.0
69.03452	3.0
69.19020	11.7
70.66164	1.3
71.01376	21.8
72.99313	2.2
73.02959	5.7
78.76879	1.1
80.01118	1.0
80.96507	1.3
83.01379	2.5
83.05011	2.2
85.02938	9.3
87.00871	3.6
89.02439	16.6
93.03458	4.4
95.01390	1.6
96.96004	3.6
98.19954	3.1
99.00872	1.4
99.04564	1.5
101.02438	18.0
105.12691	1.1
111.04514	1.3
113.02452	9.9
119.03489	5.1
122.06096	1.5
131.03421	1.8
133.02939	2.2
135.04509	3.0
137.09680	1.5
149.04526	2.1
155.10756	9.6
157.08688	4.0
161.04578	2.4
173.04514	3.2
179.05742	2.1
187.04054	1.3
191.05597	16.3
198.14993	1.3
200.12941	10.2
209.19086	1.2
213.09215	1.3
225.11360	1.4
231.10173	1.9
257.08234	2.1
258.01273	1.1
275.09274	2.7
329.11029	1.3
331.19049	1.6
358.88760	1.4
362.18158	2.0
404.19324	1.6
449.14569	2.3
474.56509	1.1
556.31390	1.3
574.32281	100.0
575.32648	15.7
647.35968	2.5
706.24194	2.7
706.36548	42.5
707.16101	3.0
707.37024	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	706.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	1.3
59.01377	62.9
61.98814	1.1
63.28172	1.0
69.03452	3.0
69.19020	11.7
70.66164	1.3
71.01376	21.8
72.99313	2.2
73.02959	5.7
78.76879	1.1
80.01118	1.0
80.96507	1.3
83.01379	2.5
83.05011	2.2
85.02938	9.3
87.00871	3.6
89.02439	16.6
93.03458	4.4
95.01390	1.6
96.96004	3.6
98.19954	3.1
99.00872	1.4
99.04564	1.5
101.02438	18.0
105.12691	1.1
111.04514	1.3
113.02452	9.9
119.03489	5.1
122.06096	1.5
131.03421	1.8
133.02939	2.2
135.04509	3.0
137.09680	1.5
149.04526	2.1
155.10756	9.6
157.08688	4.0
161.04578	2.4
173.04514	3.2
179.05742	2.1
187.04054	1.3
191.05597	16.3
198.14993	1.3
200.12941	10.2
209.19086	1.2
213.09215	1.3
225.11360	1.4
231.10173	1.9
257.08234	2.1
258.01273	1.1
275.09274	2.7
329.11029	1.3
331.19049	1.6
358.88760	1.4
362.18158	2.0
404.19324	1.6
449.14569	2.3
474.56509	1.1
556.31390	1.3
574.32281	100.0
575.32648	15.7
647.35968	2.5
706.24194	2.7
706.36548	42.5
707.16101	3.0
707.37024	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	705.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01491	1.2
58.95684	1.2
59.01371	1.5
71.01353	1.4
79.95282	2.2
79.95737	26.2
84.92032	1.2
92.81139	1.3
96.68329	1.4
96.96019	5.2
98.19875	3.4
113.02446	1.5
135.04520	4.6
136.10959	1.2
163.04004	43.2
164.04323	2.3
178.06346	51.0
179.06717	2.3
179.95496	1.2
191.05577	1.9
193.08690	46.5
194.09026	2.1
273.04376	100.0
273.57822	1.4
274.04764	7.1
312.12366	1.3
349.06711	1.4
368.82962	1.3
399.68433	1.2
450.88376	1.2
724.20166	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.5
59.01379	2.1
60.58756	1.9
61.98814	6.8
65.28201	1.7
71.05010	1.7
71.53075	2.8
78.95903	99.6
96.96956	7.2
110.98497	5.6
152.99583	100.0
153.12891	2.6
161.09709	2.0
171.00659	13.1
179.10738	4.6
197.11821	63.0
198.12099	4.3
200.19000	1.8
209.11659	1.8
227.03220	3.4
241.10794	34.0
242.10873	1.8
277.21698	68.7
278.21979	6.7
347.25903	1.8
377.09988	8.0
445.23511	2.5
451.13745	12.7
469.14783	40.0
470.14828	3.1
521.66882	1.9
705.36017	87.5
706.36493	16.6
711.45215	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	702.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34023	0.2
58.40779	0.3
59.01381	0.4
61.10030	0.3
61.98829	100.0
62.41143	0.2
71.01379	0.4
71.53671	0.5
78.95920	0.3
80.96520	0.4
83.21078	0.3
93.03465	0.5
96.96004	0.3
99.04543	0.5
136.10944	0.2
136.90594	0.3
168.71747	0.3
191.05649	0.9
201.61151	0.3
214.90250	0.2
219.86456	0.3
230.33379	0.3
282.53513	0.3
291.06186	0.3
355.57428	0.3
355.79715	0.2
404.22299	0.3
472.19397	0.3
703.29315	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.1
61.62864	0.1
61.98829	100.0
62.98520	0.2
71.51860	0.1
78.95934	0.1
99.04532	0.1
101.71162	0.1
126.25457	0.1
205.54254	0.1
209.11768	0.1
245.08182	0.1
249.60985	0.1
285.89630	0.1
297.23767	0.1
321.41013	0.1
391.61758	0.1
457.26172	0.3
606.61292	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	704.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18257	0.2
59.01377	0.2
61.98829	100.0
62.98537	0.3
63.79642	0.2
63.99264	0.3
64.48092	0.2
70.48342	0.6
85.67320	0.2
96.96060	0.2
118.96008	0.2
122.21197	0.2
134.05513	0.2
144.53107	0.2
152.66983	0.2
156.09843	0.2
191.05666	0.3
197.68329	0.2
434.63770	0.2
500.54550	0.2
518.58624	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95658	1.1
53.03823	1.1
59.01372	3.7
69.55972	6.3
71.01387	1.6
79.95742	3.3
85.02931	1.2
89.02447	1.8
96.95996	16.0
101.02429	1.1
132.05811	25.0
164.04779	21.9
166.21140	0.9
181.12376	1.4
187.11278	76.4
188.11565	5.5
191.05626	3.0
205.93741	1.0
231.10242	100.0
232.10612	6.9
267.06818	1.9
302.65073	0.9
311.05942	84.7
311.09296	3.7
312.06271	7.1
327.12497	1.2
568.62616	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
59.01379	2.5
63.18869	0.4
69.03457	0.9
71.01382	2.1
71.52490	0.9
73.02943	2.4
78.21271	0.5
79.05521	1.3
83.01402	0.6
83.05043	0.9
85.02964	1.5
87.04525	1.4
95.05035	0.6
96.96016	1.4
97.02946	6.5
97.06636	0.7
99.04502	1.0
101.02453	1.1
103.91127	0.5
105.07076	0.5
110.01260	0.5
113.02435	2.6
120.05753	0.5
121.02943	2.4
122.03754	1.6
123.00861	0.9
123.04529	3.5
123.24730	0.5
124.01589	0.6
125.02447	2.1
131.08652	0.5
133.06589	1.1
133.10266	1.0
134.75381	0.5
135.08173	5.5
136.05252	0.7
137.02422	0.9
137.06070	0.9
139.95338	0.5
143.33400	0.5
147.04521	3.6
147.08110	0.7
149.02472	1.2
150.03212	4.6
153.09198	15.2
157.10272	0.8
158.03702	2.5
159.04526	9.2
159.08121	1.3
160.05292	25.9
161.06067	11.5
163.03984	4.5
163.07663	0.5
164.04758	4.1
165.05550	1.7
173.06061	2.6
174.06908	0.7
175.04047	0.7
175.07635	23.0
175.11076	1.2
176.04799	0.7
176.08015	1.5
177.05562	4.3
177.09163	3.3
178.06346	7.2
179.07091	2.6
188.04800	0.6
188.26569	0.5
189.09172	1.2
191.05568	0.8
192.07938	1.4
193.08670	4.6
197.08195	4.8
201.09175	1.9
203.07155	5.3
219.10242	2.8
221.08191	6.1
239.09047	1.0
263.09229	8.1
281.10297	1.2
315.12405	2.9
323.11392	0.6
329.13919	100.0
330.14270	12.2
341.12354	7.8
345.13281	2.3
359.14893	4.7
380.49780	0.6
399.34830	0.6
701.28101	18.2
702.28503	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	701.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	9.2
59.01367	5.2
61.98830	23.3
67.01879	5.8
69.03455	3.0
69.29530	8.7
69.29958	10.8
77.34193	2.0
78.95856	2.3
81.03468	4.6
91.53210	2.4
93.03459	2.3
97.02924	3.1
99.04520	100.0
100.04879	2.6
106.71579	2.3
113.97639	2.2
131.05099	3.0
133.06599	3.7
135.04517	3.2
143.05005	9.8
143.08652	3.7
144.05820	5.7
145.06577	3.3
147.04521	2.9
149.97581	2.4
156.05801	5.2
157.06561	8.3
159.04518	4.6
159.08139	29.2
161.06018	4.2
163.07587	3.5
170.07234	2.9
171.04509	4.1
171.08168	18.2
171.10228	9.5
172.05254	2.7
172.10617	4.1
173.06023	3.8
175.07620	6.3
177.05531	7.3
183.08121	9.7
185.06007	6.9
185.09778	3.5
186.06850	5.7
187.03964	3.2
187.07622	6.3
189.09227	2.7
191.05554	3.9
195.08075	4.8
197.06073	4.3
198.06818	8.0
201.05556	5.3
201.09232	31.2
203.07056	4.8
209.11705	2.9
213.09230	25.5
214.78027	2.2
215.07138	12.5
229.08716	5.5
231.10236	35.3
232.10468	3.4
239.07130	4.2
245.08171	86.9
246.08525	8.2
257.08179	45.8
258.08435	3.0
265.14349	5.2
275.09256	77.0
276.09583	6.9
295.22330	2.5
311.21722	2.7
404.82397	2.5
465.69043	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	701.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
59.01381	2.9
61.98862	0.5
66.00880	0.7
69.03461	0.8
69.29893	5.2
71.01383	2.2
73.02936	2.9
75.20638	0.5
79.05539	1.9
83.01384	0.8
83.05040	1.2
85.02969	2.6
87.04536	1.5
93.03531	0.5
96.96043	0.9
97.02948	6.2
98.20667	1.2
99.04548	0.9
101.02444	2.1
107.05009	0.6
109.02966	0.7
109.06548	0.7
111.54769	0.6
113.02448	2.5
118.50231	0.6
119.05070	0.6
121.02981	4.3
121.06612	0.8
122.03761	2.0
123.00902	1.0
123.04526	4.1
124.01696	0.9
125.02472	1.7
131.08669	0.7
133.06596	0.8
133.10243	0.8
135.08168	4.1
136.05334	1.3
137.02405	0.9
137.06042	0.9
139.03955	0.5
143.05058	1.0
144.05785	0.5
147.04529	3.3
147.08186	1.1
149.02452	1.9
149.06062	0.7
149.09756	1.2
150.03224	4.7
153.09210	15.5
154.09564	1.3
157.10234	1.3
158.03729	2.8
159.04520	8.5
159.08173	1.9
160.05296	27.5
161.06082	14.1
162.06467	0.6
163.03998	4.8
164.04768	4.0
165.05551	1.1
173.06091	3.1
175.07631	24.2
175.11165	1.1
176.08099	1.1
177.05568	6.2
177.09152	3.1
178.06367	6.4
179.07130	2.0
189.09172	1.5
191.05510	1.2
192.07988	1.4
192.91873	0.5
193.08672	5.9
197.08195	4.5
201.09262	2.2
203.07166	5.4
219.10301	3.0
221.08162	6.0
239.09267	1.7
263.09219	7.3
264.09641	1.0
280.60672	0.5
281.10339	0.9
314.11655	0.8
315.12512	2.9
329.13934	100.0
330.14233	10.1
341.12390	8.4
342.12979	0.8
345.13336	2.4
346.13315	0.6
359.15091	4.8
360.15454	0.9
701.28082	19.1
702.28595	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	699.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21954	0.9
57.03437	2.3
59.01382	7.0
61.98827	8.1
71.01389	5.0
71.52196	1.2
72.99305	1.3
73.02940	1.2
76.33286	0.9
78.95857	0.9
85.02950	1.8
87.00867	1.7
89.02445	4.7
92.90472	0.9
95.05034	1.4
97.06582	5.2
101.02404	3.6
111.08157	4.0
113.02458	2.2
123.08156	3.1
125.09721	37.7
126.10007	1.0
127.11281	1.4
140.11118	0.9
161.04558	1.4
161.65179	0.9
165.14055	1.0
169.08646	0.9
169.12302	2.0
171.10265	100.0
172.10617	2.8
187.09752	24.4
191.05591	2.6
195.13942	1.3
197.11830	21.2
198.12186	1.2
199.13368	1.4
211.13396	3.3
235.08205	4.8
253.09273	10.7
263.20151	1.3
275.20172	1.4
291.19620	12.4
293.21259	4.4
309.20694	30.4
310.21127	2.8
342.46243	0.9
405.17978	2.2
407.19223	2.7
414.88452	1.0
423.18542	4.9
630.56219	0.9
699.39636	39.9
700.39954	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	701.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98836	7.8
68.89158	1.3
70.37933	3.1
71.17982	1.5
78.95916	5.0
82.11829	1.6
98.20544	2.3
128.01872	1.5
152.99564	2.9
183.40602	1.7
191.05646	1.7
277.21799	4.4
355.98611	1.7
419.15735	1.8
438.13184	3.6
481.15030	33.4
482.15503	6.9
495.16751	11.1
496.17123	2.9
497.18161	8.3
514.15002	2.9
539.16064	2.4
540.16278	8.3
554.17926	3.2
555.18781	65.2
556.19080	17.1
572.15552	14.8
573.15210	3.6
586.16852	6.6
641.22510	31.9
642.22888	7.7
701.24725	70.6
702.24969	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	699.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
57.47232	0.4
59.01377	3.6
61.98830	6.4
69.03454	0.6
71.01378	3.0
71.53275	0.3
71.53715	0.4
73.02964	1.3
76.36140	0.4
79.74439	0.4
83.01386	0.6
85.02964	1.1
87.00894	0.6
89.02425	2.5
95.24780	0.6
96.79910	0.4
97.02953	1.4
97.06590	1.2
101.02462	2.7
111.08167	3.0
113.02449	2.0
119.03485	0.9
123.08186	0.8
125.09728	6.6
127.11278	1.5
137.09714	0.7
143.03557	0.4
153.09187	0.8
161.04568	1.0
163.11275	0.6
165.12852	0.8
169.12376	1.2
171.10263	100.0
172.10602	5.0
181.12334	0.8
185.11870	0.5
187.09775	3.9
195.13860	0.6
197.11823	13.7
198.12117	0.9
199.13333	1.0
209.11815	0.8
209.15442	0.9
211.13387	1.9
212.34776	0.4
225.14952	0.8
227.12886	0.9
233.15431	0.6
235.08237	3.7
247.20615	0.7
251.16585	1.2
253.09261	11.8
263.20218	1.2
273.18625	0.9
291.19632	15.9
292.19919	1.2
293.21268	0.6
309.20694	32.2
310.21127	2.7
349.65210	0.4
354.25424	0.4
407.19229	1.6
423.18646	1.2
463.30957	0.6
525.53418	0.5
527.28937	0.6
699.39478	6.0
700.39972	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	698.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.58031	1.1
70.58363	0.5
76.46649	0.4
78.95915	0.7
80.96513	0.5
84.39529	0.4
95.35783	0.4
97.66335	0.4
98.20479	0.4
105.64928	0.4
125.59250	0.4
129.89993	0.5
133.20720	0.5
143.36841	0.4
152.99628	0.5
175.76500	0.4
218.15431	0.5
255.23232	0.9
279.22980	0.4
388.65402	0.5
698.39386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30759	0.8
55.01873	1.1
57.03442	1.0
58.00592	1.8
59.01378	38.8
69.43619	7.0
69.89974	0.8
71.01379	38.0
72.95518	0.9
72.99290	1.3
73.02944	3.8
75.92673	0.9
83.01400	1.9
85.02953	10.0
87.00884	2.5
89.02444	34.1
93.03447	1.9
95.01390	3.0
96.96005	2.3
99.00872	2.4
101.02441	18.0
113.02449	15.1
115.00380	1.0
119.03506	13.4
120.62447	1.0
120.99718	0.9
121.02954	3.6
122.03745	7.0
125.02464	1.1
131.03494	2.4
134.03712	0.9
143.03479	3.7
146.03777	1.7
147.04573	1.1
149.02438	34.6
149.04443	1.5
149.84422	0.8
150.03226	49.1
151.03596	2.1
159.03008	1.0
161.04578	7.8
162.03188	3.3
163.04031	1.0
164.04791	12.9
165.05565	48.2
166.05891	2.9
177.05566	3.2
179.05630	20.3
179.07129	3.2
180.04300	2.6
191.05632	1.2
195.06622	20.4
250.58043	0.8
283.09842	2.1
312.09998	11.0
327.12357	63.2
328.12720	5.3
339.12646	1.2
375.14490	3.5
400.45581	1.1
408.38519	1.1
487.98291	1.1
489.17609	13.3
490.17633	1.3
534.17090	1.0
537.19763	100.0
538.20154	14.9
542.50952	1.1
707.16412	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01707	1.8
61.98833	11.0
65.71438	0.7
70.47343	2.2
71.23824	0.8
77.45300	0.6
77.79082	0.7
78.95910	0.8
85.82274	0.7
92.61546	0.7
220.83592	0.7
235.23720	0.7
238.23976	0.7
272.85117	0.8
277.21741	0.8
289.05765	0.7
325.21854	1.0
391.26596	1.8
409.27615	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	695.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62340	1.6
59.01379	100.0
61.98820	3.7
64.34110	1.9
69.47095	1.7
71.51556	1.6
71.52026	2.2
78.95904	19.1
80.96493	2.4
87.91557	1.7
95.05546	1.8
141.04517	1.7
152.99576	6.2
165.57166	1.7
185.11848	5.9
208.60132	1.8
240.49577	2.0
247.26514	1.7
255.23247	2.1
353.73044	1.7
441.15677	3.9
455.27170	1.8
677.36584	2.5
695.30548	42.3
696.30945	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	697.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34598	0.4
59.01379	100.0
60.01707	0.8
61.98824	5.2
62.69627	0.5
65.12749	0.4
71.01382	1.3
71.53135	0.9
77.20921	0.4
81.48076	0.4
85.02975	0.5
87.98898	0.4
89.02453	0.8
93.03448	0.4
93.06086	0.5
97.02966	0.7
97.45618	0.4
101.02468	1.0
112.71696	0.5
121.02965	1.8
123.04530	0.5
125.02460	1.2
169.01462	1.1
171.10307	2.1
171.87311	0.4
182.33913	0.4
191.03445	0.8
191.05676	1.1
209.04619	1.1
281.12329	0.8
289.18207	1.9
303.19418	2.3
317.21161	5.0
318.21796	0.6
469.05380	1.9
469.55368	1.1
569.35712	0.5
593.13953	0.8
653.32123	1.9
697.34534	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40662	1.0
59.01363	4.7
60.99295	2.1
67.01890	9.0
67.60691	1.0
69.03441	3.0
69.32426	3.5
69.32841	4.8
71.01369	4.9
74.17243	1.1
81.03448	1.6
83.05024	2.1
85.02950	9.8
87.00877	12.1
93.03458	62.7
93.15454	1.0
94.03795	2.0
98.19919	1.6
99.04534	1.6
99.93262	1.0
105.03477	2.5
107.04992	1.2
109.02959	3.9
111.00888	1.1
111.04499	9.2
113.02450	2.8
123.04546	1.4
124.86125	1.0
127.04029	2.9
129.01952	1.7
132.02176	6.8
133.02954	18.8
134.03609	1.1
135.04547	13.0
137.02451	2.0
140.07210	1.4
143.03487	1.4
146.03633	1.4
155.03383	2.1
160.01669	15.6
161.02464	5.9
162.03201	1.4
164.04778	2.6
173.04549	38.6
174.04836	1.8
175.04024	1.2
177.01952	5.4
177.05571	2.6
178.02568	2.4
179.03511	7.4
191.05609	100.0
192.05986	4.5
193.05147	5.7
203.03484	1.1
215.05594	7.3
220.03767	2.1
221.63126	1.2
278.06082	1.2
295.10916	1.1
321.07602	2.8
339.08722	8.6
340.09076	2.0
351.07162	18.1
367.10211	5.3
369.72876	1.3
381.09848	5.3
382.10410	1.4
419.93347	1.4
430.06766	1.1
501.14038	16.1
502.14523	2.5
513.13965	24.4
514.14142	3.9
601.22638	1.3
643.24152	2.0
661.24988	1.6
693.20349	43.6
694.20551	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	691.355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
58.00599	1.3
59.01379	39.0
60.01695	0.8
61.98830	8.3
67.01888	1.1
69.03444	2.8
71.01380	30.7
71.05014	2.4
71.52731	1.0
72.99306	2.2
73.02939	5.8
75.00881	1.1
81.03438	1.5
83.01401	3.8
83.05014	1.6
85.02953	8.2
87.00858	8.0
89.02445	26.8
93.03457	5.2
95.01394	1.5
96.96011	2.0
97.02965	4.2
99.04565	1.3
101.02439	20.8
101.03104	1.2
101.13899	0.8
109.02917	1.0
110.97143	0.7
111.04508	1.4
113.01707	1.3
113.02447	10.4
118.01811	0.7
119.03492	8.6
121.02988	0.8
125.02428	8.7
131.03508	1.7
139.03992	1.1
141.01985	1.0
143.03476	4.8
151.12172	0.7
156.70329	0.8
157.08740	0.9
161.04536	4.3
167.03436	0.8
171.11769	1.0
173.04536	2.5
179.05586	5.6
189.12865	2.7
191.05588	9.9
209.15453	1.2
215.07190	0.9
217.07352	0.9
221.06654	2.0
231.21156	1.5
233.11827	1.1
235.08231	11.4
235.17001	38.7
236.17323	3.2
253.09213	3.6
263.07730	1.4
275.20135	45.5
276.20370	3.3
277.10922	5.9
278.11160	2.2
279.11343	1.5
287.07785	1.8
293.21219	100.0
294.21481	8.5
305.08719	3.2
311.09622	1.9
312.09802	1.1
313.09406	2.3
323.09818	1.7
343.17612	0.9
370.27060	0.9
379.12372	1.0
397.13483	67.4
398.13879	6.2
415.14548	45.4
415.18973	0.8
416.14899	3.7
526.80255	0.9
673.34528	1.3
691.29443	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
57.03428	0.7
58.00580	0.5
59.01381	15.8
61.98834	2.5
65.12392	0.3
66.50716	0.3
67.01868	0.4
69.03435	1.0
70.27627	0.7
70.27993	0.6
71.01381	12.3
72.99314	0.7
73.02950	2.1
81.03469	0.8
83.01382	1.3
85.02956	2.9
87.00884	2.5
89.02447	12.0
93.03458	1.3
95.01357	0.7
97.02952	1.6
99.00880	0.5
99.04574	0.3
101.02443	10.7
106.99022	0.3
113.02463	5.0
113.09679	0.3
113.93890	0.3
115.03951	0.4
119.03497	3.1
122.31152	0.4
125.02444	3.1
131.03458	0.7
141.01891	0.4
143.03520	1.8
143.04491	0.3
147.43080	0.3
161.04608	2.1
179.05644	3.1
179.14404	0.9
185.04556	0.3
191.05629	1.8
195.13916	8.2
196.14441	0.6
205.12373	0.4
221.06651	0.6
223.13417	5.4
224.13844	0.5
228.13698	0.8
235.08221	3.5
253.09210	1.9
256.13132	0.9
263.07788	0.4
275.20102	3.9
276.20416	0.4
287.07819	0.6
293.21225	100.0
294.18204	0.5
294.21555	8.7
305.08835	1.2
323.09818	0.5
329.13705	0.4
397.13501	22.2
398.13797	2.0
415.14572	23.6
416.14966	2.1
654.27313	0.8
691.30365	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71820	1.2
61.98832	6.7
69.95904	6.4
78.95898	44.4
81.03475	2.3
83.05010	6.3
84.15403	1.2
88.98803	6.4
96.96950	4.8
98.20633	2.1
123.38480	1.3
125.06038	1.5
152.99580	64.3
163.11234	6.7
165.12755	2.4
171.00604	5.2
191.10751	1.9
199.13335	4.1
209.11809	84.5
210.12195	8.1
227.03226	3.2
227.12881	27.2
228.13197	1.8
242.21194	1.3
245.04520	1.3
253.21730	22.4
254.21901	1.5
273.71558	1.4
277.21671	2.2
301.21719	3.1
344.96988	1.2
363.11990	6.6
430.58670	1.5
437.15942	6.5
454.15256	1.3
455.16809	100.0
456.17334	8.1
691.38226	66.2
692.38434	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	691.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67102	1.1
70.94351	2.1
74.39433	1.0
78.95902	38.9
80.02694	2.6
80.82890	1.0
81.03465	1.0
83.05037	7.8
83.74901	1.0
84.02122	1.5
95.05018	1.3
96.96966	3.6
108.14670	1.0
124.30626	1.1
147.85905	1.1
152.99582	57.5
163.11304	8.0
165.12839	3.1
171.00616	5.8
181.12369	1.5
191.10832	2.0
209.11821	100.0
210.12146	6.5
227.03209	4.3
227.12874	10.0
241.06551	1.3
242.34169	1.4
245.04155	1.3
253.21725	22.0
254.22090	1.5
264.15894	1.2
363.12036	7.5
437.15729	5.3
455.16840	85.6
456.17172	10.1
481.25092	1.2
612.52094	1.0
691.38257	68.4
692.38568	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	691.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11636	1.7
71.52122	1.3
71.52515	2.1
79.95731	24.7
95.70149	1.5
96.95995	2.4
109.37231	1.6
120.99646	3.4
126.60847	1.5
135.04509	5.0
163.04002	41.3
164.04320	2.0
178.06345	52.6
179.06686	2.1
191.05602	7.8
193.08688	46.4
194.09106	1.7
203.95657	1.5
214.44926	1.4
273.04367	100.0
274.04736	6.8
275.03906	1.6
572.42590	1.6
654.07617	1.6
717.08875	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77565	0.4
59.01380	2.8
68.43655	0.4
69.19034	4.3
83.05033	0.5
93.03481	0.5
94.02995	2.3
96.96006	0.6
98.20737	0.6
108.04543	2.3
120.04536	1.1
121.47656	0.4
122.06116	10.5
124.04035	1.4
129.07176	0.4
134.06139	1.7
136.04042	3.4
136.07689	10.0
137.04779	0.5
137.08008	0.6
138.05605	2.4
150.05617	8.0
151.05853	0.7
152.07190	2.6
174.09244	1.0
176.03493	0.9
180.18280	0.4
186.09254	3.2
187.06424	0.5
187.11354	0.6
190.05083	1.0
191.05585	2.4
200.05894	0.4
201.06537	2.2
201.08240	0.5
202.07367	1.6
202.08807	1.4
202.12305	2.3
212.10748	1.5
214.07408	1.1
215.08098	2.0
228.10312	2.3
229.09808	14.6
230.09756	0.7
230.12012	7.5
231.11626	1.0
240.08980	0.9
244.08380	0.6
245.09271	4.3
245.13036	1.0
255.11353	3.4
257.09308	6.4
258.09842	1.3
267.07175	0.4
273.12430	19.8
274.12836	1.4
275.10342	2.2
283.10629	0.4
290.12921	0.6
317.11401	17.2
318.11838	1.3
334.11664	0.8
335.12476	100.0
336.12784	7.8
355.12808	2.0
381.61041	0.4
581.47516	0.5
691.26831	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24736	0.8
61.98802	1.3
70.52824	0.9
73.61225	1.0
78.95900	33.2
96.96935	2.5
97.02974	7.0
98.20606	1.7
99.00862	2.6
107.96278	1.0
109.06564	3.7
110.03717	1.7
135.08113	2.3
142.02701	1.4
152.99579	47.9
163.11282	5.7
171.00595	3.8
181.12318	15.6
188.91641	0.8
191.04482	1.0
197.11758	1.0
207.10252	42.9
208.10474	2.7
225.11310	77.3
226.11676	5.5
227.03197	4.1
245.04320	1.8
253.21722	22.7
254.22046	1.9
279.23273	2.2
309.36230	1.0
361.10568	6.5
395.84454	1.0
435.14151	6.1
444.90469	1.0
453.15308	100.0
454.15665	9.7
489.86755	1.1
670.81464	1.2
689.36664	43.1
690.36969	8.7
692.04016	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50312	0.5
52.60408	0.6
53.93866	0.5
55.68976	0.6
59.01367	0.7
61.98809	1.4
71.51659	0.8
78.95892	2.7
85.52180	0.5
86.38319	0.5
93.89660	0.6
109.02963	0.5
110.98504	1.3
121.21323	0.5
122.03730	5.5
123.04498	0.7
134.03746	2.2
135.04535	3.6
136.05289	1.7
148.05252	3.1
149.06068	6.9
151.07655	0.8
152.99625	1.4
161.06094	6.1
162.06805	1.1
163.07642	1.4
173.06088	0.6
176.08423	100.0
177.08926	6.2
189.09229	1.5
190.09987	1.8
191.10773	50.7
192.11086	2.7
192.70059	0.6
195.10263	0.7
205.08733	4.4
229.12308	1.0
247.13547	0.9
255.23286	13.7
256.23645	0.8
265.14441	46.0
266.14758	3.5
277.21689	11.6
278.21906	0.7
281.24832	7.2
396.01300	0.8
687.49609	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	79.4
61.98824	5.9
71.01385	17.1
71.53011	1.8
73.02939	10.2
83.01397	3.3
85.02942	5.0
87.00870	1.3
89.02453	5.8
93.03451	1.7
95.01421	0.9
96.96014	1.7
97.02978	1.1
99.00909	1.2
101.02454	11.2
102.66456	0.8
113.02451	6.6
115.07658	1.0
119.03519	1.9
123.08126	1.2
131.03548	1.0
149.04495	1.0
151.11206	1.0
158.11919	0.8
161.04587	1.9
165.12802	2.0
169.67636	0.8
178.82573	0.9
181.48502	0.9
183.13904	11.5
185.11812	3.9
191.05568	3.4
195.85904	0.9
205.53729	0.9
209.11798	2.6
226.18153	1.6
227.12608	1.1
228.16000	6.4
237.22264	2.6
249.13785	1.0
294.96820	0.9
372.20267	2.3
390.21152	1.7
526.10925	1.1
584.34473	2.1
602.35120	1.8
603.36609	1.0
626.35925	5.6
627.35577	1.2
644.36530	100.0
645.36969	18.8
689.33881	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45639	0.3
57.03450	0.7
59.01376	0.7
61.98829	4.1
67.01870	0.4
69.03458	4.4
69.37955	2.0
69.38374	0.7
74.78473	0.3
78.95924	0.5
79.05537	0.4
80.96513	0.4
83.05023	2.0
93.03482	0.6
95.05029	1.2
99.04521	8.1
100.04890	0.5
105.07109	0.6
107.05021	1.2
107.08681	1.1
109.06644	0.5
111.04518	1.1
119.08669	0.6
121.06570	1.2
123.04534	0.4
123.08154	0.6
125.02423	0.9
133.06610	1.0
133.10239	2.3
134.07370	0.5
135.04546	0.5
135.08160	2.3
145.06604	0.5
145.10210	0.6
147.08150	0.9
147.11804	0.4
149.06093	1.1
150.87567	0.3
151.07651	9.3
152.99471	0.4
159.08142	0.9
159.11720	0.5
160.08984	0.6
161.09691	1.2
163.07591	0.5
169.10239	0.5
171.10313	0.5
171.11786	6.8
172.12115	0.5
173.06065	0.5
173.09714	4.4
174.10414	0.5
179.07098	0.4
185.09721	1.2
187.11249	2.1
189.12843	34.2
190.13210	2.2
203.10779	1.4
215.10793	3.5
219.08424	0.7
231.31548	0.4
233.11810	11.2
234.12146	0.7
247.09851	1.0
255.23141	0.4
259.09952	0.4
263.07648	0.6
267.10574	3.7
277.10794	100.0
278.11124	6.7
293.08456	0.7
311.09576	34.8
312.10001	2.0
499.25101	0.4
689.26221	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.2
61.98828	5.8
65.30705	0.6
69.03448	4.2
70.27947	1.1
70.28329	1.6
71.01403	0.6
78.95918	0.8
83.05016	1.8
95.05016	1.1
97.72562	0.6
99.04514	7.7
105.07101	0.9
107.05022	1.4
107.08668	1.2
121.06585	2.3
123.08194	0.8
133.10240	1.8
135.04553	0.7
135.08174	1.4
139.68987	0.6
147.08110	0.8
151.07637	8.0
159.08170	1.3
159.20662	0.7
160.08923	1.0
161.09676	1.0
171.11778	5.6
172.12180	0.8
173.09706	3.7
174.10414	0.8
183.08173	1.3
187.11220	3.0
189.12846	35.6
190.13142	1.8
191.05553	1.0
193.46645	0.7
201.09338	0.8
213.09190	2.0
215.10660	3.5
231.10225	1.9
233.11812	11.9
234.12100	1.0
245.08150	0.8
247.07982	0.8
261.06052	0.6
267.10410	3.4
277.10791	100.0
278.11206	7.2
291.06726	0.8
311.09601	28.7
312.09793	2.0
382.78610	0.6
432.58405	0.6
483.23566	1.0
687.24323	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48408	0.9
59.01372	1.9
61.98801	1.3
69.03446	2.2
77.97066	0.9
78.95904	34.5
90.18345	1.0
92.83076	0.9
96.96960	3.2
98.20676	2.0
133.01767	1.0
149.09756	1.4
152.99580	42.2
166.45917	0.9
167.10722	3.2
171.00652	5.2
179.10764	1.9
179.14325	5.0
195.13902	14.8
205.12323	9.0
206.12593	1.1
221.09232	0.9
223.13382	70.6
224.13762	4.8
227.03246	4.3
253.21701	26.4
254.22015	2.5
255.23247	12.9
256.23602	1.7
279.23300	2.0
280.23563	2.2
281.24838	7.8
285.73480	0.9
342.69043	0.9
359.12555	4.7
377.81137	1.2
402.90656	1.0
433.16342	3.5
440.14633	1.1
451.17355	100.0
452.17657	8.7
624.61224	1.1
627.60052	1.0
687.38770	34.3
687.48981	2.0
688.38977	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	687.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80201	7.0
61.44242	6.7
67.65336	6.5
79.95731	23.5
96.96028	16.5
106.75874	7.0
108.62510	7.0
164.04814	85.1
179.07141	77.0
191.96977	7.2
208.65167	7.3
259.02792	100.0
444.04230	7.6
641.39868	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	687.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.3
61.98832	11.3
62.49454	0.9
69.03461	7.2
70.47466	2.0
71.01376	1.1
73.02878	0.9
81.03424	1.3
83.05034	3.4
85.02956	1.2
93.07085	0.9
94.37621	1.0
95.05030	1.3
96.95988	1.7
97.02942	1.3
99.04527	6.3
100.00954	0.9
105.07043	0.9
107.05025	1.3
107.08653	1.8
111.04510	1.2
121.06599	2.4
123.08115	1.5
123.54229	0.7
125.02436	1.1
133.06598	1.2
133.10217	2.6
135.04561	2.0
135.08134	1.8
139.00369	2.3
149.06120	1.1
151.07640	11.0
152.99637	1.3
159.08112	2.0
160.08916	1.1
161.09697	1.3
171.10451	1.1
171.11812	8.2
173.09689	4.8
174.10324	1.1
179.07242	0.8
187.11279	2.2
189.12851	36.6
190.13205	2.3
191.05576	1.5
195.06587	2.6
209.11903	1.1
213.09196	1.0
215.10780	4.7
229.06859	1.2
231.10294	1.7
233.11819	13.1
267.10556	3.8
275.09277	1.3
277.10797	100.0
278.11142	7.1
311.09567	95.0
312.09921	6.8
483.23782	3.2
630.07086	0.9
687.23022	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	684.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	4.5
59.30361	0.3
66.03480	0.4
69.26559	3.1
71.01402	0.3
71.08794	0.3
72.00897	0.9
74.02469	10.5
79.95751	0.3
81.04555	0.4
82.02988	1.4
86.02471	4.0
86.06114	0.4
86.41213	0.3
86.99091	0.8
87.05638	2.5
88.04041	0.3
90.00181	1.3
96.04538	0.4
97.04073	1.0
98.06099	0.4
99.04539	0.7
99.05639	8.6
101.07201	1.6
102.05583	1.2
107.06173	0.5
109.04069	1.4
109.07741	0.4
109.18756	0.3
111.05653	0.7
112.04040	1.1
113.03574	0.4
113.07212	0.5
116.01741	0.8
120.34091	0.4
123.05664	0.6
124.04035	0.7
125.03578	1.0
126.01920	0.4
127.05148	2.0
128.03537	25.9
129.03862	0.7
129.99663	0.5
131.04561	0.4
135.05626	2.5
137.07173	0.7
137.53915	0.4
139.05074	0.3
141.06664	1.6
143.04617	36.0
144.04990	0.9
145.06158	1.5
146.04596	2.8
153.06709	2.8
155.08261	0.4
160.00739	10.0
161.00945	0.3
166.09843	2.3
167.04594	2.7
167.08234	1.4
170.03343	0.5
171.04158	0.5
173.04553	0.4
177.03383	3.7
179.04617	8.9
181.06184	1.3
184.10924	0.5
185.05688	1.5
191.05621	0.6
192.07748	1.0
193.06250	0.4
196.34561	0.3
197.05663	0.9
198.08690	0.6
210.08835	7.8
231.04445	0.4
242.07896	0.7
254.07819	9.2
272.08871	14.6
273.09106	0.8
274.67145	0.3
278.07410	0.4
288.06564	7.9
306.07632	100.0
307.07870	6.4
366.90179	0.3
575.29144	0.5
684.24182	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45994	0.8
58.02976	9.5
59.01378	1.1
60.07278	0.9
66.03475	1.4
68.57502	0.9
70.02985	1.2
71.01392	0.7
72.00908	1.6
74.02476	22.5
79.71790	0.8
79.95726	2.6
80.96525	1.6
81.04576	1.5
82.02976	2.6
84.04572	0.9
86.02473	5.2
86.06114	1.1
86.99084	1.6
87.05656	4.1
88.03986	1.0
90.00192	1.4
96.04520	1.2
96.95993	2.2
97.04080	1.4
99.04524	3.2
99.05636	16.3
100.00383	0.9
101.07191	2.7
102.05605	2.7
104.44547	0.8
107.06145	2.0
109.04048	2.9
109.07675	1.2
111.05655	1.5
112.04034	2.1
120.01241	1.5
123.05641	2.4
124.04073	0.9
125.03551	2.8
126.01974	1.4
127.05147	3.4
128.03546	49.5
129.03929	1.0
129.05769	0.9
131.04628	1.5
135.04689	1.1
135.05609	5.2
137.07251	1.3
141.06683	4.0
143.04620	67.0
144.04927	2.1
145.06198	2.4
146.04597	5.8
153.06744	4.7
155.08229	1.6
160.00723	18.6
163.04031	2.4
166.09903	4.8
167.04564	5.3
167.08252	3.7
170.03380	1.3
177.03423	5.1
178.06363	2.0
179.04640	17.3
181.06201	2.4
185.05673	1.5
191.05617	2.2
192.07800	1.1
193.08673	2.3
197.05615	2.3
210.08858	15.0
233.75592	1.1
253.04565	1.2
254.07834	25.1
255.08189	1.1
272.08884	43.3
273.04449	4.4
273.09100	1.5
288.06586	13.8
306.07651	100.0
307.07889	6.0
362.39304	0.9
390.76532	0.9
479.49637	1.0
550.76196	0.8
555.20068	1.6
666.23486	3.5
684.24249	32.2
685.24396	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	683.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.9
59.01376	4.9
61.98830	15.5
63.24567	0.6
69.03451	1.1
69.24660	0.6
71.01378	4.2
73.02920	0.6
76.29749	0.6
78.95896	1.0
80.02644	0.7
83.01370	0.8
83.05007	1.1
85.02961	1.9
87.00875	3.2
89.02442	2.3
95.05030	2.7
97.06586	16.9
101.02430	6.1
113.02451	1.6
123.08157	9.7
125.09718	96.7
126.10041	4.3
143.10785	0.8
145.05067	1.8
152.99629	0.6
161.04541	2.4
169.08682	2.5
181.44554	0.6
181.47932	0.6
187.09746	38.2
188.10078	1.8
191.05699	0.5
229.10960	0.6
235.08344	3.2
253.09300	2.5
255.23303	1.8
277.21707	49.8
278.21985	4.9
405.17584	5.3
406.17581	1.1
423.18878	6.2
424.19333	0.9
598.25159	0.7
651.24060	1.1
683.40027	100.0
684.40405	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	683.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91083	0.4
57.03445	4.5
59.01376	6.3
61.98814	0.9
69.03479	0.8
71.00807	1.3
71.01379	5.9
83.05030	0.9
85.02927	0.9
86.25463	0.5
87.00895	0.8
89.02443	5.2
95.05024	1.8
97.06591	13.9
101.02427	2.9
102.88192	0.5
113.02422	2.4
119.03490	1.2
123.08167	7.1
124.08501	0.6
125.09720	98.0
126.10059	3.1
129.48836	0.5
143.10771	1.0
161.04524	0.6
169.08684	2.2
179.05603	1.0
187.09746	70.5
188.10165	3.4
201.11446	0.7
205.39240	0.5
211.09720	0.9
211.13428	0.5
250.14793	0.5
253.09230	1.5
255.23241	0.6
261.13342	1.0
277.21695	15.4
278.22076	1.2
302.32352	0.5
395.75507	0.5
405.17642	6.3
406.18143	0.7
423.18701	19.9
424.19064	1.8
513.42358	0.5
618.20544	0.7
621.47241	0.6
683.40076	100.0
684.40387	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	683.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38157	0.7
59.01372	2.6
61.23861	0.7
61.98827	5.5
71.00639	1.6
79.95743	0.7
85.02917	0.8
90.98757	0.7
99.04503	1.0
126.15965	0.7
162.83794	0.6
163.15170	0.6
171.10260	5.3
191.05611	1.3
255.23288	1.8
277.21567	2.1
293.21262	1.7
319.22766	100.0
320.23077	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	684.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55109	1.1
58.02973	10.3
59.01364	1.6
61.98804	1.4
66.03470	1.7
69.00991	1.1
70.02946	1.3
70.92424	2.2
71.01380	2.0
72.00919	1.8
74.02473	18.6
79.95733	2.3
81.04531	1.6
82.03004	2.1
85.02958	2.2
86.02466	8.2
86.99084	1.6
87.00842	1.5
87.05632	3.4
93.03444	3.2
96.95992	5.6
97.04089	2.6
99.04523	4.5
99.05631	17.9
101.07220	2.8
102.05609	3.7
107.06137	1.8
109.04065	2.8
112.04033	2.9
123.05611	2.3
125.03557	2.9
127.05165	2.9
128.03537	51.3
135.05661	4.8
141.06693	3.7
143.04616	59.5
145.06148	1.9
146.04623	6.3
153.06671	5.2
160.00746	15.8
160.04005	1.6
167.04602	4.1
167.08298	2.7
171.04088	1.3
173.04529	1.6
177.03369	7.3
179.03261	1.4
179.04620	14.6
181.06229	1.7
185.05687	2.4
191.05565	13.7
192.06055	1.3
192.07718	2.2
197.05716	1.4
210.08824	13.7
242.07991	1.2
249.09744	1.4
254.07816	27.3
263.05673	1.2
265.07248	2.4
272.08865	44.3
273.09143	2.0
278.04572	1.6
283.10724	1.7
288.06577	13.4
294.07681	3.7
306.07639	100.0
307.07901	4.9
308.07349	1.6
521.77185	1.5
666.23431	3.5
684.25385	21.1
685.25671	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94810	0.1
53.98187	0.1
56.34525	0.2
59.01374	0.5
59.43893	0.2
69.65477	0.8
71.01379	2.2
73.02946	0.5
76.15537	0.1
83.01421	0.2
85.02950	0.9
89.02441	0.4
93.03465	0.6
95.01351	0.3
96.96022	0.3
98.19856	0.3
99.00896	0.2
101.02423	0.9
108.02188	0.3
109.02977	0.3
113.02432	0.9
121.02955	2.9
122.03732	1.1
123.00876	0.7
123.04539	0.5
124.01665	0.4
127.50115	0.1
130.40489	0.2
131.05049	0.2
134.03751	0.3
135.04509	0.4
136.01694	0.2
136.05328	1.0
137.02452	0.8
137.06068	0.3
143.03354	0.2
143.05019	0.6
145.02957	0.3
145.06528	0.2
146.03705	0.5
147.04518	1.8
149.02425	1.2
150.03236	3.7
151.03998	0.3
153.05644	0.2
158.03748	1.6
159.03172	0.1
159.04504	5.4
160.05301	21.3
161.04533	1.9
161.06039	5.5
162.03201	0.2
162.06386	0.2
163.04015	4.1
164.04790	4.8
168.04214	0.2
173.04623	0.3
173.06059	2.9
174.06712	0.5
175.07632	19.1
176.04749	0.5
176.07983	1.3
177.04366	0.1
177.05563	5.7
178.06335	7.7
179.03561	0.2
179.06752	0.4
191.05605	1.1
191.07143	0.3
192.07906	1.8
193.08675	2.8
210.16882	0.2
230.59340	0.2
259.25885	0.2
260.11157	0.2
269.06784	0.2
284.10358	0.2
299.12946	0.2
314.11737	0.8
329.13922	100.0
330.14255	9.6
341.27032	0.1
353.09009	0.3
359.14987	20.6
360.15283	2.2
360.43613	0.2
393.97644	0.2
434.11633	0.2
491.19516	0.4
521.20178	2.5
522.20294	0.4
623.57410	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14411	0.3
59.01378	2.9
61.98820	1.1
66.58273	0.3
71.01375	2.2
71.09187	0.6
73.02940	0.5
73.81017	0.3
77.73616	0.3
78.95941	0.4
79.06124	0.3
79.38963	0.3
83.01418	0.5
85.02930	0.5
87.00854	0.5
89.02433	1.4
89.72824	0.2
100.79195	0.3
101.02436	2.1
101.61951	0.3
113.02457	1.2
119.03490	0.5
121.10272	0.4
125.09713	1.2
127.11276	1.9
135.98030	0.3
142.14272	0.3
143.03510	0.3
153.09193	0.5
161.04599	0.6
171.10262	100.0
172.10612	4.1
179.05652	0.5
191.05557	0.8
195.13913	2.7
196.65440	0.3
205.12241	0.3
223.13339	1.7
231.21127	0.4
235.08206	3.3
253.09262	9.7
255.23271	0.6
256.13190	0.4
275.20142	6.6
277.21707	1.2
281.13788	0.3
293.21210	35.0
294.21567	3.2
407.19232	1.7
651.24628	1.3
652.26074	0.5
683.26660	1.2
684.26898	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	3.1
59.01379	85.4
65.56110	0.7
67.01878	1.6
68.14294	0.8
71.01382	63.4
72.01716	1.1
72.99308	5.0
73.02932	1.6
79.95693	0.9
83.01395	1.7
85.02951	14.0
87.00871	6.2
89.02446	100.0
90.02787	1.4
93.03457	8.4
95.01379	2.6
96.96017	2.0
101.02446	29.3
107.03438	0.8
107.83807	0.8
111.04462	1.1
113.02446	29.1
119.03503	37.1
125.02393	1.0
127.08443	0.8
131.03494	5.1
133.02954	1.7
135.04536	8.4
140.01117	1.6
143.03502	11.4
145.02933	1.3
149.04564	4.4
155.03497	2.6
161.02437	1.9
161.04543	13.2
173.04550	2.1
179.03494	5.4
179.05600	45.2
180.05896	1.5
191.05608	54.7
192.06017	1.5
196.27843	1.0
224.04834	0.8
229.15981	1.0
238.06351	1.1
255.10222	3.2
256.20691	1.1
266.05881	1.0
269.11801	1.5
270.12561	1.1
283.09735	18.0
284.10043	1.2
295.09613	3.2
296.10565	1.2
298.12030	2.3
309.11536	1.3
310.11945	2.5
311.09235	49.1
311.12531	1.7
312.09415	4.8
317.08585	2.5
325.10806	6.7
326.11557	35.4
327.11890	3.7
341.13916	50.8
342.14301	5.7
349.77606	0.9
353.08762	17.9
354.09183	1.6
395.09714	1.3
438.06082	0.9
502.38702	0.8
623.75848	0.9
683.17877	5.2
684.18976	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94920	1.0
54.39007	0.9
58.00594	1.2
59.01382	37.0
70.84106	1.0
71.01012	2.0
71.01381	31.8
71.06837	1.0
71.50253	1.7
72.99308	2.5
84.97692	1.0
85.02948	3.8
87.00884	3.2
89.02442	42.1
95.01382	2.4
101.02439	16.2
111.35627	1.0
113.02440	14.8
119.03500	12.2
129.01945	1.2
131.03503	2.0
135.04530	9.1
136.50304	1.0
143.03522	2.7
149.04510	3.1
151.08553	1.2
161.04517	3.4
179.03505	8.6
179.05617	19.6
198.89706	2.0
245.50198	1.0
340.86490	2.1
341.10928	100.0
342.11459	7.0
550.34497	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94219	0.5
58.02983	6.9
59.01378	1.2
62.25207	0.6
62.90698	0.6
70.02979	0.7
71.01360	0.8
71.52453	1.1
72.00912	1.2
74.02477	17.5
81.04568	1.3
82.02984	1.1
84.04568	0.7
86.02467	6.4
86.06114	0.7
86.99107	1.1
87.05620	3.5
88.03978	0.8
90.00204	1.1
96.96005	1.0
97.04087	1.8
99.04528	2.2
99.05644	13.9
101.02453	0.6
101.07193	1.7
102.05608	2.2
106.83509	0.5
107.06139	0.7
109.04076	2.3
109.07742	0.6
111.05658	0.8
112.04031	0.8
112.58281	0.5
116.01764	0.6
118.61854	0.5
120.01237	0.6
123.05620	1.1
124.01680	0.9
124.04043	1.0
125.03562	1.8
127.05150	2.5
128.03545	37.1
128.24699	0.6
129.03893	0.8
135.05640	4.1
137.07121	0.9
139.04018	0.9
141.06686	3.1
143.04623	49.0
144.05020	0.7
145.06203	2.0
146.04602	4.0
152.04367	0.6
153.06686	3.4
155.08247	0.6
160.00726	12.9
163.04024	0.8
166.09840	2.1
167.04620	3.5
167.08263	2.5
170.03326	0.8
171.04094	0.9
177.03409	5.6
179.04622	11.8
181.06187	1.2
184.10765	0.7
185.05708	1.3
191.05545	1.0
192.07803	1.7
195.92380	0.5
197.05682	1.6
200.44992	0.5
209.67221	0.6
210.08847	10.7
211.09218	0.8
213.03299	0.7
242.07761	1.3
254.07832	16.1
255.08170	0.9
272.08868	29.8
273.09222	1.7
288.06580	10.3
306.07651	100.0
307.07959	5.3
308.23239	0.6
317.10385	0.7
622.38422	1.8
664.21735	3.0
665.22552	0.9
682.22760	4.4
683.25049	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	681.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97756	0.3
59.01372	1.1
69.70699	1.6
71.01382	2.9
73.02953	1.0
84.02168	0.3
85.02947	1.8
89.02447	0.5
93.03454	0.8
95.01396	0.5
96.96029	0.7
99.00889	0.5
101.02442	1.4
101.48053	0.3
104.32951	0.3
108.02184	1.0
113.02444	1.4
121.02936	3.3
122.03750	1.8
123.00846	0.4
123.04482	0.4
124.01682	0.5
134.03752	0.8
136.01659	57.5
137.02071	1.7
149.06052	0.7
151.04004	91.6
152.04358	3.7
159.04495	0.9
160.05258	1.5
161.02455	0.3
161.04568	3.6
162.03253	1.1
163.04021	1.0
175.03940	0.5
175.07623	1.5
177.05527	0.8
179.03436	0.6
189.05550	0.4
191.05620	0.9
270.01761	0.3
311.13058	0.4
313.03699	0.7
315.05109	0.6
342.11060	4.6
343.11609	0.6
357.13412	100.0
358.13745	10.7
362.94281	0.3
519.11664	0.4
519.18500	1.6
520.19116	0.4
598.83673	0.3
681.16718	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
55.03861	0.6
56.17947	0.7
59.01381	19.0
59.63234	0.6
59.80673	0.8
60.02741	0.7
65.86339	0.8
68.05925	0.6
70.13417	0.7
70.98091	0.8
71.01376	14.8
72.99310	2.5
73.02945	1.2
75.00872	5.2
79.95738	62.4
80.96529	6.3
85.02951	9.1
87.00884	3.1
89.02438	5.2
94.98135	1.1
95.01387	2.6
95.95238	22.5
96.96013	100.0
98.20679	1.6
99.00893	3.6
99.04488	3.9
101.02447	2.4
103.00368	1.0
107.08696	0.8
110.97555	1.6
113.02460	12.3
115.00388	0.9
117.01937	0.8
121.79265	0.7
122.97591	18.0
135.04561	1.0
138.97043	1.0
139.44589	0.7
141.95752	1.8
146.03737	22.9
150.03239	1.9
157.01456	0.8
161.06075	7.5
162.06401	0.8
163.04071	0.9
164.04802	14.8
165.05467	2.7
166.02779	1.4
179.03531	4.9
179.07133	12.7
181.05058	1.0
189.12817	4.6
191.05592	1.5
192.04242	1.4
194.05887	4.6
195.06516	1.1
207.06613	2.1
207.13878	4.0
209.04552	1.0
249.06143	5.0
251.12837	2.3
267.07184	11.5
304.02545	1.0
325.16626	0.9
471.08615	1.1
483.18875	0.9
484.10535	2.2
501.10803	37.1
501.19821	15.1
502.11124	5.7
502.19949	2.2
519.21143	1.7
533.95660	0.7
681.18463	44.1
681.26733	36.8
682.17157	11.6
682.27679	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	681.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
64.97024	0.6
69.39224	2.6
69.39632	2.0
79.95735	64.8
80.96523	5.9
88.20227	0.6
94.98082	0.6
95.95235	25.2
96.96009	100.0
110.97563	1.7
122.97583	22.8
135.04533	0.8
138.97043	0.9
141.95732	1.8
143.25281	0.6
145.02974	0.7
146.03732	27.0
147.04431	0.8
148.40868	0.6
149.37372	0.6
150.03238	2.0
161.06082	7.2
164.04791	16.1
165.05559	1.7
166.02701	2.1
179.03539	6.2
179.07132	14.7
180.07448	0.6
181.05099	1.1
183.07996	1.0
189.64636	0.8
192.04335	1.2
194.05832	4.5
195.06511	1.4
200.90047	0.6
207.06595	1.9
251.17656	0.8
289.00250	1.1
304.02438	0.8
305.03214	0.9
317.03165	0.9
338.43573	0.6
368.61368	0.7
401.90530	0.7
401.95975	0.7
471.10071	0.9
484.10507	1.6
501.10696	36.6
502.10876	5.9
681.18439	66.9
682.18848	14.2
689.33374	0.8
701.75494	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	10.5
61.63617	0.8
70.02979	4.7
70.84505	2.2
72.00911	3.3
79.95721	0.8
83.23390	0.8
91.05509	3.9
103.05495	0.8
136.01649	0.9
147.04526	17.3
151.03972	1.4
164.07155	54.4
165.07487	2.8
191.05609	1.3
206.08205	100.0
207.08542	4.5
211.44548	0.8
225.78809	0.7
228.53775	0.7
241.46573	0.8
250.06932	0.9
261.40945	0.8
272.59109	0.8
357.13409	1.2
400.47104	0.8
437.48877	0.8
465.09406	0.8
626.63147	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22301	0.3
52.73416	0.3
58.74625	0.3
59.01382	1.1
61.98829	100.0
71.52882	0.6
74.40408	0.4
76.59528	0.3
77.71263	0.3
90.68041	0.3
96.96031	0.6
99.07350	0.4
116.92888	0.5
135.04515	0.8
153.36508	0.4
155.04411	0.3
191.05547	1.7
197.11964	0.3
216.40436	0.4
221.48462	0.3
272.59079	0.4
294.18735	0.4
318.16910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27970	0.6
59.01387	1.0
69.28113	5.6
79.95737	57.8
80.96520	5.1
94.98099	1.3
95.95233	26.3
96.96011	100.0
98.19900	1.3
100.61835	0.6
110.97565	2.1
122.97578	24.6
131.31593	0.6
135.04483	1.1
135.65443	0.7
141.95746	1.7
145.02994	0.9
146.03735	22.8
147.04170	1.4
149.02411	1.7
150.03188	2.0
151.00378	0.6
151.04001	1.8
161.02402	5.6
161.06093	6.3
163.03957	0.9
164.04782	15.9
165.05455	2.8
166.02718	1.1
176.04738	2.9
179.03517	14.0
179.07114	10.6
180.03908	0.9
181.05058	1.3
191.07135	0.7
192.04355	0.7
194.05830	13.4
195.06523	1.2
207.06604	2.3
209.04671	0.7
209.08154	6.7
287.02362	1.2
304.02631	0.9
382.88876	0.6
398.69904	0.6
471.09686	13.2
472.09769	1.8
484.10379	1.5
501.10742	39.2
502.10986	3.9
681.18549	73.3
682.18823	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	678.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30429	1.2
58.02982	10.5
69.20847	1.4
69.21090	4.6
69.21506	7.0
70.02968	4.7
72.00909	2.2
75.82241	1.1
91.05530	4.6
94.25243	1.2
96.95982	1.7
97.52744	1.1
142.32571	1.1
147.04509	19.2
164.07166	57.5
165.07483	2.5
191.05585	2.2
206.08214	100.0
207.08507	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	677.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33307	5.0
56.41610	5.4
59.01397	6.7
61.98830	27.1
66.79785	6.8
78.95906	59.5
81.12709	6.2
98.19887	16.3
112.22245	5.3
131.42592	5.9
152.99573	55.1
185.11774	10.6
195.10263	87.3
221.72765	7.6
253.21732	20.4
277.21573	7.1
279.23178	12.9
399.25418	100.0
423.14261	11.8
441.15274	77.4
442.15521	9.4
508.41019	6.2
677.36627	40.0
678.37012	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	677.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77585	0.1
58.02961	0.3
70.02945	0.1
70.69173	0.2
70.69494	0.2
80.49994	0.1
81.03454	7.0
82.03764	0.2
83.05023	19.2
84.05357	0.5
86.97315	0.1
96.04507	0.1
99.89463	0.2
100.07661	0.4
107.06189	0.4
108.04540	0.6
125.07191	1.4
126.05595	0.4
143.08243	0.5
155.27332	0.1
166.12350	0.2
191.05577	0.4
195.66219	0.1
197.65207	0.1
199.18285	0.2
207.14993	1.5
208.13396	0.2
224.17683	2.8
225.16064	12.8
226.16446	0.7
228.22049	0.2
242.18715	0.6
250.15599	0.3
273.26013	0.1
290.22333	0.5
309.21786	0.9
324.26257	0.7
333.22995	0.8
339.27460	0.3
341.29126	1.1
350.24588	0.2
351.24118	0.2
367.26965	0.9
407.33969	0.2
433.31757	1.3
450.34427	1.4
451.32852	6.1
452.32828	0.7
468.35611	0.2
550.43317	0.8
551.43469	0.2
559.39850	0.5
593.44159	0.7
602.49585	0.1
659.48767	1.4
660.48639	0.3
677.49634	100.0
678.49945	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07478	0.8
52.11658	0.7
58.26284	1.1
59.12343	0.7
61.98827	2.7
69.55193	1.6
69.55608	4.4
78.95902	5.4
100.01542	0.8
107.95268	0.8
128.12793	0.9
152.99586	6.4
159.08487	1.3
169.12332	2.2
185.11832	3.4
195.10297	1.1
212.04326	0.9
213.11316	3.8
253.21777	1.9
291.09085	19.8
292.09256	1.9
301.21716	100.0
302.22104	8.7
359.15359	20.3
360.15381	5.0
375.18466	17.3
376.18594	1.9
393.36603	1.0
441.15210	8.8
605.50696	0.9
677.36835	4.4
678.36932	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	677.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.1
61.98824	6.9
70.15704	0.9
71.51508	1.9
78.95903	9.1
152.99571	10.0
157.40529	0.9
159.08421	1.2
169.12340	2.8
171.10316	1.3
181.62433	0.9
185.11806	2.8
213.11276	3.8
253.21725	3.2
255.23285	1.2
265.14856	0.9
291.09094	22.2
292.09204	1.9
301.21701	100.0
302.22012	9.8
349.10400	1.0
359.15323	25.3
360.15518	3.0
375.18427	18.1
376.18564	2.1
388.04651	1.0
423.14011	2.2
441.15247	11.0
677.36548	5.7
678.38422	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	677.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.9
59.01369	10.0
61.98535	5.1
61.98832	66.1
64.64400	3.8
67.01889	4.7
69.30405	29.8
78.95898	6.6
81.03468	4.1
99.04515	97.7
100.26541	3.4
133.28706	3.5
135.04544	7.4
143.04997	6.9
149.06085	3.5
156.05753	5.3
157.06587	4.7
159.04639	3.8
159.08144	12.0
171.08139	14.4
173.06133	3.7
175.07536	4.2
186.06789	4.0
191.05563	7.1
192.11456	4.1
195.08217	5.3
198.06799	7.7
200.34380	4.1
201.09241	26.8
203.07149	4.9
213.09227	24.2
215.07172	8.5
227.07158	7.0
229.08783	4.9
231.10254	52.7
232.10555	3.7
239.06894	4.4
245.08183	61.8
246.08469	6.1
257.08197	47.7
258.08578	4.9
265.14404	20.6
275.09262	100.0
276.09509	9.2
375.14105	5.4
677.27167	47.4
678.27661	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	677.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59102	0.4
55.01859	1.7
57.03440	1.3
58.00571	1.7
59.01381	37.8
61.98812	1.9
69.03442	2.0
71.01381	33.4
71.01726	0.4
72.01695	0.9
72.99310	2.3
73.02943	6.7
75.00874	0.6
75.81369	0.4
80.96512	0.8
81.03465	2.1
83.01384	4.1
84.02142	0.4
85.02950	7.8
87.00876	8.2
89.02444	30.0
90.02777	0.7
91.03981	0.5
95.01380	2.5
97.02957	6.7
98.19852	0.9
99.00871	2.2
99.04480	0.8
101.02444	31.3
102.02767	0.7
103.03966	0.4
109.02954	0.7
111.00888	0.8
111.04501	1.4
113.02454	13.1
114.02776	0.5
119.03508	9.4
121.02926	0.7
125.02446	11.4
131.03516	1.7
133.05052	1.1
139.04013	1.0
141.01918	0.5
143.03505	5.3
149.04555	1.0
155.11751	0.4
161.04564	7.5
163.03915	0.6
167.03494	1.2
169.05089	0.8
179.03468	0.4
179.04056	0.5
179.05632	6.3
199.06172	0.6
217.07227	1.0
221.06612	1.8
232.84772	0.4
235.08226	12.7
236.08432	0.5
245.06673	0.7
253.09320	3.5
263.07721	1.3
277.09378	1.3
279.23279	100.0
280.23645	7.8
287.07764	2.9
293.24945	0.6
305.08847	3.2
323.09836	1.7
361.12009	0.5
379.12543	1.2
397.13498	74.1
398.13776	4.4
415.14569	30.2
416.14963	3.0
486.95224	0.6
577.27008	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.42415	0.3
60.01705	0.9
61.98820	1.3
70.37654	1.0
78.95922	0.6
116.20941	0.3
116.44277	0.3
132.95822	0.3
152.99641	0.7
218.19659	0.3
290.66208	0.3
411.40189	0.4
417.37668	0.4
447.63757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	46.7
61.98838	2.6
71.01383	31.1
72.99302	2.5
73.02946	21.5
79.95723	3.3
83.01381	7.2
84.97236	1.9
85.02958	7.9
87.00858	11.1
87.81219	1.9
89.02446	17.4
96.96017	7.5
97.02904	2.1
101.02435	23.3
113.02467	13.8
119.03475	6.8
122.03739	25.9
125.02407	3.0
131.03542	2.1
149.06079	8.1
151.07642	3.1
161.02438	2.2
164.07146	5.2
176.08417	2.8
179.03471	4.0
179.05486	2.1
179.10742	2.6
191.05650	5.1
191.10735	15.1
194.05754	2.3
206.08234	10.6
231.13806	2.8
249.15080	9.3
267.15979	27.8
273.48370	2.1
291.04794	2.5
411.20190	36.4
412.20432	6.4
428.20456	4.9
429.21240	56.5
430.21500	7.2
467.08307	2.8
471.22299	100.0
472.22705	12.5
573.25604	19.3
574.25970	2.9
591.26581	7.0
616.71393	2.1
633.27509	5.7
677.17590	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	677.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	43.3
61.98849	1.3
71.01001	2.7
71.01378	30.7
71.28618	2.9
72.99261	1.7
73.02944	23.4
79.95754	3.0
83.01364	5.4
85.02940	9.1
87.00882	9.4
89.02442	16.5
95.01383	2.6
95.95245	1.6
96.96025	8.0
97.02951	2.7
99.00858	2.5
101.02447	25.2
113.02440	13.4
116.99034	1.4
119.03504	7.5
122.03745	22.9
125.02459	2.1
131.03471	1.4
134.03711	2.3
135.04535	1.6
137.45329	1.3
143.03505	2.0
147.04422	1.6
149.06114	9.2
161.02374	1.8
161.04509	2.0
164.07129	4.1
179.03502	3.7
182.58983	2.0
189.09184	1.9
191.05574	5.4
191.07191	1.5
191.10785	11.7
194.05730	2.5
202.83377	1.4
206.08183	7.9
243.75961	1.5
248.14084	2.9
249.14984	11.4
251.16585	1.8
266.15033	1.8
267.15973	29.9
268.16269	1.9
411.20148	28.4
412.20554	4.5
428.10324	1.8
428.20468	3.8
429.21259	67.8
430.21445	8.2
470.21408	2.5
471.22321	100.0
472.22586	13.4
573.25610	17.0
574.25610	2.1
591.26471	5.8
633.27203	6.1
677.16864	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	673.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
67.96922	1.4
67.97301	1.3
69.03445	3.0
69.58514	7.6
75.62698	1.4
78.95901	33.2
78.96331	2.7
80.78278	1.5
96.96946	2.4
98.19962	2.0
111.08186	1.8
119.09789	1.4
152.98375	2.9
152.99579	40.4
165.12843	6.0
168.63397	1.4
171.00664	2.6
181.12358	7.3
184.82524	1.4
191.10677	7.1
192.07965	1.4
209.11826	67.1
209.13820	3.2
210.12102	3.3
226.16190	1.6
227.03317	4.0
250.96858	1.4
253.21725	24.9
254.21880	2.1
255.23149	2.6
278.99069	1.6
345.11087	4.9
419.14664	4.0
437.15775	100.0
438.16110	8.3
673.37085	29.1
674.37311	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	675.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22404	0.2
55.01880	1.7
57.03444	1.3
58.00594	2.7
59.01379	53.8
60.01707	0.6
61.98824	0.7
64.12128	0.2
67.01868	0.3
68.99821	0.6
69.03455	2.7
71.01380	42.7
72.01720	0.7
72.99309	2.9
73.02945	7.6
75.00887	1.2
78.95923	0.2
80.46519	0.2
81.03460	1.9
83.01384	5.6
83.05029	0.6
84.02154	0.2
85.02947	10.2
86.00108	0.5
87.00875	11.7
87.04507	0.4
87.78547	0.2
88.01215	0.2
89.02443	39.7
90.02741	0.4
90.28472	0.2
91.04018	0.7
92.49477	0.2
93.03459	0.8
95.01387	3.2
95.04980	0.2
97.02945	7.5
98.20763	0.3
99.00887	2.3
99.04520	0.6
101.02439	36.7
102.02788	0.7
103.00378	0.4
103.04023	0.6
107.01423	0.2
109.02948	0.8
111.00880	0.8
111.04525	1.2
112.01650	0.5
113.02445	18.1
114.02762	0.3
115.04010	0.8
119.03496	12.3
120.03872	0.2
121.02974	0.9
123.00879	0.4
123.04490	0.4
124.01649	0.6
125.02446	14.8
126.02782	0.3
127.03973	0.8
127.07639	0.2
129.01906	0.2
131.03503	2.3
133.05060	1.4
137.02420	0.3
139.04010	1.2
141.01952	0.6
143.03493	7.0
144.03812	0.3
145.05013	0.3
149.02429	0.3
149.04547	1.3
151.04022	0.3
156.85031	0.2
157.05061	0.4
161.04546	9.9
162.04866	0.3
167.03525	0.8
169.05028	0.4
171.03026	0.5
179.05603	8.0
180.05983	0.4
185.04533	0.8
191.03491	0.2
199.06134	0.9
203.05699	0.6
217.07083	1.2
219.05089	0.4
221.06613	2.6
233.06648	0.2
233.22916	0.4
235.08211	17.1
236.08623	0.6
245.06651	1.0
253.09251	5.5
254.09595	0.2
259.20575	0.3
263.07648	1.7
275.20093	0.5
277.09607	1.2
277.21695	100.0
278.22046	10.2
287.07742	3.8
288.08142	0.3
291.23337	0.4
295.10129	0.2
305.08801	3.9
306.09106	0.2
319.22769	0.2
323.09863	1.8
345.34592	0.2
361.11411	0.7
379.12378	1.2
397.13480	83.7
398.13828	6.8
415.14551	36.2
416.14828	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	675.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90409	0.2
55.01877	1.6
57.03447	1.4
58.00597	2.0
59.01380	50.3
60.01719	0.6
61.98817	0.9
67.01907	0.4
68.99807	0.5
69.03456	2.2
70.52930	0.6
70.53288	0.7
71.01382	41.0
71.06334	0.3
72.01733	0.5
72.99316	2.7
73.02943	6.6
75.00867	1.2
81.03472	1.7
83.01385	5.1
83.05030	0.4
85.02950	8.7
86.00107	0.3
87.00879	9.4
87.04534	0.3
89.02445	35.7
90.02766	0.6
91.03987	0.7
95.01392	3.1
97.02957	7.1
99.00893	2.4
99.04529	0.6
101.02443	35.0
102.02782	0.9
103.00331	0.5
103.04018	0.5
109.02953	0.8
111.00900	0.4
111.04520	1.0
111.08131	0.3
113.02449	18.1
114.02806	0.6
115.03998	1.0
119.03501	11.8
121.02936	0.7
123.00877	0.4
123.04534	0.5
124.01691	0.4
125.02450	14.1
127.07652	0.3
129.01894	0.3
131.03511	2.0
133.05063	1.2
137.02473	0.5
139.04008	1.2
141.01953	0.6
143.03493	7.0
149.04535	1.5
161.04550	8.4
167.03474	0.8
169.05099	0.4
171.03032	0.4
179.05608	6.9
185.04663	0.6
192.75600	0.3
199.06134	0.8
203.05659	0.6
217.07181	0.9
219.04915	0.4
221.06657	3.1
229.01097	0.3
233.22765	0.6
235.08221	15.6
236.08667	0.8
238.64372	0.3
245.06699	0.9
253.09251	4.8
259.20609	0.6
263.07791	2.2
275.20224	0.5
277.09344	1.1
277.21713	100.0
278.22070	9.0
278.25021	0.2
287.07666	3.8
291.23312	0.6
305.08792	4.0
306.08936	0.4
323.09863	2.0
379.12366	1.1
397.13489	82.4
398.13858	7.3
415.14557	37.6
415.18817	0.6
416.14899	2.7
561.35559	0.4
675.34943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86985	0.6
58.47818	0.6
59.01373	1.3
61.98832	1.0
79.95733	26.9
79.96207	1.5
96.96021	1.3
118.99335	0.7
135.04529	4.4
138.06509	0.7
162.94266	0.7
163.04001	45.3
164.04333	1.8
164.37016	0.8
178.06335	53.0
179.06660	2.8
191.05659	1.4
193.08685	46.9
194.08994	2.4
209.11792	0.9
218.98125	0.7
258.02075	1.3
273.04367	100.0
274.04800	6.7
278.73087	0.6
289.13330	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	5.7
69.25275	15.1
71.01373	2.1
96.96061	1.8
101.02459	2.1
108.01481	2.9
108.02176	46.1
109.02994	10.4
133.02998	2.4
135.04485	2.4
139.11267	7.5
152.01149	100.0
153.01898	7.8
156.43996	1.5
163.04008	2.1
174.73303	1.6
179.03398	1.5
181.12317	4.2
183.10271	7.4
188.41315	1.6
191.05666	3.0
225.11241	2.3
243.12328	4.5
263.66541	1.5
315.07147	1.9
352.76013	1.7
429.10382	9.4
605.15668	1.6
629.24042	5.0
637.77252	1.5
673.23419	99.1
674.23792	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	673.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68644	2.1
59.01379	13.0
61.98829	55.7
66.59991	2.1
69.03442	2.2
71.01378	49.6
71.52409	3.3
73.02938	4.9
78.95905	16.4
80.78797	2.4
83.01398	3.8
83.05051	3.3
85.02964	6.1
89.02418	6.5
93.03512	2.3
97.02934	4.9
97.06615	3.5
99.00854	2.8
101.02443	9.5
109.06583	7.7
113.02435	6.4
116.98892	2.2
123.08092	2.5
125.09740	3.9
152.99564	8.4
158.46086	2.1
161.04596	3.0
163.11249	8.6
165.12877	3.2
167.23230	2.0
171.10289	10.7
181.12292	4.5
183.13904	13.5
191.05563	5.1
191.10812	2.7
199.13373	24.9
201.11334	10.3
207.10243	24.3
209.09894	4.2
209.11821	62.2
210.12123	4.0
211.13396	100.0
212.13705	5.8
224.94798	2.2
225.11307	22.9
227.12868	64.8
228.13168	3.7
229.14348	3.4
235.08304	4.9
247.13353	2.8
253.09229	14.3
271.02261	3.5
277.21851	2.5
300.02682	4.9
314.04333	2.8
315.05106	5.6
401.23227	5.9
419.24170	5.3
461.20163	5.8
463.21707	12.3
518.19049	2.6
523.23767	2.4
637.32251	4.9
655.33533	11.6
656.33917	5.3
673.34253	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	673.344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09983	0.2
59.01381	3.0
61.98823	0.7
63.49358	0.2
63.60659	0.2
67.54621	0.2
68.04424	0.2
69.03455	0.3
71.01376	2.3
71.53671	0.4
72.47412	0.2
73.02936	0.4
80.02677	1.2
80.91213	0.3
81.03454	1.1
83.01376	0.5
83.05021	4.5
84.02165	0.7
84.05368	0.2
85.02955	1.1
87.00886	0.8
88.98827	0.6
89.02457	1.3
90.65031	0.2
93.03465	1.3
95.05025	0.7
96.95998	0.5
97.06583	0.3
101.02433	2.0
109.06602	0.5
113.02457	1.0
119.03522	0.5
120.05893	0.2
125.06044	0.5
125.09709	0.3
135.08130	0.6
139.08733	0.3
147.11778	0.2
152.07321	0.3
161.04544	0.6
163.11267	3.5
164.11629	0.2
165.12810	2.2
167.55728	0.2
171.10292	2.2
173.04514	1.0
177.09126	0.3
181.12344	0.7
185.11786	0.4
191.05640	2.2
191.10745	0.9
199.13351	0.5
209.11813	100.0
210.12138	5.4
211.13528	0.2
221.11694	0.4
225.11391	0.4
227.12869	12.6
228.13190	0.8
235.08241	1.6
247.13385	0.9
253.09283	5.2
263.12903	1.0
265.14407	0.7
401.23364	0.3
445.20981	0.6
629.30304	0.4
637.32208	0.9
638.33984	0.3
655.33203	0.7
673.33295	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52655	1.0
59.01378	1.1
60.49688	0.9
61.98824	6.9
64.47955	1.0
67.11560	1.0
73.02940	3.2
74.03289	0.8
75.00848	2.3
78.95903	1.4
103.84369	0.9
114.97793	1.1
126.19608	1.0
127.81711	0.9
147.82028	1.0
257.44473	1.1
473.18384	2.6
479.17578	1.4
483.13321	1.7
483.20197	2.1
495.13177	2.1
496.14081	1.5
500.17075	1.7
510.15442	5.8
512.12927	1.9
521.18146	1.4
523.16370	2.0
525.17505	1.5
526.14856	19.2
527.15137	4.3
569.16602	7.4
570.17517	1.5
599.17822	1.9
642.34760	1.0
673.21490	100.0
674.21753	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	670.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50118	1.7
58.10055	1.4
59.01374	12.4
61.98830	100.0
63.37429	1.4
78.95901	1.8
87.63364	1.3
99.44693	1.4
109.02892	1.8
140.54880	1.8
153.01904	2.1
153.18666	1.5
157.08704	3.2
168.96745	1.7
209.11714	2.3
338.63043	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	671.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52282	0.8
55.67959	0.7
59.01384	8.6
70.95346	1.6
71.01376	3.5
73.02950	5.8
81.99784	0.8
83.01375	2.6
83.05002	1.0
85.02945	2.7
87.04498	2.4
93.03455	1.2
96.95977	2.1
99.04510	1.3
101.02437	1.3
111.08196	0.9
122.03744	47.3
123.04034	0.8
124.05311	1.1
134.03770	1.0
135.04370	0.7
136.05244	0.8
139.07652	0.8
139.11304	9.3
149.06111	8.4
151.07649	4.8
153.09196	2.1
161.09709	2.2
162.06874	1.4
163.11339	1.0
165.09270	1.4
167.64969	0.8
169.12419	1.0
173.04466	0.9
177.09210	1.3
179.10764	4.2
181.12352	3.4
183.10281	8.3
189.09172	1.0
191.05548	3.2
191.10768	8.9
199.13383	1.4
199.61131	0.9
207.10191	2.1
214.09914	0.9
217.12305	2.3
225.11348	7.3
229.12282	1.9
235.13448	4.5
243.12387	5.5
251.12888	9.4
253.14494	1.4
265.14420	4.9
282.14728	16.7
283.15503	40.8
284.15955	2.2
387.16776	1.0
427.19797	4.1
428.19803	0.9
653.31909	2.8
654.32800	0.9
671.32843	100.0
672.33167	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	673.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	9.3
65.68269	0.5
69.22487	3.2
69.22914	2.0
73.02940	1.8
75.00864	1.9
75.37187	0.5
78.95900	0.8
98.20695	0.9
103.00372	1.0
105.89412	0.6
120.30383	0.5
220.05090	0.5
376.73196	0.8
436.15445	0.6
452.11066	1.2
455.17673	1.5
466.16415	1.9
467.12814	0.9
467.17017	0.6
468.11868	0.9
468.18140	0.9
469.19421	0.7
473.18298	2.0
479.17087	2.0
481.19128	0.6
483.12863	0.8
483.20761	3.6
493.19019	2.0
494.19174	0.9
495.13293	1.8
497.18503	1.3
500.17148	1.3
510.15311	8.4
511.15659	2.3
512.13568	0.8
518.14111	0.8
521.18250	2.2
523.16223	3.2
524.16846	1.0
525.17816	3.9
526.14667	11.4
527.15112	3.2
537.17554	1.5
538.18469	2.5
542.13812	1.3
550.14697	2.0
553.21100	1.3
565.17432	2.0
569.16766	7.6
570.17297	3.9
599.18079	2.2
629.22058	0.9
632.17413	1.0
641.19043	8.3
642.19031	2.2
673.21509	100.0
674.21722	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
61.98827	0.2
64.66578	0.1
69.53108	0.7
69.64213	0.1
70.87040	0.1
71.01384	1.7
73.02954	0.3
73.53703	0.1
83.01379	0.1
83.05021	0.1
85.02959	0.5
87.00890	0.3
89.02451	1.1
91.03947	0.1
95.01416	0.1
97.06651	0.1
99.00890	0.1
99.08157	0.1
101.02435	1.5
113.02413	0.6
119.03497	0.3
125.09713	1.0
127.11305	2.0
128.40950	0.1
143.03481	0.1
145.05054	0.1
153.09233	0.5
161.04568	0.7
168.21912	0.1
171.10268	100.0
172.10602	4.0
179.05568	0.3
182.35229	0.1
197.74075	0.1
235.08199	1.4
253.09277	4.8
254.09688	0.2
259.20593	0.2
275.20190	0.1
277.21707	49.1
278.22086	4.0
407.19214	1.0
507.21838	0.1
513.31177	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
57.03470	0.2
58.51303	0.1
58.96954	0.1
59.01378	3.0
61.98824	0.3
70.07378	0.4
70.07779	0.2
71.01377	2.4
73.02953	0.4
75.16430	0.1
77.44479	0.2
83.01395	0.3
83.05049	0.2
85.02926	0.7
87.00886	0.5
89.02438	1.3
90.80182	0.1
95.01398	0.2
97.02888	0.2
98.82235	0.1
99.00887	0.2
101.02447	2.0
113.02462	1.1
118.53064	0.1
119.03493	0.5
125.09703	0.9
127.11291	1.8
143.03499	0.2
145.05046	0.3
149.04550	0.2
152.07803	0.1
153.09200	0.7
161.04562	0.8
171.10260	93.3
172.10602	4.1
179.05618	0.2
213.34592	0.1
233.22682	0.4
235.08197	2.8
253.09262	6.6
254.09608	0.2
259.20624	0.3
275.20047	0.3
277.21695	100.0
278.22043	9.4
285.94977	0.1
291.23254	0.1
407.19086	0.5
430.56949	0.1
513.30243	0.4
631.43481	0.1
667.38062	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.6
59.35471	0.3
61.98824	1.1
70.52763	1.0
71.01395	1.4
78.95919	0.5
87.00846	0.5
89.02458	0.9
101.02437	1.3
109.91779	0.3
113.02475	1.1
119.34595	0.3
125.09722	0.8
127.11291	1.4
152.99632	0.3
171.10263	100.0
172.10577	4.1
191.05779	0.3
235.08205	1.4
253.09283	4.9
277.21704	58.7
278.22009	5.2
312.76758	0.3
380.41406	0.4
382.78793	0.3
407.18884	0.8
549.21545	0.4
552.57983	0.4
635.25116	4.7
636.25708	2.2
667.27771	1.7
668.28076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02218	0.4
57.03448	31.6
57.29567	0.4
59.01381	0.6
59.36601	0.5
69.03451	1.7
70.38448	1.4
71.01379	0.8
76.52795	0.4
78.37262	0.5
83.05019	1.0
85.06609	1.0
87.00845	0.4
90.67471	0.4
93.03465	0.6
93.17505	0.4
95.04992	0.7
96.96001	3.4
107.05022	1.3
109.06586	6.8
111.08157	0.7
123.08160	28.3
124.08496	1.1
125.09728	5.1
129.90486	0.5
135.08160	7.7
149.09689	0.5
151.11279	6.1
161.06078	0.6
165.05661	0.6
176.08391	3.2
177.12862	2.0
179.10748	1.8
191.05647	1.0
191.10732	1.8
195.13890	70.1
196.14262	4.8
239.12878	100.0
240.13193	6.1
265.14560	2.8
341.41815	0.4
466.66034	0.5
667.17365	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	667.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	33.3
69.03461	1.6
69.90697	0.4
71.01395	0.5
71.28078	0.7
83.04559	0.4
83.05020	1.6
84.66985	0.5
85.06577	0.6
90.75346	0.5
93.03471	0.5
95.05045	0.6
96.96021	2.6
100.08844	0.4
102.41006	0.4
107.04994	1.2
109.06586	7.1
111.08148	0.9
111.48914	0.4
120.05796	1.0
123.08163	30.1
124.08507	1.5
125.09721	5.1
135.04489	0.5
135.08167	8.3
137.09732	0.6
149.09749	0.9
151.11273	7.8
153.09261	0.4
164.08482	0.6
176.08395	2.6
177.12856	1.8
179.10883	1.0
191.05563	1.2
191.10774	1.3
195.13898	72.3
196.14236	4.3
216.55481	0.4
233.65097	0.4
239.12880	100.0
240.13219	6.2
265.14456	3.2
667.16992	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17237	0.4
61.98825	2.5
65.66453	0.4
69.31358	2.1
69.31780	1.5
86.35289	0.4
96.49066	0.4
96.51067	0.5
132.68924	0.4
138.86400	0.4
171.10275	0.4
270.29581	0.4
319.22769	100.0
320.23080	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	666.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.51077	0.8
75.47175	0.7
101.59122	0.8
137.17960	0.9
140.86269	0.8
201.20689	1.0
246.16734	0.8
262.06430	0.8
330.48572	0.9
603.42395	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	667.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02700	0.3
59.01378	100.0
60.01731	0.7
61.98823	2.1
62.50227	0.3
70.31544	0.7
78.95891	0.5
86.44396	0.3
89.02446	0.6
93.87937	0.3
114.17523	0.3
117.74640	0.3
125.04696	0.3
149.04524	1.6
283.02130	0.4
389.23972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.4
59.92245	1.8
69.28672	14.8
69.29082	5.5
79.95735	32.1
80.96521	4.3
81.95317	3.7
85.03014	2.8
89.67027	2.2
94.61655	2.0
95.95244	5.7
96.96008	39.2
98.19817	4.3
98.95589	37.3
98.96436	5.8
100.96028	5.9
128.03497	3.4
135.04497	5.6
143.04616	5.6
152.01158	3.9
160.00815	2.7
163.04008	45.1
166.06317	6.9
175.20914	2.7
178.02789	2.3
178.06355	48.4
179.06651	3.1
191.05699	5.4
193.08688	41.9
194.08946	3.1
273.04388	100.0
274.04736	5.6
306.07642	4.7
343.10803	2.8
549.40302	2.4
667.18280	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	667.2767
Annotation	Swietephragmin D
Peak:m/z	Relative Intensity
59.01387	0.9
61.98830	2.3
85.17390	0.6
99.78147	0.7
118.28953	0.6
126.81352	0.6
152.99565	0.8
171.10252	33.0
172.10472	0.6
191.05655	1.0
197.07237	0.9
204.59081	0.7
209.07147	1.3
211.08745	5.3
221.10905	0.8
223.05161	1.1
223.12410	1.4
225.13971	1.5
237.06662	6.3
238.07208	0.8
253.09494	1.4
254.85052	0.7
269.09265	1.8
277.21713	19.8
278.22058	0.9
447.18176	2.0
459.14822	1.3
461.19977	1.5
462.20105	1.0
473.16107	1.1
474.17096	1.1
475.17548	4.3
476.18292	1.2
489.19324	15.3
490.19919	3.6
491.21045	1.3
533.18091	6.3
534.18878	2.8
548.20941	1.8
549.21246	4.6
550.22028	1.4
561.21283	1.1
635.25055	100.0
636.25513	30.7
637.26538	3.3
667.27716	24.7
668.27777	4.6
674.69116	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
61.18373	2.4
61.98835	6.2
76.21580	2.3
78.95908	22.8
83.05025	3.7
85.24648	2.6
104.84528	2.8
110.98517	8.8
122.97589	7.4
125.09684	6.6
152.99594	10.0
153.78664	2.3
163.11249	3.5
167.01106	3.0
199.13400	19.1
201.11346	4.7
206.66576	2.5
209.11826	71.5
210.12151	4.5
210.90637	3.1
223.86394	2.6
227.12910	27.6
235.27626	2.4
255.23274	100.0
256.23563	8.5
405.05411	2.5
423.25076	4.0
429.15439	14.4
633.37842	12.0
646.36450	3.1
665.40411	54.1
666.40503	13.2
686.37653	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	665.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63158	0.8
58.00593	1.2
59.01379	35.4
61.98823	0.9
64.19073	0.8
69.23077	1.9
69.23476	6.9
70.14080	0.7
70.74566	0.8
71.01382	20.6
72.99299	1.9
74.02396	0.7
75.90093	0.8
77.71562	0.7
81.34557	0.8
83.01376	1.0
85.02963	3.8
87.00878	1.2
87.12427	0.7
89.02444	23.6
95.01401	2.4
96.95990	2.3
98.19926	1.3
101.02448	13.6
106.42068	0.8
113.02454	8.3
119.03504	10.1
120.99678	1.7
131.03510	1.5
135.04550	7.2
149.04550	1.1
162.47939	0.9
179.03545	5.0
179.04897	0.9
179.05376	0.7
220.89815	0.8
323.13461	100.0
324.13766	8.0
341.08542	1.5
647.58490	1.0
661.24915	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71884	1.0
55.01894	1.1
57.03442	4.2
58.00590	1.1
59.01383	50.3
68.99812	1.6
69.03460	2.5
70.10180	2.0
70.10574	2.0
71.01383	21.4
71.98758	1.0
72.99311	1.4
73.02945	2.9
79.95738	1.9
80.96545	2.3
83.01385	2.3
83.05014	1.1
85.02957	18.3
87.00880	5.5
87.34001	1.2
89.02460	5.0
93.03454	1.2
95.01385	4.3
95.95219	1.4
96.95998	8.9
99.04514	4.2
101.02440	5.5
103.00356	1.6
109.06576	2.4
111.00865	1.2
112.01675	1.1
113.02448	24.9
129.01952	2.6
146.03760	6.6
149.04590	3.1
157.01468	1.4
161.06053	2.2
164.04800	4.1
165.12836	3.3
179.07108	5.1
189.12862	3.5
191.05612	2.5
191.10786	1.6
199.00519	1.0
205.07117	1.5
207.13864	8.3
209.11838	7.0
249.06056	2.6
251.12868	2.0
263.07632	3.5
269.13889	2.9
281.08893	11.0
281.23904	1.3
282.09238	1.3
343.17679	5.3
376.17896	1.1
399.23529	1.3
446.22675	1.0
473.20416	1.7
485.11127	4.9
501.19717	4.4
515.21222	2.9
533.22437	100.0
534.22736	12.9
561.29004	11.8
579.30249	9.3
665.27271	27.8
666.26953	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	665.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15519	0.5
59.01372	1.6
61.98831	3.3
67.09417	0.5
71.01367	0.9
71.49934	0.4
72.04144	0.5
73.02936	0.7
73.37441	0.5
79.95737	0.7
96.96004	16.6
98.95596	9.2
98.96336	1.1
99.92580	26.6
100.92615	1.2
100.93362	1.5
111.00916	0.5
115.92076	15.9
116.92856	100.0
117.92894	4.8
141.93617	1.5
142.94366	1.2
158.93906	0.5
184.91872	3.1
224.94872	0.9
242.95888	0.7
302.58578	0.6
317.20969	0.7
345.96103	0.6
383.13260	0.7
401.14279	1.6
415.12271	3.0
471.14667	0.7
543.16833	2.0
545.18518	0.7
561.17560	1.2
579.18933	2.0
580.20142	2.2
585.17621	2.1
586.18433	0.7
603.18774	2.3
621.19995	12.8
622.20282	2.3
665.19012	31.2
666.19373	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	665.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53146	0.3
59.01379	0.9
61.98819	1.0
71.01376	0.8
72.99303	0.8
75.95106	0.3
79.95742	0.5
87.00845	0.4
93.62833	0.4
96.96009	13.2
97.95969	0.4
98.95599	6.9
98.96407	0.9
99.00903	0.8
99.92581	26.3
100.92593	1.3
100.93375	1.0
103.00391	0.5
114.93426	0.5
114.94917	0.4
115.92078	15.0
116.92857	100.0
117.92875	4.6
126.94931	0.6
140.92880	0.5
141.93604	1.0
142.94392	0.6
156.92293	0.8
158.93912	0.7
169.93236	0.3
173.92639	0.4
174.93324	0.5
184.91806	2.3
198.93524	0.3
234.89619	0.3
259.96347	0.8
299.20062	0.9
301.97308	0.4
317.21185	0.4
383.13132	0.4
399.12732	0.6
401.14163	1.5
415.12228	2.9
416.12772	0.8
417.13654	0.5
427.45068	0.4
443.15152	0.5
447.52316	0.4
511.03046	0.3
525.15381	0.6
543.16705	1.8
545.17914	0.6
561.17932	1.0
562.19086	0.4
579.18713	3.0
580.20343	0.5
585.17847	1.5
590.35168	0.5
603.19263	1.9
621.20056	10.3
622.20612	2.3
665.19049	32.7
666.19122	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	665.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.9
66.05579	1.0
71.01365	3.2
71.52583	1.6
73.02951	1.1
79.95739	30.6
80.96523	33.4
85.02922	1.8
86.47545	1.2
87.00871	1.6
93.03439	4.6
95.95231	29.0
96.96014	93.7
98.95587	1.7
99.04520	1.2
101.02430	1.9
109.02921	1.2
109.78159	1.0
110.97582	2.8
120.99650	2.2
122.97619	5.7
132.02103	1.1
133.02950	2.3
135.04538	6.3
136.01674	2.9
137.02438	1.8
138.29465	1.2
145.02911	3.5
146.03745	100.0
147.04260	4.0
149.02444	1.2
150.03241	8.9
151.03955	4.0
160.01642	2.1
160.16646	1.3
161.02415	1.3
161.06079	26.8
162.03015	1.8
162.06439	1.9
163.04060	5.2
164.04799	68.1
165.05635	7.8
166.02750	3.0
173.04541	4.9
177.01894	1.4
177.05652	1.5
178.02681	11.1
178.06244	1.7
179.03596	2.1
179.07138	77.6
180.07446	4.0
181.05083	2.9
185.40820	1.1
191.05614	15.2
192.04321	3.1
193.05046	16.9
207.06583	5.1
209.08238	1.5
215.05811	1.5
267.54773	1.1
273.00705	12.1
273.04037	1.9
288.03076	16.8
289.03940	3.0
351.07022	6.0
356.24063	1.2
369.09717	1.1
387.14371	3.8
393.48267	1.1
468.11023	3.2
470.70700	1.2
475.01483	1.2
485.11234	76.3
486.11829	5.7
533.21979	1.3
543.14911	3.1
605.21997	2.1
665.19000	97.7
666.19263	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	664.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07766	0.1
61.98830	100.0
62.98532	0.2
64.70414	0.1
69.15942	0.4
69.16361	1.1
89.34979	0.1
114.90678	0.1
133.10318	0.1
159.40349	0.1
164.04773	0.7
179.07153	1.0
186.84094	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39438	0.7
59.01380	18.5
61.98829	6.7
65.02445	0.7
65.91595	0.7
70.07433	1.6
70.07807	2.5
78.95903	34.7
92.46925	0.7
102.73165	0.8
102.82151	1.0
107.05025	0.8
152.99605	5.1
165.12727	1.1
168.04352	5.3
169.01442	0.9
181.12334	0.9
199.13379	19.1
200.13829	0.9
224.06927	10.8
242.08025	1.9
279.19635	12.2
280.19855	1.1
306.08099	0.8
332.50327	0.8
346.43292	0.7
347.26013	4.1
365.26956	93.2
366.27209	9.5
519.27301	1.5
590.34613	100.0
591.34967	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	663.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02761	0.2
70.95119	0.6
78.95924	0.4
88.14169	0.2
91.93372	0.3
98.20616	0.3
111.38833	0.2
130.17889	0.3
155.65944	0.3
185.72879	0.3
212.12988	0.3
268.98010	0.3
280.86133	0.3
287.88190	0.2
361.23822	100.0
362.24179	10.6
551.05829	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14748	1.0
61.98829	8.9
62.21418	1.0
69.38020	8.8
79.76987	1.1
171.51349	1.1
258.81705	1.2
317.21194	100.0
318.21594	11.8
322.93402	1.2
348.86810	1.2
463.13986	1.1
519.55005	1.1
536.36249	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.1
71.01381	2.6
71.51991	1.0
72.99355	0.5
74.46019	0.6
76.75191	0.6
77.21253	0.5
79.95740	4.3
80.96508	1.1
85.02958	1.9
89.02436	0.7
93.03465	1.3
95.95229	45.8
96.96008	48.2
113.02425	1.8
120.99596	1.2
135.04562	0.9
153.51067	0.6
160.01779	0.6
164.01437	4.4
164.04782	1.7
167.01700	1.6
180.04303	0.9
183.10301	3.7
191.05594	11.0
192.99675	4.2
195.06598	1.1
209.11874	0.6
211.00612	0.7
219.07013	3.4
259.02795	0.8
263.05920	100.0
264.06354	5.6
267.07062	0.9
275.02313	1.0
277.81635	0.8
291.80893	0.7
297.15048	0.6
347.64700	0.6
385.05875	2.4
403.39786	0.7
559.27454	1.2
577.28906	0.9
579.68445	0.7
640.25800	0.6
663.16571	4.3
664.17456	0.8
670.26056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37313	1.2
57.03438	3.7
58.00583	1.5
58.99595	2.4
59.01103	2.0
59.01377	23.0
59.25256	1.2
61.98816	1.4
68.99784	1.3
69.49207	9.2
71.01379	22.6
72.99300	5.4
73.02931	3.8
75.00857	13.9
79.95706	1.7
80.02679	6.2
83.01366	2.1
85.02943	21.9
87.00870	11.6
89.02431	6.7
90.77316	1.3
92.70529	1.3
93.03429	1.9
95.01379	4.5
95.22636	1.4
96.96014	18.5
99.00890	8.5
99.04503	5.0
101.02448	3.0
102.98577	7.1
103.00375	1.9
111.04485	1.2
113.02442	29.9
115.00387	1.6
117.01919	3.3
120.98911	1.4
120.99631	8.7
121.06596	1.5
125.02454	1.4
129.01906	2.0
137.02441	1.8
161.04572	3.7
163.00687	1.7
164.04605	1.2
175.02451	1.8
179.05582	3.1
189.12830	20.4
191.05573	9.0
205.07156	2.2
207.13829	9.3
233.11797	6.4
249.06090	8.5
251.12935	7.9
267.07175	21.8
268.07526	1.6
289.18915	1.4
373.19147	1.2
415.19812	3.1
439.19733	18.8
440.20078	1.5
483.18649	7.0
484.19113	1.4
501.19400	8.8
502.19977	1.8
559.27710	2.4
577.28571	2.6
663.25159	100.0
664.25519	14.7
664.38885	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	663.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.0
69.03419	0.3
69.50943	2.3
69.51331	0.6
71.01383	0.6
71.12070	0.3
73.02948	0.5
73.91399	0.3
79.95738	6.3
80.96516	0.5
87.00803	0.4
89.02460	0.6
93.03452	0.6
95.95222	0.4
96.96013	100.0
97.02865	0.4
97.95888	0.5
98.95589	2.9
100.34055	0.3
101.02440	0.7
101.06057	0.5
110.97553	0.6
118.16415	0.4
150.03249	0.3
162.03229	0.7
167.77463	0.3
173.04570	0.7
177.05603	0.9
181.05104	2.5
191.05652	1.9
208.92674	0.3
261.00641	0.4
283.06046	0.6
300.95697	0.3
310.08203	0.4
311.05612	1.8
311.09113	0.8
326.07950	3.8
327.08249	0.6
341.10364	4.0
342.10654	0.4
345.67139	0.3
356.12628	6.9
357.13174	0.5
359.10376	0.3
466.09402	1.6
468.10464	0.4
491.55655	0.3
580.91431	0.4
663.17395	36.6
664.17651	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	663.175
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65921	0.3
69.61299	0.5
69.61721	1.2
74.52653	0.3
74.53143	0.3
79.15331	0.3
79.95737	5.8
88.73648	0.3
93.19741	0.3
96.96008	100.0
97.95936	0.4
98.19773	0.2
101.13992	0.3
110.97581	0.8
119.52584	0.3
150.03233	0.5
165.05501	0.4
166.02698	1.3
181.05072	2.4
267.03082	0.5
283.06256	0.5
295.06192	0.4
296.06918	0.5
311.05566	2.2
311.09183	1.1
326.07855	4.9
327.08188	0.6
340.77118	0.3
341.10272	5.2
342.10556	0.7
356.12604	7.0
357.12952	0.9
451.06476	0.3
466.09262	2.6
574.78168	0.3
663.17505	43.3
664.17780	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	663.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26825	0.2
52.52727	0.3
59.01400	0.3
61.42037	0.2
65.42755	0.3
69.50011	1.0
69.50434	1.0
79.63850	0.2
79.95734	6.5
80.96523	0.5
87.44820	0.3
92.38194	0.2
96.96008	100.0
97.95965	0.4
100.51801	0.2
110.97571	0.4
150.03130	0.3
151.00415	0.4
162.03207	2.1
165.05554	0.3
166.02698	0.9
175.61923	0.3
177.05573	2.7
181.05048	2.6
191.05635	0.4
196.48370	0.3
261.00647	0.3
267.02908	0.4
273.04675	0.3
282.22385	0.3
283.06174	0.5
309.07571	0.3
310.08270	0.3
311.05630	2.3
311.09348	1.0
326.07916	5.0
327.08276	0.5
341.10281	6.3
342.10428	0.8
342.72064	0.3
356.12589	8.4
357.12930	0.8
417.43866	0.4
466.09531	2.5
635.99286	0.3
663.17487	42.4
664.17755	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	661.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.0
61.98846	1.4
71.52231	0.7
78.95904	100.0
85.09064	0.5
89.81181	0.6
96.96960	7.1
103.67642	0.6
152.99585	53.5
153.99924	0.8
171.00633	38.7
185.69878	0.8
201.11258	0.8
209.11823	1.5
227.03296	2.3
245.04321	2.8
279.23203	5.2
306.99878	1.7
363.12213	0.9
381.13354	0.8
409.39832	0.7
433.23605	18.1
434.23917	2.1
489.26288	1.3
504.55429	0.7
507.27405	0.8
569.22845	2.0
643.35901	0.7
661.27551	14.5
661.37128	1.0
662.28033	1.8
684.22742	0.7
685.65576	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	2.5
63.29733	1.9
63.54770	2.3
67.89358	2.4
78.95900	39.3
87.55217	2.1
96.96967	2.7
103.39673	2.1
107.28478	2.4
111.87312	2.8
152.99594	40.3
169.12317	8.9
195.10239	6.3
197.11829	93.7
198.12228	5.2
227.03220	4.1
253.21715	29.4
255.23271	20.0
256.23682	3.6
268.40811	2.4
333.10931	3.7
407.14661	5.0
417.88519	2.5
425.15796	100.0
426.16159	8.7
636.99548	2.6
661.37390	37.6
662.37897	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	661.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73489	0.5
59.01365	1.8
61.71730	0.5
61.98829	4.8
69.23324	2.8
69.23751	2.0
71.01373	0.7
78.95912	0.7
89.02444	1.0
96.96056	0.5
98.20753	0.5
111.15261	0.7
113.02525	0.5
118.57468	0.5
216.62386	0.6
224.61896	0.5
317.21149	0.6
318.21503	0.6
319.22766	100.0
320.23077	10.2
341.10849	2.6
381.47864	0.5
575.95056	0.5
661.44470	93.7
662.44922	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	661.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55428	0.2
58.55114	0.2
59.01381	0.9
69.35499	1.1
69.35909	0.8
71.01373	0.5
73.02930	0.4
79.95735	4.3
80.42582	0.2
85.02937	0.3
96.96008	100.0
97.95935	0.3
98.20760	0.2
99.04513	1.9
101.02420	0.5
110.97590	0.8
123.53248	0.3
151.00433	0.3
158.57214	0.2
165.05608	0.3
166.02704	1.4
166.03882	0.3
172.67714	0.2
175.03976	0.6
176.35269	0.2
181.05054	4.3
181.90388	0.2
185.09677	0.4
191.05548	0.7
193.08699	0.3
215.82784	0.2
222.05280	0.4
235.59854	0.2
247.09819	0.3
253.05005	0.3
261.00638	0.7
261.03528	0.3
265.10812	0.7
265.14413	2.7
277.10898	0.2
281.04462	1.0
296.06839	0.4
307.06119	0.4
309.03995	2.0
309.07593	0.7
324.06348	4.0
325.06653	0.3
336.79395	0.2
339.08682	6.9
340.09225	0.6
341.10205	0.3
354.11017	6.9
355.11453	0.4
370.37894	0.3
464.07602	1.2
661.15881	33.0
662.16156	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	661.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.0
61.98806	0.5
67.63059	0.4
69.74213	2.8
71.01376	2.2
73.02955	1.6
79.95753	4.3
80.96516	0.5
83.01424	0.5
85.02954	1.3
89.02470	0.8
93.03442	0.9
96.96015	100.0
97.45861	0.5
98.19907	1.0
101.02451	1.5
110.97675	0.6
113.02457	0.6
118.96669	0.5
123.08174	1.4
151.00345	0.6
157.39230	0.4
161.02469	0.5
165.05585	0.6
166.02715	1.8
173.04538	1.0
175.03983	0.5
181.05060	4.4
191.05606	6.2
192.05986	0.5
281.04446	0.6
283.11206	0.5
309.04120	1.7
309.07513	0.8
324.06293	3.7
339.08722	6.5
354.11105	6.1
355.11517	0.5
464.07590	1.8
469.15140	0.5
485.24017	2.9
617.27557	0.9
660.35742	1.0
661.15936	31.8
661.33270	1.0
662.16071	5.0
662.24744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82919	1.3
57.44956	1.2
59.01382	85.2
61.05146	1.2
61.98825	2.0
64.49136	1.4
69.03437	1.4
69.43195	2.6
69.43605	6.9
71.01376	13.5
72.99301	1.3
73.02950	13.6
78.95887	2.1
83.01374	3.7
85.02942	4.2
89.02418	6.5
93.03457	2.7
96.96003	3.1
99.00877	1.6
99.04509	1.4
100.53129	1.2
101.02445	14.1
104.32741	1.3
105.07150	1.4
107.05019	1.5
108.02171	2.4
111.04572	1.4
113.02437	7.4
119.03503	3.2
123.08158	12.4
127.09377	1.3
140.16423	1.3
152.01129	3.2
155.10767	11.0
157.08687	4.5
161.04506	1.8
167.07106	3.8
191.05594	6.5
200.12947	6.3
222.24364	1.2
344.17096	4.5
362.18091	3.0
396.79681	1.3
397.41119	1.6
447.11389	3.3
477.48859	1.5
546.59241	1.3
556.31274	2.9
574.32202	3.4
598.32098	4.6
616.33276	100.0
617.33545	15.9
661.20990	2.5
661.31451	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	660.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82919	1.3
57.44956	1.2
59.01382	85.2
61.05146	1.2
61.98825	2.0
64.49136	1.4
69.03437	1.4
69.43195	2.6
69.43605	6.9
71.01376	13.5
72.99301	1.3
73.02950	13.6
78.95887	2.1
83.01374	3.7
85.02942	4.2
89.02418	6.5
93.03457	2.7
96.96003	3.1
99.00877	1.6
99.04509	1.4
100.53129	1.2
101.02445	14.1
104.32741	1.3
105.07150	1.4
107.05019	1.5
108.02171	2.4
111.04572	1.4
113.02437	7.4
119.03503	3.2
123.08158	12.4
127.09377	1.3
140.16423	1.3
152.01129	3.2
155.10767	11.0
157.08687	4.5
161.04506	1.8
167.07106	3.8
191.05594	6.5
200.12947	6.3
222.24364	1.2
344.17096	4.5
362.18091	3.0
396.79681	1.3
397.41119	1.6
447.11389	3.3
477.48859	1.5
546.59241	1.3
556.31274	2.9
574.32202	3.4
598.32098	4.6
616.33276	100.0
617.33545	15.9
661.20990	2.5
661.31451	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	659.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70991	0.4
57.03441	1.5
59.01383	0.8
61.75958	0.3
61.98823	0.5
67.01894	0.4
69.03448	0.5
70.60381	0.5
70.60703	0.6
71.01379	0.7
83.05012	0.8
85.02931	1.0
90.82647	0.3
93.03450	3.2
97.02951	0.8
99.04516	34.9
105.07099	0.5
111.04548	0.5
113.02478	0.4
121.06592	0.5
123.08245	0.4
133.02946	0.4
133.06560	0.5
135.04549	0.6
135.11810	1.5
145.06570	0.8
149.06055	0.9
157.06660	0.7
161.09692	1.4
163.07602	0.5
169.12215	0.5
170.07425	0.4
173.04561	2.3
173.09718	0.6
177.68976	0.3
179.03558	0.4
185.09723	1.4
187.07649	0.7
187.14937	0.5
191.05589	6.6
192.05923	0.5
197.09749	2.1
203.10768	8.2
204.11154	0.4
205.08609	0.4
205.15962	0.6
215.10728	1.1
216.76691	0.4
223.07527	0.5
227.03438	0.7
229.08647	0.4
233.06635	0.4
241.09819	0.5
247.09764	12.5
248.10013	0.5
249.14941	100.0
250.15280	6.5
251.46547	0.4
259.09729	2.9
277.10815	3.4
278.11093	0.5
279.12350	1.6
291.12366	1.1
309.13492	1.0
315.13589	0.8
340.44043	0.4
347.15054	1.6
641.18579	0.8
659.27362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69695	0.5
58.00351	0.5
59.01372	0.6
65.18877	0.4
66.48616	0.5
69.41843	3.9
77.43882	0.5
89.02441	1.2
93.03459	32.7
96.96032	0.6
137.02441	100.0
138.02774	3.6
149.04565	4.8
149.39635	0.5
189.65707	0.5
191.05598	0.8
207.16437	0.5
221.06958	0.5
227.07825	0.6
247.04417	0.5
257.10345	0.8
269.06659	21.7
269.14188	0.5
270.07025	1.6
377.50909	0.5
551.80463	0.5
560.42017	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96378	0.5
53.41077	0.5
59.01381	1.2
61.98831	8.0
65.91895	0.5
70.52721	0.7
70.53059	1.5
78.44145	0.6
78.95898	1.9
86.36964	0.5
88.36788	0.5
89.13244	0.5
93.58698	0.5
96.78559	0.5
99.04543	0.6
101.06094	1.8
111.19457	0.5
122.39250	0.6
152.99608	1.0
171.72836	0.5
191.05450	0.8
261.88000	0.6
266.11349	0.5
271.20609	0.8
277.21698	0.9
279.10669	1.6
281.13901	2.0
317.21194	100.0
318.21558	10.2
365.59113	0.6
460.77420	0.6
618.48676	0.6
657.41364	92.0
658.41687	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	657.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.7
61.98830	2.8
67.72092	0.4
70.64124	1.2
88.98782	0.7
89.02409	0.4
128.08290	0.4
149.06068	0.5
162.83919	0.5
185.25696	0.4
189.80807	0.5
191.05525	1.0
209.11876	0.8
211.13419	0.4
223.16708	0.4
243.17125	0.7
249.14705	0.4
309.20499	0.5
317.21194	100.0
318.21542	10.0
371.05301	0.4
412.21500	0.4
525.20984	0.4
657.41339	92.7
658.41730	20.7
658.53107	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01111	3.0
59.01379	43.1
59.57064	2.5
60.01742	2.8
61.98827	38.8
71.01381	3.0
75.00868	25.2
76.78497	2.4
78.95902	33.5
81.65792	2.6
103.00362	20.8
109.02863	2.3
141.01700	28.2
142.01982	4.6
142.05057	4.6
142.93797	2.5
152.99586	20.3
171.00664	13.1
191.05515	5.5
277.21744	3.1
297.03687	3.8
298.04773	5.8
317.21155	15.3
318.21545	7.2
319.22653	5.7
341.10910	4.7
366.61017	2.7
425.15918	3.1
431.22083	5.4
452.11179	4.6
453.15811	8.6
454.16019	3.3
455.17297	6.8
467.13464	2.5
468.11819	4.2
468.18164	23.4
469.12195	4.1
469.18460	9.0
473.18359	7.8
474.15366	3.0
480.18011	3.5
481.15030	8.5
483.13437	5.1
483.20413	67.8
484.20901	14.1
488.17191	9.6
496.17770	28.6
497.18115	6.7
500.16989	36.5
501.17590	17.7
502.17609	4.0
510.15100	15.3
511.20032	78.6
512.13263	14.8
512.20215	19.7
513.21674	3.9
524.16730	9.4
525.17346	5.7
526.14844	26.9
527.14508	13.0
528.16223	26.2
529.16815	4.5
539.19214	7.8
543.21094	10.3
544.19678	8.9
555.18921	32.9
556.18756	9.8
560.18976	3.4
561.19623	7.5
571.19183	10.3
573.20105	3.7
583.18317	22.0
584.18201	4.3
587.21539	26.4
588.21143	8.1
589.19208	4.2
599.17804	52.6
600.18494	21.8
600.27405	4.5
615.20923	78.7
616.21191	19.4
627.17230	16.9
628.17780	4.1
632.17285	6.3
658.41895	4.6
659.19830	100.0
659.41663	9.5
660.19800	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	657.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.5
61.98818	1.3
67.01886	0.5
68.35094	0.4
71.52680	0.7
79.05540	0.5
80.93050	0.4
81.03467	0.4
82.16491	0.4
89.02457	0.5
95.05019	0.9
96.96068	0.6
101.62120	0.5
107.03768	0.7
108.04563	0.7
120.04545	2.4
121.02917	0.6
121.05373	2.9
122.06121	6.4
130.02989	0.5
134.06096	2.5
135.06927	1.7
136.07683	12.5
139.33408	0.5
152.07182	3.0
161.07195	0.8
171.11800	2.5
186.09340	0.5
186.43991	0.5
190.05063	2.5
191.05592	1.6
191.33305	0.5
198.09247	2.1
199.10059	1.2
209.11745	1.4
211.13376	1.9
214.07468	1.1
214.12378	12.2
223.03781	0.5
225.06798	0.6
226.07410	1.0
227.08330	2.6
228.09045	0.7
229.09824	5.3
230.07137	0.5
230.09898	0.5
230.11879	4.0
239.11859	0.8
240.10205	0.5
241.09813	6.9
242.10587	16.5
243.11011	1.0
256.12186	1.3
257.12943	90.9
258.13303	5.4
293.09247	0.6
300.11249	0.8
301.11920	100.0
302.12274	7.8
303.08417	0.6
325.11682	0.5
355.12994	6.6
356.13547	0.5
460.14908	0.5
462.62781	0.5
553.20911	0.7
613.27203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.5
61.13782	1.0
61.98833	27.1
64.42338	1.1
70.07255	5.2
78.95904	8.9
116.88821	1.0
124.28099	1.0
126.21568	1.1
129.93054	1.0
132.63435	1.0
185.10416	1.1
301.21713	100.0
302.22055	11.1
514.71246	1.1
636.81696	1.3
655.30884	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	657.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28570	0.9
68.22273	1.2
71.01363	2.4
85.02953	1.4
88.55357	0.9
88.82699	1.0
108.02169	46.9
109.02970	15.7
113.02460	1.2
121.02950	1.3
135.04469	1.2
151.04028	1.3
152.01149	41.4
152.93834	1.1
153.01935	19.9
162.65976	1.2
163.03973	1.5
165.01924	1.8
179.03432	1.0
260.02936	1.1
315.07211	100.0
316.07465	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	657.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97406	0.5
64.22976	0.5
68.63682	0.5
69.44283	3.4
69.44693	1.2
73.59992	0.5
75.48089	0.6
79.95734	27.9
135.04512	4.3
138.34869	0.6
146.34113	0.5
149.99559	1.0
163.04001	46.4
164.04379	2.5
171.17523	0.6
178.06342	52.6
179.06746	2.8
193.08687	49.1
194.08975	2.9
258.02103	1.8
273.04373	100.0
274.04724	4.9
657.23706	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.24
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84647	0.6
57.03442	1.8
58.56014	0.7
59.01379	24.3
59.60695	0.7
61.98839	1.1
71.01366	2.2
71.52525	1.1
72.99295	1.9
74.63220	0.7
83.05003	0.7
85.02937	1.6
93.03458	55.0
94.48038	0.8
96.96004	1.4
98.80946	0.7
99.00877	0.8
101.02462	0.9
108.02177	0.8
113.02477	1.0
135.04462	1.1
136.01634	0.9
137.02444	66.8
137.09798	0.9
138.02751	1.7
139.11293	27.1
140.11661	1.1
150.81932	0.8
152.01169	0.8
163.11261	1.3
165.09233	1.2
167.03531	0.9
173.04546	1.2
179.03503	1.2
181.12347	16.2
182.12672	0.9
183.10252	31.3
184.10559	0.9
191.05627	3.6
199.13397	7.1
218.34065	0.9
221.41899	0.8
225.11301	11.9
243.12349	42.1
244.12715	2.3
281.06699	1.6
413.10861	13.4
414.11310	1.3
431.12009	2.6
519.20837	2.5
639.23083	4.3
640.22998	1.0
657.23975	100.0
658.24335	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	655.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63939	0.7
71.13791	0.6
78.95925	0.6
79.95734	25.1
86.93289	0.6
96.96011	2.4
108.02150	0.7
135.04532	5.1
163.04008	41.8
164.04300	2.1
178.06348	48.4
179.06682	1.7
191.05595	1.5
193.08690	40.5
194.09004	2.1
199.03531	0.7
222.52391	0.6
258.02014	1.1
273.04373	100.0
274.04712	5.5
326.24020	0.7
379.91794	0.7
480.86954	0.7
655.22327	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76073	0.6
59.01388	1.0
60.99303	17.0
61.98839	1.6
63.39407	0.6
71.11164	0.8
71.11552	0.6
73.02946	0.8
85.14022	0.6
88.98804	100.0
93.03477	0.6
96.96029	0.9
101.02459	0.6
162.78270	0.6
193.70642	0.6
208.40945	0.6
211.13486	0.7
263.15527	0.6
299.20178	3.1
452.97552	0.7
504.16611	0.6
521.27338	5.8
569.15820	0.9
611.31415	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.9
60.99306	15.1
61.98836	3.8
62.12886	0.5
69.01218	0.5
69.38677	2.4
69.39111	1.7
70.33231	0.4
71.01387	0.8
73.02934	1.5
85.02893	0.5
88.98805	100.0
89.99126	1.0
96.95984	0.6
101.02439	0.9
101.80428	0.6
112.47658	0.5
113.02392	0.7
127.00394	0.8
163.00610	0.6
163.11319	0.6
173.04506	0.7
179.51668	0.6
191.05537	1.1
191.10719	0.5
209.11856	7.3
211.13435	0.6
215.01921	1.3
227.12836	1.0
235.08229	0.7
299.20163	4.1
305.96310	0.5
391.06793	0.8
521.27545	9.1
522.27808	1.3
569.16028	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.3
59.01375	10.4
59.46171	0.8
61.98830	1.3
62.26225	0.8
69.36350	6.6
69.36678	0.8
71.01369	2.5
73.02941	4.2
83.01375	3.7
85.02934	2.1
87.04506	2.1
90.05790	0.7
93.03458	0.9
97.02911	0.8
97.06612	0.8
101.02460	1.4
109.06567	1.1
122.03737	64.1
123.04047	2.5
124.05262	2.2
128.13043	0.7
134.34116	0.7
135.04543	0.9
136.05231	1.0
137.09700	1.0
139.11290	7.7
148.08916	0.7
149.06076	9.7
151.07597	3.9
153.09195	2.2
163.07600	1.2
163.11186	1.2
165.09207	1.3
165.38496	0.7
169.12355	1.7
173.98413	0.7
177.12779	0.9
178.45189	0.8
179.10806	4.7
181.12341	3.9
183.10249	8.3
191.05540	0.9
191.10748	7.5
197.11824	1.5
197.44810	0.8
209.11705	1.3
222.62959	0.8
225.11320	6.0
243.12335	2.1
249.14865	2.1
252.13599	1.3
265.14417	5.1
266.15240	14.5
267.15982	49.5
268.16367	2.4
291.12231	0.9
329.13989	1.5
387.16559	1.2
411.20258	3.6
433.25815	2.8
556.40472	0.8
637.32672	3.0
655.33313	100.0
656.33655	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	653.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28609	0.3
53.76968	0.3
55.01881	1.4
57.03442	1.1
58.00590	2.2
59.01377	42.6
60.01705	0.6
61.98835	0.5
68.99831	0.4
69.03449	2.1
71.01377	35.4
72.01714	0.5
72.99312	3.0
73.02945	6.0
75.00875	0.8
76.55021	0.3
78.95908	0.4
81.03472	1.7
83.01391	4.6
85.02949	8.3
86.00094	0.4
87.00877	9.7
89.02442	32.8
91.04000	0.5
93.03465	0.5
95.01404	2.0
95.05043	0.4
97.02942	5.8
98.19940	0.7
99.00880	2.2
99.04515	0.4
101.02439	29.0
102.02748	0.6
103.04016	0.6
109.02921	0.7
111.00858	0.7
111.04523	1.3
113.02445	13.9
115.04018	0.9
119.03495	10.2
121.02943	0.6
123.00900	0.4
124.01665	0.5
125.02439	13.5
126.02804	0.4
126.29337	0.3
127.04015	0.7
131.02641	0.3
131.03429	1.6
133.05101	0.9
136.94792	0.4
137.02553	0.4
139.04016	1.2
141.01962	0.5
143.03490	6.1
149.02362	0.4
149.04578	1.1
161.04553	7.0
167.03482	0.7
169.05093	0.4
179.05603	6.0
185.04643	0.8
199.06017	0.5
203.05557	0.5
208.96120	0.3
217.07220	0.6
217.20328	0.4
221.06606	2.9
235.08195	12.5
236.08481	0.9
237.22217	0.4
245.06622	0.8
253.09233	3.5
255.23267	100.0
256.23636	8.8
263.07767	1.5
269.24762	0.8
277.09293	0.9
279.23395	0.4
280.10779	0.4
287.07693	3.5
304.08023	0.3
305.08774	4.2
308.83737	0.3
323.09665	2.0
361.11310	0.7
379.12329	1.2
397.13464	82.0
398.13788	7.1
398.18619	0.6
415.14536	33.8
416.14850	2.6
535.58124	0.4
595.28583	0.6
653.37585	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
66.34743	2.1
71.51671	2.4
86.53852	1.9
171.10172	3.8
315.33276	2.4
328.90918	2.2
342.40146	1.9
368.59497	2.3
383.15558	2.3
397.99680	2.4
402.39642	2.1
422.17603	2.1
511.61136	2.1
649.76276	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	654.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02709	1.0
58.02976	10.5
58.33256	0.5
58.52187	0.5
59.01375	1.0
59.78100	0.5
61.98814	2.7
69.26460	5.2
70.02975	4.2
71.01387	1.7
72.00912	3.0
77.50800	0.5
81.95347	0.6
91.05523	3.5
93.03474	1.2
96.96002	3.5
98.95603	1.3
103.05575	0.6
121.02951	1.1
124.97152	0.5
135.04533	0.6
147.04518	19.9
148.04828	0.7
153.48923	0.5
164.07161	59.8
165.05566	1.1
165.07454	2.1
179.07037	1.0
191.05573	3.0
206.08214	100.0
207.08530	4.9
221.19772	0.6
250.07207	0.7
311.39029	0.6
313.04617	0.7
362.25354	0.6
442.50558	0.6
580.45990	0.7
654.18005	2.4
671.46185	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.3
59.01377	2.6
69.27145	16.3
71.01373	2.4
73.02928	2.0
75.46335	1.8
79.50026	1.9
81.03421	3.0
83.05022	2.6
85.02950	3.0
88.93569	1.6
95.04981	2.0
99.04520	100.0
100.04871	2.9
105.07111	2.9
107.04999	6.4
119.05009	9.3
121.06604	2.5
129.07115	2.2
131.04971	2.3
133.02823	1.9
133.06606	2.7
135.04486	4.1
139.07562	2.1
139.11273	1.8
143.04977	4.0
144.05814	3.5
145.06584	2.5
147.08150	19.3
149.06073	7.9
156.05836	2.6
157.06554	8.6
159.08160	34.1
161.06035	3.5
163.11307	3.1
164.04793	2.0
165.12788	2.8
167.08661	2.4
169.06519	2.4
171.08127	10.2
173.06038	3.9
175.07619	5.6
177.09218	7.5
183.08170	12.2
183.09703	2.2
185.06053	3.0
185.09692	2.1
186.06880	3.3
188.04826	2.1
189.05568	3.2
189.09099	3.1
191.05429	2.4
191.07066	4.8
195.08165	8.4
197.06017	2.4
198.06807	10.8
201.05542	8.1
201.09190	17.8
203.07143	27.5
209.11809	48.2
210.12102	3.2
213.09201	31.3
215.07045	6.1
219.10205	16.3
220.10567	2.2
221.08235	4.2
227.07146	2.8
227.12866	16.1
231.10240	21.3
232.10548	2.0
239.07143	4.0
245.08151	28.0
246.08521	2.1
249.11290	19.4
257.08142	20.2
263.09174	7.6
275.09247	31.8
276.09470	2.2
293.10324	31.4
294.10574	3.0
311.11395	4.5
393.15533	7.5
469.66208	2.0
596.79272	2.3
653.21143	3.0
653.31323	3.8
654.31714	2.5
659.25720	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	653.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67522	0.6
55.01874	2.2
57.03442	1.2
58.00594	1.5
59.01382	38.6
61.98828	9.3
69.03446	2.1
70.23099	0.8
71.01382	33.6
72.99297	2.9
73.02945	7.2
78.66948	0.7
78.95892	0.8
81.03448	1.3
83.01376	3.4
85.02958	7.2
87.00878	8.6
87.46590	0.8
89.02445	33.9
90.02770	1.2
95.01380	2.3
97.02954	7.3
99.00895	1.0
101.02443	28.9
111.00885	1.1
111.04558	0.9
113.02444	14.5
119.03505	10.9
121.02991	1.0
125.02434	11.8
131.03445	1.5
133.05093	1.0
139.04001	1.3
143.03500	6.9
161.04559	8.8
164.04790	4.5
179.05588	6.9
179.07149	4.7
192.35062	0.8
217.07140	1.4
221.06656	2.8
235.08243	13.8
245.06674	1.1
253.09282	3.2
255.23291	100.0
256.23572	7.2
263.07730	1.4
277.09186	0.7
287.07800	3.6
305.08667	3.5
317.69031	0.8
323.09958	1.9
361.11209	0.9
397.13486	85.9
398.13852	7.1
415.14545	32.5
416.14825	2.9
501.22586	1.1
545.21991	8.1
546.21924	1.6
574.61273	0.8
575.83240	1.0
621.23553	4.0
633.32251	1.0
644.13959	1.0
645.63361	0.9
653.25854	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18066	0.4
55.01876	0.5
57.03442	2.0
58.00573	0.4
59.01379	22.4
69.47266	1.0
69.47665	2.5
71.01373	2.6
73.02953	6.6
76.47864	0.5
83.01392	5.7
83.05051	0.9
85.02960	1.9
87.04532	1.3
93.03489	0.6
95.05034	0.9
97.02924	0.7
97.06580	0.6
98.20672	0.8
99.04502	0.5
101.02441	2.6
108.02160	0.7
109.06613	1.3
113.02480	0.5
121.06553	0.6
122.03734	15.0
123.04527	1.2
125.06074	0.7
134.03758	5.1
135.04507	2.0
136.05302	1.6
137.06136	1.1
138.19133	0.4
139.07635	0.8
139.11290	14.2
148.05293	3.1
149.06071	19.4
150.06859	1.2
151.07634	2.9
151.11255	1.0
159.04570	0.8
161.06071	3.7
161.07198	0.6
161.09703	1.2
162.06854	1.6
163.07671	1.6
163.11296	1.9
164.04745	0.5
165.09309	1.0
167.10780	0.8
169.12323	1.8
171.27287	0.6
173.06021	0.7
173.09700	1.1
174.06810	0.5
175.07614	2.0
176.08417	71.9
177.08920	4.0
178.10016	0.5
179.10773	2.4
180.27402	0.4
181.12334	5.1
183.10255	17.5
183.11868	1.0
185.13350	1.1
187.07661	1.1
189.09183	3.8
190.09998	6.5
191.10768	48.0
192.11115	2.8
193.08809	0.5
197.11803	1.4
199.07719	0.5
199.13390	1.3
205.08653	3.2
207.10176	0.7
213.09206	1.4
214.09956	1.9
217.12358	0.7
225.11327	12.0
226.11668	1.0
227.10753	0.9
229.12315	3.3
231.10135	1.1
233.72615	0.5
234.12654	0.5
235.13423	1.1
243.12373	7.1
247.13382	1.6
249.11314	1.3
263.12766	1.0
264.13629	3.8
265.14423	30.6
266.14871	2.6
267.12369	1.0
282.67563	0.5
285.13510	0.7
291.12479	2.3
327.14407	1.8
343.41333	0.4
369.15433	0.6
387.16547	2.0
409.18732	0.9
449.81522	0.5
593.29797	0.8
635.30652	6.6
636.31055	0.7
653.31744	100.0
654.32092	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	653.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94774	0.5
76.45242	0.6
76.53436	0.5
79.95735	25.2
79.96207	1.3
84.62290	0.6
96.95996	0.6
98.20668	1.2
101.49698	0.6
135.04507	4.1
159.83339	0.5
163.04005	45.5
164.04352	1.9
178.06346	49.9
179.06671	2.1
193.08691	44.9
194.09024	2.1
258.01996	1.1
273.04382	100.0
274.04739	6.5
298.25748	0.7
353.01205	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75105	0.5
57.03439	1.7
59.01377	23.3
60.20108	0.6
61.17409	0.5
61.98822	0.6
65.50436	0.4
71.01382	3.3
71.13203	0.5
73.02601	0.6
73.02944	6.0
80.74915	0.6
83.01400	4.7
83.05022	0.8
85.02930	2.1
86.65038	0.5
87.04500	1.7
88.11182	0.5
93.03469	0.5
94.46839	0.5
95.05012	0.5
96.96010	0.7
97.02928	0.8
97.06584	0.5
99.00846	0.5
99.04498	1.0
99.92628	0.5
101.02430	2.9
108.02186	1.1
109.02923	0.5
109.06578	1.5
111.04527	0.7
112.74072	0.4
113.02449	0.7
121.06588	0.5
122.02909	0.8
122.03739	12.0
122.04582	0.4
123.04543	0.9
125.06068	1.0
134.03709	3.9
135.04549	2.4
136.05289	1.5
137.06091	1.1
137.09673	0.8
139.07640	0.9
139.10217	0.8
139.11278	13.9
147.04552	0.6
148.05246	2.4
149.06078	16.1
149.09665	0.6
150.06815	1.6
151.07626	1.8
151.11205	1.4
159.04442	1.2
161.06073	3.7
162.06836	1.7
162.47958	0.5
163.03920	0.5
163.07614	2.2
163.11252	1.5
165.09161	1.8
169.12279	1.9
173.09698	0.8
175.07585	0.8
176.08417	56.8
177.05511	1.1
177.08905	4.1
179.10738	1.6
181.12332	6.7
183.10245	17.2
183.11859	1.0
184.10522	0.9
185.13254	0.7
187.07635	0.8
189.09201	4.4
190.09993	5.6
191.05643	0.9
191.10770	38.1
192.11058	1.7
195.13867	0.6
197.11838	0.5
199.07733	0.6
199.11610	0.5
199.13449	1.5
205.08693	3.8
207.10342	1.0
214.09938	1.4
216.51494	0.5
217.12308	1.1
220.10596	0.5
225.11320	11.3
226.11646	0.8
229.12302	2.4
235.13306	0.7
243.10101	0.9
243.12354	9.4
244.12668	0.8
247.13368	1.0
249.11252	1.4
263.12970	0.6
264.13583	4.0
265.14423	29.8
266.14767	2.2
267.12460	1.2
267.15933	0.9
283.15723	0.6
291.12256	1.1
327.14438	1.7
355.46783	0.6
387.16602	2.5
409.18643	1.5
431.24783	0.6
635.30914	6.0
653.31763	100.0
654.32153	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	651.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.0
59.01378	29.2
64.36910	1.0
65.78241	1.0
67.01898	1.0
68.29458	0.8
71.01377	14.9
71.52563	1.4
72.99325	2.3
73.02950	1.8
75.00868	9.7
75.31867	0.9
79.95747	1.5
85.02948	15.3
87.00883	5.5
89.02434	4.4
93.03452	1.6
95.01390	2.6
96.96008	6.5
98.95567	1.4
99.00865	6.3
99.04513	2.7
101.02458	1.5
103.00396	1.6
108.02179	7.9
109.02969	2.1
113.02452	20.0
115.00373	1.9
117.01928	1.4
118.53901	0.9
126.96156	0.9
129.01941	1.4
136.99156	1.2
149.04547	4.8
152.01134	13.2
157.01442	0.9
165.12833	2.2
173.04561	1.1
175.02464	2.0
177.05534	1.7
177.09224	1.1
179.03412	1.0
189.12848	1.5
191.05638	9.7
207.13910	5.0
209.11763	4.7
221.08159	1.7
231.04985	1.4
249.06140	8.8
251.12895	1.3
266.16794	0.9
267.07211	20.8
269.13907	1.8
296.28702	0.9
299.49701	1.1
343.17526	1.6
353.76227	0.9
429.10471	1.5
446.53812	0.9
457.21466	1.6
459.18573	2.7
471.09244	1.0
501.19757	2.4
513.14069	1.6
514.14276	1.0
519.20813	100.0
520.21063	12.4
651.26428	25.9
652.26514	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	651.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96059	1.4
57.03440	3.7
61.98822	2.9
67.03885	1.4
71.53121	2.1
78.95906	58.7
86.56611	1.4
96.96949	5.6
97.06573	13.0
123.08140	6.6
125.09722	94.0
126.10036	4.1
152.99585	100.0
154.00008	1.8
159.21693	1.6
166.83531	1.4
169.08636	2.8
171.00632	8.7
187.09756	94.8
188.10042	4.2
227.03145	4.7
245.04485	2.1
266.75644	1.6
302.13400	1.6
323.09003	12.5
397.12689	22.6
398.12772	2.5
415.13754	84.6
416.14066	3.0
456.73065	1.5
613.64307	1.7
625.24304	1.7
651.35010	74.1
652.35297	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	653.1892
Annotation	Haedoxan A
Peak:m/z	Relative Intensity
50.52780	0.7
50.67770	0.7
57.22685	0.7
58.09466	0.6
59.01371	2.9
69.40285	4.7
71.01383	1.7
79.95735	43.1
80.96520	3.8
83.01405	0.6
89.02441	0.9
93.03474	1.0
94.98092	0.9
95.95235	30.2
96.96009	100.0
101.02470	1.2
109.02941	1.7
110.97573	2.4
121.02958	6.1
122.97577	21.3
135.04485	0.8
136.01631	2.2
141.95753	1.4
149.02458	4.9
150.03244	3.9
151.04004	2.2
152.56798	0.6
161.02417	1.0
162.03198	1.8
164.04810	4.8
165.05586	4.6
166.06349	20.8
166.07735	1.5
167.06728	1.0
175.07690	1.4
177.05583	1.9
179.03679	0.7
179.05672	0.6
179.07086	0.9
179.82089	0.7
181.08701	4.9
191.05536	1.0
195.06535	1.6
201.02301	0.8
241.07866	0.6
244.00636	0.8
257.11487	1.5
287.02274	1.3
307.28983	0.7
308.95953	0.7
468.15033	0.8
471.09641	18.4
472.10123	1.3
653.19025	88.8
654.19348	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	649.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16582	0.6
57.03433	0.7
58.39890	0.7
59.01377	1.2
60.54852	0.7
61.98830	6.1
69.31700	4.7
78.36925	0.7
78.64314	0.7
80.58086	0.7
88.97868	0.6
95.05019	0.8
98.20605	1.0
111.08130	1.0
122.94434	0.6
149.06122	0.8
191.05637	0.8
197.11861	4.3
233.11581	5.7
273.14807	0.8
291.19757	0.9
309.20801	5.2
313.17853	2.3
317.21194	100.0
318.21429	9.1
331.19025	2.6
334.60016	0.7
649.40851	43.7
650.41168	9.2
674.94397	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
68.82170	0.5
69.49286	1.2
69.49690	2.9
76.73296	0.6
79.95734	47.8
80.96517	5.1
94.98069	1.5
95.95228	22.9
96.52694	0.6
96.96008	100.0
98.20603	1.3
106.60326	0.6
109.96746	0.6
110.97569	2.6
122.97581	24.9
123.04587	0.9
135.04507	2.2
136.01659	1.9
141.95744	1.1
145.02924	1.7
146.03729	38.7
147.04451	2.8
149.02415	6.1
150.03204	5.7
151.04001	2.0
161.06091	11.8
162.03201	1.8
163.04031	1.7
164.04784	34.6
165.05533	5.5
174.70506	0.6
177.05554	3.7
179.03600	0.8
179.07140	22.1
180.07492	0.6
195.06609	1.3
201.99890	0.6
240.79086	0.7
244.00543	0.9
257.01215	1.7
274.01440	0.9
275.02417	1.0
287.02405	2.5
313.10876	1.3
343.11996	0.8
352.60168	0.7
388.24347	0.8
441.08679	0.8
471.09637	44.9
472.09912	5.4
512.01923	0.6
651.17468	86.1
652.17670	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	651.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74302	0.4
57.01468	0.3
57.03440	2.8
58.00613	0.4
59.01377	35.2
63.25726	0.4
67.01897	0.7
68.99829	0.8
69.03461	1.7
69.34370	0.7
69.34776	2.5
71.01377	15.8
72.99305	3.3
73.02967	1.6
75.00868	11.6
76.64474	0.4
79.95758	1.0
80.02689	0.6
81.03450	0.4
83.01385	1.1
83.05025	0.8
85.02948	17.0
87.00874	7.0
89.02448	4.5
91.04009	0.8
93.03466	0.5
95.01392	4.5
96.96029	1.7
97.02976	0.7
99.00883	9.2
99.04517	3.3
101.02460	1.1
103.00372	2.0
109.06620	0.5
111.00896	0.9
112.01676	0.6
113.02451	22.8
114.02776	0.4
115.00379	2.1
117.01954	1.5
121.06622	0.8
129.01898	2.0
131.03510	1.0
137.02380	0.4
137.75401	0.4
149.04536	2.5
157.01433	1.0
164.04735	0.4
165.12865	2.9
175.02499	1.9
189.12849	2.9
191.05606	0.8
191.10818	0.7
205.07191	0.7
207.05087	1.0
207.13916	5.1
209.11821	6.1
225.15002	0.6
231.05110	1.0
232.92192	0.4
249.06133	10.3
250.06435	0.6
251.12856	1.0
267.07190	24.3
268.07538	1.0
269.13852	2.6
275.02206	0.6
343.17499	2.4
364.79663	0.4
457.20807	1.3
459.18701	1.7
501.19965	2.7
502.20248	0.5
519.20770	100.0
520.21118	11.2
633.24176	0.8
651.25006	46.6
652.25262	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	651.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90264	0.9
57.01668	1.0
57.03442	3.3
59.01380	31.2
69.34091	8.9
71.01380	17.7
72.99307	3.8
73.02967	3.1
75.00874	11.8
83.01379	1.3
85.02956	20.4
86.44185	0.9
87.00877	7.3
89.02442	7.7
91.04027	1.0
92.36015	1.0
95.01376	3.9
95.41872	1.0
96.96008	6.5
98.20603	1.8
99.00869	8.1
99.04502	1.2
101.02441	1.9
103.00345	2.7
109.06583	1.3
113.02456	29.0
117.01925	1.6
121.67910	1.0
129.01953	2.7
149.04556	4.5
165.12833	2.2
175.02431	1.5
189.12910	2.8
191.05614	5.5
191.10822	1.7
207.13899	3.1
209.11835	3.3
231.65576	1.0
243.23866	1.5
249.06114	6.3
267.04324	2.0
267.07202	32.8
268.07645	1.6
269.13922	2.4
343.17587	1.5
386.65036	1.3
415.19595	1.5
501.19724	2.5
519.20795	100.0
520.21021	10.6
651.25067	47.7
652.25745	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	649.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11068	0.3
58.74236	0.3
59.01377	1.7
61.98824	0.5
70.33304	1.1
71.01393	1.3
75.00898	0.5
79.95739	7.6
80.96535	0.8
85.02958	1.6
86.98537	0.3
89.02475	0.9
93.03479	0.4
94.98138	0.4
95.01432	0.4
95.95236	2.6
96.96014	21.0
101.02467	0.3
106.04297	0.5
110.97592	0.7
113.02437	2.0
120.02248	0.4
122.97593	2.5
133.02986	0.6
134.03746	3.3
135.04442	0.5
149.02490	0.6
149.04575	0.5
150.03239	0.7
161.02449	1.3
162.03226	100.0
163.03564	4.6
164.04788	0.7
165.05554	1.0
177.05565	88.5
178.05916	3.6
179.03471	0.5
179.10841	0.3
186.59814	0.3
191.05600	1.1
239.23906	0.4
249.06067	0.4
257.84769	0.3
263.06018	0.3
267.07050	1.5
281.08725	0.7
471.09622	8.5
487.18091	0.6
517.19519	2.8
523.62231	0.4
585.00403	0.3
649.15662	23.4
650.16156	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	649.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
57.03445	2.8
58.00574	0.7
59.01377	17.9
67.15983	0.6
68.99815	0.6
69.03476	1.0
69.46899	0.5
70.82243	0.8
70.82603	1.1
71.01381	22.6
72.99307	4.7
73.02947	2.5
73.53234	0.5
75.00871	12.1
79.95739	0.7
83.01395	2.8
85.02949	21.0
87.00882	6.3
88.94854	0.7
89.02447	8.1
95.01391	4.1
96.32083	0.7
96.96007	2.8
97.02977	0.7
99.00880	7.4
99.04537	0.6
101.02436	4.9
103.00391	1.5
111.00883	0.7
113.02451	24.1
115.00373	1.3
117.01893	1.2
119.03493	1.1
129.01935	1.4
129.61823	0.6
135.04480	0.6
149.04581	0.6
151.64626	0.7
157.01418	0.9
163.04013	0.8
175.02463	1.5
191.05643	1.1
193.08693	1.1
205.07181	1.3
207.05077	0.8
211.28947	0.5
232.31543	0.6
236.95958	0.7
247.96298	0.6
249.06117	8.2
249.47070	0.5
267.07169	17.1
273.04343	2.2
314.51834	0.6
363.83340	0.6
383.89127	0.5
399.20224	3.1
460.34406	0.6
487.12329	0.7
622.54578	0.6
631.26141	2.1
649.27112	100.0
650.27435	15.1
650.38641	1.0
657.55511	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45583	2.8
56.81163	3.1
57.19692	3.1
61.98800	4.0
71.52499	4.1
78.95904	58.9
95.05012	3.4
97.02950	4.4
97.80113	3.2
100.50763	3.6
110.98524	29.8
125.09728	5.1
152.99567	35.8
155.55692	3.7
163.11276	10.3
167.01093	14.2
171.10262	21.5
179.10780	4.0
181.12329	15.3
183.10185	5.3
185.11861	41.3
199.13420	17.4
207.10277	28.2
225.11314	64.1
243.12343	35.3
253.21707	10.5
255.23276	80.4
393.12964	9.4
399.14178	10.2
413.15643	36.6
423.25021	6.9
631.36511	16.2
649.37103	100.0
650.37396	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	647.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08328	0.6
55.01896	0.9
57.03464	2.0
59.01378	8.6
61.67350	0.7
65.12799	0.7
67.01907	1.3
68.99840	1.9
69.03477	2.7
71.01379	14.7
72.99327	0.8
73.02965	1.2
80.02718	2.7
81.03471	0.7
83.01411	1.5
83.05039	0.9
85.02947	14.6
87.00878	5.9
89.02484	1.8
90.57476	0.7
91.04040	1.0
93.03493	1.4
95.01397	3.7
96.96027	1.2
99.04559	2.8
101.02448	1.4
103.00372	1.7
107.05044	1.1
109.06628	0.7
111.00896	1.8
112.01688	0.9
113.02443	21.0
120.05843	1.7
121.06615	3.3
129.01959	1.6
137.65950	0.7
139.00352	1.2
149.04521	1.9
157.01427	1.6
163.14992	1.2
189.12848	16.7
190.13243	1.0
191.05579	1.5
205.07214	2.0
207.13879	8.9
208.14464	0.8
249.06137	2.8
251.12845	13.8
263.07733	5.7
281.08743	10.8
325.16467	6.1
439.19507	3.7
457.20639	1.1
473.51215	0.8
483.18762	7.8
515.21326	100.0
516.21625	11.2
612.47760	0.8
647.25525	46.5
648.25836	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	647.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89966	0.9
57.03442	1.0
59.01376	34.7
61.98834	4.2
69.21862	0.9
69.72799	4.5
71.01379	20.3
72.99312	1.3
74.02473	1.2
78.14146	0.7
79.95740	4.1
82.97244	0.8
83.01388	1.3
85.02943	5.2
87.00883	2.2
89.02442	22.0
89.02998	1.2
95.01376	2.1
95.95238	2.4
96.96004	11.1
101.02447	14.2
113.02451	7.5
119.03497	10.6
135.04588	1.1
142.08693	1.1
161.02469	1.0
167.03485	1.1
173.04460	1.4
179.03448	1.7
179.05679	1.1
191.05638	3.2
194.05952	1.8
200.02333	1.1
201.07695	1.3
206.16801	0.8
209.08139	1.6
261.08777	1.4
283.15610	1.4
323.13461	100.0
324.13834	6.2
437.07712	1.2
647.15881	7.1
648.16626	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.1
61.98809	2.6
62.85041	0.6
68.66763	0.7
70.62352	1.9
70.74517	0.7
73.56202	0.7
79.95737	22.4
80.96512	3.1
89.31230	0.7
93.03447	1.4
94.98089	1.5
95.94609	1.2
95.95235	32.7
96.96011	93.3
97.95975	0.9
105.03432	2.7
110.97597	1.7
122.77106	0.8
122.97578	12.1
133.02924	1.9
137.02448	1.2
137.64824	0.8
147.04489	0.8
149.02438	1.2
150.03160	1.2
151.04010	9.5
161.02437	41.2
162.02975	1.7
164.04799	1.7
165.05547	1.5
172.39803	0.7
176.04779	27.4
177.05508	3.7
179.03488	76.6
180.03874	2.1
191.05556	1.6
191.07135	11.3
192.07521	0.9
194.05830	80.2
195.06180	3.3
202.87007	0.7
205.42534	0.8
209.08177	67.9
210.08450	4.2
275.02338	4.4
305.03357	1.2
437.07559	39.9
438.07748	3.6
459.25327	0.8
485.10889	1.0
622.22144	0.8
647.16455	100.0
648.16888	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	647.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.0
57.03438	3.1
59.01382	12.8
61.98823	1.4
67.01907	1.7
68.81684	0.8
68.99825	1.3
69.03448	3.8
69.55875	4.7
71.01013	1.4
71.01385	21.7
73.02940	2.6
80.02680	10.2
82.17892	0.9
83.01400	1.9
85.02954	24.5
87.00886	7.9
89.02441	10.3
91.03973	1.4
93.03472	1.0
95.01388	4.0
96.95980	4.7
97.23238	0.8
98.19897	1.8
99.00859	1.0
99.04527	7.7
101.02441	1.5
103.00364	1.5
103.04023	2.1
107.05046	1.0
111.00864	1.4
113.02459	28.9
113.03242	1.5
121.06557	1.0
127.04029	1.2
129.01924	2.0
131.55609	1.0
139.00346	1.1
149.04567	24.2
157.01424	1.7
184.17413	1.0
189.04019	1.1
189.12860	25.1
190.13171	1.8
191.05627	2.9
205.07130	2.8
207.13922	11.3
233.11902	7.0
249.06149	4.3
251.12920	8.1
263.07755	6.2
281.08780	19.6
325.16653	6.9
381.22098	1.1
439.19843	2.9
440.23364	0.9
457.20853	1.7
483.18475	7.3
497.20230	7.4
515.21350	100.0
516.21680	14.9
647.25629	40.8
647.35858	0.9
648.25574	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	647.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.4
61.29596	0.5
61.98825	2.5
62.00609	0.6
64.97038	0.7
69.55397	2.2
69.55827	1.7
70.68425	0.6
74.93564	0.6
75.55199	0.6
79.95737	45.7
80.96516	4.7
87.29228	0.6
90.89282	0.5
94.98095	2.5
95.95234	22.2
96.96011	99.8
110.97575	2.1
122.97585	29.5
124.17659	0.6
125.46090	0.6
135.04518	1.3
141.95790	1.5
145.02945	2.1
146.03737	41.6
147.04245	1.8
151.03926	0.7
161.06076	11.5
163.03932	1.4
164.04788	30.4
165.01918	1.5
165.05127	1.1
166.02707	1.3
175.04062	0.7
177.01944	1.7
177.05553	0.6
179.03532	6.3
179.07129	26.5
180.04237	1.6
180.07503	1.2
181.05167	0.7
190.94669	0.6
191.05603	1.0
192.04294	2.4
194.05809	6.5
195.06612	2.5
207.06654	3.8
208.07312	0.6
209.04628	0.6
209.08176	1.0
274.01917	0.7
287.02631	0.7
289.00238	1.1
305.03326	5.8
319.29230	0.7
453.44519	0.7
467.08615	45.9
468.09103	3.0
485.11090	5.1
647.16467	100.0
648.16852	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	647.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.8
68.91164	1.0
71.51903	1.4
79.41568	1.1
79.95289	1.9
79.95734	31.2
80.26865	1.1
80.96513	6.4
83.23882	1.0
84.43763	1.1
85.06583	1.1
93.03451	1.7
94.98063	2.5
95.95229	36.5
96.96008	85.8
97.96001	1.2
105.03433	3.4
110.97610	2.5
122.97580	21.7
123.04494	1.3
126.11430	1.0
131.07123	2.8
133.02924	2.4
149.02451	1.8
150.03189	1.3
151.04001	11.2
160.31195	1.2
161.02443	40.8
162.03224	6.1
163.03906	1.1
164.04807	2.1
164.56627	1.2
165.05557	2.8
173.08127	2.0
176.04782	28.7
177.05591	8.6
179.03488	74.5
180.03804	2.2
191.05626	1.9
191.07115	13.0
194.03949	2.2
194.05821	72.3
195.06239	3.9
209.08191	77.1
210.08507	4.8
217.10718	4.0
257.01169	2.0
261.03781	1.3
275.02271	5.1
283.15295	1.7
333.06290	1.2
437.07565	73.8
438.07977	7.2
485.11246	2.2
620.80023	1.2
647.16443	100.0
648.16779	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	645.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.6
56.94870	0.9
57.03432	4.2
59.01377	17.3
61.98822	1.4
67.01888	3.1
68.99802	1.8
69.03446	4.0
69.16245	5.9
69.16661	3.1
71.01380	30.7
72.99294	1.3
73.02948	7.4
74.27690	0.9
79.05508	1.7
83.01387	2.1
85.02949	26.6
86.04920	0.8
87.00878	12.1
87.39078	0.9
89.02445	29.0
93.03412	1.0
95.01368	6.5
96.96004	1.6
97.02944	1.0
98.20704	1.3
99.04527	2.3
101.02438	4.2
102.33038	0.9
103.00384	2.0
103.04016	8.3
107.05003	2.4
111.00881	2.7
111.94781	0.9
112.01640	1.6
113.02443	36.6
122.06065	0.9
129.01935	1.6
131.03505	2.6
135.04431	1.1
136.07658	2.4
139.00391	2.0
149.04553	100.0
150.04875	2.2
161.13358	24.5
187.11267	8.8
191.05634	4.4
205.07143	6.2
205.12329	18.3
206.12578	1.7
214.12372	1.1
231.10039	1.7
242.10590	1.4
249.06067	4.3
257.12961	11.5
263.07672	9.4
281.08755	41.0
282.09036	2.0
301.11899	11.9
323.14926	2.3
437.18567	1.6
469.20755	46.6
470.21552	4.5
473.74158	1.0
495.18753	9.4
513.19788	34.1
514.20056	3.8
549.80963	1.0
584.29272	1.1
645.23938	42.5
646.24646	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	643.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.7
61.98829	1.0
71.01382	2.7
71.52864	1.2
73.02955	2.2
78.27588	0.6
79.95744	1.2
80.05046	1.2
83.05040	0.8
85.02962	2.1
87.00925	0.6
92.41643	0.6
93.03457	4.0
94.06615	6.4
96.96014	3.1
97.06525	0.7
99.00835	0.7
99.04509	1.5
101.02451	2.1
102.98577	0.8
104.05040	0.9
106.06612	2.4
107.03774	11.2
108.04543	0.9
113.02444	1.7
120.04552	1.9
120.08194	16.6
121.05331	0.8
122.06121	90.4
123.06471	2.9
124.07701	1.6
132.04556	3.0
134.03745	2.5
134.06129	8.7
136.04036	0.7
136.07668	1.9
136.88805	0.7
137.04828	1.3
139.02748	3.9
148.04024	1.1
149.04704	0.6
149.06081	1.0
150.05597	2.2
152.07169	100.0
153.07529	3.4
160.04037	2.5
161.04636	1.2
162.05629	1.4
164.03561	0.9
164.07162	1.8
166.05075	1.0
173.04546	4.3
174.05591	1.6
176.03542	0.9
176.08453	1.3
186.62321	0.8
189.09126	0.7
190.05095	2.5
191.05611	12.0
191.10915	1.1
192.05904	0.9
193.04944	0.9
197.11906	1.2
200.07213	1.1
203.55333	0.7
209.11801	2.8
210.07977	0.9
211.08702	1.0
211.12386	1.6
221.10823	1.9
222.07968	0.7
223.08740	12.4
224.09515	6.1
225.10303	4.6
227.12961	0.6
235.08691	0.9
235.12331	3.4
236.09529	2.2
237.10329	18.2
238.11017	8.8
239.11880	15.5
241.13283	1.6
245.12978	3.4
248.09497	0.9
249.06673	1.2
249.10782	3.6
250.07341	1.2
251.08331	4.4
251.11893	7.9
252.08698	0.8
252.12402	1.3
253.13499	0.7
263.08258	4.9
263.11496	1.2
264.09036	7.9
264.11734	1.0
264.12775	0.7
265.09897	8.1
265.14404	1.5
266.10452	1.8
267.11407	2.4
269.12894	0.8
271.10852	7.4
276.09021	1.2
277.09845	2.8
278.10513	3.2
279.11356	33.9
280.11838	3.9
281.12860	3.5
283.10812	3.0
285.12473	1.1
291.11383	8.6
292.12003	2.1
293.12744	1.2
295.10800	3.5
295.14169	1.1
305.09167	1.3
306.14127	0.6
309.12357	0.8
310.13251	0.9
311.13782	1.0
313.11896	1.7
323.10321	7.3
324.11011	1.9
325.12039	4.5
326.12463	1.2
341.11438	0.8
342.12344	0.9
343.08527	1.5
355.12997	2.8
356.13876	1.0
357.14529	1.1
358.19305	1.1
359.16177	1.3
360.12900	0.9
360.17035	5.1
370.15384	0.9
372.17517	1.5
374.18756	0.8
376.20206	1.1
385.18433	0.8
386.14651	1.2
386.19028	0.8
388.16635	2.2
389.17291	1.6
390.18015	1.5
400.20313	1.3
402.18192	27.5
403.18622	3.8
404.19794	4.2
414.18341	1.4
416.19733	2.7
420.19370	0.8
431.18536	0.9
442.17236	0.9
444.19275	19.2
445.19803	3.5
446.16901	1.1
447.18015	1.6
447.55280	0.7
448.18741	23.1
449.19141	3.6
451.21201	1.0
458.17233	0.8
460.19092	1.2
461.19580	1.5
471.17944	1.2
476.21841	1.4
488.11508	1.4
488.18271	24.0
489.18994	13.3
490.19318	1.1
493.22272	1.2
499.27432	1.7
507.19781	1.1
508.20276	1.2
511.26886	0.9
520.20850	36.5
521.21283	7.5
523.27148	3.1
525.25128	9.3
526.25098	1.2
531.50848	0.8
553.20569	1.2
567.26117	23.9
567.35138	1.2
568.26691	3.7
569.23792	1.4
570.24884	3.3
583.25323	1.6
593.22327	0.7
611.25049	57.1
612.25421	9.4
643.27667	54.1
644.27325	8.4
644.37079	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	641.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61459	0.3
61.98832	7.1
63.71870	0.4
78.95879	1.1
152.99529	0.8
164.04805	4.2
165.05098	2.8
166.05270	1.0
179.07162	4.5
180.07454	2.8
181.07680	1.6
294.02136	0.3
301.21710	100.0
302.22052	8.9
380.68073	0.4
412.03091	0.4
546.81390	0.4
641.39795	33.8
642.40039	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	642.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38249	0.4
61.98828	100.0
70.73035	0.4
71.53168	0.5
76.02217	0.4
78.95899	2.3
79.01535	0.4
82.36959	0.4
102.58181	0.4
152.99609	1.1
174.98125	0.4
209.12007	0.5
504.81119	0.4
530.22656	0.5
579.44513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	89.2
61.98830	3.8
70.88439	1.7
70.88798	2.0
81.99560	1.1
84.57191	1.2
142.13930	0.9
157.03528	4.2
158.03653	1.5
159.01454	1.7
174.99217	19.3
176.98097	15.8
201.02534	56.0
202.02762	3.2
217.00278	100.0
218.00714	2.2
219.97748	1.5
231.11293	1.0
306.70935	1.0
343.03699	16.3
344.03748	1.7
359.01447	84.5
360.01660	6.5
501.02463	6.1
618.28192	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18913	21.4
59.01387	44.3
61.98844	100.0
63.81475	20.9
69.00165	19.9
70.53008	45.1
70.53413	37.9
77.19779	18.9
78.95911	32.5
93.03441	50.1
125.02444	44.1
126.90518	19.4
139.26898	26.3
173.04506	45.3
191.05586	29.0
227.04477	23.1
298.16821	19.9
309.41345	18.2
317.21432	29.6
493.54883	22.1
643.26361	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.9
65.45778	0.7
71.01406	1.0
72.99321	1.5
73.02950	1.4
78.70398	0.8
85.02947	1.9
93.03452	1.2
96.22282	0.7
96.96015	1.9
108.02174	54.7
108.32600	0.6
109.02984	11.4
113.02446	1.2
119.05007	2.8
121.03001	0.7
123.00871	0.9
135.04480	1.1
139.11295	9.9
151.04005	0.9
152.01151	100.0
153.01895	6.0
163.04024	6.3
173.04599	0.8
179.03535	0.9
181.12303	5.3
183.10248	9.7
186.83344	0.6
191.05586	2.5
193.32298	0.8
199.13377	1.3
210.36844	0.6
216.45850	0.7
225.11281	2.7
229.26984	0.8
243.12300	6.4
267.04843	0.8
269.54269	0.6
285.06046	2.1
399.09299	13.2
417.10190	1.4
583.20618	1.8
599.23285	5.7
625.21613	2.0
643.22406	98.2
644.22717	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	641.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
59.01375	2.5
60.70602	0.6
69.34982	4.3
71.01376	2.1
72.99290	1.4
73.02950	1.0
83.01383	0.9
85.02954	2.6
89.02394	0.6
93.03471	0.8
95.01375	1.1
95.89651	0.6
96.95983	0.9
108.02174	59.3
109.02988	8.8
113.02420	1.0
125.02409	0.6
135.04489	1.7
137.02457	1.4
152.01149	100.0
153.01971	4.3
161.34505	0.6
163.04007	4.0
175.03915	0.9
177.01961	1.0
179.03494	0.9
181.33698	0.6
184.50856	0.5
191.05598	2.9
207.02992	0.8
211.13399	2.2
261.05374	0.6
297.06326	0.8
315.07486	0.6
342.89020	0.7
429.10376	14.2
430.10797	1.1
436.68314	0.6
447.11401	1.3
641.24487	97.1
642.24817	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	641.262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98736	1.1
59.01379	15.5
61.98841	7.8
67.01897	2.7
71.01379	3.2
79.95713	1.7
80.05059	9.7
85.02972	2.6
85.82196	1.2
87.00878	3.9
90.13749	1.1
93.03462	14.0
94.06636	2.8
96.95996	2.4
99.04501	1.5
104.05083	4.4
106.06616	4.0
107.03773	7.8
111.04530	1.8
120.08199	3.6
120.27719	1.2
121.05314	2.1
122.06122	46.0
123.18685	1.4
132.04579	3.4
133.02922	2.1
133.49289	1.2
134.06131	17.2
135.04478	2.8
136.02928	1.4
139.02649	1.4
148.04050	2.7
148.45694	1.2
150.05612	1.8
152.07178	56.8
153.07477	2.4
154.25645	1.2
156.02095	1.2
160.04041	2.2
160.06419	8.7
161.02478	2.1
161.04707	1.7
173.04581	11.3
174.03215	1.4
174.05647	7.4
190.05161	3.0
191.03737	1.9
191.05606	19.3
192.04204	1.5
198.12816	1.9
213.10347	41.1
214.10631	3.3
215.05583	1.4
218.13174	1.3
223.08705	2.0
225.10251	2.1
226.11082	4.0
229.14368	2.9
237.10356	2.2
239.11876	20.6
241.13449	22.0
242.13820	2.2
245.12979	8.8
250.04654	1.3
251.11925	3.8
265.09735	4.7
267.11490	1.6
285.12439	83.1
286.12689	4.4
293.12912	12.0
295.10837	6.0
297.12253	1.8
313.11636	6.2
316.14624	2.4
321.04242	2.7
323.10294	11.6
325.11890	5.7
328.10944	5.7
339.09848	3.3
340.14603	2.7
341.11301	1.4
342.12363	3.8
343.13126	4.8
344.14014	3.3
351.07059	1.5
355.12885	6.9
356.13739	2.5
356.17764	3.4
357.14716	5.5
358.15530	27.3
359.16104	3.8
370.11771	2.8
372.17017	2.3
378.09247	2.1
384.13281	7.0
385.13864	2.2
399.15561	2.3
400.16647	20.5
401.16928	2.5
412.16519	6.6
449.18793	1.3
497.25488	3.0
523.23450	15.1
524.23840	3.9
537.24561	1.8
544.12292	2.1
565.24536	100.0
566.24976	16.2
568.23108	4.7
569.23419	1.7
581.24207	2.6
609.23511	99.9
610.23938	18.5
623.46600	1.8
641.16705	2.2
641.26270	24.2
642.26227	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	639.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97836	1.7
57.03433	4.2
59.01382	30.9
61.98835	35.8
65.03967	2.9
71.01385	28.0
71.52299	2.1
73.02936	6.2
78.95893	3.3
81.03450	2.7
83.01377	3.5
83.05015	8.8
85.02943	10.6
85.06591	3.2
87.00874	11.8
89.02439	14.3
93.03463	3.1
94.01645	1.9
95.01396	3.5
95.05038	3.2
97.06570	6.5
99.04530	2.6
101.02441	20.8
105.07122	3.5
109.06581	6.5
111.04498	2.5
111.08144	7.2
113.02451	12.0
117.03451	4.0
119.03531	2.1
119.05041	4.1
119.08694	2.0
123.08166	3.7
125.09753	16.6
133.06577	2.5
135.04543	2.9
145.05052	5.8
150.05559	3.0
161.02379	2.3
161.04549	6.6
163.11324	2.2
171.10269	94.0
172.10600	2.4
173.04573	2.9
187.14799	2.5
189.09166	2.2
190.41765	1.9
191.05580	5.0
192.04330	3.7
205.15913	7.8
209.11783	14.6
211.13390	21.1
215.14365	10.6
231.13837	9.1
233.15437	37.4
235.08144	14.5
247.13206	3.0
249.14938	51.4
253.09229	8.7
285.12369	3.0
301.03503	1.9
311.62335	2.1
323.23856	2.5
341.24780	7.6
357.24158	2.5
359.25909	4.0
360.04776	2.3
367.22803	6.1
375.25381	6.0
385.23831	39.0
386.24295	4.5
403.24854	69.2
404.25262	7.0
407.19321	3.5
417.26617	3.2
421.25943	20.4
422.26337	3.7
485.23721	6.3
563.23193	5.3
603.31476	2.2
607.22260	9.2
611.34607	4.5
621.32794	100.0
622.32928	16.7
639.23346	4.8
639.33807	71.4
640.34113	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	641.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.9
66.82291	1.0
79.95737	18.1
80.96518	5.2
87.00866	1.1
89.02452	1.3
96.95993	2.4
98.20728	1.4
100.67525	1.0
108.02197	1.0
125.95322	1.2
135.04480	1.4
137.02461	1.2
152.01160	1.5
164.04794	84.7
165.05115	4.0
167.03490	1.6
171.90352	1.0
179.07138	61.8
180.07423	3.8
190.27826	1.0
191.05629	4.6
237.17281	1.0
259.02805	100.0
260.03156	6.4
261.02429	1.7
270.48047	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16486	1.2
61.98829	6.5
64.66987	1.3
65.89052	1.1
67.01888	1.5
70.16508	2.0
70.16895	4.0
83.05056	1.1
93.03423	1.2
95.05039	3.1
96.96023	1.1
99.04529	7.0
106.53818	1.1
107.03770	2.0
107.05035	1.1
111.00879	4.3
115.08742	1.3
122.06119	7.5
124.94119	1.1
133.06596	3.5
135.08180	7.1
149.09743	1.7
152.07173	8.7
157.42807	1.2
171.11526	1.1
173.09665	1.3
178.06355	2.9
185.13307	2.2
191.05592	5.8
201.12813	2.0
203.14397	8.8
239.62247	1.4
247.13376	100.0
248.13763	6.1
257.90262	1.0
263.13782	1.1
294.97250	1.2
370.15625	2.0
382.12000	2.1
383.12650	1.3
383.95981	1.2
398.15012	4.1
410.15048	2.4
563.22577	10.4
564.23541	1.5
595.25616	1.9
607.22125	4.2
639.23981	4.0
640.24628	1.8
658.02692	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46199	2.9
56.92790	2.7
59.01356	7.0
59.27232	2.6
70.19033	10.6
71.01378	4.7
79.95746	24.4
89.02473	3.5
92.66496	3.8
93.03460	5.2
98.19949	3.5
116.92879	4.0
135.04527	12.0
137.02440	7.3
163.04028	44.8
171.74760	3.1
178.06331	42.9
191.05609	8.4
193.08717	42.8
225.11386	4.7
229.65202	3.6
273.04382	100.0
274.04715	5.2
280.47806	3.3
306.00327	3.9
323.98154	3.8
347.95856	3.7
584.88361	3.5
639.22040	4.1
639.33881	10.0
641.60797	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	639.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31834	1.1
51.71496	1.1
58.02973	6.0
59.01380	3.2
63.95720	1.1
69.60990	7.9
74.02467	10.6
75.81754	1.3
78.95903	27.1
78.96331	2.4
80.05043	1.1
82.02988	1.4
83.01423	2.0
87.05630	5.4
90.00190	1.2
93.03433	1.9
96.04549	7.3
96.96008	2.2
96.96957	2.4
97.04066	9.0
98.02453	2.7
98.20627	2.2
99.04556	6.1
99.05640	10.7
100.00393	1.7
101.02489	1.7
102.31483	1.2
108.04541	7.3
109.04042	1.4
110.02464	1.7
112.04057	10.0
112.07670	9.3
113.03587	5.4
116.01778	1.5
122.06123	2.8
124.04020	6.2
125.03576	3.0
125.04821	2.7
126.05581	1.9
127.05132	8.4
137.07211	3.6
140.07166	12.6
142.03268	1.7
143.04614	2.7
152.03535	3.0
155.08266	19.3
165.06683	18.1
166.07048	1.3
171.00630	14.9
172.01047	2.6
173.04424	1.3
177.03424	2.1
183.07739	31.9
186.02280	1.2
191.05655	4.2
199.95074	1.2
209.05608	1.4
215.06779	1.9
225.05162	2.6
227.06723	81.5
228.07088	3.3
261.05466	100.0
262.05893	3.5
263.12769	8.1
300.19034	1.3
308.01898	1.3
597.33746	1.4
639.22284	12.0
639.32111	2.3
640.22870	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	639.2458
Annotation	Swietephragmin G
Peak:m/z	Relative Intensity
51.11995	5.4
51.84609	4.3
57.80124	5.0
59.01376	11.7
60.17117	4.4
61.96876	4.8
61.98829	100.0
62.84607	4.3
65.99833	4.9
71.53511	5.3
82.02985	8.4
83.01384	6.0
98.50724	5.1
106.02954	5.0
106.06591	10.5
123.92833	4.9
134.06023	4.8
137.08859	3.9
178.01442	13.8
210.03986	10.9
213.10297	9.5
251.11789	7.0
264.61768	4.9
270.44354	4.8
277.10696	11.2
279.11041	14.9
304.12766	5.7
380.14090	5.9
392.20956	5.4
432.20407	6.5
434.21954	6.2
445.20374	8.9
458.22040	5.8
459.21268	7.8
460.20639	13.9
474.21796	6.0
475.25455	24.8
476.23419	19.6
477.23062	22.8
490.24811	14.0
492.23868	5.5
495.23645	12.1
500.42279	6.0
501.22830	48.9
502.21375	20.0
503.21033	15.1
507.27225	6.6
517.22260	8.2
519.23993	94.3
520.24243	21.0
521.21893	8.8
533.25482	39.5
534.23865	22.3
545.21973	57.4
546.22278	15.3
563.22931	80.7
564.23004	17.3
577.15704	8.4
577.24548	98.7
577.33484	7.3
578.24164	17.1
595.25745	14.1
607.22021	10.6
621.23267	18.7
639.24182	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1565
Annotation	Patuletin-3-rutinoside
Peak:m/z	Relative Intensity
56.50837	0.8
59.01370	5.1
61.98837	1.7
65.00334	1.3
71.53253	1.5
73.02938	1.0
75.23432	0.7
85.02941	1.0
86.64024	0.8
89.24409	0.9
92.45792	0.9
93.03457	0.9
96.96002	2.7
101.02439	1.9
110.00101	2.3
111.00909	1.1
119.05045	1.3
121.02986	1.7
128.16272	0.8
137.02394	1.2
139.00380	3.9
139.04013	2.2
149.02420	7.5
149.99487	1.0
151.03978	0.9
153.14355	0.8
159.04541	1.1
161.02409	1.7
163.04010	2.2
164.98279	5.6
165.99083	5.1
171.04518	2.1
175.00378	5.1
177.99042	2.9
178.99835	1.9
181.01462	1.1
187.03983	3.0
189.01913	2.8
191.03323	0.9
191.05635	3.9
197.11797	1.8
199.03990	3.0
199.09781	1.2
200.24391	0.8
201.01965	1.1
203.03459	1.7
207.73148	0.9
209.00972	1.0
214.02574	1.0
215.03450	5.0
217.01389	1.5
231.03047	4.5
241.01448	2.3
242.02147	1.9
243.02951	5.4
244.03644	1.3
245.00827	1.4
259.02478	6.6
269.00986	1.1
270.01578	4.3
271.02460	9.9
287.01959	37.1
288.02472	3.3
315.01456	62.5
316.02124	22.0
317.02563	1.4
330.03796	55.0
331.04489	27.9
332.04883	1.9
535.31244	1.1
639.15601	100.0
639.23901	4.4
640.15930	17.1
664.54626	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	0.7
71.51559	0.5
78.95901	17.1
86.06378	0.3
96.96972	1.9
117.23568	0.4
125.09736	1.0
127.11281	1.1
149.31299	0.4
150.97986	0.4
152.99577	18.0
153.09276	0.4
165.49239	0.3
170.99452	0.4
171.00682	3.6
171.10260	64.2
172.10623	2.8
173.35767	0.4
209.02315	0.4
227.03252	1.1
238.12851	0.4
247.88635	0.3
252.81779	0.3
255.23273	100.0
256.23624	7.9
307.09451	3.6
381.13263	2.9
391.22430	0.7
399.14294	2.4
412.99973	0.4
465.26147	0.9
483.27499	1.1
637.37146	44.8
638.37415	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	638.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
61.98829	100.0
69.69281	0.3
97.83493	0.3
98.19859	0.6
118.71632	0.3
152.99539	0.4
171.10269	1.8
172.10559	0.5
193.38992	0.4
217.08694	0.5
219.06650	0.4
229.10458	0.6
255.23338	0.5
256.23746	0.9
325.27551	0.3
335.14642	0.4
378.78574	0.4
388.36954	0.4
557.38098	0.5
575.39313	2.0
638.37073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	2.1
63.94758	1.4
69.54599	4.9
69.55023	6.1
74.65036	1.7
84.17958	1.5
98.20596	3.1
100.95125	1.6
121.57018	1.5
128.03561	1.7
135.04491	1.9
165.12842	20.4
183.13893	92.7
184.14252	4.7
191.05551	2.7
209.11795	3.5
211.13377	5.9
227.12888	100.0
228.13164	6.9
343.18967	1.7
637.32208	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	637.323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33796	1.2
54.29123	1.1
57.03435	2.3
59.01370	7.2
61.98825	11.2
66.25231	1.1
69.03448	1.3
70.49425	2.8
71.01376	6.7
73.02936	5.2
79.65925	1.1
83.05043	1.5
85.02938	3.2
87.00863	4.0
87.04511	2.1
92.94861	1.1
96.80055	1.2
96.96025	2.1
97.06584	1.9
99.04527	1.4
101.02438	3.4
108.02138	1.6
109.06628	1.5
111.08181	2.8
112.51915	1.2
112.98614	1.3
121.06541	1.2
122.03733	25.1
123.04510	1.3
133.05072	5.1
134.03722	4.7
135.04541	7.0
136.05273	2.0
139.07602	1.6
148.05260	3.0
149.06075	19.3
150.06816	4.2
151.07646	3.4
161.04739	1.2
161.06041	6.6
162.06847	3.1
163.07597	3.9
163.11237	1.3
165.12833	17.5
173.09613	1.2
175.07684	1.8
176.08415	96.6
177.08922	6.4
183.13892	40.8
185.13208	1.8
189.09206	4.9
189.12857	1.9
190.09969	9.6
191.05605	1.6
191.10767	65.6
192.11089	4.0
192.29736	1.6
199.07678	1.7
205.08659	5.7
207.10336	2.0
207.13879	1.6
209.11833	4.7
211.13344	6.3
214.09961	3.2
217.12387	1.3
221.15419	3.4
227.10811	3.0
227.12849	17.4
229.12244	3.9
231.13829	1.4
233.11729	3.9
247.13353	3.0
249.14954	4.3
251.12834	7.9
263.12946	1.3
264.13571	4.0
265.14420	53.2
266.14783	3.5
269.13922	1.7
275.12903	4.4
283.15622	3.3
293.13913	23.2
299.20151	2.0
311.15112	2.5
317.21207	16.9
318.21439	2.1
371.17047	4.7
389.23541	5.6
433.20010	2.4
433.25909	39.4
434.26242	3.4
448.09781	1.3
582.99121	1.6
637.32281	100.0
638.32477	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	637.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
57.80247	0.7
59.01109	1.0
59.01379	13.6
61.98819	1.7
63.16101	0.6
70.27731	3.1
71.01379	3.5
71.04976	0.7
73.02946	5.2
78.95906	12.3
81.11557	0.8
83.01389	3.2
83.04982	0.8
85.02925	2.5
87.04514	1.3
93.03465	1.0
96.95992	1.4
96.96978	1.0
97.02941	1.1
98.59858	0.8
99.04499	0.9
101.02431	1.9
102.05578	0.7
111.04519	0.8
116.81969	0.7
121.06683	0.7
122.03732	14.7
128.03534	1.6
130.08696	0.9
134.03717	3.1
135.04546	4.1
136.05269	0.8
137.06091	1.2
139.11301	8.4
148.05293	2.5
149.04912	1.3
149.06081	21.6
150.06857	4.5
151.07576	2.5
162.06831	3.1
163.07579	2.2
163.11287	1.4
165.09193	1.4
168.38869	0.6
169.12274	3.3
169.13570	0.7
171.00652	7.8
179.10748	1.6
181.12347	6.0
183.10254	13.3
185.11832	1.0
189.09193	1.4
191.05476	1.7
191.10779	1.6
203.10838	0.7
216.11539	3.4
219.13963	3.9
225.11310	7.5
231.13821	6.8
232.14262	0.9
234.12610	2.5
243.12325	3.9
245.13907	1.5
248.14180	15.4
249.14940	52.5
250.15320	2.2
251.12961	0.8
252.16034	1.6
259.12982	2.6
263.12552	0.9
266.15207	1.8
267.12198	0.8
267.15897	2.8
309.13452	1.4
317.21170	3.1
328.39233	0.8
387.16806	1.5
393.19284	1.8
433.25873	7.2
466.27795	1.0
619.30835	4.4
637.32269	100.0
638.32721	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	637.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.8
59.01377	19.1
61.98822	2.2
62.09615	0.8
65.03036	0.7
69.70288	2.9
71.01373	2.0
71.76208	0.7
72.99272	0.9
73.02950	4.4
73.89865	0.9
83.01395	5.8
85.02959	2.0
85.06584	0.8
87.04502	1.6
93.03434	1.0
97.02953	0.9
99.04520	1.3
101.02441	3.1
109.06573	1.2
113.02421	1.2
122.03736	26.2
122.04629	1.2
123.04527	1.0
125.06087	0.9
126.88219	0.7
134.03734	4.0
135.04494	2.4
135.08192	0.8
136.05272	1.3
137.05984	0.8
139.07642	1.2
139.11287	11.5
147.23450	0.9
148.05247	1.5
149.06075	17.8
150.06778	2.3
151.07610	4.3
161.06047	1.6
161.09758	0.9
162.06824	2.3
163.07664	1.8
163.11232	1.0
165.09175	1.3
169.12349	1.8
170.86571	0.8
173.09700	5.7
175.07623	1.9
176.08403	18.5
177.09135	3.5
178.09952	2.2
179.10716	4.6
181.12317	4.9
183.10233	16.2
183.13840	1.8
189.09189	10.6
190.09966	6.9
191.10753	21.7
192.11108	1.6
197.11816	1.7
203.30582	0.8
205.08664	2.9
221.11899	1.1
225.11287	11.0
227.12862	1.0
231.10133	1.7
231.13863	0.9
234.12558	1.2
243.12328	6.6
247.13338	1.3
248.14134	12.7
249.14929	46.1
250.15288	3.3
251.19450	0.8
263.12820	2.6
275.09381	1.6
281.14096	1.2
291.12411	1.9
309.13531	1.0
327.14413	1.7
371.94492	0.8
387.16550	1.6
619.30817	6.4
620.31299	1.1
631.68469	1.1
637.32269	100.0
638.32623	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	637.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90487	0.3
59.01377	1.2
66.01820	0.3
69.44016	2.6
71.01373	1.2
73.02937	0.4
79.64108	0.3
79.65868	0.3
85.02950	0.7
91.01875	1.0
92.78139	0.3
93.03478	0.5
95.01427	0.4
96.96015	0.9
101.02453	0.6
111.00885	0.7
120.02193	1.4
121.02957	100.0
122.03243	2.7
135.04520	0.4
136.01675	0.9
149.06079	0.6
161.06097	0.4
176.08430	5.1
181.05043	0.6
191.05566	1.5
191.10793	3.2
209.04546	83.7
210.04846	3.6
218.89886	0.3
265.14432	7.7
266.14877	0.6
283.53125	0.3
422.71347	0.3
427.20065	0.5
435.43033	0.3
494.26294	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1772
Annotation	3,4'-Dihydroxy-7,3',5'-trimethoxyflavone 3-galactosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
54.04597	0.2
59.01379	1.3
61.98811	0.8
68.40028	0.2
69.43654	2.0
71.01369	0.9
85.02934	0.4
89.02428	0.5
96.95969	0.7
97.21675	0.2
113.02423	0.4
115.00391	1.3
129.40486	0.3
136.73889	0.3
191.05595	1.0
210.03130	1.0
213.05569	0.4
214.02745	0.3
225.05559	1.0
226.02605	1.4
229.01448	0.5
230.02161	0.3
241.04871	0.5
242.02155	1.7
254.02158	1.4
255.03140	0.4
268.03867	0.3
269.04510	0.5
270.01672	5.4
271.02075	0.3
281.00882	0.5
282.01657	0.4
283.02426	1.0
284.03271	0.6
285.04034	8.9
286.04327	0.5
297.00760	0.4
297.03860	1.5
298.01154	2.2
299.05533	1.6
312.02823	0.9
313.03510	41.7
314.03827	2.9
327.05057	2.6
328.05862	17.1
329.06219	0.8
343.08194	100.0
344.08505	7.9
531.21967	0.3
637.16638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96535	2.2
59.01375	3.8
61.71639	2.2
61.98828	4.2
66.10525	2.3
71.51035	4.0
82.48809	2.5
87.03728	2.5
93.03461	9.4
96.96022	5.2
123.21353	2.4
131.55481	3.1
137.02467	18.3
150.03265	14.0
163.03966	2.7
165.01903	9.8
165.05609	18.8
177.01788	3.0
180.04282	3.9
186.99802	2.5
191.05598	5.2
195.06602	46.7
229.83714	2.7
243.08734	6.8
331.11893	6.2
353.35165	2.6
391.14047	10.3
413.23935	2.9
439.09988	4.8
439.16061	100.0
440.16464	12.8
637.19440	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	637.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41145	0.6
59.01370	1.9
69.42409	4.0
69.42814	1.5
71.01377	1.9
72.99306	22.6
73.02952	1.4
79.95754	0.8
85.02940	1.7
89.02445	0.8
93.03475	1.9
96.96019	4.1
98.20689	1.2
98.95619	0.8
99.00915	1.3
101.02482	1.3
111.04488	0.6
113.02442	3.7
117.03458	1.3
119.05024	100.0
120.05358	3.2
121.02970	1.2
131.03529	0.6
135.08199	0.9
145.02962	4.2
150.58434	0.6
153.09195	10.4
161.06126	0.6
162.03259	1.2
162.43440	0.6
163.03998	73.1
164.04298	2.9
178.06308	1.8
185.06186	0.7
191.05623	2.9
193.08713	0.8
197.08224	2.8
228.23259	0.6
273.04486	2.2
277.07175	1.6
307.08136	0.9
325.09152	0.8
424.04572	0.6
439.12442	19.4
440.13034	1.2
457.13477	25.8
458.13931	1.3
593.22308	9.3
594.22736	1.1
637.21478	24.4
638.21820	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	635.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62473	0.7
61.98809	2.1
63.16795	0.7
78.95900	23.6
96.96970	2.5
97.07581	0.6
99.85778	0.6
125.09747	1.2
127.11272	2.6
150.32703	0.6
152.99580	29.4
171.00630	4.1
171.10265	100.0
172.10588	3.5
200.54633	0.7
201.42804	0.6
227.03294	3.6
229.40773	0.8
253.21692	21.8
254.22029	1.6
255.23222	1.3
257.51260	0.7
307.09628	2.8
364.25693	0.6
366.76801	0.6
381.13229	2.5
399.14209	76.9
400.14465	4.3
463.24973	0.7
475.37918	0.7
635.35596	18.5
636.35895	3.0
654.05280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14594	0.9
54.89908	0.9
58.02975	12.6
59.01373	1.4
69.45371	1.1
69.71828	0.9
70.02972	5.5
71.01389	1.2
71.52010	1.5
72.00896	3.2
78.95904	1.5
79.95700	1.0
88.82786	1.0
91.05543	4.7
93.27912	0.8
96.37980	0.9
96.96000	12.2
96.96959	2.1
101.02448	1.1
103.05563	1.0
122.03773	1.2
135.04553	1.0
147.04518	21.0
159.20917	0.9
164.07164	53.3
165.01930	1.7
165.07509	1.9
180.04190	1.1
191.05569	2.7
195.06596	3.3
196.06984	1.9
198.83759	0.9
206.08209	100.0
207.08563	4.7
250.07178	1.5
267.15924	1.2
412.69135	1.1
566.44476	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93594	1.1
57.03433	1.5
59.01117	1.3
59.01380	13.1
61.98821	3.6
69.03437	2.0
71.01379	6.8
72.99283	1.5
73.02939	12.1
73.92873	1.0
81.03463	1.2
83.01386	2.7
85.02958	5.4
87.00844	1.0
87.04514	8.6
88.98791	1.8
95.01352	1.0
95.05026	2.8
96.17438	0.9
96.96021	1.6
97.02942	3.7
98.20669	1.3
99.04560	1.6
101.02437	4.4
109.02953	1.3
109.06571	3.2
111.04501	4.1
113.02460	1.6
113.06059	3.8
113.60712	1.0
121.06628	1.6
122.03732	12.0
124.74617	1.2
125.02451	3.0
125.06003	1.4
134.03723	4.6
135.04543	2.5
135.08138	1.4
136.05336	1.9
137.06042	1.6
139.07683	1.0
148.05276	4.1
149.06061	17.2
149.09787	1.4
150.06863	1.7
151.07632	3.0
161.06100	5.8
161.09714	2.0
162.06798	1.4
163.07672	3.7
163.11327	8.6
165.09181	3.0
175.11241	1.6
176.08412	62.6
177.08980	4.2
177.12744	1.3
181.12328	53.5
181.36198	1.0
182.12721	1.9
189.09216	4.0
189.12827	1.1
190.09991	5.9
191.05611	1.7
191.10771	29.4
195.13904	1.4
201.12982	1.0
205.04930	1.0
205.08678	4.0
205.12364	2.0
207.10239	4.2
214.09949	1.5
217.12321	2.2
219.13808	1.3
221.11829	2.2
225.11317	23.3
226.11740	1.6
229.12434	1.4
231.10236	1.4
235.13332	2.0
239.12823	1.5
249.11201	5.2
253.14441	2.8
263.12836	5.2
264.13660	4.1
265.14389	17.6
266.14764	1.9
267.12338	14.7
281.13861	3.7
291.12460	5.5
309.13397	32.2
310.13757	3.5
351.14603	1.7
369.15460	12.0
423.76852	1.1
431.24438	1.6
635.30707	100.0
636.31091	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	634.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54790	0.3
58.69553	0.3
61.98830	100.0
69.37342	2.3
78.95923	0.4
96.96037	1.1
149.27480	0.3
152.54346	0.3
200.08006	0.3
267.06406	0.3
575.57385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.251
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
50.64191	0.7
54.18486	0.6
55.37157	0.6
55.69075	0.6
60.21678	0.6
61.98830	1.5
68.77345	0.7
70.03569	1.7
70.03976	1.1
76.65543	0.9
78.95901	10.6
89.67899	0.6
95.19714	0.6
95.97869	0.6
98.19949	0.7
141.29965	0.7
152.99599	5.1
167.14816	0.7
171.10298	1.9
171.81342	0.6
225.11287	0.8
255.23335	6.8
256.23721	0.6
301.21725	1.2
340.97842	0.7
379.11719	1.3
391.22610	2.1
397.57047	0.7
409.23453	1.5
415.15601	1.1
418.61221	0.8
419.18799	1.8
429.17230	1.0
430.14297	2.3
431.19226	5.6
432.19205	1.2
433.20062	0.9
445.16571	2.5
448.89111	0.8
457.20578	0.8
458.17581	3.2
459.18649	2.1
473.15924	2.8
473.20642	2.2
474.16620	7.7
475.17596	2.5
487.17902	2.1
488.18607	5.9
489.18976	4.0
490.19962	6.3
501.19177	2.1
505.22769	3.8
515.16815	0.9
516.18103	1.3
526.20166	0.8
529.18878	1.6
549.20789	1.5
559.23535	1.7
560.20538	1.4
575.22974	13.4
576.23663	6.8
603.22644	3.0
617.35297	1.3
635.25116	100.0
635.34808	5.1
636.25519	17.3
636.34857	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
57.03459	1.4
58.00583	0.8
59.01380	62.5
61.98813	0.7
69.03448	1.2
69.22738	6.7
71.01379	43.5
72.99304	2.6
73.02946	23.0
75.72472	0.8
80.56654	0.8
81.03426	1.0
83.01395	6.6
85.02950	11.4
87.00875	11.4
89.02448	24.7
91.90177	0.7
92.54359	0.8
93.03421	0.6
95.01385	3.1
96.96005	3.0
97.02946	1.3
98.95603	0.7
98.96461	0.8
99.00919	1.9
99.04547	0.7
101.02444	33.0
102.98601	0.8
113.02448	17.7
119.03506	11.0
120.99643	0.9
122.03737	30.5
125.02449	2.4
131.03470	2.1
134.03728	2.1
135.04517	0.7
143.03502	2.6
148.05299	0.9
149.04668	1.3
149.06067	12.8
151.07626	2.4
153.09227	1.3
161.04546	3.0
162.06905	0.8
162.31276	0.6
165.09125	0.7
175.10947	0.8
176.08421	1.8
177.09154	1.6
179.05554	1.1
179.10770	1.7
189.09245	2.7
191.05641	2.5
191.10794	17.8
192.11154	1.4
231.13914	1.6
247.13420	1.2
248.14151	3.1
249.14969	14.8
251.16426	1.6
265.14459	2.5
266.15112	1.6
267.16003	34.7
268.16302	2.3
291.15967	0.9
337.16602	2.4
411.20224	47.5
412.20471	3.3
427.07205	0.6
428.20438	7.6
429.21262	94.1
430.21747	7.8
470.21689	1.5
471.22342	100.0
472.22638	11.5
491.12234	0.8
573.25500	22.7
574.25781	2.9
591.26361	5.5
592.26740	1.1
633.17914	1.2
633.27771	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	633.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66093	1.1
57.03450	3.2
59.01376	17.0
60.33715	1.0
66.30694	1.2
66.60090	1.1
69.03434	1.7
70.46223	1.1
71.01381	22.4
72.73283	1.0
72.99298	6.0
75.00877	16.5
79.95724	10.2
80.02678	3.1
80.96523	1.4
85.02944	26.1
87.00866	11.1
89.02441	7.4
93.03503	1.3
95.01390	4.1
95.95234	5.0
96.96003	73.9
98.19833	1.6
98.95572	3.1
99.00882	9.5
99.04507	3.5
103.00362	3.2
113.02448	35.3
115.00403	2.0
117.01926	2.6
121.06559	2.2
122.97559	3.3
125.93082	1.4
129.01920	1.3
131.03470	1.7
136.01637	11.1
149.04552	3.7
150.03246	1.9
151.04016	9.1
175.02431	3.0
189.12874	8.4
191.05559	1.9
205.07173	1.2
207.05167	1.3
207.13893	4.0
225.26947	1.4
229.51855	1.3
249.06143	8.5
251.12895	5.9
267.07193	49.3
268.07379	2.2
273.04605	1.5
275.02325	6.4
317.07782	1.3
325.16562	2.9
501.19754	100.0
502.20169	11.1
633.15881	23.9
633.24115	56.6
634.16248	2.9
634.25269	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	633.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19063	0.7
57.03447	1.3
59.01381	6.9
60.53934	0.7
65.37527	0.7
69.03457	0.8
70.18694	0.7
71.01392	7.3
72.99297	1.4
75.00878	5.9
79.95739	6.5
85.02948	5.7
87.00869	3.3
89.02439	2.2
93.03485	0.9
95.01415	1.8
96.96010	100.0
99.00883	4.4
99.04465	0.7
101.02426	1.7
102.00064	0.9
103.00394	0.8
110.97558	1.0
111.00867	1.0
113.02450	10.4
115.00350	0.7
120.99609	0.9
121.06589	0.7
131.03522	0.7
149.04520	2.2
151.04033	2.5
163.03909	1.3
165.05566	2.7
175.02504	1.4
177.05524	0.9
189.12857	4.2
191.05632	3.3
207.13913	2.6
249.06168	4.3
251.12910	1.6
263.12866	3.2
265.14465	1.4
267.07220	10.5
279.10641	1.0
283.09686	0.7
288.55859	0.7
296.07047	2.1
296.10867	6.2
297.11746	0.9
311.09280	4.3
325.16541	1.4
326.11548	4.8
427.19922	1.6
459.16879	7.8
460.17542	1.1
487.44772	0.8
501.19757	43.4
502.19833	3.6
529.17102	0.8
633.16516	37.1
633.24536	13.2
634.16052	6.2
634.25885	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
57.03454	1.9
59.01379	14.2
67.01894	0.6
68.99804	0.7
69.03471	1.2
69.33096	4.2
71.01378	18.8
72.99309	4.1
73.02949	1.9
75.00873	15.7
77.26868	0.5
80.02673	1.4
81.03452	0.9
82.55853	0.5
83.01386	0.7
85.02948	21.4
87.00883	7.2
89.02436	5.0
91.03979	0.6
93.03424	0.6
95.01383	5.4
96.61482	0.5
96.96020	1.6
99.00887	8.5
99.04525	3.2
101.02444	0.6
103.00363	1.7
103.04014	0.6
107.05016	0.9
111.00852	0.8
113.02444	28.1
115.00381	1.8
117.01942	2.2
120.05824	1.2
121.06586	2.5
129.01950	1.7
131.03502	1.1
149.04561	2.3
151.03986	0.6
157.01425	1.4
163.14883	0.8
171.11748	1.2
175.02393	2.7
189.12848	11.8
191.05597	1.2
207.05057	1.1
207.13907	6.9
211.00908	0.6
227.67043	0.6
231.05122	1.6
233.11914	1.0
249.06140	13.2
250.06740	0.9
251.12859	7.1
267.07193	33.1
268.07477	1.5
282.37555	0.6
325.16525	3.0
384.66281	0.5
457.20624	0.9
459.11792	0.6
483.18539	1.4
501.19763	100.0
502.20093	11.3
543.20520	0.8
633.23962	74.0
634.14313	0.7
634.24384	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	633.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75675	0.5
59.01373	0.8
60.09129	0.4
66.57676	0.4
71.01368	0.6
79.95740	8.6
80.96536	0.6
85.02908	0.5
91.48331	0.4
95.95256	0.5
96.96010	100.0
110.97565	1.6
136.01654	0.5
139.97691	0.4
145.80194	0.5
146.03763	0.6
151.03989	1.8
152.75467	0.5
155.51430	0.4
164.04781	5.1
165.05550	0.7
173.04474	0.5
179.07092	4.5
191.05609	1.1
229.01643	0.6
252.07925	0.4
259.02792	6.6
267.06821	0.6
268.07205	0.6
271.70456	0.5
296.06845	2.1
311.09241	4.1
325.10501	0.6
326.11606	5.4
377.25568	0.5
633.16443	42.2
634.16699	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	631.494
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18333	0.7
61.98820	1.6
65.58293	0.9
69.60863	1.9
69.61275	3.2
71.30550	0.7
78.95887	1.1
102.76064	0.8
103.95150	0.8
113.14683	0.8
301.21704	100.0
302.22107	8.1
312.12119	1.0
608.92633	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37236	0.2
59.01368	0.5
69.49799	1.5
70.15575	0.2
71.01362	0.3
79.95731	6.4
80.96533	0.4
85.02937	0.3
86.32145	0.2
87.55511	0.2
95.95228	1.7
96.96006	100.0
97.95937	0.3
102.98574	0.7
103.30296	0.2
110.50160	0.3
110.97598	1.6
113.02459	0.4
122.97575	1.0
136.01639	0.5
146.03731	4.1
150.03246	0.4
151.04031	2.0
161.06067	1.1
164.04765	2.6
165.05589	0.4
177.05551	0.3
179.07120	2.1
188.56525	0.2
191.05618	0.6
198.56917	0.2
206.02187	0.6
267.06985	0.8
267.09998	0.3
281.08127	0.3
283.09729	0.6
295.06189	0.3
296.06863	2.1
297.11340	0.5
299.08987	0.2
311.09247	4.2
325.10623	0.3
326.11539	4.6
327.12079	0.4
436.08258	0.5
449.09189	0.4
453.08490	2.5
454.08942	0.5
501.19992	1.2
605.01221	0.2
633.16351	41.5
634.16718	6.0
643.58392	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83084	1.1
57.03441	5.3
59.01378	27.3
61.98837	1.4
62.83854	1.1
68.99825	2.6
69.03455	3.4
71.01007	2.6
71.01383	39.1
71.52425	1.8
72.14595	1.2
72.99316	7.2
73.02950	5.3
75.00870	25.0
76.01132	1.2
85.02951	38.0
87.00874	15.9
89.02447	23.7
93.03479	2.1
95.01395	7.0
95.05028	1.9
96.96015	8.3
98.83176	1.3
99.00898	12.4
101.02494	1.9
103.00363	4.0
103.03999	3.6
111.00880	1.8
113.02455	50.0
113.06098	4.9
115.00343	3.4
117.01926	5.5
120.99655	1.4
129.01945	4.9
130.70039	1.1
131.03526	2.2
135.04486	3.1
149.03365	2.2
149.04564	43.7
157.01393	2.3
161.13367	14.9
175.02477	4.8
187.11302	6.8
191.05640	3.1
205.07141	5.0
205.12344	23.4
207.05191	3.2
231.05035	2.0
231.10301	1.9
249.06123	27.2
249.11400	3.5
250.06412	1.6
267.07199	100.0
268.07489	4.0
279.12540	1.9
323.14865	3.0
430.37347	1.4
437.17776	2.8
455.19241	48.0
456.19675	5.8
481.17242	6.5
499.18225	90.3
500.18448	10.2
501.34579	1.5
502.35712	1.3
631.22516	58.7
632.22882	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	631.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.6
61.98838	8.3
64.73098	1.5
71.01389	2.4
72.99312	1.5
73.02942	9.0
75.00867	12.9
85.02946	2.0
89.02480	2.4
98.19820	3.2
99.00876	6.4
99.92570	12.0
115.00343	6.3
115.04008	1.9
116.03513	2.6
116.07150	4.6
116.92860	100.0
117.01937	34.3
117.05584	5.5
117.92897	3.5
155.15553	1.5
158.11980	2.0
159.81737	1.7
179.89615	1.5
191.05620	2.9
217.62321	1.6
225.21910	1.7
277.21756	8.0
285.03992	1.8
304.47031	1.7
379.07117	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
60.11479	0.3
61.98830	100.0
70.28209	1.0
70.28557	0.6
72.73882	0.4
77.33688	0.3
90.54720	0.3
145.19981	0.3
182.25810	0.4
219.07892	0.3
430.27158	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	0.6
61.98809	0.3
63.15297	0.3
66.61317	0.3
71.01355	0.5
71.52406	0.5
71.52766	0.4
79.95728	5.6
86.02320	0.3
88.98807	0.5
93.03461	0.5
96.96004	100.0
101.02428	0.4
110.97563	1.3
136.01651	1.1
146.08368	0.4
150.03250	0.6
151.03989	3.0
152.01228	0.3
155.65930	0.3
162.03252	0.4
163.03893	0.3
191.05586	0.9
218.21465	0.3
230.99638	0.5
266.05795	0.7
281.08157	0.7
294.05380	1.4
309.07645	4.1
324.10016	4.0
325.10461	0.6
376.92627	0.3
440.77646	0.3
455.19101	0.4
514.37286	0.4
631.14862	34.4
631.23975	1.2
632.15265	5.3
632.25439	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.7
57.11088	1.1
59.01378	22.3
61.66722	1.1
61.98830	2.7
63.81930	1.4
68.99792	1.0
69.03454	2.0
71.01380	31.6
71.52235	1.4
72.99295	6.0
73.02933	3.3
75.00867	23.3
79.78497	1.1
81.03474	1.6
81.56350	1.1
81.88457	1.1
85.02948	30.8
87.00878	13.1
89.02446	16.9
93.03454	1.4
95.01377	6.9
96.96008	16.7
99.00874	12.2
99.04513	1.9
101.02443	2.0
103.00365	3.4
103.04031	2.3
107.05018	1.1
113.02446	46.7
115.00352	1.7
117.01969	3.2
129.01965	3.8
131.03503	1.1
149.04555	31.2
157.01387	2.0
158.52061	1.3
161.13364	15.7
162.95245	1.2
175.02461	3.6
187.11314	5.8
191.05603	2.5
205.07187	3.9
205.12312	10.6
206.12732	1.4
207.05113	2.6
223.08093	1.1
231.05089	2.1
249.06143	22.5
250.06482	1.6
267.07202	100.0
268.07547	3.0
316.42551	1.2
323.15250	1.4
349.78622	1.4
373.30838	1.1
377.77518	1.2
437.18323	1.7
455.19183	57.9
456.19479	4.9
478.44965	1.2
481.16931	2.1
499.18201	69.8
500.18539	6.0
546.98798	1.2
631.22583	48.3
632.23560	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	631.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.9
59.01383	26.6
61.98829	4.5
67.15881	2.6
69.03430	2.6
70.06728	11.0
71.01379	37.9
72.99311	6.5
73.02937	11.7
75.00877	17.8
81.56976	3.4
85.02949	27.9
87.00880	15.8
88.26349	2.7
88.56399	3.2
89.02439	42.0
93.03456	2.8
95.01394	7.5
96.96013	6.4
99.00887	10.1
103.00376	4.9
103.04011	5.9
113.02451	38.9
129.01927	3.5
131.03459	3.4
147.71568	2.7
149.04561	100.0
150.04871	3.8
161.13368	19.1
167.60046	2.8
175.02458	3.2
187.11290	7.3
191.05655	8.2
205.07166	7.6
205.12372	25.7
249.06192	20.5
267.07190	76.4
268.07468	3.3
297.19751	3.1
383.91327	3.1
410.82251	2.7
437.17920	3.2
455.19211	43.2
481.18008	5.8
499.18161	49.8
500.18619	5.3
631.22424	96.9
632.23004	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	629.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08063	0.8
57.03443	0.9
59.01389	7.5
61.98825	3.7
63.97131	1.0
67.01891	1.3
69.03454	1.0
71.01383	3.4
71.52895	1.5
73.02948	2.6
80.96519	1.1
83.05019	2.8
85.02943	2.5
87.00869	1.6
89.02441	2.4
93.03464	4.1
96.96005	5.5
99.04514	1.8
101.02436	2.7
102.98577	1.1
113.02435	2.0
120.99644	6.2
128.90189	1.3
133.02965	1.2
135.04561	4.4
137.02429	1.2
139.55133	1.1
155.03438	1.2
161.02390	1.2
173.04555	4.8
179.03464	3.3
191.05608	13.5
191.91122	1.0
192.05919	1.2
201.11307	2.4
205.12386	1.0
209.11830	2.5
249.14870	1.8
252.29628	0.9
282.75839	0.9
291.11392	3.4
319.19116	100.0
320.19461	9.6
349.20157	3.1
353.08649	2.1
361.20499	1.4
381.22934	6.1
449.14526	1.4
453.21252	2.1
497.27328	2.3
523.25586	9.2
611.18121	1.2
629.24884	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	629.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.7
61.48357	0.6
61.98829	10.2
69.69782	1.0
69.70193	2.7
71.01363	1.8
73.02929	1.7
79.95732	2.5
80.28275	0.6
80.96513	2.4
83.05013	2.7
85.02943	0.9
93.03447	2.2
94.47170	0.7
95.95230	0.8
96.96019	8.0
97.63073	0.7
101.02429	1.7
109.03008	0.8
135.04497	2.4
152.99426	0.6
155.40901	0.6
161.02422	1.3
161.72418	0.6
173.04535	2.7
178.02660	1.4
179.03487	1.6
187.10770	0.6
191.05573	5.8
192.04277	0.6
192.05884	1.0
193.05038	1.2
201.43430	0.7
202.08144	0.7
202.20407	0.7
202.48123	0.6
249.14926	1.1
273.00806	0.9
288.03052	2.3
293.70410	0.7
319.19125	100.0
320.19464	9.2
333.20709	1.0
349.20184	15.2
350.20477	1.5
361.20282	1.9
381.22906	4.1
431.24460	2.8
449.14001	1.1
467.10083	1.1
489.24643	0.8
497.28723	0.8
523.25397	7.5
524.25604	0.9
553.26483	1.7
629.15424	6.8
629.31610	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73564	0.1
59.01387	0.8
66.44740	0.1
67.44711	0.1
71.01376	0.4
73.02965	0.1
79.95739	5.5
80.96522	0.2
85.02946	0.4
86.04311	0.1
89.02434	0.2
93.03469	0.3
95.95193	0.2
96.96008	100.0
97.95953	0.3
101.02403	0.3
106.03738	0.2
108.02171	0.5
110.97568	1.4
113.02457	0.3
130.44090	0.1
136.01662	1.0
149.02432	0.2
149.04500	0.2
150.03162	0.5
151.04005	2.6
152.01135	1.0
153.01443	0.3
163.04028	0.3
165.05566	0.4
165.81015	0.1
175.03972	0.4
178.06288	0.3
187.11226	0.1
188.04796	0.4
190.06224	0.2
191.05573	0.7
193.08626	0.2
207.13948	0.1
218.05775	0.2
230.99580	0.3
237.05579	0.3
249.05878	0.1
250.06313	0.4
253.05034	0.2
265.04932	0.2
265.08719	0.1
266.05771	0.6
267.07144	0.5
273.04297	0.3
279.06506	0.2
281.08127	0.8
294.05350	1.6
295.05795	0.4
307.06158	0.2
309.07663	3.8
310.08130	0.4
311.09253	0.2
324.09976	3.9
325.10336	0.5
339.08942	0.2
434.06500	0.3
447.07346	0.3
455.19278	0.3
499.18164	0.6
551.19189	0.2
587.23303	0.2
630.24774	0.2
631.14868	33.3
631.23999	1.2
632.15137	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	629.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94584	0.5
55.01862	0.7
57.03445	0.6
59.01384	12.7
61.98829	3.9
71.01385	3.4
71.05010	2.9
71.52817	0.7
71.53191	1.0
72.99295	1.2
73.02949	1.4
74.42572	0.6
78.95908	0.8
83.01354	0.8
84.03688	0.5
85.02946	3.7
93.03433	1.4
96.96018	2.8
97.02985	0.6
99.00817	0.6
101.02456	1.1
105.31223	0.6
108.02172	55.0
109.02978	12.5
113.02444	1.5
121.02934	0.9
123.00869	1.2
123.04510	0.8
125.02475	0.7
125.09699	3.1
135.04529	1.1
137.09721	2.0
149.02434	5.9
150.03250	4.7
151.03957	0.6
152.01149	100.0
152.99606	0.9
153.01918	5.5
163.04008	5.1
164.04803	1.3
165.05556	7.3
169.17082	0.6
175.03958	0.7
177.01947	0.7
179.03510	1.5
181.05103	0.8
191.05560	0.8
194.45757	0.6
195.06615	6.2
196.07059	1.1
198.28195	0.6
199.09724	1.7
207.03017	0.8
245.04335	0.9
256.56577	0.6
297.06345	0.6
315.07150	2.3
344.12390	1.1
359.14926	9.6
407.17038	5.6
429.10321	12.6
430.10831	1.0
447.11411	5.8
629.20837	98.1
630.21094	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	629.245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08558	1.1
52.96074	1.2
59.01379	100.0
61.98836	1.6
69.82424	1.6
69.82835	4.0
71.01375	2.7
76.02538	1.3
93.03458	1.4
96.96010	11.5
98.19955	1.7
108.02182	21.7
109.02985	6.0
117.48152	1.2
121.02964	3.7
122.03769	4.4
125.09709	1.7
137.09703	1.3
149.02446	35.8
150.03227	38.8
150.04399	2.6
151.03526	1.6
152.01151	47.5
153.01866	2.1
163.03947	2.0
164.04784	15.7
165.05557	56.3
166.05904	1.8
171.70473	1.1
177.01814	1.1
180.04324	3.1
181.05096	4.8
191.05600	2.2
193.08716	4.2
195.04822	2.8
195.06615	53.0
196.07191	4.8
211.09828	4.8
344.12573	12.9
345.13086	1.2
358.50458	1.2
359.14981	85.7
360.15439	6.7
389.16287	2.1
392.18240	1.3
396.97083	1.3
407.17105	53.9
408.17621	4.0
429.10419	5.3
447.11755	4.3
514.71741	1.3
560.26318	1.4
611.20221	1.9
629.21136	46.2
630.21503	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	629.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87328	0.6
53.71976	0.7
56.75480	0.6
57.03453	1.3
59.01381	9.2
59.31268	0.6
61.98825	7.3
68.33335	0.7
69.03446	0.9
71.01377	2.4
71.05022	2.6
71.08753	1.3
72.99296	1.1
73.02927	1.4
85.02941	3.4
87.72414	0.6
88.98822	0.7
89.00830	0.7
89.02458	0.9
93.03498	0.9
95.01385	1.0
96.96015	3.9
99.00877	1.0
100.58208	0.6
101.02429	1.1
107.05028	0.7
108.02177	52.7
109.02356	0.9
109.02975	11.9
113.02424	1.4
121.02950	1.6
122.03754	0.8
125.09724	2.7
135.04541	1.3
137.09698	2.4
149.02473	4.5
150.03223	4.7
151.03937	1.2
152.01154	98.9
152.99506	0.9
153.01894	5.9
161.02429	0.9
161.04590	1.4
163.04016	4.6
164.04758	1.1
165.05551	5.8
166.05943	1.3
177.01909	1.1
179.03506	0.8
195.06599	4.7
196.07037	1.7
199.09732	1.1
207.02965	0.9
209.08220	1.1
211.09586	0.8
245.04286	0.9
297.06329	0.7
315.07080	1.6
344.12674	1.2
359.14905	6.7
407.17151	6.3
429.10394	12.4
430.10910	0.8
447.11398	6.2
448.12460	0.8
497.49536	0.9
502.20636	0.8
607.19794	0.9
629.20880	100.0
630.21130	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	628.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	10.4
61.98829	100.0
62.24102	2.5
68.99581	3.3
69.20132	9.0
69.20545	18.1
71.01389	8.2
73.02935	3.5
74.39021	3.1
77.52608	2.7
85.02930	4.2
93.03466	3.3
96.95975	2.9
98.20658	6.7
101.02442	3.3
112.98529	3.6
113.02458	6.0
135.04477	3.3
191.05551	3.4
299.20123	38.1
317.21329	9.2
407.96481	2.9
461.25525	26.1
462.25839	4.4
521.27539	78.7
522.27911	8.0
546.23419	5.0
586.22473	7.8
628.36584	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	628.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.8
61.98831	82.7
71.01388	4.0
73.02950	8.9
83.01387	1.6
93.03479	1.1
101.02460	4.7
191.05670	2.8
209.11789	1.2
247.13348	1.0
317.21194	100.0
318.21500	9.3
331.22781	3.8
359.22223	2.1
387.78006	1.0
469.06534	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13274	1.0
59.01376	1.4
61.98829	100.0
69.81655	0.9
71.51945	1.5
75.66457	1.1
88.04046	9.1
102.15944	1.1
152.99602	1.0
155.26060	1.0
162.30908	1.0
266.15955	1.2
277.21762	1.3
289.21057	1.1
400.11649	1.2
424.83069	1.1
505.50717	1.3
565.37531	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	629.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87019	3.2
59.01369	6.7
59.15907	3.1
61.80474	3.0
62.69088	3.5
63.19339	3.0
63.80757	3.4
64.59238	2.9
68.23967	3.0
69.29706	30.0
71.01372	6.1
74.41929	2.9
79.95741	14.2
80.96510	5.9
98.20758	4.2
108.02165	43.3
109.02939	23.2
151.03964	3.6
152.01135	85.3
153.01982	19.4
155.10771	23.2
163.04027	4.3
164.04774	64.7
173.04539	4.3
179.07120	58.7
191.05667	11.1
192.36813	3.1
199.09717	6.1
199.88367	3.2
259.02786	100.0
260.03128	5.5
342.71439	3.3
346.96320	3.6
393.17175	3.1
429.10013	6.3
495.38953	4.2
585.21490	5.6
629.10870	3.1
629.20679	83.1
630.20862	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	628.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68076	0.7
51.72265	0.7
59.01381	8.8
61.98831	100.0
71.01375	6.1
73.02945	8.2
75.21938	0.7
83.01418	1.6
89.02449	1.9
98.19859	2.0
101.02438	6.9
107.58565	0.6
113.02462	1.2
129.99663	0.8
141.24802	0.8
151.03337	0.7
152.09142	0.7
155.03513	0.7
184.64626	0.7
196.70387	0.7
230.34117	1.0
251.24309	0.7
299.20163	32.7
300.20578	2.7
332.54819	0.8
405.88730	0.8
461.25583	0.7
479.26578	3.2
521.27545	72.1
522.27924	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	628.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04235	1.9
56.36117	1.9
59.01371	7.0
61.98832	100.0
70.05294	9.1
71.01377	4.7
73.02940	5.2
73.53281	2.1
75.84968	2.1
86.87652	1.9
96.29558	1.8
98.19991	2.6
101.02436	4.4
103.66381	2.1
114.20434	1.6
154.56041	1.9
197.88393	2.0
219.56155	2.0
232.11856	2.0
232.28537	1.9
271.29095	2.4
289.79141	2.1
299.20190	24.8
300.20932	2.2
303.11176	1.8
314.20544	1.9
521.27576	66.9
522.28070	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	627.302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65087	1.1
59.01371	4.1
69.03442	4.5
69.54144	6.9
71.01370	2.1
72.99306	5.9
85.02948	1.8
87.00877	2.5
88.98802	2.5
89.02448	2.2
93.03440	3.8
95.49101	1.3
96.95988	2.9
101.02431	1.4
107.08654	3.9
113.02423	3.2
119.08637	1.7
123.08157	2.1
133.06593	1.4
135.04507	3.7
137.02437	3.4
137.53159	1.3
142.03065	1.3
150.03148	1.4
152.01176	1.5
153.09100	1.5
165.98973	2.2
169.08765	1.2
173.04517	2.5
181.08612	2.5
191.05592	18.4
195.06653	2.8
199.09752	100.0
200.10075	5.0
209.00917	2.3
225.07692	1.7
235.15929	1.1
265.14389	1.6
275.02515	1.2
286.01111	4.0
351.07028	3.2
361.05579	7.2
429.83096	1.2
431.11807	1.3
577.58466	1.3
627.09717	5.7
627.32831	1.5
628.10785	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	627.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	31.0
59.01365	4.1
60.99317	2.2
69.03461	1.5
71.51844	1.1
71.52232	1.1
79.47524	1.0
83.05029	1.0
85.02921	1.1
85.06607	1.0
87.00872	1.5
87.27924	0.8
88.98804	11.4
89.02443	5.3
93.03447	1.4
95.05003	1.2
96.96001	2.7
101.02410	1.5
107.05048	1.5
109.06581	7.2
111.55370	0.9
120.85464	0.9
123.08158	29.1
125.09695	5.1
126.46929	0.9
133.02832	1.0
135.04485	1.9
135.08160	8.4
137.02353	1.5
149.02405	1.2
150.03159	1.8
151.11295	7.3
162.00818	0.9
165.05556	3.1
173.04489	1.7
177.12814	2.3
179.03459	1.7
179.10678	1.5
191.05595	8.5
195.06609	5.4
195.13887	67.6
196.14149	4.2
208.40070	0.9
209.08130	1.6
220.42039	1.0
225.11229	1.9
239.12871	100.0
240.13135	4.9
255.46054	1.0
257.56110	0.9
275.01932	1.4
338.10446	0.9
351.07336	1.1
357.13220	1.8
386.10727	1.0
627.10156	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	627.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49597	5.8
59.01382	12.6
61.98833	27.5
71.52586	6.0
71.53004	10.6
75.34726	7.7
76.11613	6.9
87.00881	12.7
93.52675	6.9
99.04513	11.4
135.04480	8.7
145.21941	6.3
149.06062	27.7
161.75008	6.7
176.08626	5.7
189.09123	9.3
191.05592	9.9
248.14145	29.9
264.13605	21.3
291.19696	33.1
300.42639	6.4
309.20697	76.6
310.21021	6.7
317.21222	100.0
318.21542	13.1
567.06201	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	627.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	1.6
61.81977	1.0
65.97125	0.9
67.21662	1.1
69.70837	1.7
69.71266	3.3
71.01400	2.4
71.10191	0.9
85.02943	3.7
93.03465	1.0
103.92128	0.9
108.02177	54.4
109.02983	10.8
113.02413	1.7
133.02963	1.0
135.04535	1.0
135.08252	1.3
152.01154	100.0
153.01917	5.3
153.09221	8.1
163.03987	3.9
177.01903	1.5
179.03516	1.8
191.05566	3.6
200.30211	0.9
207.02890	1.2
373.47937	1.0
429.10300	13.2
430.10880	1.6
447.11526	8.4
583.20392	15.4
584.20410	1.5
589.78644	1.1
627.19202	72.0
628.19397	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	627.2099
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
59.01379	0.7
70.12369	1.9
70.86777	0.4
73.02934	1.1
98.63104	0.5
102.79391	0.5
105.00962	0.5
127.77746	0.4
153.04956	0.4
437.12671	1.3
438.13132	1.5
451.14163	1.6
452.14731	3.8
453.15140	1.0
465.16489	1.0
466.16193	0.9
481.15009	7.8
481.21051	0.6
482.15411	1.6
484.13797	0.8
493.15457	1.4
494.15967	0.7
495.16702	14.8
496.17252	3.0
508.18100	0.8
509.18326	1.3
512.13202	1.2
521.15161	0.5
523.15942	1.3
525.14459	0.6
526.14752	1.2
533.18274	0.6
535.16205	2.0
536.16956	2.8
537.17578	0.6
539.15656	1.1
540.16571	2.5
541.16223	0.9
551.19360	42.7
552.19714	7.8
554.18280	1.1
555.18756	1.3
568.15753	0.9
572.15363	3.3
573.16119	0.7
586.17029	2.7
595.18219	8.9
596.18671	2.1
627.20880	100.0
628.21179	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	627.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41575	2.1
51.66556	2.0
59.01379	66.4
59.02040	2.4
59.67381	2.2
71.01361	2.4
79.74761	2.5
80.90912	2.1
98.20697	5.0
104.23130	1.9
107.71490	2.0
121.02953	3.0
122.03753	6.5
133.03012	2.3
149.02429	26.0
150.03221	56.6
161.02454	6.1
164.04831	6.6
165.05565	87.5
166.05940	2.8
176.04724	3.0
179.03468	11.2
180.04300	10.9
191.05595	3.5
191.07178	2.3
194.05809	13.1
194.94159	2.3
195.06615	100.0
196.06952	5.5
209.08173	42.5
210.08687	2.8
337.26907	2.1
342.11151	6.0
357.13422	50.8
358.13940	4.6
397.23831	2.3
405.15491	29.5
406.15726	2.7
407.91727	2.2
535.22852	2.8
627.24976	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	627.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03943	1.6
55.28434	1.9
58.99593	1.8
59.01342	5.5
61.09523	2.0
61.98797	3.8
69.49496	11.7
71.01337	7.3
72.99265	2.2
73.02920	3.0
73.69447	1.6
78.60536	1.7
79.95702	4.2
80.96522	13.5
85.02896	6.9
87.00846	2.5
93.03412	5.2
94.98073	3.0
96.95953	5.1
99.00831	1.8
101.02391	2.2
106.98030	1.9
108.02173	58.6
109.02974	16.1
113.02394	4.5
123.00799	3.5
128.03516	2.1
135.04449	3.8
152.01146	100.0
153.01730	8.4
153.09201	10.4
163.03928	4.4
164.98589	3.5
167.03444	2.3
173.04347	1.8
173.52443	1.9
178.58713	1.9
179.03481	2.5
191.05594	22.4
225.00516	3.6
315.06912	3.2
353.08511	3.2
429.10242	19.2
447.11472	12.1
504.07147	2.0
547.14325	4.0
583.20233	18.7
627.18451	68.8
627.26678	12.1
628.19458	11.4
654.94507	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	627.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	32.6
64.66500	1.2
65.03946	2.3
67.01875	1.4
69.98569	4.7
71.01373	1.5
71.34126	1.2
75.00887	1.2
85.02937	2.5
87.65592	1.4
91.01897	27.8
96.96015	3.5
108.02153	1.8
109.02956	31.5
117.38895	1.4
121.02969	5.6
133.02942	2.1
135.00887	100.0
135.04486	1.6
136.01256	1.4
137.02422	4.1
149.02405	1.7
153.01932	94.4
154.02228	3.0
157.89667	1.2
165.05583	1.5
173.04410	1.5
173.60764	1.7
175.04004	2.9
177.01907	4.6
191.05612	7.7
209.04556	3.7
243.06601	15.4
264.03809	1.4
297.06137	68.9
298.06473	3.3
361.05594	3.7
395.48163	1.5
405.11880	68.0
406.12134	5.6
515.31372	1.5
547.14282	1.8
633.50006	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	627.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06631	0.5
57.03448	0.5
59.01376	4.5
60.99305	0.8
61.98833	2.1
67.01884	1.1
68.99818	0.6
69.03465	0.5
69.55717	0.8
69.56033	2.8
71.01386	1.4
73.02917	0.4
74.09380	0.4
79.63893	0.4
79.95754	2.7
80.96518	0.5
81.03437	0.5
83.05023	0.5
83.88196	0.4
85.02946	10.0
86.03255	0.4
87.00877	3.7
89.16605	0.4
93.03457	10.6
96.96006	5.0
99.04517	0.7
101.34406	0.4
103.94958	0.4
105.03458	1.1
107.04974	0.5
108.02192	0.9
109.02940	2.5
111.04504	2.9
122.03727	0.5
123.00912	0.6
123.04552	1.0
124.01665	0.8
125.02391	0.7
127.04020	2.3
127.24555	0.5
130.08171	0.5
132.02159	1.4
133.01410	0.6
133.02953	11.1
134.03716	1.9
135.04518	35.2
136.04887	1.0
137.02451	1.0
138.03282	0.7
149.02423	0.8
150.03212	1.7
151.04008	1.8
152.01147	0.5
153.01915	0.4
155.03465	0.7
160.01634	2.0
161.02457	4.9
162.03229	2.8
163.04018	0.8
165.05626	0.5
171.03003	0.6
173.04553	7.7
177.01944	4.7
177.05513	2.8
178.02689	1.5
179.03490	7.0
180.04272	5.5
187.75769	0.4
191.05602	100.0
192.05972	3.1
193.05058	2.8
195.06595	9.3
207.06572	0.6
208.07037	0.6
215.05571	5.1
264.40582	0.5
275.02298	16.5
276.02441	0.8
307.08139	1.2
325.07092	0.5
351.07190	16.0
352.07571	1.6
353.08798	2.3
355.08133	1.4
397.20917	0.4
405.15506	7.6
458.24823	0.6
529.13672	0.9
529.29742	0.4
547.14545	13.3
548.14838	1.7
597.55463	0.5
609.08734	1.2
627.10187	68.1
628.10370	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	625.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00569	1.1
58.66485	0.8
59.01382	20.7
69.03436	1.3
71.01381	13.2
71.52663	1.2
72.99315	1.2
73.02944	2.2
80.02666	1.5
81.03458	2.4
82.41327	0.8
83.01382	1.6
83.05026	6.1
84.02151	1.5
85.02948	3.4
87.00874	4.4
89.02451	15.2
96.96019	1.2
97.02959	1.8
99.00870	1.4
101.02451	12.5
113.02477	4.5
119.03497	4.9
121.16815	0.7
125.02451	4.4
135.04413	1.0
135.08127	1.1
143.03477	2.3
161.04538	2.4
163.11278	5.1
164.23759	0.7
165.12823	3.0
179.05603	2.5
179.07013	0.8
181.12321	1.1
191.05615	2.5
191.10754	1.0
209.11819	100.0
210.12175	6.7
217.07246	1.0
221.06621	1.7
227.12875	19.4
228.13213	1.5
235.08186	5.1
235.19743	0.7
253.09196	1.7
263.07721	0.7
287.07718	1.8
305.08688	0.9
321.95789	0.8
397.13467	32.9
398.14017	1.6
415.14590	19.6
416.14899	1.4
607.26440	1.0
625.24152	1.0
625.39679	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4234
Annotation	urushiol dimer
Peak:m/z	Relative Intensity
53.39521	0.5
57.24931	0.4
61.98829	8.8
69.29739	4.0
70.28912	0.5
74.92163	0.5
78.95885	0.6
89.35786	0.5
94.37697	0.5
98.19899	0.9
116.21566	0.5
143.62398	0.5
161.71313	0.5
186.67911	0.5
255.23080	0.6
301.21710	100.0
302.22073	7.5
361.23865	1.3
530.65741	0.6
625.42395	87.5
626.42657	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	625.4236
Annotation	urushiol dimer
Peak:m/z	Relative Intensity
55.43492	0.4
61.57608	0.5
70.84474	1.0
123.16277	0.4
129.03185	0.4
143.49707	0.4
162.02748	0.4
190.52246	0.5
301.21710	100.0
302.22070	8.4
462.62085	0.5
625.42365	92.7
626.42694	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	625.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	3.5
69.40628	3.0
71.10602	0.3
75.15126	0.3
85.00131	0.4
94.99642	0.4
98.19815	0.8
104.96999	0.5
116.23081	0.4
121.92581	0.5
255.23367	0.4
301.21698	100.0
302.22034	8.9
302.24655	0.3
625.42352	91.7
626.42676	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	626.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.4
58.69081	1.3
59.01381	100.0
60.01715	1.3
61.98833	31.7
68.99570	4.0
69.50726	8.9
71.01382	32.6
71.68884	1.2
73.02943	17.0
78.44161	1.1
83.01382	7.0
85.02937	7.8
87.00893	1.9
89.02444	10.5
89.80954	1.3
93.03443	2.4
95.01398	3.4
96.96034	3.5
101.02437	20.4
101.03095	2.0
112.98554	3.2
113.02460	16.6
115.07653	13.1
119.03516	3.0
125.02472	1.8
131.03502	2.4
135.04524	1.7
136.07738	1.4
143.03503	1.6
149.04567	1.3
149.06033	1.4
153.12889	1.3
158.11856	2.8
161.02460	1.3
161.04555	8.3
162.04813	1.5
165.12898	3.0
173.04527	2.1
176.07126	2.7
183.13979	1.9
190.21126	1.2
191.05595	5.7
192.06625	2.2
194.15485	4.7
202.53107	1.2
209.11897	3.0
220.06108	5.4
227.12881	19.1
241.14304	1.4
270.17038	4.1
276.32440	1.4
280.08313	7.7
281.21506	1.4
287.02161	1.2
302.16144	3.7
306.20636	2.1
361.24094	1.9
404.28006	8.8
405.28275	2.3
414.21271	9.1
432.22360	2.7
443.43021	1.4
465.79358	1.6
542.61060	1.7
548.32379	3.4
566.33173	5.9
584.35016	1.3
626.26459	3.0
626.35382	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	625.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
58.00603	0.9
59.01380	18.2
59.25466	0.7
59.40293	0.7
61.98798	0.9
66.01278	0.8
69.03444	1.2
69.62734	1.5
69.63136	4.2
71.01378	12.5
72.99315	1.1
73.02946	2.5
80.02682	0.8
81.03458	2.3
83.01384	2.4
83.05029	5.8
84.02148	1.7
85.02946	3.6
87.00874	3.5
87.01394	0.7
89.02440	14.3
93.03468	1.7
95.01315	1.1
95.04982	1.1
97.02949	2.5
101.02437	10.6
113.02419	4.8
119.03530	4.0
125.02451	4.4
125.06062	1.0
135.04492	0.8
140.00363	0.8
143.03513	1.8
155.54146	0.7
161.04523	2.9
163.11266	5.2
165.12794	1.8
179.05620	2.2
191.05630	2.6
191.10684	0.9
205.89011	0.7
209.11813	100.0
210.12173	5.1
221.06650	1.0
227.12874	17.0
228.13123	1.2
235.08231	4.0
277.09528	1.0
287.07834	0.9
305.08762	1.5
323.09485	0.9
397.13486	27.8
398.13663	2.0
415.14563	18.0
416.14944	1.5
456.06555	0.8
521.32172	1.0
581.70465	0.9
591.56824	0.8
624.40442	0.9
625.26208	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02550	6.8
59.01377	58.9
59.60093	6.3
67.44357	7.9
69.41940	56.9
71.01367	26.7
72.12071	6.8
73.02935	9.1
79.95696	7.6
80.43885	7.0
85.02941	15.1
87.04115	6.9
88.98822	11.0
93.03442	7.5
94.05706	7.3
95.95243	8.5
96.96002	17.3
101.02422	18.8
113.02431	16.5
121.02921	8.2
122.03724	10.3
130.47092	6.7
133.02910	10.8
136.01671	9.3
141.46538	7.1
149.02469	44.1
150.03233	60.9
152.01138	12.7
164.04755	14.3
165.05569	52.9
191.05605	29.9
195.06598	24.3
199.61554	7.4
227.12950	8.4
325.13113	17.5
329.13968	13.1
374.85870	7.5
449.15433	7.9
473.18228	100.0
474.18127	10.8
491.19153	49.3
492.19772	10.6
533.20398	70.6
539.21667	9.0
581.22034	28.1
625.16833	20.4
639.43036	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	625.2666
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
50.12768	1.1
54.59909	1.0
61.98855	1.1
68.22265	1.2
78.93200	1.1
98.19782	2.1
99.04500	1.7
113.70103	1.1
138.57141	1.0
149.66666	1.0
191.05612	1.4
192.53859	1.1
211.08757	1.2
213.10335	10.5
219.10094	1.3
229.50500	1.3
239.11787	1.3
262.73035	1.3
299.13947	2.2
300.83838	1.1
315.10056	1.5
325.11865	1.2
328.10916	1.3
355.13043	1.4
372.13480	1.2
405.14304	1.8
420.16409	1.5
432.12692	1.5
433.12952	4.9
434.13400	1.8
435.14047	1.5
447.14609	3.9
448.15378	13.1
449.15927	7.7
463.17737	19.7
464.18222	4.0
477.19208	4.0
478.20139	2.9
479.20871	17.2
480.21136	2.2
491.17197	34.7
492.17511	4.4
505.18835	4.9
506.19553	10.3
507.20105	6.8
519.20557	1.6
520.20953	2.1
523.19922	3.5
524.19348	1.2
538.22241	39.6
539.22760	11.2
593.23975	11.3
594.24713	1.4
625.26654	100.0
626.26733	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	623.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27002	3.3
59.01381	100.0
61.98823	5.7
71.01381	21.3
71.52302	4.8
72.99309	6.3
73.02932	5.1
83.01426	5.3
85.02956	19.4
89.02445	8.6
96.96033	8.6
96.96974	4.1
98.20039	3.7
101.02435	10.2
113.02450	20.1
119.05035	58.3
123.08096	3.6
145.09627	3.4
152.01082	4.7
163.04005	34.5
191.05623	9.2
204.43462	4.2
209.11845	9.3
227.12627	3.9
233.11830	5.8
359.27921	10.4
392.31137	4.6
422.76331	4.6
439.12271	7.9
457.13492	29.7
503.32312	96.5
504.32574	14.2
521.33405	30.8
563.34137	18.6
619.93341	4.0
623.22931	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	624.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
71.53033	1.5
78.29687	0.8
85.24416	0.7
86.37554	0.8
86.92913	1.1
114.96700	0.9
301.21710	36.2
377.28851	1.0
565.23254	1.4
625.42371	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.18728	45.9
69.19152	21.7
71.17318	6.9
101.35671	6.5
127.25913	7.2
138.46799	6.6
150.83113	6.8
158.94814	5.9
397.87015	7.5
406.81558	7.2
453.02466	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	623.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
71.01364	29.3
71.18394	11.3
71.18720	12.0
73.02933	34.6
85.02986	13.0
93.03465	14.7
96.96021	33.0
101.02467	26.7
101.16605	9.9
112.07595	9.2
113.02466	12.5
122.03759	14.3
136.01620	17.7
143.67378	10.9
149.02429	37.9
150.03223	61.5
151.03989	14.7
155.57872	9.3
164.04752	22.3
165.05585	78.2
186.20970	10.6
191.05609	35.4
195.06589	46.6
283.09702	9.5
312.10010	13.4
327.12390	83.7
425.18057	10.1
471.16443	16.5
531.18744	13.6
579.21393	16.6
623.15198	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	623.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27002	3.3
59.01381	100.0
61.98823	5.7
71.01381	21.3
71.52302	4.8
72.99309	6.3
73.02932	5.1
83.01426	5.3
85.02956	19.4
89.02445	8.6
96.96033	8.6
96.96974	4.1
98.20039	3.7
101.02435	10.2
113.02450	20.1
119.05035	58.3
123.08096	3.6
145.09627	3.4
152.01082	4.7
163.04005	34.5
191.05623	9.2
204.43462	4.2
209.11845	9.3
227.12627	3.9
233.11830	5.8
359.27921	10.4
392.31137	4.6
422.76331	4.6
439.12271	7.9
457.13492	29.7
503.32312	96.5
504.32574	14.2
521.33405	30.8
563.34137	18.6
619.93341	4.0
623.22931	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	622.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22485	1.4
53.22756	1.6
54.89541	1.4
61.98827	100.0
69.79794	6.9
78.95908	2.6
93.11599	1.2
105.33161	1.4
105.47561	1.4
105.48267	1.4
140.76875	1.6
152.99437	1.5
157.08685	1.5
385.12823	1.5
386.13037	2.5
445.27939	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	622.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98018	0.8
52.38818	0.7
61.98819	3.5
70.31578	0.7
70.31934	2.6
75.50659	0.6
79.91685	0.6
81.87603	0.7
92.22377	0.6
98.10374	0.7
101.22086	0.7
120.57731	0.7
131.49405	0.7
169.01387	0.9
199.18094	0.7
243.17125	1.7
244.17467	1.9
317.21182	100.0
318.21490	8.6
541.83887	0.7
573.70630	0.9
600.04651	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87261	4.7
57.61969	4.3
71.06274	5.6
71.06593	7.7
78.95907	9.5
93.14251	4.1
116.92882	48.2
125.02415	13.3
152.99615	7.5
164.53201	4.4
169.01411	17.7
276.85440	4.9
356.59982	4.5
443.18674	6.7
445.20810	11.0
457.20361	5.9
458.21140	9.6
459.21738	20.9
461.23846	6.9
462.24060	5.5
469.05222	11.0
469.55359	9.0
471.17569	7.3
473.19363	15.4
474.20898	23.1
485.19806	10.5
486.20670	30.5
488.18536	15.9
489.18652	80.9
490.19873	9.1
501.22989	100.0
502.23029	18.5
503.20508	10.9
504.22299	7.3
516.17871	20.1
518.23077	32.8
527.20721	7.8
533.25830	58.2
534.25616	13.2
545.21893	66.2
546.21881	10.8
548.20630	94.3
549.21271	13.9
559.23730	14.4
562.22119	21.2
577.24463	21.1
621.23590	85.3
622.23743	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	622.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45824	2.4
50.51165	2.0
59.01379	4.6
61.98832	37.9
69.03444	3.0
69.34613	13.7
69.35034	4.3
87.24049	2.3
88.98760	2.6
99.04471	5.2
107.48400	2.2
115.59322	2.4
115.74971	2.0
121.06596	2.5
125.02427	3.2
125.44011	2.4
134.03735	2.9
149.06078	7.8
150.06453	3.3
151.07607	5.3
169.01352	2.7
171.11768	5.4
182.04060	8.0
183.13899	5.8
189.12848	16.7
214.03038	3.8
233.11804	5.0
245.08188	2.8
277.10812	100.0
278.11072	6.5
281.12180	39.7
282.12335	3.2
402.42252	2.6
447.18204	3.6
448.18414	4.6
469.04578	2.1
522.18018	3.2
559.23639	5.8
622.23846	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	622.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01532	0.3
56.26406	0.4
59.01363	1.3
59.10684	0.5
60.99294	0.8
61.98829	31.2
71.05052	0.5
71.52288	0.6
78.95902	100.0
88.98804	5.1
89.02426	0.8
96.96960	5.3
97.02992	0.5
101.02444	0.6
109.06600	0.8
119.94674	0.5
121.84346	0.4
122.06182	0.4
125.02417	0.6
139.00348	0.4
152.99562	1.6
156.47626	0.4
163.11128	0.5
167.14384	1.3
169.01439	0.9
169.12329	4.7
171.00636	63.4
172.01001	0.5
185.09941	0.4
191.05493	0.4
207.10242	3.2
211.13449	2.2
214.72137	0.4
225.11343	1.8
229.14513	2.8
238.14400	0.6
241.18071	1.1
280.15573	1.5
283.19189	3.7
317.21204	0.6
352.21054	0.7
397.13303	0.9
417.25638	0.4
418.26511	1.2
450.28574	0.4
622.32910	0.5
623.25385	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	621.235
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	6.3
70.74522	3.8
70.74844	6.4
75.94217	3.1
78.95902	4.4
109.14965	3.1
125.02410	5.9
126.67745	3.3
169.01404	8.0
186.50685	3.1
255.23352	3.2
281.95200	3.6
309.08215	3.4
389.87454	3.6
415.18628	3.7
429.17151	4.3
431.14493	4.5
432.66156	3.1
442.17911	5.4
443.18799	4.8
444.19586	8.5
445.20361	11.4
446.21286	5.5
457.20236	8.4
458.20871	8.0
459.22223	18.6
461.23666	7.4
469.05228	5.7
471.18243	10.1
473.23160	6.7
474.20978	25.2
475.20996	5.3
485.19815	16.2
486.20624	46.2
487.20773	4.1
488.18555	7.7
489.18597	11.3
489.23032	18.8
490.23560	5.2
499.21002	4.7
501.22995	100.0
502.23340	17.0
516.17670	13.5
518.22955	16.7
527.20892	14.0
533.25928	32.5
534.25671	5.3
545.21838	61.8
546.22266	6.2
548.20386	19.1
559.23456	15.3
562.22308	10.4
577.24329	28.2
621.23657	36.2
622.23456	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	621.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79396	0.5
56.53009	0.4
57.03439	0.5
59.01381	2.2
61.98830	6.6
64.94902	0.9
64.95247	17.3
67.01889	1.0
69.03454	3.6
69.58361	2.1
69.58775	0.7
70.54800	0.4
71.01400	1.2
73.02966	0.4
75.00866	1.2
83.05032	1.8
84.73692	0.4
85.02953	0.7
93.03455	0.9
95.05006	0.7
96.95985	0.4
97.02959	0.7
99.04543	0.8
101.02448	0.8
105.07103	1.1
107.05012	1.6
107.08659	1.5
115.92095	0.7
116.92841	0.9
119.08717	0.6
121.06570	1.6
123.00909	0.7
123.08167	0.6
125.02443	4.6
133.06567	0.8
133.10255	2.1
135.08168	1.5
145.10236	0.7
146.04642	1.0
147.08128	0.7
149.06100	0.7
151.07646	8.2
155.08519	0.5
159.08066	0.8
161.09750	0.6
166.09528	0.5
169.01393	4.8
170.88011	0.4
171.10245	5.0
171.11777	8.1
173.04433	0.4
173.09671	3.7
174.10393	1.2
187.11296	2.3
189.12836	30.0
190.13185	1.4
191.05620	1.1
191.10658	0.5
192.85919	0.5
203.09019	0.6
203.10834	0.6
215.10771	3.1
231.10233	0.4
233.11813	10.0
239.85124	0.5
269.83292	0.4
277.10788	100.0
278.11139	6.8
309.07916	0.7
343.06747	25.7
344.07108	1.9
469.05176	5.6
469.55121	1.4
470.05710	0.5
590.90338	0.6
621.18896	2.0
621.32672	2.3
622.17755	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45986	1.5
51.18007	2.0
59.01377	4.3
59.35425	1.7
61.98827	3.7
65.54368	1.9
69.28207	12.9
69.28635	3.9
72.99304	8.4
75.00859	6.7
87.00838	2.7
104.03574	2.7
105.01934	100.0
141.14320	2.2
164.04785	3.5
165.05016	3.0
179.07173	3.2
406.48947	2.1
453.55420	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	620.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19404	4.3
59.01392	5.1
61.98831	54.0
69.03449	5.5
69.61151	22.4
78.95911	4.8
83.55537	3.6
98.20667	8.1
110.09639	4.2
123.00897	7.3
125.02443	29.5
136.78496	3.7
164.70128	4.4
166.99855	4.7
169.01421	41.1
171.11880	5.7
180.02454	14.4
189.12883	26.9
191.05608	9.3
233.11754	7.0
277.10794	100.0
278.10995	8.9
279.10577	90.6
281.12091	11.4
393.04608	6.1
424.03354	4.6
469.05121	47.6
501.23721	4.2
610.77979	5.3
619.78180	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	619.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.5
59.01379	6.2
61.98814	2.4
65.33248	1.1
69.03453	5.6
71.00365	1.7
71.00731	2.5
71.01384	1.5
81.03477	1.3
85.02952	1.6
89.82509	1.0
95.05014	1.4
96.95986	1.2
97.02928	1.9
99.04519	100.0
100.04858	1.7
121.02932	7.7
121.06606	1.5
123.93552	1.1
125.05991	1.1
133.06622	1.9
145.06554	3.1
153.09215	1.7
157.06567	2.6
159.32222	1.1
161.09712	5.6
163.07683	2.8
165.12839	3.7
173.09746	1.2
175.07693	1.3
175.11249	1.1
181.12370	4.2
185.09692	3.9
187.07663	1.5
191.10799	10.4
197.09752	6.1
203.08980	2.2
203.10762	25.2
209.04582	6.5
209.11815	62.6
210.12175	4.4
215.10716	4.0
223.07471	1.5
247.09755	28.4
248.09930	2.2
255.03163	1.9
259.09723	7.4
277.10846	7.8
279.12512	6.3
291.12503	1.6
300.02603	1.2
306.31235	1.3
309.13507	2.8
331.59113	1.1
338.91153	1.2
342.86606	1.3
489.26819	2.4
531.27637	1.2
543.08081	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.0
60.42666	0.8
61.98827	13.4
70.13519	0.8
71.52321	1.0
71.52789	1.2
83.75858	0.7
85.02945	1.3
85.03493	0.8
88.98808	0.8
93.03452	1.3
93.28867	0.8
96.96000	1.4
99.04520	30.0
108.13313	1.2
109.02897	1.0
116.92815	1.3
122.03793	0.8
146.18565	0.9
149.06117	1.1
161.02454	0.8
181.12285	1.1
191.05580	3.0
224.43697	0.8
225.11360	1.0
249.14809	1.4
255.02994	1.0
315.19629	58.2
316.19986	3.7
357.03607	0.8
393.33701	0.9
415.24893	100.0
416.25281	10.7
619.31158	3.2
620.32092	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17475	0.2
57.03456	1.7
59.01373	0.5
61.98821	0.4
62.29470	0.2
62.36649	0.2
64.26251	0.2
67.01891	3.9
70.25100	0.2
71.01389	0.4
79.95737	0.6
80.91682	0.7
80.96463	0.3
83.01360	0.3
85.02954	1.7
87.00873	9.4
95.95235	0.4
96.71137	0.2
96.96015	5.2
98.95591	1.2
98.96450	0.4
101.02438	0.4
111.00879	100.0
112.01212	2.4
121.02974	0.3
122.03729	1.6
122.97618	0.3
129.01932	0.5
130.08739	0.5
136.01698	1.0
136.46983	0.2
146.03749	1.0
151.04025	0.8
151.07593	0.3
154.99908	0.7
161.06105	0.4
161.63268	0.2
164.04826	0.7
166.06412	0.3
172.09850	0.5
173.00899	14.4
174.01364	0.4
176.08469	0.4
179.07214	0.7
181.04932	0.3
181.07803	0.3
191.05719	0.7
191.10838	0.7
236.05568	0.4
265.14697	0.7
282.09296	0.2
283.15500	2.0
288.25436	0.3
297.11508	0.3
397.13156	0.7
437.08197	0.3
439.07712	0.5
445.21298	0.3
541.75513	0.2
548.68347	0.3
619.23602	8.0
620.23981	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.256
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
61.98843	3.2
63.79704	1.6
64.31968	1.4
69.58913	4.7
69.59344	4.9
78.95902	4.4
81.08887	1.4
152.99519	3.6
182.01967	1.4
255.23213	3.1
329.97037	1.6
356.40775	1.5
415.15683	3.3
416.16324	13.2
422.13544	1.6
429.17322	2.7
430.17825	1.8
450.69229	1.6
459.18253	100.0
460.18692	9.5
473.19809	15.7
474.20612	7.3
481.62296	1.6
501.19574	2.2
518.19574	47.8
519.20007	6.0
532.21063	9.3
533.21930	83.0
534.22247	11.1
587.22797	5.3
619.25598	76.5
620.26184	12.2
641.39380	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56442	0.2
59.01377	1.7
61.98830	0.8
65.15543	0.2
69.29898	1.8
71.01375	1.0
73.77314	0.3
74.99110	0.5
78.95921	0.3
79.88292	0.2
85.02953	0.5
89.02452	0.6
94.62708	0.3
96.96009	2.3
99.04539	0.5
100.24670	0.3
101.02448	0.6
102.98556	0.3
113.02479	0.6
116.67632	0.3
116.92808	0.3
118.98092	1.9
120.99654	100.0
121.99984	0.8
148.46255	0.3
152.29912	0.3
178.63902	0.4
191.05602	0.7
192.05991	0.3
195.06726	0.3
216.77942	0.3
305.08722	0.3
427.08844	0.6
434.66675	0.3
481.15393	0.7
499.16425	24.0
500.16794	2.1
500.66440	0.3
527.14069	1.6
559.27917	0.5
619.15869	0.9
619.27759	0.3
626.45630	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56594	0.4
59.01376	1.6
67.01901	1.2
69.62375	2.8
71.01363	0.6
79.95737	21.4
80.96518	4.0
85.02957	0.7
87.00879	1.8
94.74481	0.5
94.98072	1.5
95.90320	0.4
95.94612	0.9
95.95234	21.4
96.96011	100.0
98.20581	0.8
98.95602	0.9
110.97592	2.8
111.00880	19.8
121.02956	7.3
122.03726	1.0
122.97582	14.3
129.36021	0.5
131.07152	0.9
135.04456	0.6
136.01666	0.5
138.97066	0.8
141.95737	0.7
149.02438	1.8
150.03258	0.7
151.03992	1.2
162.03242	1.7
163.03969	0.7
164.04749	1.6
165.05547	1.6
165.21791	0.5
166.06346	26.1
167.06743	0.7
170.17451	0.4
173.00920	2.5
177.05571	2.0
177.09140	0.5
179.03506	0.6
181.08696	6.9
191.05591	1.3
207.06796	0.5
214.60384	0.4
236.05684	1.1
237.06013	0.8
257.01279	0.4
258.01862	0.6
259.01321	1.0
274.01563	0.5
275.02328	7.4
294.90421	0.4
421.08444	0.6
437.07520	14.6
438.07959	1.1
457.11432	2.3
619.16931	85.5
620.17316	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	617.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.4
58.75087	0.3
59.01381	14.5
61.98834	0.4
69.57024	2.0
71.01382	6.0
72.99306	0.5
74.84598	0.3
77.75771	0.3
78.91897	0.4
79.95734	7.6
80.96515	1.7
83.01366	0.5
85.02953	1.5
89.02445	6.4
94.98065	0.4
95.01389	0.5
95.95234	6.6
96.96010	100.0
97.80367	0.3
101.02442	4.0
110.97532	0.4
113.02421	1.7
119.03492	1.9
122.97578	3.5
125.02402	0.3
131.05103	0.3
136.01616	0.4
137.02473	0.3
150.03220	2.6
162.03227	1.3
163.03966	0.5
165.05571	1.2
170.15329	0.3
177.05585	0.9
179.05600	0.5
180.04323	0.3
191.05759	0.4
195.06725	0.5
200.92790	0.3
258.01993	0.9
275.02286	7.8
439.10669	4.0
617.15405	50.8
618.15802	5.6
618.25232	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65473	0.7
55.01859	1.2
56.52011	0.8
57.03446	1.1
57.16531	0.7
59.01379	81.5
60.01690	1.5
61.98808	0.9
69.03443	2.6
69.49059	4.9
71.01378	24.2
72.99335	1.7
73.02949	5.4
83.01374	3.6
85.02956	8.8
87.00852	1.8
89.02442	23.8
95.01394	1.9
96.96012	3.2
98.19950	1.5
99.00895	1.0
101.02447	14.9
103.03984	1.7
113.02445	9.2
119.03465	5.4
131.03476	2.6
137.18156	0.9
149.04553	23.7
161.04556	1.7
171.10295	1.4
179.05531	1.6
209.11758	1.4
220.84744	0.8
381.19040	2.2
382.67490	0.9
399.20248	5.2
441.21262	100.0
442.21585	10.6
531.24561	2.4
573.25482	21.3
574.25781	2.6
617.16241	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06974	0.5
59.01384	0.9
61.50420	0.5
64.97026	0.9
67.61894	0.6
69.73367	1.0
69.73785	1.9
79.95737	27.8
80.96516	4.5
84.19328	0.5
94.49881	0.5
94.98094	2.4
95.95234	15.4
95.95813	0.9
96.96011	91.2
98.20589	0.8
110.97570	1.9
122.97582	22.7
134.03845	0.7
135.04504	2.2
136.01686	1.3
141.95847	0.7
145.02946	1.9
146.03735	47.1
147.04340	2.0
149.02460	2.8
150.03220	2.3
151.03941	0.8
161.06081	15.3
162.03265	4.4
163.03989	2.0
164.04790	36.1
165.05530	3.1
177.05554	4.9
179.07137	35.9
180.07532	0.7
193.04996	0.6
257.01202	1.6
258.02075	0.6
275.02338	6.4
334.01065	0.5
384.65790	0.8
396.29388	0.6
437.07571	42.8
438.08002	2.1
455.10083	2.1
507.06500	0.6
547.45782	0.6
595.63574	0.7
617.15436	100.0
618.15845	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	617.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.9
61.98815	0.8
64.67268	0.5
69.56377	2.1
69.56782	1.2
71.01374	1.0
75.01460	0.5
78.91890	1.2
79.95731	21.5
80.96513	3.6
89.02457	0.8
94.98081	1.2
95.95229	13.1
96.96006	94.2
107.32806	0.5
110.97575	1.0
122.97580	12.9
129.25266	0.5
135.04532	1.4
136.01572	0.7
141.95787	0.5
145.02936	1.7
146.03729	46.1
147.04259	2.5
147.05574	0.5
149.02425	1.3
150.03207	1.1
151.04019	0.7
161.06067	14.5
162.03195	2.6
162.06377	0.8
163.03990	1.5
164.04785	33.3
165.05531	1.4
177.05568	2.0
179.07123	32.7
180.07469	1.4
210.09892	0.5
210.56282	0.5
219.23544	0.5
236.05635	1.0
259.01349	0.9
275.02280	6.3
327.10733	0.6
437.07541	24.3
438.07986	1.4
455.10080	2.3
617.15381	100.0
618.15723	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	616.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	25.5
61.66950	0.3
61.98830	100.0
66.57187	0.3
70.64640	1.0
71.01395	1.4
71.02939	0.3
73.02985	0.7
82.80704	0.3
85.02967	0.8
101.02451	1.2
101.78960	0.3
113.02448	0.6
161.04614	0.7
171.10287	0.8
183.13881	0.6
191.05670	0.8
262.35419	0.4
304.48227	0.3
381.26553	0.4
467.30264	1.1
469.06476	0.3
509.01312	0.4
509.31305	2.4
510.31723	0.6
513.30322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48746	0.4
51.52082	0.3
53.28538	0.3
59.01372	1.6
71.01379	1.1
72.86251	0.3
72.99339	0.5
74.99099	0.7
77.65057	0.4
79.95736	2.3
85.02956	0.4
89.02432	0.5
96.96011	100.0
99.04532	0.5
101.02448	0.6
108.02165	1.0
110.89630	0.3
113.02411	0.9
118.98090	5.5
120.99653	49.1
137.02420	0.9
139.33992	0.3
152.01151	0.8
153.01471	0.4
191.05521	0.5
202.02702	1.2
251.16475	3.2
284.80725	0.4
302.57071	0.4
389.66177	0.4
395.20758	1.8
413.21820	3.1
455.22791	1.5
479.13947	0.4
497.14853	19.2
498.15118	2.1
519.20978	1.4
525.12866	0.5
617.14899	0.8
617.23706	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	617.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48746	0.4
51.52082	0.3
53.28538	0.3
59.01372	1.6
71.01379	1.1
72.86251	0.3
72.99339	0.5
74.99099	0.7
77.65057	0.4
79.95736	2.3
85.02956	0.4
89.02432	0.5
96.96011	100.0
99.04532	0.5
101.02448	0.6
108.02165	1.0
110.89630	0.3
113.02411	0.9
118.98090	5.5
120.99653	49.1
137.02420	0.9
139.33992	0.3
152.01151	0.8
153.01471	0.4
191.05521	0.5
202.02702	1.2
251.16475	3.2
284.80725	0.4
302.57071	0.4
389.66177	0.4
395.20758	1.8
413.21820	3.1
455.22791	1.5
479.13947	0.4
497.14853	19.2
498.15118	2.1
519.20978	1.4
525.12866	0.5
617.14899	0.8
617.23706	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	615.405
Annotation	Fucoxanthinol
Peak:m/z	Relative Intensity
55.86245	4.0
57.03442	61.1
59.01376	50.0
78.95894	7.7
83.05041	12.9
109.06628	7.4
137.09717	11.3
161.09683	6.5
171.08218	6.3
207.13812	5.7
227.14400	10.4
242.69569	5.7
245.15430	7.0
285.18509	5.6
302.69101	6.1
374.53683	5.3
435.28799	10.8
473.30286	6.4
513.34204	8.4
539.35321	10.1
543.36163	7.6
557.36243	22.5
561.37103	16.1
579.38403	59.6
580.38629	12.2
597.39423	73.9
598.39606	10.3
611.01471	4.8
615.40698	100.0
616.41040	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	616.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46868	0.5
53.12103	0.6
56.37047	0.5
59.01382	29.6
61.98830	100.0
62.07008	0.5
68.10392	0.5
71.01386	1.8
71.52724	0.8
74.81329	0.5
77.27297	0.5
88.39765	0.6
88.98737	0.5
96.60616	0.5
96.96031	0.7
101.02474	0.9
113.02434	0.8
161.04512	0.8
171.10362	0.7
183.14078	0.7
191.05537	0.6
258.51199	0.5
280.08551	0.6
303.19519	0.6
357.01495	0.6
467.29944	0.7
509.31073	6.9
510.31662	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.9
69.03458	0.8
71.01377	2.5
72.99295	0.6
73.02954	0.7
85.02952	2.5
87.00881	0.7
95.01389	1.4
96.96020	4.3
99.00914	1.0
101.02415	1.0
108.02170	45.9
109.02979	9.5
113.02485	1.2
121.02959	0.7
123.04495	0.9
125.02456	0.9
135.04546	1.0
137.02449	0.9
139.11322	1.1
149.99571	0.7
151.03976	0.8
152.01146	96.6
153.01889	4.7
163.03992	3.5
168.00635	2.0
185.11821	6.4
191.05594	1.0
201.11140	0.8
207.02931	1.3
297.06458	0.7
313.58344	0.6
315.07248	1.2
429.10321	11.7
430.10455	1.2
447.11014	3.9
615.22900	100.0
616.23212	10.3
634.65198	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.9
70.96400	1.2
70.96741	0.8
71.01386	1.9
72.99328	1.0
73.02939	0.9
84.47113	0.7
85.02961	2.0
89.02420	0.7
93.03434	1.7
95.01377	0.9
96.96008	4.3
97.02995	0.7
101.02437	1.2
104.43732	0.6
108.02174	52.4
109.02992	10.1
112.48055	0.7
113.02403	1.4
127.14810	0.7
134.03735	0.7
135.04523	1.1
139.11263	1.2
141.12950	0.7
149.99669	0.7
152.01146	100.0
153.01923	4.8
161.04549	0.9
163.03970	3.1
168.00674	1.7
179.03465	1.1
185.11823	7.4
191.05586	1.2
201.11191	0.6
207.02963	0.6
217.04982	0.7
315.07416	1.6
332.00513	0.7
426.97397	0.6
429.10352	13.4
430.10626	1.5
447.11188	4.3
448.11850	0.9
615.22925	98.4
616.23114	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	611.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.9
61.98822	15.1
71.12134	13.1
93.03461	6.0
167.41286	6.2
171.10255	12.7
173.04512	11.7
182.47260	5.3
191.05666	7.2
197.41017	6.1
248.13983	8.2
275.20120	25.8
283.13199	6.7
293.21222	31.0
317.21222	100.0
318.21500	10.3
634.53778	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	613.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09303	0.2
59.01374	0.6
61.98811	0.3
71.01382	0.4
71.52433	0.3
79.95737	3.1
82.38011	0.2
88.98788	0.2
89.02466	0.3
95.87627	0.2
96.96009	100.0
97.93110	0.2
97.95927	0.3
98.95594	0.7
99.92587	1.0
104.71317	0.2
114.93399	0.7
115.92078	1.2
116.92858	4.1
122.03736	0.9
123.08226	0.3
135.44804	0.2
149.04593	0.3
149.06050	0.3
161.48398	0.2
182.70830	0.2
188.45587	0.2
191.05620	1.0
240.16812	0.2
265.23947	0.2
267.16034	1.1
368.90851	0.2
471.22195	0.3
507.82370	0.2
613.12451	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03445	1.3
59.01367	1.3
61.98837	1.3
69.03450	1.7
70.04395	1.2
70.04792	0.9
71.01378	2.2
71.05040	0.7
72.99335	0.9
85.02944	2.1
87.00858	0.5
89.02469	0.5
93.03458	1.4
95.01389	0.6
96.96006	2.3
99.00898	0.5
101.02434	1.0
101.71945	0.4
108.02174	50.9
109.02974	10.9
113.02450	1.3
119.05035	0.5
121.02907	0.8
123.00874	0.5
123.04499	0.8
125.02445	0.5
131.47287	0.4
134.03772	0.5
135.04570	1.2
137.02452	0.8
139.11261	1.7
151.04018	0.7
152.01147	92.5
153.01968	5.8
155.10773	0.7
161.02394	0.5
163.03983	3.3
177.01918	0.9
179.03534	0.8
183.10233	2.3
191.05614	1.9
207.03154	0.5
227.73203	0.5
271.07956	0.5
297.06262	0.6
315.07190	1.1
345.04272	0.4
429.10339	14.3
430.10654	0.8
447.11374	7.8
448.11990	0.5
613.21326	100.0
614.12244	0.9
614.21680	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	613.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
59.01360	2.3
61.98827	1.0
62.57267	0.6
69.19337	0.6
71.01370	1.6
71.05017	1.2
72.99322	1.7
73.02936	1.1
75.00878	0.8
79.95734	1.4
83.05009	1.1
83.58424	0.5
85.02943	2.1
85.78339	0.6
87.04509	0.7
93.03455	73.9
94.03806	1.2
96.96008	41.6
99.04475	1.2
101.02432	1.0
113.02427	2.2
115.22238	0.6
116.92850	2.5
118.02622	0.7
119.08673	1.5
119.54430	0.7
121.06598	0.6
123.08163	0.6
125.09714	9.2
135.08185	0.7
137.02438	100.0
137.09717	7.7
138.02791	1.9
145.32443	0.6
149.04573	0.7
155.10773	2.6
171.97725	0.7
181.08704	1.0
191.05573	3.7
195.06743	0.8
199.09750	27.5
200.10097	1.7
267.15903	0.7
293.62207	0.7
299.07620	1.4
411.20258	0.6
413.10846	33.5
414.11304	2.2
431.11902	38.5
432.12415	3.1
594.52570	0.6
613.21838	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.51
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69070	8.0
61.98820	14.3
63.80996	8.3
69.85581	33.7
70.14024	8.0
78.95922	47.2
98.19985	12.8
103.50555	8.8
115.92055	16.0
116.92873	13.0
152.99615	13.0
179.89207	16.0
180.89899	11.3
196.89496	11.5
236.92757	12.7
237.99557	9.0
279.23334	100.0
290.44321	10.4
331.20908	9.1
489.25488	16.6
529.68799	10.7
533.24933	12.0
609.21442	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	611.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32073	0.3
59.01381	0.4
71.01379	0.3
71.53175	0.4
71.53546	0.3
78.95884	0.3
79.95744	3.0
80.96505	0.3
83.37883	0.3
85.02919	0.4
93.03474	0.9
96.96011	100.0
97.95994	0.4
114.93414	0.8
123.04523	0.3
133.06950	0.6
135.04527	0.3
137.02417	0.8
152.01125	0.4
176.08403	2.1
191.05627	2.4
191.10789	1.2
221.08417	0.4
265.14307	1.6
413.29788	0.3
536.33862	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61967	0.4
55.01887	0.6
59.01366	0.8
61.98837	2.6
70.33248	1.5
71.01388	1.1
72.99298	2.3
73.02955	1.5
73.70787	0.5
83.05070	0.4
85.02953	1.0
88.98842	0.6
93.03458	72.8
94.03806	1.9
96.96011	3.3
101.02436	0.7
112.36707	0.4
113.02452	1.0
118.37794	0.4
135.08165	0.7
137.02449	100.0
138.02811	2.5
146.14763	0.5
152.01086	0.5
153.09219	23.7
154.09532	0.8
173.04552	0.6
187.77824	0.5
191.05585	2.6
197.08199	10.3
200.23177	0.5
267.66016	0.5
299.07877	0.5
413.10861	30.7
414.11078	1.7
431.11951	17.4
432.12268	1.7
473.16434	0.6
473.70465	0.5
611.19714	28.1
612.20142	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	611.2513
Annotation	Karajinone B
Peak:m/z	Relative Intensity
59.01382	8.0
61.98829	13.6
65.46655	1.0
68.63586	0.9
70.46763	0.9
78.35549	0.9
89.49206	1.3
96.96010	1.2
120.04552	1.9
120.08179	2.9
121.05341	2.7
122.06129	14.0
134.06119	6.5
149.06107	2.1
160.06430	6.6
166.17191	1.1
170.59221	1.1
189.09258	1.9
191.05611	3.0
211.08742	1.5
213.10324	29.8
213.12343	1.6
214.10605	2.4
215.11877	16.2
225.10402	2.2
226.11107	3.4
239.11887	19.4
240.12306	1.1
241.13483	19.0
242.13683	1.4
248.14090	3.2
251.11855	1.2
263.11981	1.2
267.11301	3.2
283.10788	2.7
285.12439	100.0
286.12756	6.9
293.12933	1.9
295.10870	1.4
296.11676	1.2
309.12369	1.2
321.55405	1.2
325.11948	6.1
369.14215	1.6
449.16058	4.7
463.17719	7.4
464.18344	4.4
465.19058	5.3
467.24384	3.6
477.19324	3.0
478.20139	3.3
479.20923	11.9
480.20514	1.3
480.73181	1.1
491.24591	7.2
493.22357	27.2
493.29440	1.5
494.23029	8.0
535.23499	61.0
536.23596	9.4
538.22235	14.8
539.22443	2.8
579.22400	21.8
580.22412	3.0
610.77802	1.9
611.24835	14.2
612.25330	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	611.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	2.2
61.98831	8.7
71.01376	1.0
71.52767	1.1
78.95903	54.2
80.91679	1.9
85.02959	0.9
93.03450	1.1
96.95997	1.5
96.96951	10.3
99.04465	0.7
105.07700	0.6
113.09727	1.2
119.05029	1.2
127.83946	0.7
135.04471	0.9
137.02405	1.2
145.09831	4.9
149.06067	1.0
150.97978	0.8
152.99579	38.3
163.03998	3.2
171.10298	1.0
172.01016	0.7
179.14467	0.9
191.05612	2.2
195.13875	13.1
196.14270	1.4
209.11780	3.1
211.13646	0.7
223.00043	1.7
225.86621	0.7
241.01169	25.7
253.14622	1.2
277.21732	12.5
293.21237	1.3
295.22763	38.9
296.23010	2.7
300.58636	0.8
300.99023	0.7
315.04898	5.8
328.01883	0.7
333.05795	0.8
359.07327	0.8
431.22012	5.9
532.81024	0.9
535.22504	0.8
611.28290	100.0
612.28650	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	609.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.4
59.01379	100.0
61.98828	3.8
67.01879	4.2
71.01376	14.9
73.02942	5.1
80.96528	8.5
83.01375	2.2
85.02959	13.3
87.00874	8.4
89.02436	2.5
93.03449	27.5
96.96000	1.9
99.04443	2.1
101.02448	6.6
111.04487	4.5
113.02426	8.1
115.08787	4.2
125.02403	3.1
129.02023	1.7
135.04494	2.9
137.09698	7.1
138.47873	1.8
149.06049	3.5
155.10765	8.0
161.28244	1.7
173.04541	18.1
176.08446	18.8
176.55650	2.1
177.08798	6.9
190.09924	1.8
191.05605	42.2
191.10698	12.4
192.11038	3.9
195.10300	2.4
199.09808	4.3
218.86322	2.0
231.09726	2.2
265.14304	8.5
266.14743	4.1
289.38934	1.8
345.30194	4.5
489.34378	55.4
490.34534	8.0
507.35306	18.1
549.36261	5.7
577.23199	4.1
609.28766	15.1
610.27930	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.9
59.01382	73.2
65.00752	1.9
69.57059	14.1
71.01376	21.2
73.02940	6.2
79.62061	2.1
79.95747	6.7
80.96519	8.2
85.02953	15.2
87.00864	3.5
89.00726	2.1
89.02445	5.9
93.03462	3.9
95.01388	3.2
95.05031	2.9
96.96026	8.3
99.00874	2.4
101.02455	11.4
113.02472	17.8
125.02510	3.0
129.01915	2.9
161.04576	2.5
176.08452	2.4
191.05644	17.1
206.72723	2.8
211.13383	3.9
272.16873	2.3
361.29626	8.5
381.94366	2.2
505.33826	100.0
506.34018	10.6
523.34833	23.6
565.36053	4.6
609.12823	5.7
609.23279	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	609.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.7
59.01379	100.0
61.98824	11.4
64.06470	1.1
67.01886	2.0
69.03454	1.9
71.01379	9.8
71.05001	2.9
71.52778	1.3
73.02940	4.0
73.61475	1.0
74.82381	0.9
79.95767	5.3
80.96516	22.3
82.36963	1.1
82.96113	9.2
82.96941	1.3
83.01369	2.2
85.02950	10.9
87.00874	4.7
89.02446	1.6
93.03451	16.0
96.96009	1.4
97.24754	1.0
101.02442	6.0
106.41801	1.1
108.02149	1.9
109.02943	1.1
111.04529	2.2
113.02444	5.4
117.92833	1.0
122.02821	1.7
122.03731	36.2
125.02438	1.8
125.06048	1.2
135.04489	2.3
143.03502	1.7
146.16487	0.9
149.06059	4.3
151.07652	2.7
152.01180	1.5
153.09148	1.5
163.07617	1.1
167.03560	1.6
173.04539	11.4
176.08371	1.2
177.09138	1.1
179.03548	1.8
179.10744	3.2
191.05600	27.6
191.10844	5.1
197.11792	3.1
201.05420	1.2
225.00601	1.4
233.06708	1.7
249.14948	1.6
265.14291	5.4
266.15109	6.7
267.15997	62.4
268.16306	4.5
299.26016	1.1
340.66782	1.3
345.30035	7.1
353.08752	1.1
411.20062	8.0
443.11823	1.2
489.34329	48.1
490.34457	6.8
507.35233	8.8
508.35098	1.6
549.36304	2.2
577.22668	1.9
578.22742	1.5
609.25500	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	609.1459
Annotation	Herbacetin 8-rutinoside
Peak:m/z	Relative Intensity
59.01373	2.1
61.98848	0.8
62.81869	0.8
65.00314	1.0
71.01365	1.3
71.04557	0.9
74.87347	0.7
76.26960	0.6
83.01411	1.0
85.02964	1.1
87.00900	0.9
89.02414	0.8
93.03461	1.1
96.96012	1.4
101.02454	1.3
102.45876	0.6
107.01400	2.4
108.02187	1.3
109.03015	1.1
111.20267	0.6
120.99686	4.7
121.02937	1.3
122.52915	0.6
133.06920	2.0
135.00891	0.9
137.02396	1.0
145.01425	1.5
148.01657	1.4
150.03258	0.7
151.00351	9.5
155.10825	0.7
163.00415	1.1
172.95700	0.7
178.99823	5.5
179.93707	0.6
181.12160	0.6
191.05614	2.6
198.73503	0.7
199.03897	0.7
201.05602	0.8
209.12025	0.8
211.03987	1.1
221.08484	0.9
225.11327	1.9
227.03444	2.5
243.02986	10.3
244.03487	0.9
254.02107	1.6
255.02982	22.9
256.03421	1.8
271.02481	55.1
272.02933	3.9
273.03989	0.8
283.02502	1.3
300.02747	86.7
301.03452	23.2
302.03885	0.9
332.16501	0.6
343.04617	0.7
405.17700	2.0
529.24237	0.8
602.82159	0.8
609.14569	100.0
610.14935	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	609.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.3
56.87542	1.3
57.03437	3.2
58.00602	3.1
59.01379	100.0
61.95704	1.1
69.03444	4.0
69.38220	10.9
71.01382	45.6
72.99305	6.9
73.02943	23.2
83.01390	10.9
85.02948	25.5
86.00084	1.9
87.00901	9.9
87.04510	3.4
89.02442	20.0
89.72124	1.3
95.01389	4.1
97.02936	2.0
99.00887	4.6
99.04494	2.1
101.02442	43.9
102.02773	1.8
103.04023	6.8
111.00872	2.2
113.02460	16.1
115.04007	5.7
119.03481	10.1
125.02465	3.9
131.03481	7.6
143.03473	12.1
145.05055	2.0
159.02977	1.6
161.04568	3.3
163.06104	12.4
171.13870	1.8
191.05656	4.6
205.07188	11.3
243.36330	1.3
247.08141	2.4
316.19632	9.9
316.69958	2.7
359.27814	2.1
361.29559	5.5
382.21655	3.4
382.72241	1.9
382.94434	1.3
389.22552	25.2
389.72617	11.5
396.23029	1.8
407.33389	2.6
408.99454	1.4
455.24670	12.6
455.74750	4.6
462.25461	1.5
471.34778	7.9
472.35107	1.8
476.25278	1.8
505.33835	58.0
506.34106	5.3
523.34875	13.0
565.36206	2.2
615.39136	3.6
633.39862	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	607.37
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39330	3.3
57.03421	3.8
59.01380	100.0
61.98818	14.8
71.01376	18.5
71.52822	3.5
73.02928	7.4
73.28272	3.6
78.08899	3.1
79.03658	3.1
79.95728	3.5
80.96507	24.0
85.02930	10.4
87.00870	4.2
89.02447	4.2
93.03441	3.2
96.96028	5.7
101.02430	9.7
113.02446	8.6
123.04532	5.0
173.04515	4.2
189.09171	3.5
191.05563	4.9
209.11882	5.1
223.84262	3.4
239.16275	3.0
247.78574	3.4
337.34940	3.8
343.28418	5.2
487.32761	53.1
488.32986	4.0
505.34018	29.9
506.33286	3.7
547.34430	5.3
607.22949	11.7
607.38495	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
60.99304	14.8
61.98832	3.2
71.52612	0.7
78.95908	3.1
87.00877	1.4
88.00393	4.0
88.04011	0.5
88.98804	100.0
89.02441	19.0
89.03006	0.5
89.99162	0.7
99.04490	0.6
101.29190	0.4
152.99580	1.0
153.84958	0.5
191.05626	1.0
216.21594	0.5
231.13834	1.4
233.11795	0.7
260.54968	0.5
279.23322	4.3
280.23886	0.7
287.29410	0.5
317.15875	0.6
433.23538	1.3
459.25009	0.6
460.26077	0.6
504.31094	2.2
505.31299	0.7
576.23041	1.4
608.25598	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.3
59.01379	73.4
61.98832	4.2
66.54916	2.0
70.13765	9.5
71.01379	31.0
73.02941	9.3
74.27459	2.0
80.96500	2.7
83.01421	2.6
85.02951	16.0
89.02454	9.5
95.01413	3.7
101.02455	13.9
113.02468	14.7
121.10209	2.8
126.11150	1.9
128.74905	2.2
131.22688	2.2
132.87643	2.0
143.03441	4.1
149.04688	2.4
161.04567	4.8
174.22818	2.1
191.05574	9.3
201.14919	7.4
359.28061	6.9
415.62509	2.4
432.40311	2.3
447.25778	2.5
503.32260	100.0
504.32108	13.7
521.33514	21.4
563.33972	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	72.7
59.61847	3.1
69.22620	31.9
69.22948	6.4
71.01389	18.4
72.15033	3.0
73.02946	6.0
85.02950	12.1
89.02441	8.1
98.19815	6.1
101.02428	9.0
110.05421	3.8
113.02439	17.7
135.76550	3.2
142.08287	2.9
143.59050	3.0
147.53812	3.4
149.06230	4.1
164.42815	3.2
183.14044	3.6
265.14343	10.2
359.27948	9.6
502.56946	3.7
503.24860	5.7
503.32251	100.0
504.32501	10.4
521.33185	31.7
563.34467	6.8
564.34180	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	607.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91877	1.9
53.47470	1.9
59.01381	100.0
61.98831	47.8
67.47845	2.1
71.01383	12.1
71.52461	3.1
73.02940	4.9
75.11678	1.9
78.95905	6.2
79.95744	4.2
80.96529	12.0
82.19184	1.8
85.02951	8.6
87.00873	3.9
89.02460	4.8
93.03455	5.5
96.96011	4.9
99.00888	3.0
99.92612	2.3
101.02446	7.9
102.98603	2.2
105.53106	2.2
109.02920	3.4
113.02461	6.1
125.02469	2.4
147.98000	2.0
168.02242	1.8
179.07143	2.3
191.05617	8.0
197.11716	2.6
209.11774	3.4
241.55173	2.0
343.28488	3.8
473.33990	2.1
487.32788	30.6
488.33023	3.1
503.26382	2.8
505.33618	6.2
534.28510	5.5
563.34393	3.6
607.22528	5.0
608.31586	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	607.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44031	4.9
59.01380	80.3
70.59988	4.2
70.84766	10.7
71.01381	31.0
73.02947	6.7
82.29028	4.7
85.02956	15.9
89.02435	7.8
101.02468	10.7
113.02460	17.4
114.62782	4.9
118.03656	4.8
125.02532	5.8
147.66968	5.1
153.98253	5.2
191.05530	5.1
316.75790	4.8
359.27954	6.7
371.33328	5.1
503.32263	100.0
504.32373	11.0
521.33026	32.5
563.34155	6.9
569.64441	4.9
585.87073	5.8
607.22241	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	607.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84617	3.3
59.01377	93.4
60.01718	3.2
61.98808	2.9
69.33533	20.9
70.82196	2.8
71.01391	17.6
71.61642	2.8
73.02939	6.4
80.96508	5.8
85.02958	14.4
89.02412	4.9
101.02441	8.9
111.00993	3.2
112.96239	2.9
113.02472	14.3
122.03638	3.9
191.05595	5.5
359.27853	11.8
427.99106	3.5
503.32272	100.0
504.32520	15.6
521.33105	28.4
522.33081	3.7
563.33820	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	607.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.5
54.53631	0.4
59.01379	53.3
60.01726	0.5
69.20092	2.6
69.20500	1.0
87.00899	0.6
89.02487	0.5
94.68645	0.4
95.55061	0.3
96.96001	0.9
98.20642	0.8
107.01384	1.1
119.01412	0.8
135.00890	5.3
135.04520	0.6
146.03740	9.4
147.00877	0.5
150.03186	0.6
161.06052	2.7
162.03209	0.9
163.00375	12.7
164.04790	5.8
175.00378	0.6
177.05556	2.5
178.02676	0.5
179.03516	1.2
179.07132	20.3
180.07437	0.7
190.99858	56.1
191.05553	1.0
192.00584	5.4
205.01385	0.6
206.02196	100.0
207.02930	14.7
228.18471	0.4
266.80588	0.4
367.08267	0.8
385.09302	13.3
386.09531	1.1
607.15247	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.6
59.24943	1.5
61.98827	4.2
63.83681	1.8
70.48770	4.9
78.95905	100.0
90.63612	1.5
96.96969	4.1
99.92558	13.9
100.93372	3.5
115.92080	36.3
116.92088	3.2
116.92854	27.9
123.10889	1.8
132.90894	1.7
134.19757	1.7
142.94452	1.5
150.98001	3.9
152.99582	25.8
164.90520	3.4
171.00635	3.5
172.95422	4.8
178.88425	15.6
179.89224	22.9
180.90028	22.7
181.90782	3.9
194.87840	2.7
196.89499	44.8
197.89482	3.0
205.90750	3.7
206.91631	2.4
208.89456	2.5
219.92279	3.0
221.90300	3.4
234.91023	3.1
235.91768	7.7
236.92589	20.2
253.92821	5.9
279.23267	4.9
433.23581	2.6
435.18271	6.0
498.14792	4.2
499.15585	10.4
516.15784	9.2
517.15027	2.1
559.17670	7.0
571.17603	13.3
589.18738	5.9
603.16724	1.9
607.19727	71.5
608.20007	12.6
639.69788	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	607.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.2
59.01376	13.4
69.03452	1.3
69.43559	6.1
70.33894	0.8
71.01008	1.6
71.01379	18.5
71.01769	1.1
72.99303	4.3
73.02953	3.9
75.00882	10.3
78.51525	0.8
80.02685	1.1
83.01365	1.5
83.05019	1.0
85.02950	19.4
87.00874	6.3
89.02456	4.1
95.01389	4.9
95.05015	5.4
96.96037	0.9
97.02959	1.2
98.19891	1.1
99.00876	8.8
103.00388	2.0
107.05016	1.5
107.08637	1.1
109.06593	1.4
113.02447	25.3
115.00373	1.1
117.01923	2.2
121.06599	1.7
129.01926	1.6
149.04514	0.9
157.01376	0.9
163.11285	14.7
175.02441	1.7
181.12358	5.4
187.51843	0.8
207.05064	2.2
207.10248	3.5
225.11288	26.2
226.11650	1.0
247.69965	1.0
249.06123	11.6
267.07187	35.0
299.14960	3.2
431.19019	1.1
457.16888	1.5
475.18161	100.0
476.18524	11.8
607.22394	65.9
608.22571	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	607.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35904	1.0
50.70953	0.8
52.70599	0.9
52.98159	0.8
55.01871	1.0
57.03439	1.2
59.01375	7.6
61.98830	13.2
63.03038	0.9
69.03464	1.1
69.39795	6.5
71.01382	4.5
73.02950	3.1
75.57090	1.1
79.05544	1.8
80.96516	7.4
83.05029	1.6
85.02951	3.0
97.02958	4.4
98.19941	2.0
101.02427	2.1
108.02171	2.2
109.02927	1.6
113.02470	2.8
121.06593	1.5
122.02914	1.6
122.03739	21.3
122.27645	1.2
123.04552	2.9
125.02478	1.8
134.03734	4.4
135.04485	3.6
135.08159	6.5
136.05270	2.7
137.02412	1.1
137.06107	1.1
148.05309	3.8
149.06078	16.9
150.06833	1.6
151.07677	5.1
153.09227	23.9
155.13333	1.0
159.04507	2.4
159.08124	1.0
161.04768	1.3
161.06047	6.7
161.09793	1.6
162.06842	4.1
163.07617	3.9
165.05591	1.3
165.09204	1.0
174.06940	1.1
175.07625	3.0
176.08429	85.0
177.09126	7.8
179.07150	3.4
187.07646	2.1
189.09169	3.3
190.09988	11.3
191.10779	88.0
192.11081	3.8
193.08691	1.8
195.10255	1.0
197.08160	2.0
203.07153	2.9
205.08694	8.6
207.10278	1.3
213.09068	1.4
214.09912	1.5
217.12350	1.5
219.10266	1.4
221.08136	3.0
229.12309	6.7
247.13336	2.8
263.09225	2.3
264.13568	3.4
265.14438	100.0
266.14822	6.7
369.41409	1.0
402.85425	1.0
409.18475	1.4
503.32162	3.0
607.18579	1.1
607.27570	27.7
608.28149	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	605.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	22.1
61.98825	15.1
69.85842	12.7
69.86250	9.8
89.02427	5.5
96.96026	7.8
100.10017	4.2
123.08271	4.6
149.04437	6.2
165.12862	27.4
183.13901	95.0
227.12880	100.0
294.12866	6.6
485.31003	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	605.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	38.6
61.98830	84.5
67.01831	3.8
69.73129	16.6
71.01353	8.9
81.03465	4.7
85.02934	8.6
89.02439	6.1
93.03471	4.8
96.95992	9.8
98.19903	7.9
101.02406	13.8
104.98550	4.3
112.73866	3.8
113.02408	5.5
132.32060	4.3
161.04620	6.7
165.12848	5.4
165.97855	4.0
170.36658	3.9
171.10211	5.4
173.83005	4.3
174.37621	4.4
179.67700	3.9
191.05594	37.4
197.11797	6.3
211.13408	9.8
227.13037	4.0
229.05328	3.9
253.09308	35.5
291.19623	42.3
309.20712	100.0
326.64899	4.0
539.50995	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	606.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71889	0.3
56.84010	0.3
59.01355	0.7
60.99306	15.3
61.98830	5.1
71.00584	0.5
71.00922	0.6
78.95909	2.9
82.01910	0.3
87.00879	1.3
88.00407	2.9
88.04037	0.6
88.71201	0.4
88.98806	100.0
89.02446	14.3
89.99145	0.6
99.69849	0.3
104.59689	0.4
108.33675	0.4
139.40732	0.4
152.99574	1.4
175.36337	0.4
277.21866	2.6
304.33643	0.4
311.82697	0.4
337.85223	0.4
400.86667	0.4
431.22217	1.1
502.29355	1.2
503.29449	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
60.99306	15.1
61.98825	5.9
64.40102	0.5
71.52400	0.6
77.89506	0.5
78.95901	7.6
82.58065	0.6
88.00386	2.5
88.98804	100.0
89.02447	9.2
89.99172	0.5
96.96964	1.5
134.04715	0.9
140.37839	0.5
152.99576	1.0
191.05722	0.8
226.14885	0.5
274.68033	0.7
277.21600	3.3
346.05411	3.2
431.21899	0.8
461.19693	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
60.31518	0.4
65.88264	0.4
69.99460	0.8
69.99847	0.9
71.42211	0.4
72.89722	0.4
75.76321	0.4
80.34929	0.4
82.26194	0.4
146.41829	0.4
188.54776	0.4
359.22418	0.5
360.02203	0.4
399.16245	0.4
401.17941	0.4
415.15582	0.8
416.16626	0.7
429.17090	0.8
430.18106	0.9
443.18839	0.7
444.19705	0.5
457.20734	2.2
459.17834	2.2
461.23697	0.8
470.21463	0.5
471.18356	1.6
472.18777	0.6
473.19714	5.2
474.19913	0.8
475.21231	0.4
485.18872	2.8
486.20639	4.4
487.21082	1.0
496.19052	1.0
499.17477	2.2
500.17908	0.7
501.23648	3.2
511.21277	2.2
513.19244	2.5
514.20026	8.8
515.20044	1.3
517.18652	0.9
518.19525	1.8
529.22406	100.0
530.22717	13.9
532.21179	1.8
533.21759	2.2
546.22028	0.5
561.25049	1.2
573.21558	1.0
605.23877	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47409	1.3
59.01384	12.8
61.98821	6.6
65.99784	1.4
69.35329	1.4
69.54720	1.5
71.01374	4.8
73.02946	12.1
77.20786	1.3
79.95779	1.6
85.02943	2.5
89.02444	2.8
96.96006	2.7
101.02414	4.0
113.02447	3.3
116.70610	1.6
117.47187	1.4
125.02440	3.5
131.03471	1.7
149.04514	5.9
163.11273	10.6
181.12329	100.0
182.12636	2.8
187.02460	3.9
191.05527	3.3
196.64063	1.4
225.11299	83.5
226.02951	1.7
226.11600	5.3
231.39488	1.5
243.00777	1.4
267.12292	6.3
269.61575	1.6
273.04416	2.9
357.15558	20.3
358.16190	2.2
396.52884	1.5
399.17059	1.6
423.34018	1.5
429.17462	9.2
561.21960	21.2
605.30859	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	605.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	72.1
71.01375	37.0
71.52372	13.5
73.02951	13.8
75.00858	16.5
85.02943	31.8
87.00840	14.6
89.02428	16.6
90.98589	7.7
96.96008	100.0
99.00900	7.5
101.02467	15.8
101.75147	7.4
106.33521	7.2
113.02444	43.5
121.02887	7.2
125.02509	15.4
131.03387	7.3
136.01604	37.0
150.03250	9.1
151.03987	34.4
163.04314	7.6
173.04405	7.9
191.05606	21.8
198.31989	7.2
249.06239	14.3
267.07199	35.8
289.59457	7.0
298.08530	8.0
309.07724	21.2
339.12344	22.2
357.13263	20.0
375.48706	7.7
465.53235	7.9
469.89453	7.4
519.20703	64.5
520.21289	8.7
605.13397	23.0
605.23969	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79090	1.7
59.01374	2.1
60.99308	9.3
61.98847	2.3
69.23672	18.5
71.54620	2.1
73.50599	2.2
77.86163	2.2
78.95908	4.2
87.00877	6.0
87.94130	2.1
88.00407	11.8
88.04044	3.6
88.98804	59.8
89.02443	100.0
104.58624	1.7
145.43549	2.5
152.99580	3.6
171.10301	2.9
299.79144	2.0
327.70441	2.1
603.21228	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	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41359	2.1
59.01382	3.5
60.99301	12.3
61.98826	10.3
70.53590	4.6
71.01355	1.7
72.89909	2.5
78.95896	21.8
87.00883	6.7
88.00399	14.1
88.98803	72.4
89.02443	100.0
96.96015	18.3
105.38950	2.3
152.11525	1.8
152.99533	9.9
170.03952	2.2
184.94182	2.1
191.36510	2.0
218.09171	2.2
277.21698	18.7
302.46719	2.2
454.87619	2.0
500.27792	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	605.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61813	0.7
57.95458	0.7
58.89203	0.8
60.00868	0.7
61.98822	1.4
63.06596	0.9
69.19231	0.8
69.53114	6.0
78.95901	100.0
81.97380	0.9
82.74722	0.8
96.95982	1.4
96.96956	5.7
98.95551	1.2
99.92574	15.5
100.93305	1.9
115.92070	35.3
116.92123	1.3
116.92852	25.8
124.41380	0.9
150.98032	4.9
152.98389	1.6
152.99588	27.2
163.89687	1.5
164.90439	1.5
171.00626	2.3
172.95386	4.2
178.88432	16.2
178.91876	1.2
179.89215	25.4
180.90009	24.3
181.90729	2.7
194.87827	4.0
196.89476	37.3
197.89478	1.2
205.90739	3.9
206.91534	4.0
208.89424	1.8
218.91689	1.4
219.92256	2.2
220.93085	1.1
221.90303	1.3
234.91089	1.8
235.91779	7.4
236.92567	15.9
237.92961	1.2
252.92084	2.4
253.92836	5.0
277.21725	6.3
278.93582	2.2
310.96402	1.2
357.11026	1.0
431.21899	2.0
433.16718	3.1
455.09552	1.1
495.12323	0.9
496.13245	4.4
497.14084	9.9
498.14130	1.1
505.25311	1.1
514.14093	5.8
527.11627	1.2
557.15845	6.3
569.16162	10.5
583.13873	1.2
587.17297	7.5
601.14990	3.2
605.18152	50.3
606.18445	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70535	0.1
61.98830	0.5
71.00164	0.1
71.51247	0.2
119.05022	0.2
135.04532	0.3
137.02417	1.4
138.03214	0.2
145.02925	0.2
163.04019	2.8
164.04788	100.0
165.05127	3.4
179.07130	86.7
180.07460	3.3
180.09024	0.2
221.08183	0.1
277.21689	0.7
323.11377	0.2
601.33746	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96555	0.6
55.01880	0.6
57.03428	1.2
58.00615	0.5
59.01381	50.5
61.98832	3.5
67.18803	0.5
70.47614	1.3
70.47945	0.8
71.01009	1.1
71.01382	16.8
72.99306	1.4
73.02949	2.7
80.50941	0.5
83.01376	1.6
85.02945	4.9
87.00865	1.2
89.02439	10.8
94.07984	0.5
94.45717	0.5
95.01380	1.2
96.95992	0.7
99.00864	1.9
101.02441	11.0
113.02462	5.6
119.03510	5.3
149.04543	0.6
154.85394	0.5
161.04482	0.9
165.12933	1.3
179.05577	1.1
183.13860	6.8
185.11794	3.0
191.05600	1.2
208.13361	1.2
212.27391	0.5
214.96309	0.6
220.37006	0.5
226.18118	1.2
228.16020	6.7
237.22200	1.7
239.37311	0.6
252.76863	0.6
311.69513	0.6
317.21292	1.5
390.21323	3.3
450.23227	1.4
504.28241	0.7
581.01343	0.6
584.34308	4.6
602.35431	100.0
603.35950	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	601.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51154	0.4
59.01372	0.7
61.98828	32.5
69.48635	2.5
71.01424	0.5
74.17199	0.3
78.95867	0.4
79.95734	35.1
80.95674	0.4
80.96499	1.2
93.03416	0.4
95.94616	0.4
95.95233	11.5
96.96006	100.0
101.02430	0.4
109.02960	0.4
110.97571	3.9
136.01698	0.8
141.95746	1.5
149.99916	1.7
151.03978	1.2
160.05237	0.4
165.05566	1.0
176.04784	0.5
191.07097	0.9
195.06532	0.5
225.07608	0.4
257.01080	0.4
259.02621	0.7
271.02835	0.6
406.57065	0.4
409.09497	2.1
421.08383	0.6
423.07504	2.9
424.08224	1.5
433.87424	0.4
437.09018	2.9
438.09760	1.6
439.10553	8.7
440.11148	0.9
601.15900	84.8
602.06647	0.6
602.16217	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.2
61.98824	10.3
69.48090	3.6
69.48513	4.2
79.95733	4.1
89.35703	1.0
89.71213	1.1
93.03437	2.1
95.95226	1.5
96.96012	11.3
106.84680	1.0
110.32379	1.0
121.02956	1.4
122.03705	4.8
129.47690	1.1
136.01689	1.2
137.02446	5.6
149.02438	16.5
150.03218	41.3
151.03770	1.4
164.04782	4.1
165.00542	1.5
165.01918	23.0
165.05559	46.5
166.02318	1.0
166.61331	1.1
180.04283	23.0
181.04741	1.4
195.06615	100.0
196.06926	4.7
200.45557	1.0
243.08731	9.5
301.07184	2.6
302.59756	1.1
316.09662	1.9
331.11694	7.8
370.04736	1.1
386.65869	1.1
391.13956	20.7
392.14261	2.3
421.15167	1.3
439.16074	35.9
440.16333	3.3
601.16058	10.2
602.16711	1.4
616.34595	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	600.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65316	11.0
61.98831	100.0
62.00234	10.2
69.97212	22.3
90.52665	12.9
91.09364	9.1
92.68047	12.2
171.10437	10.1
171.20621	10.0
222.79689	9.7
241.12093	9.6
248.66940	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	601.0273
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19688	0.9
59.01377	100.0
61.98821	3.8
71.51060	1.4
103.26953	1.0
115.02507	7.7
117.00447	7.9
132.98196	1.8
132.99098	1.1
137.41705	1.0
141.00427	1.2
157.03540	2.8
158.60437	1.0
159.01480	76.1
160.01617	4.1
160.97609	0.9
170.39441	1.0
170.97852	1.3
174.99217	16.6
176.98102	18.9
193.84656	1.1
201.02534	28.8
202.02663	1.4
217.00287	50.4
218.00571	2.1
259.01614	3.3
263.05777	1.0
263.08804	1.2
274.99393	3.5
301.02649	57.8
302.02820	7.1
314.98746	1.5
317.00406	40.9
318.00626	2.0
332.98483	1.8
357.60464	1.2
359.01480	18.0
360.01926	1.5
375.11475	1.0
417.00528	1.1
459.01492	11.9
460.01611	2.6
498.99564	1.2
541.00543	35.7
542.00842	7.4
563.34119	1.0
577.82471	1.0
598.36682	1.0
624.00421	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18659	0.4
59.01382	3.5
61.98829	14.1
67.97688	0.4
71.52061	0.8
79.95737	49.4
80.96537	0.8
85.02961	0.5
87.00891	0.9
88.55880	0.5
89.02473	0.5
93.03461	0.7
95.95233	14.0
96.96014	89.3
108.02182	0.5
109.02951	0.8
110.45120	0.4
110.97585	8.2
111.00867	1.4
124.08906	0.7
136.01683	2.2
137.02454	2.6
141.95763	1.7
146.03671	1.1
149.02426	1.3
149.99953	2.8
150.03178	2.0
151.04016	3.7
160.05350	0.7
164.04868	0.8
165.05559	2.4
166.05882	0.6
175.07568	0.6
177.05577	0.9
179.07159	0.7
191.05577	1.4
195.06590	2.2
196.06908	1.0
200.54283	0.5
259.02875	0.9
323.43619	0.5
331.14456	0.5
343.11856	1.4
377.16141	0.7
379.16702	0.9
401.15698	0.7
409.09344	2.2
423.07632	2.1
424.08289	2.0
437.09106	3.9
438.09833	2.2
439.10629	12.2
440.11145	0.7
601.15955	100.0
602.16217	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	599.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76611	0.6
59.01365	1.9
59.73630	0.7
69.23840	4.8
69.24258	1.9
70.41905	0.6
78.57819	0.6
81.95444	0.8
85.45812	0.6
93.03484	1.1
96.96027	3.3
99.92577	4.1
115.92053	4.2
116.47985	0.7
116.92873	1.2
143.95120	0.7
144.92114	0.7
148.68935	0.7
173.04590	1.0
191.05620	4.0
193.53278	0.7
247.67480	0.7
275.19919	1.2
279.12338	0.8
280.99911	0.8
291.19702	2.8
321.20706	8.1
339.32294	0.7
351.21738	100.0
352.22076	8.6
519.07819	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	600.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
61.98830	100.0
69.58403	1.7
71.12999	0.3
79.95757	0.4
89.25237	0.3
96.96015	6.6
98.95610	0.3
149.02457	0.9
150.03156	0.8
165.05582	0.8
166.05911	0.3
191.05617	0.6
195.06674	0.8
196.06992	0.4
211.07722	0.3
255.72171	0.3
312.09976	0.4
327.12479	0.5
328.12927	0.9
329.13336	0.3
329.89664	0.3
330.13510	0.6
378.15753	0.5
400.43304	0.3
400.48813	0.3
600.14508	2.0
601.15924	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
66.97197	0.3
70.10467	0.9
79.95724	1.9
95.95245	0.9
96.96009	8.1
96.96609	0.6
128.26207	0.3
170.30405	0.4
401.15295	0.4
439.10577	0.4
590.08429	0.3
592.00482	0.3
601.15967	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	599.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80823	0.5
57.89224	0.6
58.80346	0.6
59.01373	0.7
61.98808	1.2
69.51004	1.2
69.51388	4.1
73.68271	0.5
78.99888	0.6
79.95732	4.4
82.95425	1.1
85.55241	0.6
92.19698	0.6
96.15905	0.6
96.96010	100.0
99.26862	0.6
109.46093	0.6
116.51566	0.6
121.02955	0.7
191.05574	2.0
236.99513	0.7
296.06781	1.3
300.37311	0.6
311.09210	1.5
326.11642	1.5
437.08810	2.2
599.14276	42.2
600.14752	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	599.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17900	1.3
59.01380	61.7
61.98825	2.7
69.45721	1.2
96.95983	8.6
98.98505	1.2
103.43405	1.3
109.35834	1.2
114.48291	1.2
121.02941	4.6
146.86115	1.2
149.02434	48.6
150.03235	16.9
164.04787	13.7
165.05569	23.6
167.07117	2.7
181.08716	1.6
195.06586	18.4
201.11234	6.9
314.11560	24.4
329.13922	100.0
330.14258	7.9
344.10294	1.4
371.06927	1.5
377.16000	46.3
378.16333	3.2
396.61752	1.3
415.15070	1.5
599.15125	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	597.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71556	0.3
59.01379	1.6
61.98833	2.2
69.61972	2.2
71.01385	0.4
75.00869	2.8
81.03452	13.1
83.05025	38.7
84.05355	0.4
85.64420	0.3
89.02432	0.5
93.03458	3.3
94.03782	0.4
95.44591	0.3
96.96011	5.1
99.92561	0.4
100.07680	4.9
101.02470	0.5
108.04529	0.4
109.88644	0.3
110.03743	0.3
110.66935	0.3
113.02419	0.4
116.92841	1.6
126.05590	1.3
127.04004	0.6
137.02444	5.2
157.13564	0.3
182.15558	0.4
183.10262	0.5
191.05586	1.4
199.13390	1.4
199.16290	0.4
199.18169	6.5
224.17723	0.8
225.16086	8.9
243.17130	19.0
244.17427	1.2
269.15009	1.3
309.21844	0.9
353.20749	6.6
354.21048	0.4
367.27344	0.3
397.13364	0.5
413.10742	1.0
425.34869	0.5
431.11667	1.7
451.32739	1.8
469.33951	12.9
470.34372	1.8
535.39685	0.4
579.37360	3.2
580.38000	0.6
597.38660	100.0
598.39008	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	599.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33335	0.2
52.29389	0.2
59.01376	0.4
61.37943	0.2
61.98824	0.6
62.48724	0.2
66.03785	0.2
70.23621	0.7
79.95731	5.9
88.12665	0.2
96.96008	100.0
97.95949	0.3
101.45735	0.2
110.97573	0.5
130.79790	0.2
136.01665	0.3
151.04033	1.2
152.01163	0.3
165.30486	0.2
190.06517	0.2
193.46664	0.2
230.99623	0.2
259.01266	0.9
261.27496	0.2
267.10193	0.3
268.07248	0.2
269.44171	0.2
283.09830	0.3
293.08157	0.3
296.06958	1.2
297.07443	0.3
311.09247	2.3
312.09534	0.4
326.11560	2.3
437.09100	2.1
583.07892	0.2
599.14325	42.7
600.14685	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	597.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	47.9
59.48980	0.9
69.35403	9.1
70.85306	1.1
74.81322	1.2
75.72002	1.1
78.55655	1.1
79.33784	1.1
83.31318	1.0
93.03431	1.8
98.20676	2.5
104.93275	1.4
121.02943	3.7
122.03726	5.2
133.02916	1.2
146.03772	6.9
149.02429	15.6
150.03221	54.7
161.06065	2.5
164.04776	10.1
165.05553	72.4
166.05878	3.3
179.07129	24.9
180.04233	3.6
191.05588	1.4
195.06612	100.0
196.06952	3.1
226.05769	1.3
245.41852	1.2
271.02548	1.7
305.75607	1.1
312.10025	2.8
326.07764	1.2
327.12347	16.3
331.04358	2.6
375.14465	12.4
376.14288	1.3
421.24289	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	6.3
61.98826	8.6
69.60270	4.3
69.60705	6.0
71.01380	2.7
71.08102	1.3
73.02928	2.8
75.59434	1.6
80.68382	1.3
81.29485	1.3
82.70304	1.4
93.03453	6.2
93.19990	1.6
96.25278	1.6
96.95986	1.6
98.20542	2.7
99.04517	2.0
111.13795	1.5
149.06102	1.6
173.04489	5.2
173.32066	1.4
191.05624	11.1
221.58804	1.7
269.04742	1.6
305.21286	7.3
319.22632	1.9
333.20770	15.2
349.20212	100.0
350.16873	1.3
350.20538	9.0
363.21622	2.9
391.21249	18.4
449.14313	4.4
537.27740	1.8
553.26459	3.2
579.21509	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75737	0.2
59.01368	1.1
59.81476	0.2
61.98820	0.8
63.92760	0.2
65.30499	0.2
69.18827	2.1
71.65601	0.2
79.95741	4.8
82.39584	0.2
86.09165	0.2
93.03453	0.2
96.96011	100.0
110.97554	0.3
136.01595	0.3
137.02393	0.3
146.03696	0.2
149.06035	0.3
151.04044	1.3
175.03934	0.3
179.07106	0.7
188.04765	0.4
189.05489	0.2
191.05676	1.2
195.06566	0.5
219.06566	0.2
230.99840	0.3
231.06575	0.4
259.01212	0.3
265.05081	0.3
266.05807	0.3
281.08252	0.5
294.05322	1.2
309.07648	2.1
324.10019	1.5
325.10840	0.2
434.06683	0.3
435.07404	1.7
498.59900	0.3
597.12787	34.7
598.13025	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	597.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	46.5
69.69970	2.9
69.70386	3.0
71.01389	1.2
93.03476	1.6
95.07914	1.1
121.02969	4.9
122.03706	3.3
131.26151	1.0
146.03711	8.4
149.02431	38.7
150.03229	33.5
160.09534	1.4
161.06070	1.6
164.04803	16.1
165.05568	45.7
166.05898	1.9
179.07117	16.2
180.04318	1.9
195.06609	46.9
196.06950	1.7
271.73096	1.1
280.07471	1.3
283.09753	1.1
297.07645	1.6
312.10043	21.5
313.10321	2.2
327.12363	100.0
328.12601	7.5
331.04617	3.3
354.33710	1.0
375.14465	28.9
376.14758	2.3
408.43997	1.2
423.90146	1.2
492.73901	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19368	0.4
54.26824	0.5
55.83250	0.5
59.01379	24.9
59.90737	0.4
61.98808	0.4
63.23227	0.5
67.11051	0.6
70.59705	0.4
88.96215	0.5
93.03465	0.9
96.03361	0.5
96.96011	1.9
98.17532	0.4
100.46926	0.5
106.04244	0.5
108.02183	0.5
114.90630	0.5
121.02925	2.3
122.03754	0.7
134.03751	2.2
149.02431	1.7
150.03239	6.1
151.03780	0.5
161.02480	1.0
162.03221	73.1
163.03546	2.7
165.05582	7.7
169.68958	0.5
177.05565	100.0
178.05920	4.4
191.05598	2.4
195.06595	7.2
230.97670	0.5
261.05536	0.8
262.06339	0.7
278.05856	0.6
325.10773	6.0
326.11163	0.6
355.12067	0.9
356.12109	0.5
373.12973	2.0
412.49185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30292	1.1
55.01883	1.8
57.03452	1.8
59.01381	48.4
60.01100	1.5
63.26823	1.1
69.03497	1.2
70.41739	1.2
71.01371	22.1
71.52661	2.0
72.22211	1.6
72.99295	3.3
73.02951	6.8
73.90493	1.4
83.01364	3.5
85.02956	12.1
89.02439	5.6
90.93482	1.4
93.03438	3.3
95.01401	3.2
99.00874	2.2
101.02448	17.2
113.02481	10.1
143.03487	2.0
149.50899	1.5
156.49503	1.4
157.74872	1.3
161.04523	4.9
173.04575	2.5
179.07147	2.8
191.05605	12.9
218.88718	1.5
303.18051	6.0
329.15918	2.1
347.17133	8.1
389.18170	100.0
390.18613	7.9
458.44281	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	595.2886
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
61.20110	0.5
64.73070	0.5
78.95901	68.3
81.88730	0.5
96.96960	12.9
106.30382	0.5
150.98026	1.0
152.99577	54.0
153.99976	0.8
182.27846	0.5
223.00110	1.8
241.01160	30.2
241.32794	0.5
242.01611	0.7
243.72418	0.6
248.15276	0.5
275.45609	0.5
279.23267	59.6
280.23611	5.0
294.93845	0.5
304.46136	0.6
315.04895	9.5
389.02042	0.5
415.22491	6.7
595.28857	100.0
596.29260	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	594.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	22.1
61.98829	16.6
65.21316	0.6
69.48246	4.1
71.01334	0.5
78.95903	30.5
80.96501	0.7
88.98801	0.6
93.03444	1.2
96.95986	0.8
101.06014	0.5
113.09716	1.8
122.98530	0.7
152.99574	4.6
168.04289	4.6
173.04500	0.9
177.12877	0.9
179.14375	1.4
181.12352	0.8
191.05620	1.0
195.13899	19.6
199.59526	0.6
209.02721	0.6
224.06937	10.0
242.08060	2.7
277.21713	16.1
278.22101	1.2
295.22775	66.2
296.23102	4.5
421.49423	0.7
449.22922	1.7
520.30420	100.0
521.30890	9.9
577.21936	0.6
594.26355	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18634	0.6
50.78026	0.6
51.07906	0.6
59.01374	2.9
59.62680	0.7
61.98830	1.8
67.01897	2.0
69.03451	0.9
70.73324	0.9
70.73643	1.3
71.01378	2.9
72.99309	1.6
80.96535	0.6
83.01385	1.0
85.02958	3.5
85.28069	0.6
87.00877	2.6
90.50715	0.7
93.03456	12.1
95.01384	0.9
99.00893	1.9
101.02444	1.1
108.02173	56.2
109.02998	9.3
110.03283	0.7
111.04521	1.0
113.02486	1.5
119.22872	0.6
126.39493	0.7
135.04501	1.6
151.04005	0.9
152.01147	100.0
153.01852	4.4
163.04018	3.6
165.09210	10.3
169.01442	0.7
173.04538	7.6
173.07433	0.6
173.09222	0.6
177.01945	0.9
179.03474	0.9
187.10838	1.3
191.05588	16.3
207.03015	0.8
209.06081	0.7
214.06265	1.0
217.11880	2.3
229.08824	0.9
231.50851	0.6
297.06296	1.3
315.07068	1.3
347.18747	0.8
371.14847	0.9
389.15704	0.7
396.38364	0.7
429.10370	19.5
430.10718	1.5
447.11404	6.7
448.11603	0.7
545.19849	1.5
563.21075	1.2
577.22864	4.3
595.20276	95.9
596.20654	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	593.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16992	3.5
59.01381	100.0
61.98841	20.2
70.12832	6.0
70.13222	8.5
71.01376	14.5
79.95723	8.4
80.96518	70.9
84.35052	3.2
85.02942	12.1
90.57626	3.8
93.03429	8.5
97.43692	3.9
98.20038	5.8
101.02425	6.5
116.92812	4.4
125.02441	4.2
129.34006	3.5
135.04500	3.4
143.03537	3.5
161.04509	4.3
161.98778	3.5
168.18428	3.7
173.04526	6.1
176.08366	6.2
191.05663	20.9
218.69859	3.4
223.07541	3.2
238.97443	3.7
241.92615	3.2
274.38022	4.1
277.10776	4.0
297.11560	10.6
310.32910	3.7
345.30072	9.0
381.16821	5.8
403.17447	4.3
489.34280	38.2
490.34833	5.5
496.24561	12.2
507.34885	12.8
511.26855	11.2
593.24243	48.7
594.23822	8.0
617.25403	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	593.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.8
57.21749	2.1
59.01378	100.0
70.63635	1.8
71.01391	16.2
73.02934	4.2
73.07407	2.0
75.80078	2.3
78.95906	4.5
83.01359	3.4
85.02939	7.0
89.02435	5.0
93.03448	2.3
95.01369	3.7
101.02438	4.4
113.02451	6.5
128.41377	1.8
161.04578	2.7
173.04474	3.8
191.05559	6.1
201.15559	2.2
225.41545	2.1
233.01259	2.1
345.29984	7.9
404.48602	2.4
439.51495	2.1
482.70779	2.5
489.34344	60.4
490.34360	5.0
507.35263	23.8
508.35452	4.5
549.35779	3.7
593.23065	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	593.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.92586	2.3
61.98829	21.5
65.89528	2.2
69.24448	11.3
69.24878	10.8
71.01393	11.2
73.02937	3.2
78.95892	5.2
79.95744	5.4
80.96516	7.3
85.02946	10.1
93.03454	6.4
98.20610	5.0
99.04552	2.8
101.02451	6.9
105.45616	2.2
113.02471	6.3
140.04024	2.3
146.95868	2.3
161.04573	2.7
173.04552	7.1
183.10234	14.6
191.05608	9.9
285.81198	2.7
299.25864	3.9
345.30164	5.5
489.34357	44.7
490.34421	5.0
497.42984	2.5
507.35349	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.6
60.52712	0.6
61.98828	58.9
62.98529	0.6
63.96233	1.2
69.72250	2.9
71.01381	5.0
73.02942	1.5
78.95892	0.5
78.98586	4.7
79.95734	31.0
80.96513	52.7
83.01395	0.5
85.02940	2.5
86.58089	0.6
87.00876	2.9
94.98086	11.3
96.96007	2.1
97.02934	1.4
99.00895	0.7
101.02431	2.2
106.98079	2.1
116.92808	0.5
119.03629	0.5
122.97581	3.2
125.02447	2.0
127.03988	0.6
134.97571	2.7
136.99097	1.3
148.99117	4.7
152.98643	3.5
161.04562	1.2
164.98625	9.4
169.91367	0.6
206.99696	2.3
225.00737	12.2
226.17088	0.5
241.00293	2.1
270.94598	0.5
293.21341	0.6
295.22565	0.8
299.04184	3.0
315.04108	1.0
326.94955	0.7
341.05518	0.7
371.06525	2.4
385.07996	1.5
399.09680	1.5
413.11203	1.4
441.14865	0.5
455.15942	3.4
495.18985	2.5
523.18561	0.8
524.19226	1.0
593.26337	100.0
594.26666	10.7
605.24023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.1
60.14746	0.8
71.00029	1.7
71.00368	1.1
72.29591	0.8
78.95903	80.2
86.27042	0.8
96.96955	14.9
101.22519	0.8
129.37256	0.8
132.80363	1.0
149.15923	0.8
152.99580	61.4
223.00157	2.0
241.01175	37.9
277.21704	55.0
278.21997	3.4
310.97845	0.8
312.01062	0.9
315.04849	10.5
407.02612	0.8
413.21054	8.0
414.21194	1.0
556.59485	0.9
593.27301	100.0
594.27606	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	593.333
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	1.8
64.29913	1.6
71.51897	1.8
77.49620	1.6
87.00871	5.0
121.02927	3.3
129.00729	1.9
139.61453	1.8
171.10303	1.8
189.53139	1.4
209.04591	2.0
215.12903	2.4
269.90488	1.7
272.33206	1.6
273.87173	1.7
277.21744	6.3
299.20178	2.1
356.23160	1.9
399.25363	100.0
400.25766	8.6
593.36835	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	593.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94663	1.2
54.48636	1.1
55.01889	1.3
57.80225	1.2
59.01384	43.0
60.99301	4.1
69.03455	2.0
69.22436	9.4
71.01387	22.2
71.01790	1.9
71.16405	1.0
72.99347	1.1
73.02946	15.1
74.17443	1.0
80.15917	1.1
80.96532	1.9
83.01388	3.3
85.02934	7.3
87.00887	3.4
88.98804	24.1
89.02454	9.5
93.03452	1.4
95.01394	1.6
96.96048	1.5
101.02448	14.7
113.02454	7.7
119.03486	3.2
125.98306	1.1
173.04495	2.2
183.13940	1.3
191.05577	4.5
195.13918	13.9
200.88673	1.1
213.14922	6.4
215.45676	1.2
357.19363	6.6
375.20239	23.4
417.21298	100.0
418.21616	9.3
444.25732	1.3
507.24445	2.6
549.25525	25.7
550.25702	4.0
593.25043	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2632
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
59.01374	1.8
61.98832	11.9
63.96228	0.8
69.03445	0.8
69.72380	3.3
71.01382	6.3
73.02943	1.5
78.98591	5.1
79.07868	0.5
79.95736	15.2
80.96518	57.7
85.02954	2.3
87.00892	1.5
92.37673	0.5
94.98091	14.4
96.96033	0.9
97.02952	0.7
98.20062	0.8
101.02441	2.7
106.98084	2.8
116.07188	1.2
122.97607	3.0
125.02434	2.2
127.03996	0.7
134.97580	4.6
136.99150	1.3
144.31575	0.5
148.99144	5.4
152.98633	5.7
164.98621	9.3
171.14952	0.7
206.99693	2.9
214.03336	0.7
215.13988	4.5
218.71628	0.5
225.00743	14.3
229.15486	0.7
299.04611	3.0
493.25803	0.9
593.26373	100.0
594.26703	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	592.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
61.00629	0.2
61.98829	100.0
69.22243	1.5
98.19888	0.4
141.07343	0.2
385.52087	0.2
518.29358	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84337	1.3
56.82333	1.4
57.47419	1.4
59.01377	41.2
60.01701	1.6
61.98829	83.4
68.03845	1.3
71.01376	3.3
78.95908	33.9
80.96513	5.8
83.05039	1.8
141.01683	3.5
152.99590	5.8
168.04295	5.8
171.84343	1.3
191.05602	3.8
224.06931	9.6
231.21103	1.8
235.17001	22.5
242.08017	3.1
275.20145	36.4
276.20526	1.6
293.21231	34.5
294.21463	2.4
438.56287	1.9
518.28851	100.0
519.29187	8.1
550.30658	1.4
593.25934	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	593.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06988	0.2
59.01385	0.3
61.98821	1.1
69.42673	1.7
77.03992	0.5
78.71055	0.2
80.96515	0.6
87.55846	0.2
91.01861	0.3
93.03472	0.5
120.02168	0.9
121.02956	100.0
122.03302	2.1
125.76958	0.2
136.01645	0.3
141.61037	0.2
149.46201	0.3
165.01926	5.3
180.05815	0.6
181.05069	0.5
181.06561	3.0
195.18997	0.2
197.06053	2.1
200.04698	0.2
207.04527	0.9
209.04544	60.8
210.04878	2.3
223.04138	0.3
225.05544	1.9
251.07074	0.3
257.09808	0.4
285.09106	0.2
313.07159	2.1
337.69507	0.3
357.06183	0.9
383.07883	1.5
389.10107	0.3
401.08914	0.2
417.09949	1.0
505.11395	2.9
506.11853	0.4
549.04028	0.2
549.10327	6.9
550.10822	0.8
593.12952	10.8
593.26178	1.2
594.13373	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92953	4.1
59.01111	7.0
59.01383	100.0
61.94741	4.0
61.98835	6.1
69.45489	4.9
69.67438	23.8
71.01376	20.3
73.02953	5.4
77.10959	4.5
80.96547	9.8
83.01369	4.8
84.43667	4.6
85.02960	15.7
93.49299	4.5
101.02464	9.8
113.02436	10.4
161.04588	4.3
191.05472	4.6
273.29102	4.1
487.32828	62.0
505.33728	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	592.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79111	0.3
58.92974	0.3
59.01370	0.4
61.98829	100.0
69.88676	1.5
70.45135	0.3
70.66461	0.3
79.95730	0.6
80.51903	0.3
80.96516	2.7
94.98117	0.4
98.19950	0.4
101.06110	0.6
121.02956	3.7
148.99181	0.3
164.98605	0.3
165.01924	2.5
225.00583	0.4
225.73337	0.4
230.79965	0.3
239.26324	0.3
265.58878	0.3
339.01434	0.3
369.59421	0.3
592.24640	1.6
593.26593	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	0.9
72.99308	1.8
75.00874	100.0
78.95896	0.8
89.78545	0.3
92.16369	0.4
97.29131	0.3
124.88612	0.4
126.46726	0.3
137.67905	0.4
138.66624	0.3
149.46347	0.4
152.99590	1.2
153.50920	0.3
159.88243	0.4
277.21762	1.5
279.23312	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48877	1.9
52.32980	2.0
57.03441	3.9
59.01377	100.0
61.98826	30.4
69.03471	3.4
69.70210	12.4
71.01384	18.0
73.02943	6.2
79.95716	2.9
80.96511	2.8
83.01389	3.3
85.02943	11.0
87.00895	4.2
88.98831	2.7
89.02443	5.1
93.03472	3.4
96.96063	3.9
98.20011	4.3
99.00871	2.3
101.02444	9.8
113.02480	11.1
123.08170	2.8
149.04517	5.4
161.04599	4.1
163.11214	2.2
163.63385	2.1
171.10248	2.0
173.04597	2.6
191.05611	8.1
337.20135	8.2
340.64539	2.6
341.26547	2.7
362.98123	1.9
388.27493	2.2
457.24997	10.2
467.30014	3.1
485.31198	23.5
486.31488	4.7
503.32080	15.8
504.32358	2.3
589.29401	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	590.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.0
61.98829	100.0
69.23333	2.6
70.79306	0.3
74.67297	0.3
77.95956	0.3
80.96507	0.6
85.02931	0.5
98.20731	0.4
109.43375	0.3
111.17663	0.3
115.92104	0.4
116.92878	0.5
208.50569	0.3
232.95782	0.4
247.42270	0.4
328.05917	0.4
398.86768	0.4
591.23999	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85064	0.9
59.01373	1.0
60.88945	0.8
61.98829	100.0
69.50191	1.0
70.72265	2.2
76.08939	1.0
78.95905	20.9
81.08592	0.8
99.04526	1.1
116.69225	0.9
152.99553	3.5
168.04282	2.1
183.70082	0.9
199.13338	4.2
206.37331	0.9
224.06940	6.1
273.30069	1.1
279.19638	8.1
347.25891	2.3
365.26920	55.2
366.27332	3.0
590.34674	23.4
591.24689	1.1
591.34741	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41763	1.2
71.14688	2.6
227.97896	1.2
246.58138	1.4
285.20123	1.3
289.60907	1.3
434.03882	1.3
443.22699	1.6
445.19540	1.7
471.21017	1.3
472.22714	2.1
482.20935	1.6
485.19370	1.5
487.24936	3.5
497.23566	4.0
499.21588	3.0
500.22153	11.6
513.02734	1.4
514.23706	1.5
515.24518	100.0
516.24811	13.9
519.23676	1.3
559.23566	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	591.2615
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
56.22376	0.3
69.27402	3.6
69.89954	0.3
70.82207	0.4
72.15093	0.4
83.81095	0.4
106.06629	0.5
119.97911	0.4
158.06244	0.4
199.39413	0.4
396.17212	0.6
443.22699	2.6
444.19604	0.6
445.20221	1.4
445.25189	0.6
447.25861	0.6
455.22348	1.2
456.23367	0.9
457.20361	0.6
458.21213	0.9
459.21967	2.4
471.20895	1.4
471.25662	2.9
472.23572	1.9
473.23346	1.5
482.21307	1.9
485.19412	2.3
487.25546	3.8
488.22269	0.5
496.22845	0.6
497.23505	4.2
499.21457	4.0
500.22153	13.2
500.58008	0.5
501.22354	1.9
503.21130	0.9
504.21588	0.7
513.23029	0.8
514.23804	0.8
515.24512	100.0
516.24823	14.1
518.22668	0.7
519.24188	0.8
559.23621	4.1
560.23676	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49378	0.3
57.03440	0.7
58.00588	1.0
59.01381	31.1
70.13700	0.9
70.24841	0.3
71.01382	18.1
72.01711	0.3
72.99310	1.2
73.02949	0.8
75.93634	0.3
83.01371	1.1
85.02945	4.6
87.00869	0.9
89.02444	15.6
95.01392	1.3
98.19984	0.4
99.00877	0.5
101.02439	11.7
113.02449	6.5
116.92912	0.3
119.03511	6.7
122.03738	9.9
127.82922	0.3
131.03522	0.5
134.03734	0.5
143.03493	0.7
149.06065	2.8
151.07639	0.3
153.09233	0.5
159.77478	0.3
161.04567	0.9
176.08417	0.6
177.08954	0.4
178.10046	0.4
179.05606	1.3
179.07095	0.3
179.10797	0.6
189.09166	0.3
191.05614	0.9
191.10771	6.3
192.11134	0.8
207.10298	0.3
223.79715	0.3
231.14030	0.7
248.14305	0.5
249.14967	4.1
251.13434	0.3
267.15985	12.2
268.16409	0.7
428.20322	0.9
429.21243	100.0
430.21600	8.5
531.24420	0.8
549.25488	0.6
591.17389	0.6
591.26392	2.3
592.26758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.6
58.00590	1.7
58.99586	1.0
59.01380	36.6
60.53834	0.8
61.98826	0.8
65.79554	0.9
69.27198	6.9
71.01383	50.1
72.99307	1.5
73.02940	3.8
75.00858	0.9
77.36468	0.7
83.01381	2.2
85.02950	10.3
87.00897	3.6
89.02444	41.6
93.44859	0.7
95.01378	1.8
96.95998	4.8
97.02974	0.7
99.00882	2.4
101.02438	18.5
102.98586	2.4
103.42905	0.8
111.00907	0.8
113.02446	17.0
119.03512	3.9
122.03735	9.9
129.01938	3.2
131.03494	3.8
134.02863	0.8
134.03767	4.0
135.04520	2.0
136.05290	1.6
137.02461	1.2
142.94958	0.8
143.03511	5.5
148.05305	2.8
149.02504	1.1
149.06075	9.6
150.03241	1.6
151.07648	3.0
153.05530	0.8
159.02933	1.2
161.04544	10.2
161.06024	2.3
163.07556	0.9
165.05544	2.1
170.05562	0.8
173.09743	1.0
176.08426	45.2
177.08920	2.4
179.05595	9.1
189.09184	2.2
190.09869	1.4
191.05548	1.8
191.09006	1.5
191.10776	23.4
192.11139	1.2
205.08618	1.5
207.10271	1.4
235.08224	21.0
236.08592	0.9
241.16777	0.8
247.13390	2.2
254.03671	1.1
265.14380	11.0
323.09799	1.9
426.18765	1.3
427.19705	100.0
428.20087	9.7
430.06882	0.9
553.93866	0.8
589.15454	1.7
589.25165	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.6
60.24036	0.5
60.91326	0.4
61.98838	3.0
71.09332	1.4
72.99304	2.1
75.00869	100.0
76.01233	0.7
78.95897	2.7
93.09070	0.6
123.12515	0.5
146.29573	0.5
152.99561	3.4
157.86095	0.5
179.13478	0.5
217.12096	0.6
277.21729	7.7
337.61176	0.5
505.25699	4.8
580.36926	0.6
590.22968	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17622	1.3
59.01373	4.1
71.01380	2.7
71.53204	1.3
71.53622	2.5
84.64287	1.1
96.96009	5.6
107.38388	1.3
111.57481	1.2
120.45448	1.3
150.54071	1.5
163.04025	2.0
164.04782	90.2
165.05164	3.0
179.07133	100.0
180.07402	4.2
197.04655	1.7
231.86374	1.4
263.39255	1.7
341.12387	11.9
350.82294	1.5
383.13400	12.8
549.62610	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	589.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61274	0.6
58.99602	16.9
59.01377	3.5
61.98832	2.6
71.01387	0.5
71.52273	0.5
74.99093	1.9
85.02969	0.5
96.96024	0.8
99.04531	2.4
101.02439	0.8
102.98594	100.0
103.98943	0.9
110.27529	0.5
120.99644	6.1
163.00713	7.3
164.04790	3.8
173.04524	0.9
179.07109	2.2
183.27162	0.6
191.05623	1.0
206.02315	0.8
249.78502	0.6
280.81674	0.5
365.10776	0.6
393.07623	0.5
418.01974	0.5
424.88782	0.6
438.06479	0.6
503.19827	0.8
541.42810	0.6
545.20551	4.9
590.31915	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29438	0.7
55.01871	0.8
57.03444	1.6
58.00592	1.0
59.01382	35.7
63.41701	0.7
67.88008	0.7
71.01381	28.0
71.01783	1.4
71.51418	1.4
72.99303	2.5
73.02957	3.9
80.96516	0.9
81.03460	0.7
81.17026	0.7
83.01375	1.1
85.02958	7.1
87.00874	6.2
89.02448	20.4
89.68135	0.8
93.03467	0.8
95.01392	2.5
96.96004	5.0
99.00873	2.0
100.32067	0.8
101.02445	23.0
113.02450	10.9
115.18842	0.7
116.92865	1.8
119.03524	5.3
122.03738	9.5
123.30820	0.7
125.02402	1.2
134.03731	2.9
135.04520	2.2
143.03476	2.3
145.05083	6.5
148.05299	2.4
149.06073	9.9
150.03133	1.2
151.03981	1.0
151.07622	2.3
161.04553	9.7
161.06094	3.0
162.06851	1.1
163.04056	0.8
165.05495	1.8
173.09694	1.1
176.08423	45.5
177.08881	3.3
179.03442	1.0
179.05611	3.2
189.09169	1.7
190.09950	1.1
191.05647	5.1
191.10779	23.4
192.05942	1.1
192.11145	1.6
195.06441	1.1
205.08696	1.5
207.10333	1.3
229.12204	1.4
235.08214	33.2
247.13211	1.4
259.05472	0.8
265.14465	7.2
337.25815	0.7
367.21359	4.1
377.73721	0.8
426.19037	1.0
427.19699	100.0
428.20004	9.3
589.25543	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	587.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.6
58.99606	16.6
59.01370	9.0
70.31487	4.9
73.02954	1.8
74.99066	2.9
85.11093	2.0
91.77773	1.9
96.96027	11.0
99.04517	28.9
102.98598	100.0
120.99642	19.0
121.02957	5.2
133.35725	1.9
138.93568	2.0
147.08173	3.5
161.06096	4.2
163.00725	11.0
163.01913	1.7
209.04553	5.3
219.10249	4.4
231.10242	17.7
239.11432	2.4
239.97200	2.1
241.47705	1.9
249.11243	3.9
251.12830	3.8
253.48633	1.9
261.11295	5.8
294.47812	1.9
295.10049	3.4
309.75433	1.9
311.77713	2.1
327.98651	2.2
363.38623	2.0
501.18164	2.9
525.17798	5.8
543.18903	22.7
587.30914	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	587.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.8
61.15325	1.8
61.69138	1.8
61.98824	38.6
71.01376	7.9
78.95905	4.6
80.96497	2.4
83.01386	2.2
85.02952	5.4
86.00072	2.7
87.00877	3.4
91.74533	1.7
93.03465	3.5
95.01393	2.6
99.00788	1.8
99.04482	2.4
99.25433	1.7
113.02431	7.5
125.02422	2.3
152.99591	2.8
171.10236	7.8
173.04520	3.6
191.05540	2.5
209.11905	2.2
299.20065	7.5
315.19540	6.9
317.21191	23.3
332.23511	1.9
337.17786	8.0
357.20474	15.6
381.20551	5.8
399.14389	4.0
399.21530	3.6
401.19360	9.1
461.25259	10.6
483.23630	9.7
501.24652	100.0
502.25159	10.8
519.34998	2.0
543.25745	19.0
544.26257	2.7
545.23431	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	588.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95903	1.1
59.01376	2.2
60.70143	1.1
61.98827	11.3
63.88004	1.3
78.95898	22.8
85.03407	1.1
96.96981	1.4
98.20770	2.5
140.01175	1.4
152.99582	13.6
173.60799	1.4
191.05605	1.5
196.03738	5.3
205.47275	1.2
211.06288	1.4
277.21710	100.0
278.22083	6.8
310.10526	3.1
333.28204	1.2
474.26193	8.7
503.23929	2.1
544.30176	2.0
588.32916	39.5
589.33398	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	589.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05140	1.5
59.01368	7.1
71.01386	2.5
71.47256	1.6
71.52393	2.2
73.02930	1.7
85.02929	3.1
93.03454	8.8
96.95966	1.7
120.99641	1.8
137.02492	11.6
164.04791	87.6
165.05046	3.8
179.07133	100.0
180.07446	4.2
189.81331	1.7
191.05539	4.8
204.00542	1.7
341.12408	15.7
383.13400	10.3
409.48944	1.6
427.19632	2.1
589.22516	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	587.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32518	0.8
58.99600	16.3
59.01369	2.8
61.98819	3.7
64.91708	0.9
74.99094	3.1
79.95713	1.5
85.02950	1.0
90.98591	18.9
96.95976	1.0
99.04496	9.6
102.98592	100.0
118.98073	1.8
120.03187	0.9
120.99637	7.1
144.30716	1.1
163.00681	9.2
163.04008	4.1
178.06305	3.6
183.55446	1.0
191.05524	1.1
193.08644	3.6
241.07860	0.9
252.59779	0.9
253.46956	1.0
273.04413	5.5
275.03995	1.1
279.12433	1.5
398.60452	1.1
467.13730	3.4
499.16040	2.0
543.18958	2.8
601.83746	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99602	20.6
59.01371	3.0
60.53003	0.7
61.98821	2.1
61.99136	0.6
69.38480	6.1
71.01388	1.0
73.02986	0.8
74.99093	5.8
83.27531	0.8
90.98594	1.1
96.96002	2.5
99.04506	4.7
102.98596	100.0
107.42950	0.8
111.00827	1.6
120.99665	6.1
121.42929	0.8
162.20502	0.7
163.00697	7.9
167.70889	0.8
280.10797	0.7
339.21774	7.5
351.44617	0.8
499.16553	3.1
501.18137	1.0
516.76001	0.8
543.19189	2.7
587.21814	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	585.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	3.9
78.95904	83.9
96.96975	10.5
143.38800	1.5
152.99582	69.3
153.99901	1.4
163.04034	2.1
171.10268	100.0
172.10602	4.0
174.40088	1.6
181.20937	1.5
277.21722	61.9
278.22043	3.4
301.21600	6.8
307.09546	32.9
308.09927	2.5
325.10657	8.8
413.20972	19.2
431.22083	9.8
585.31891	13.9
586.32465	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	585.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.51503	0.5
76.58322	0.3
78.95903	5.8
79.55441	0.4
96.96973	0.4
97.14673	0.3
115.92094	0.9
116.92087	0.3
152.99561	2.6
196.89476	0.6
208.30417	0.4
234.50980	0.3
241.01248	0.8
255.23462	0.8
256.23624	0.6
269.24991	1.1
283.26483	1.6
284.26791	0.6
406.47357	0.4
477.15964	0.5
484.28024	0.9
494.17450	0.4
508.34448	1.2
585.20636	2.7
585.30640	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.309
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	1.9
59.01353	1.5
60.42080	1.0
61.66451	0.8
61.98825	6.5
71.01385	1.0
71.28949	1.1
71.29273	1.1
73.04073	5.7
74.17459	0.8
78.95877	0.8
82.02919	1.2
84.04562	5.1
85.02897	0.9
87.05648	12.2
93.98654	0.9
96.96014	1.1
97.04067	2.8
98.02466	2.5
99.05575	0.8
102.05605	33.5
109.04092	1.3
110.02444	1.7
115.05131	17.4
125.07182	1.0
126.06737	11.7
127.05119	1.4
128.03540	100.0
129.03899	2.4
129.10332	3.2
130.08739	19.5
130.48228	0.9
139.08823	1.7
140.07141	6.2
144.07791	9.6
145.06174	13.0
146.04593	31.0
153.10419	1.0
154.12329	1.2
155.08311	1.3
155.11855	2.7
156.52731	0.8
157.13472	1.6
165.10300	1.1
167.11949	1.2
167.77498	0.8
168.07770	21.7
169.06194	0.9
171.15012	4.4
182.12962	2.8
183.11365	3.0
186.08842	14.3
191.05562	1.7
197.12923	1.5
199.18126	2.3
207.14911	1.5
208.13380	3.7
214.15608	1.1
215.14056	4.1
225.16035	2.8
241.11926	1.1
243.17090	1.8
252.20865	2.6
270.21915	5.2
284.23361	1.3
284.72586	0.9
300.15695	1.5
314.20950	1.8
317.11414	1.0
327.23953	1.5
328.22388	2.3
355.26947	2.0
371.12589	1.2
399.26047	5.0
413.24002	34.8
414.24228	2.7
416.73538	0.9
423.17380	1.2
439.25409	2.0
457.26721	12.9
458.26868	1.5
498.29388	2.7
542.28308	63.8
543.28613	8.5
568.29828	2.6
586.30908	90.3
587.31244	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	584.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.6
61.98828	100.0
69.84733	1.1
69.85142	1.1
78.95887	0.8
96.96032	0.9
128.10898	0.5
176.93512	0.4
181.53236	0.5
191.05646	1.0
211.68851	0.4
297.13669	0.4
332.19815	0.4
585.18256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68223	0.2
58.39910	0.3
58.79929	0.3
59.01378	0.9
61.98830	100.0
63.99265	0.3
69.15774	3.0
96.96033	0.4
113.93945	0.3
120.99561	0.3
150.03230	0.4
164.60664	0.3
165.05614	0.6
179.03523	0.3
191.05600	0.4
195.06639	0.4
209.22838	0.3
255.85858	0.3
549.71082	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24063	0.9
57.03451	1.3
58.99605	15.7
59.01369	5.4
61.98826	4.2
63.68040	1.1
69.24972	0.9
69.33730	0.8
71.01392	1.4
74.99101	2.2
78.95918	1.2
84.96816	0.9
93.03466	1.4
94.69449	0.9
96.96009	6.9
99.04525	13.4
99.92586	1.2
101.02466	1.3
102.98592	100.0
116.92875	4.2
120.99646	9.6
133.02858	1.0
145.06587	1.1
163.00682	7.8
191.05548	2.5
203.10672	1.4
229.08655	3.2
229.46400	1.1
249.09552	5.6
277.10666	1.2
491.18683	1.2
499.16412	2.4
541.17517	13.7
541.25293	1.9
542.17670	1.8
585.29535	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	583.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68690	2.1
59.01381	17.7
61.98828	6.1
70.65196	4.6
70.65578	4.0
71.01385	7.9
73.02948	10.0
83.77334	2.6
85.02953	2.8
93.03481	3.2
93.34256	2.3
96.95987	11.4
101.02441	5.8
116.92867	7.5
149.05902	2.2
179.79573	2.3
191.05597	5.7
192.05923	3.0
192.19138	2.3
254.57399	2.3
335.22256	100.0
336.22662	8.5
349.23965	5.3
377.22931	2.8
583.28540	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	583.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.3
61.96505	0.8
61.98822	4.6
65.04809	0.9
69.85823	2.3
69.86244	2.7
71.85395	0.9
94.44224	0.9
149.06161	1.1
237.59070	1.1
307.22781	1.3
317.21176	1.8
335.22244	100.0
336.22598	7.5
408.90292	1.0
583.36798	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41528	0.2
55.24484	0.1
59.01384	0.8
61.98830	100.0
62.49192	0.1
62.98529	0.2
65.62408	0.1
67.56942	0.2
78.95904	3.6
80.96357	0.3
96.96967	0.2
98.20699	0.3
101.92381	0.2
115.92088	0.6
116.92110	0.3
116.92880	0.4
117.91903	0.3
117.92916	0.3
118.92663	0.3
120.96904	0.2
143.01529	0.2
152.99593	1.4
178.88452	0.2
179.89252	0.5
180.90028	0.4
181.88959	0.2
182.89790	0.2
191.05701	0.2
196.89526	0.7
197.89442	0.3
198.89427	0.5
205.97087	0.2
215.45355	0.2
236.92604	0.4
237.92754	0.2
238.92960	0.3
281.24872	1.8
282.25211	0.7
283.25507	0.5
284.25836	0.5
411.11703	0.2
492.14838	0.3
506.32382	1.2
507.32928	0.3
509.33066	0.8
547.16119	0.3
583.18866	2.4
583.36066	0.3
584.18567	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	21.2
60.95695	0.5
67.34817	0.5
69.68933	0.9
69.69347	2.1
77.10973	0.4
78.95899	36.0
81.33301	0.4
81.54539	0.6
96.95988	0.7
96.96974	1.1
99.92572	2.3
115.92062	6.5
116.92860	3.8
152.99582	7.4
168.04286	3.5
170.71512	0.5
171.00673	0.6
172.95378	0.7
178.88414	2.3
179.89168	3.6
180.89973	3.9
181.90688	0.7
182.28131	0.5
196.89464	6.5
205.90637	0.6
224.06903	8.2
224.10738	0.6
227.32370	0.6
235.91772	0.9
236.92606	1.9
242.07895	1.8
255.23273	1.5
283.26389	100.0
284.26718	6.7
295.33765	0.6
411.18375	0.6
475.15204	1.3
508.34018	60.4
509.34610	5.9
535.17682	1.2
547.17322	1.5
553.66296	0.5
582.31635	0.6
583.19690	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	583.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46028	2.4
53.28030	2.3
57.03455	5.5
58.99599	11.8
59.01375	29.6
61.98829	56.0
71.01388	12.5
71.52161	2.9
73.02955	4.3
85.02946	7.9
89.02457	6.2
93.03445	3.0
93.52307	2.6
96.95997	18.4
99.04519	20.8
101.02440	7.1
101.76202	2.8
102.98597	100.0
103.18079	2.4
111.08126	3.4
113.02444	9.9
116.92855	5.3
120.99654	10.8
126.14481	2.9
130.29292	3.0
154.99841	3.4
163.00702	8.3
171.08148	4.5
173.00919	4.1
173.08141	4.7
191.05653	12.9
208.27866	2.8
211.07668	3.9
222.52666	3.0
249.11229	2.6
257.91891	2.9
279.10687	2.7
356.39618	2.4
523.34674	4.0
539.21069	4.2
583.20538	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	581.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65233	3.4
59.01378	3.7
72.82184	3.5
80.41428	3.1
98.19862	7.8
102.00924	3.4
112.10649	3.4
196.08221	3.3
238.28137	3.2
247.00409	3.6
279.23273	100.0
280.23749	4.9
301.21652	9.5
396.53336	3.8
416.69757	3.7
581.45575	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02006	0.5
56.26657	0.5
59.01379	5.6
61.98830	100.0
62.96677	0.6
65.89610	0.6
69.16691	2.7
69.17117	3.2
71.01385	2.2
73.02956	1.6
83.01430	0.6
85.02960	0.8
87.00917	0.7
89.02478	0.9
96.96029	1.0
101.02460	1.9
113.02451	1.0
119.03510	0.9
134.06837	0.6
161.04553	0.8
161.83113	0.6
191.05614	1.8
206.02281	1.0
397.81723	0.8
521.33319	2.2
522.33667	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	582.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71105	0.6
59.01386	5.5
61.98828	100.0
63.35524	0.5
67.98785	0.7
69.19514	3.5
69.19939	2.7
71.01384	3.0
73.02962	1.4
85.02988	1.1
89.02431	1.2
93.03459	1.2
93.08016	0.6
93.39989	0.6
96.96032	1.0
98.20663	1.4
101.02448	1.6
108.87866	0.6
113.02467	0.8
165.05698	0.6
186.58974	0.7
191.05556	3.6
268.02994	0.7
272.32593	0.6
377.29187	0.7
521.33386	2.3
522.33917	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	581.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.9
61.98836	1.1
62.26892	0.8
67.01883	1.7
67.08630	0.7
69.03435	0.8
69.49965	3.7
71.01367	2.0
72.99288	0.7
73.02939	3.0
82.20535	0.8
85.02965	1.2
87.00876	2.5
91.97157	0.7
93.03456	7.2
96.95998	1.2
99.04507	1.2
101.02422	3.0
111.04534	1.9
115.92091	0.9
116.92855	3.3
130.93164	0.9
135.04504	1.5
154.02968	0.8
173.04495	8.4
187.07561	0.8
191.05602	16.5
192.06064	1.0
203.07062	1.0
229.08865	1.3
233.08322	1.0
247.09639	1.2
251.09303	1.6
252.65826	0.8
285.91837	0.8
315.19540	1.5
333.20694	100.0
334.21066	8.9
347.22510	1.0
375.21158	0.8
537.27264	0.8
563.21582	5.3
581.22083	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	581.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
61.98827	100.0
62.98537	0.1
70.03046	0.5
78.95925	0.3
82.96104	0.3
84.67825	0.1
94.51970	0.1
117.18336	0.1
152.99603	0.5
279.23273	2.4
280.23615	1.1
280.73083	0.1
281.23917	0.5
282.24359	0.4
286.48413	0.1
319.22852	0.1
328.71259	0.1
417.66571	0.1
457.13037	0.1
504.30801	0.7
505.31198	0.1
507.32123	0.4
555.88397	0.1
580.27576	0.1
581.26343	0.7
581.35156	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31187	0.1
59.01374	0.3
61.98827	100.0
63.67578	0.1
64.91142	0.1
69.23734	1.2
71.01394	0.1
78.95905	0.9
79.63190	0.1
80.96492	0.2
82.96129	0.3
84.94830	0.1
96.97701	0.1
101.97002	0.1
121.74792	0.1
126.40756	0.1
139.22769	0.1
141.54654	0.1
152.99568	0.4
155.26398	0.1
224.06929	0.2
279.23254	1.8
280.23550	0.7
281.23947	0.4
282.24277	0.2
504.30984	1.1
505.31351	0.2
506.31601	0.3
507.31522	0.6
581.26965	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44211	1.2
53.06915	1.4
59.01386	11.9
60.00891	1.3
61.21230	1.3
61.98827	3.5
71.01374	4.4
71.52491	1.5
73.02941	3.4
76.69517	1.2
81.58531	1.2
87.00863	3.1
93.03440	9.1
96.94277	1.2
99.04485	1.4
101.02427	2.8
116.92822	2.4
130.86934	1.3
135.04515	3.1
173.04523	13.4
191.05606	22.6
193.81824	1.7
233.06291	1.5
233.08382	2.1
247.09622	1.6
262.22104	1.2
281.27274	1.2
333.20700	100.0
334.21149	8.1
334.24655	1.3
493.24088	3.4
537.26984	1.4
539.55634	1.4
563.21118	10.3
564.21692	2.1
581.21570	1.4
581.30505	1.7
592.57385	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76474	0.8
55.01885	0.8
58.77234	0.9
59.01379	100.0
61.98827	1.7
68.06866	1.0
69.20172	0.7
70.73244	1.5
71.01374	2.4
72.99296	1.3
73.02911	0.9
78.83506	0.9
85.02954	3.2
87.00915	0.9
93.03475	4.9
96.96001	1.1
103.13685	1.0
105.27198	0.9
108.02178	32.2
109.03018	5.9
113.02435	1.8
119.81243	0.9
121.02960	2.6
123.04465	0.9
135.04477	1.9
137.02448	10.7
147.04506	1.3
151.04002	5.5
152.01160	58.0
153.01753	3.1
161.04628	1.4
163.03984	3.2
164.21176	1.0
173.04558	1.8
176.72343	0.8
177.01875	0.9
179.03592	1.1
179.07150	2.2
184.78610	1.0
191.05637	5.7
225.40906	0.9
251.61676	1.0
269.08142	6.8
281.08167	1.5
283.09738	3.9
299.09164	5.1
311.09293	8.3
314.11630	10.3
315.11731	0.9
324.32858	1.0
326.11633	6.6
329.13943	44.1
330.14246	2.0
341.13934	24.6
342.14310	2.1
359.15012	1.4
389.16196	2.1
429.10294	21.5
430.10638	1.7
581.15106	44.7
582.15161	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90218	0.5
55.01865	0.9
59.01380	2.8
59.23691	0.5
69.03470	0.6
71.01392	2.8
72.99304	0.8
83.01373	0.6
85.02962	2.6
93.03453	6.1
95.01366	0.8
96.01167	0.5
96.96033	0.6
97.02973	0.5
99.00902	0.7
101.02422	0.8
107.05044	1.1
108.02176	57.4
109.02974	12.9
113.02456	1.5
121.02944	1.3
123.00926	1.1
134.03676	0.6
135.04536	1.8
137.02449	16.9
151.04005	8.1
152.01151	100.0
153.01936	4.8
163.03970	4.1
173.04491	0.8
177.01958	1.4
177.05583	0.9
179.03503	1.2
191.05595	3.1
207.02989	0.5
372.94531	0.6
429.10364	34.9
430.10684	2.3
581.15082	73.7
582.15442	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	581.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.6
57.03435	1.9
57.49418	0.6
58.00611	0.6
59.01381	45.2
69.03429	0.9
69.87747	3.1
71.01384	16.9
72.99321	1.2
73.02956	4.8
83.01379	4.7
85.02950	11.1
86.00060	0.9
87.00880	1.2
89.02448	1.2
91.64548	0.7
93.03455	2.4
95.01393	2.6
96.96004	1.1
97.02917	0.9
99.00883	2.4
101.02447	11.6
105.03473	0.8
108.02187	1.3
111.00867	0.9
112.01705	1.5
113.02448	5.9
119.03469	1.1
121.02968	7.1
122.03723	9.8
123.04516	1.7
124.01638	0.7
125.02393	1.0
132.02156	2.8
133.02962	13.8
134.03741	2.6
135.04567	1.3
136.51523	0.7
137.02464	0.7
147.04517	2.0
149.02438	52.8
149.06081	3.3
150.03229	67.4
151.03606	2.6
161.02425	0.8
161.04619	0.9
162.03247	0.7
164.04779	13.2
165.05568	58.8
166.06364	6.9
167.07074	1.9
177.05577	1.1
180.04262	3.6
181.08698	7.7
191.05585	4.6
195.04832	1.1
195.06615	22.8
196.06960	0.9
247.75998	0.7
269.89877	0.7
270.08981	2.1
283.09753	1.7
302.58658	0.8
314.11633	7.2
315.12241	2.0
325.12918	17.2
326.13275	1.0
329.13934	16.2
330.14304	1.6
343.13977	7.7
385.15067	2.1
401.53040	0.8
413.16150	0.8
473.18149	100.0
474.18378	9.6
491.19223	44.9
491.26611	1.4
492.19638	5.3
521.20441	3.2
533.20306	38.5
534.20685	4.7
539.21417	5.5
581.22382	15.4
582.22760	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	580.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10923	0.4
59.01377	16.2
61.98829	2.7
70.53286	0.5
70.53635	0.9
71.01382	0.6
74.82505	0.4
78.95902	10.0
79.95732	0.6
80.96523	5.2
88.88161	0.4
94.98094	0.6
96.96964	0.4
99.92584	0.7
115.92058	1.8
116.92842	1.1
152.99591	1.9
164.98582	0.8
168.04294	1.3
171.00623	0.6
178.88403	0.4
179.89214	0.9
180.89967	1.3
191.05438	0.4
196.89604	2.4
224.06911	1.1
225.00841	1.0
236.92598	1.1
242.07924	2.5
281.24841	100.0
282.25198	5.8
506.32495	28.3
507.32816	3.6
580.28662	7.2
581.18225	3.4
581.28186	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.8
61.98826	3.6
62.96400	0.4
63.99229	0.6
68.95568	0.4
69.91110	2.0
78.95901	26.1
79.95750	0.5
80.96092	0.4
80.96493	2.7
83.36449	0.4
91.06720	0.4
94.98100	0.7
96.96967	0.8
98.53516	0.4
99.92542	1.1
108.93613	0.5
115.91341	0.4
115.92077	2.7
116.92857	1.7
122.97650	0.4
122.98521	0.6
152.99585	3.7
168.04309	2.5
171.00616	0.6
178.88435	1.4
179.89296	2.2
180.89970	1.0
196.89438	2.5
224.06915	8.1
225.00742	0.5
235.91811	0.7
236.92561	1.9
242.07994	2.2
276.95935	0.4
281.24835	100.0
282.25171	6.4
377.51605	0.4
456.41702	0.5
473.13919	0.6
506.32471	63.2
507.32794	6.4
580.28534	4.0
581.18280	6.8
581.27930	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.2
61.98829	100.0
62.05980	0.1
62.62576	0.1
78.95905	0.5
80.28460	0.1
98.19889	0.3
132.40021	0.1
152.99562	0.3
159.52373	0.1
185.04755	0.1
226.88275	0.1
259.83807	0.1
263.07199	0.1
277.21725	2.3
278.22064	0.8
279.22427	0.4
280.22760	0.3
311.03549	0.1
502.29395	0.7
504.30276	0.2
505.30399	0.2
579.31342	0.2
603.64929	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	579.317
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48928	0.7
58.00587	1.1
59.01381	22.9
61.98823	0.9
71.01376	23.4
71.52367	1.0
72.99318	1.1
85.02952	2.2
89.02442	27.9
95.01365	1.0
99.04498	1.1
101.02454	6.5
106.72642	0.8
113.02438	6.4
119.03484	3.6
131.03481	2.1
134.53943	0.8
143.03510	2.2
149.04573	1.0
161.04506	2.0
179.05594	9.2
201.75728	0.8
208.39314	0.9
222.05424	0.8
347.36813	0.9
348.82211	1.0
354.88107	0.8
399.25372	100.0
400.25717	9.0
422.77261	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.5
63.01700	1.6
71.01410	2.9
71.05013	5.3
78.95910	4.4
83.05035	2.4
97.02972	4.3
97.06599	3.7
99.00884	18.7
102.36843	1.4
123.08106	1.6
125.09721	12.0
127.11412	1.5
153.12846	1.8
163.11342	11.5
181.12349	21.2
199.13388	34.8
207.10245	33.2
210.87914	1.5
225.11320	91.5
226.11755	2.4
239.01767	1.9
243.12314	20.1
279.23291	100.0
280.23663	4.4
299.15021	15.0
317.16058	22.8
579.39050	98.0
580.39600	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	579.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.1
57.03452	1.4
57.32061	1.1
58.00592	1.1
59.01382	40.8
61.98827	7.8
71.01382	17.9
71.52484	1.6
72.99319	1.2
73.02943	6.3
79.95758	3.8
83.01391	4.7
85.02940	7.7
87.00897	3.8
89.02458	4.4
93.03471	5.5
95.01405	1.4
95.95237	4.3
96.96024	2.4
99.00871	2.9
101.02459	11.1
104.91403	1.1
111.04555	1.3
113.02465	5.9
114.75620	1.0
117.19448	1.0
131.03514	1.3
155.10802	1.1
163.00703	9.1
173.04520	4.1
191.05614	11.7
192.06104	1.1
199.13297	6.9
199.49890	1.0
226.25282	1.0
343.17694	9.2
361.18698	36.8
362.18936	2.0
403.19711	100.0
404.20184	6.6
493.22760	2.3
519.31897	7.0
535.16174	0.9
535.23883	20.1
536.24426	2.0
537.32629	1.7
561.20007	1.3
579.24835	11.4
580.24683	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92970	0.1
58.26167	0.1
59.01374	0.1
60.56946	0.1
61.98829	100.0
69.24141	0.6
69.24570	0.3
78.95898	0.7
128.16304	0.1
143.50011	0.1
152.99615	0.3
224.07025	0.1
277.21729	1.3
278.22147	0.2
346.55331	0.1
374.05362	0.1
472.93442	0.1
502.29413	1.0
505.30374	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
57.03426	0.9
59.01380	76.6
61.98814	1.0
69.03465	1.3
69.16190	9.4
71.01384	21.6
72.99328	1.2
73.02946	32.8
75.00878	2.5
83.01382	8.9
85.02959	4.7
85.03399	1.0
87.00886	1.5
89.02448	6.2
93.03445	5.4
95.01376	2.2
96.96024	1.0
98.19859	1.8
99.00883	1.0
101.02447	29.1
106.13046	0.9
106.88649	0.9
109.02946	1.3
113.02453	13.0
113.41389	1.1
119.03506	3.8
121.02947	5.8
122.03738	9.9
123.04551	1.4
125.02432	1.6
131.03496	1.7
132.02243	1.3
133.02966	1.9
135.04544	1.3
136.01651	1.8
143.03479	2.5
146.03732	3.4
147.04515	1.7
149.02443	50.3
149.04324	6.1
150.03226	72.1
151.03700	2.6
155.03462	1.0
161.02507	1.3
161.04567	9.2
161.05927	1.1
162.03200	6.4
163.03914	1.2
164.04797	17.6
165.05574	69.0
166.05872	2.4
173.04510	1.0
177.05602	7.4
179.05777	1.3
179.07141	5.1
180.04292	3.6
191.05605	4.0
195.06621	39.9
196.06937	1.8
203.05617	2.6
205.79295	0.9
221.06657	2.7
283.09766	2.8
284.10278	1.5
312.10013	16.1
313.10324	1.1
327.12366	100.0
328.12805	7.1
339.12238	1.3
364.69855	0.8
375.14413	1.7
406.59079	0.9
471.16547	13.2
472.16870	1.1
489.17459	2.3
519.18817	1.3
531.18878	5.4
537.19708	3.0
579.20544	10.9
580.20697	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27423	0.6
51.95456	0.7
59.01379	100.0
60.01714	0.9
66.93712	0.7
71.01385	2.1
71.52502	1.2
73.02939	1.4
85.02966	1.3
93.03469	1.1
96.96021	2.5
121.02975	1.5
126.90474	4.9
151.04007	1.0
173.04623	1.6
175.03951	1.4
190.06448	1.1
191.05629	6.1
191.07191	1.1
201.08778	5.0
222.05376	1.6
227.03539	1.2
239.07069	0.7
255.03102	1.1
263.07150	1.8
267.06812	0.8
269.08426	2.1
272.59070	0.8
279.06628	2.3
281.08273	3.1
282.08997	1.0
284.03284	1.8
285.04102	0.9
293.08218	0.9
294.09015	2.7
297.07718	9.0
297.11023	1.2
308.10614	1.4
309.07764	12.3
309.11383	3.2
310.08087	1.5
311.09497	0.8
312.09988	10.0
318.30911	0.8
323.09259	2.4
324.10022	9.7
327.12347	39.6
328.12787	2.5
339.12341	39.5
340.12790	3.2
357.13358	1.4
417.15616	1.7
579.13593	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.1
60.22748	2.0
61.98821	7.0
65.00317	2.1
69.03447	2.1
71.01373	11.0
73.02928	4.9
74.90351	2.1
83.01375	2.5
85.02935	5.0
87.00875	2.4
89.02440	2.9
93.03429	9.4
96.83167	1.9
96.95982	7.3
98.95580	3.8
100.89832	1.8
101.02409	5.3
109.02924	2.2
110.00095	2.2
111.04457	1.9
113.02478	4.4
121.02953	8.1
136.98782	4.5
137.09698	3.3
139.00401	5.3
147.55333	2.0
149.02409	6.7
155.10779	26.5
164.98253	6.8
165.99100	10.8
166.02748	2.1
167.03416	2.1
173.04570	6.4
175.00319	4.8
177.98877	2.1
178.99899	2.5
179.03619	2.1
181.01392	9.3
181.04999	2.8
184.78670	2.2
187.03902	2.3
191.05600	23.6
199.03975	3.2
199.09758	23.9
215.03529	5.1
231.02963	3.0
233.18866	2.1
243.02914	6.1
259.02451	6.4
270.01651	6.5
271.02444	13.3
287.01923	41.6
288.02563	6.3
312.02731	5.9
315.01498	49.3
315.05121	4.1
316.02173	35.1
329.02850	3.2
330.03802	40.5
330.07703	2.9
331.04584	89.4
331.13821	3.1
332.04874	5.1
373.05670	3.3
416.20261	2.3
417.15237	3.7
519.31683	9.5
535.10962	100.0
535.19678	5.8
536.11200	7.2
537.32782	3.0
579.26007	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99599	0.9
57.03450	1.9
59.01378	5.4
60.88528	0.7
60.99305	5.7
61.98829	38.4
63.79311	0.9
63.99242	0.9
67.01889	14.2
69.03457	4.0
71.01377	6.2
71.53027	1.2
73.22777	0.8
78.95900	18.2
79.95754	0.9
81.03455	2.7
83.05033	2.2
85.02954	3.8
87.00875	17.7
93.03455	100.0
94.03799	3.4
95.82920	0.8
96.96984	1.2
99.00883	1.5
99.04475	1.9
105.03459	1.8
107.05006	2.2
109.02955	2.5
111.04509	14.0
112.04874	1.2
113.02441	1.2
115.03969	1.2
121.02994	1.0
127.04034	1.1
129.01955	2.0
132.02100	1.4
133.02965	6.4
134.03726	8.4
135.04530	17.4
136.04929	0.9
137.02435	3.9
150.03236	0.9
151.03981	1.7
152.99594	3.5
155.03481	3.1
160.01642	2.9
161.02437	3.1
171.00583	1.9
173.04539	59.5
174.04918	3.0
175.05072	1.6
177.01843	2.0
178.02710	8.1
179.03490	3.7
191.05595	39.4
215.05606	1.6
231.10226	3.0
248.14119	1.0
257.08218	3.8
275.09308	2.5
307.08334	1.3
308.09030	1.5
315.19608	4.0
351.07111	4.3
352.08011	1.1
430.98776	1.2
449.14493	34.9
450.14929	4.0
558.19147	0.9
567.08319	1.0
579.21332	11.9
579.31390	6.9
580.21411	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	578.346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	18.4
60.13728	0.7
60.31612	0.6
65.62247	0.6
66.54566	0.6
68.40611	0.6
70.06961	0.6
71.01364	0.8
71.29386	1.1
73.29177	0.6
76.23674	0.6
78.95905	21.2
78.98586	1.2
79.95731	1.3
80.96516	8.9
89.43286	0.7
94.98081	1.8
137.83792	0.7
152.99559	2.8
166.44000	0.6
168.04317	3.1
189.06358	0.7
224.06934	8.8
225.00714	1.2
242.07938	2.4
259.31860	0.6
279.23282	100.0
280.23630	6.2
288.18127	0.7
320.15265	0.7
504.30948	69.6
505.31232	7.6
578.27136	17.1
579.27271	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	578.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
61.35649	0.3
61.98829	10.3
67.01896	1.3
69.03474	0.4
71.01373	0.8
71.52942	0.5
78.95903	100.0
85.02954	0.3
87.00853	1.6
93.03457	8.7
94.03841	0.4
96.96958	9.1
99.00875	0.3
111.04517	1.1
122.98519	1.0
127.11253	0.6
133.02985	0.5
134.03732	0.7
135.04497	1.5
140.01189	0.4
150.98010	0.4
152.99588	15.0
167.14391	1.5
168.13950	1.2
171.00638	19.2
173.04533	6.2
174.04982	0.5
174.06522	0.3
178.02785	0.3
179.03465	0.4
182.10754	0.3
191.05634	2.9
194.05876	1.1
203.10440	0.3
211.13399	1.9
214.04854	0.5
229.14452	1.1
238.04919	0.4
241.18085	1.3
268.09558	3.2
282.20499	0.4
312.12216	0.4
366.16745	1.7
398.09869	0.4
449.14633	2.1
480.23413	1.6
504.27283	0.5
578.30969	56.5
579.23053	0.9
579.31464	6.3
609.61426	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57700	0.3
54.44164	0.3
55.38967	0.3
61.98832	100.0
63.78186	0.3
71.01411	0.6
76.13009	0.3
78.95920	0.8
79.95736	0.4
80.96520	2.3
96.96026	1.6
143.07722	0.3
146.43669	0.3
148.99068	0.3
152.98605	0.5
213.78619	0.3
214.88495	0.3
221.55054	0.3
279.23303	0.7
280.23608	0.7
310.33508	0.3
327.81235	0.4
338.48770	0.3
412.93030	0.3
579.28479	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	578.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25259	0.5
55.16154	0.3
59.01381	15.3
60.56712	0.3
70.37327	1.0
71.01373	1.9
71.35586	0.4
78.95914	6.2
78.98595	1.6
79.64321	0.4
79.95741	2.1
80.96519	13.1
82.96111	0.7
85.02943	0.8
87.00844	0.4
94.98105	2.7
95.98389	0.4
98.09856	0.4
101.02509	0.5
122.97614	0.7
125.68568	0.4
126.22485	0.4
134.97574	1.1
135.76535	0.4
148.99168	0.9
152.98540	0.8
152.99605	1.4
164.98657	2.3
165.98990	0.5
168.04305	1.3
177.40739	0.4
206.99690	0.6
224.06987	0.6
225.00697	2.0
226.01057	0.7
242.08029	2.7
279.23288	100.0
280.23636	6.7
299.04266	0.6
300.51035	0.5
304.06976	0.4
386.58365	0.5
435.73471	0.5
457.00128	0.4
504.30939	27.1
505.31442	3.2
578.27222	17.7
579.27252	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	577.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01342	1.1
64.30090	0.7
71.01321	0.9
71.52251	1.0
71.52623	0.8
74.21701	0.7
90.89108	0.7
111.77861	0.7
118.31525	0.7
128.92755	0.8
137.14133	0.7
181.12439	0.7
222.43263	0.8
225.11296	2.1
243.12251	0.7
277.21698	100.0
278.22070	6.5
280.07355	0.7
577.24701	1.8
577.42444	38.9
578.42462	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	577.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
57.03437	1.3
59.01382	2.1
60.61269	1.2
71.01365	1.6
71.05021	5.1
78.95878	1.3
83.05044	1.5
97.02942	3.5
97.06590	3.7
98.19835	1.5
99.00878	16.1
109.06559	1.2
123.08176	2.3
125.09707	11.0
129.20685	0.9
153.12750	1.3
163.11264	12.2
179.45004	1.1
181.12338	26.6
191.05679	1.2
197.11792	1.4
199.13388	27.1
201.11264	1.3
207.08350	2.3
207.10231	26.8
208.10637	1.3
225.11307	71.0
226.11621	2.3
229.67001	1.2
243.12357	21.4
259.20496	1.3
277.21707	100.0
278.22021	5.5
299.15042	10.1
317.16031	25.3
329.32547	1.2
354.44604	1.2
423.28223	1.1
577.36688	70.9
578.37115	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	577.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
57.03424	1.5
57.30047	0.7
59.01365	2.0
69.03448	1.1
69.56949	5.4
71.01368	3.9
71.05008	6.2
75.79124	0.7
80.13956	0.7
80.51523	0.8
89.78384	0.7
97.02955	4.5
97.06577	3.0
98.19954	1.2
99.00873	17.9
110.03748	1.7
123.08123	2.4
125.09706	12.2
127.11298	1.4
130.03159	0.9
135.08191	1.1
142.02766	1.1
153.12869	1.0
153.64398	0.8
163.11278	10.6
163.67673	0.8
165.29343	0.8
181.12337	22.0
182.12628	1.5
197.11827	1.7
199.13385	37.0
207.10231	35.5
208.10544	1.3
208.51761	0.8
225.11307	88.6
226.11702	3.8
233.22798	1.0
236.14406	0.9
243.12341	20.6
277.21707	85.2
278.22009	4.3
299.14966	13.9
300.15424	1.3
317.16025	23.4
318.16241	1.4
351.09775	0.9
450.68488	0.8
577.37402	100.0
578.37689	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	577.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.9
59.75965	0.5
59.90309	0.4
61.09216	0.4
61.48387	0.4
63.96221	1.0
69.32411	3.6
69.32813	0.8
69.52866	0.5
69.53594	0.4
71.01378	6.7
73.02938	1.8
78.98586	5.9
79.95731	10.1
80.96514	68.2
81.03439	0.8
83.74029	0.5
85.02954	2.8
87.00875	2.1
94.98082	12.5
96.96031	1.1
97.02949	1.1
101.02443	2.8
106.98076	3.4
110.00658	0.4
122.97585	2.7
125.02438	2.6
127.04024	0.8
134.97586	4.7
136.99142	1.3
148.99126	5.0
152.98622	5.9
164.97324	0.9
164.98622	12.6
206.99620	1.5
225.00739	14.3
277.21609	1.8
279.23203	0.9
299.04395	3.0
401.64285	0.6
434.93243	0.5
504.30933	0.6
520.12122	0.5
577.26837	100.0
578.27197	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	577.359
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06165	1.9
57.51224	1.8
59.01377	12.3
61.98828	2.0
63.92371	1.6
71.01379	3.5
71.51917	1.7
71.52351	2.5
113.02363	1.8
139.85963	1.8
163.53702	2.0
201.11394	2.5
217.90530	1.7
223.16000	1.7
225.11133	2.2
253.09352	11.0
277.21719	4.6
281.24841	100.0
282.25226	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	577.229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57719	0.8
57.03423	1.4
59.01384	5.6
60.99311	5.9
61.81585	0.9
61.98832	31.4
65.03957	1.3
67.01888	13.9
69.03453	5.0
71.01385	4.3
71.52876	1.3
79.95734	1.4
80.96517	2.9
81.03439	3.0
83.05019	3.4
85.02932	1.4
87.00879	20.3
93.03458	100.0
94.03786	2.3
96.95983	0.8
97.02963	0.9
99.00880	1.7
99.04527	1.6
109.02940	1.3
111.04523	13.4
113.02462	1.6
117.03433	1.1
120.98384	0.8
124.01659	1.7
125.02423	1.4
129.01933	2.4
133.02951	2.1
134.03751	12.5
135.04521	19.0
137.02434	1.0
143.03557	1.0
144.80058	0.9
149.06030	1.0
151.03983	3.1
155.03456	3.5
161.02405	1.4
173.04546	64.4
174.04843	1.6
177.01901	1.0
178.02640	1.5
179.03535	4.5
191.05608	10.3
192.04224	1.5
239.68916	0.9
248.14134	1.1
300.02756	2.0
307.08151	1.7
308.08997	4.7
309.09192	1.0
315.05115	1.9
351.07132	4.3
352.07910	3.7
366.09363	1.4
385.16592	1.3
403.17688	2.0
426.22736	1.1
514.25281	0.9
577.22845	35.1
578.23206	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	577.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38280	0.6
57.03447	1.0
59.01371	3.4
60.99305	4.2
61.98830	32.3
65.03948	0.9
67.01888	13.3
69.03449	4.5
69.36517	0.6
69.63065	3.8
71.01388	4.6
71.04980	0.6
73.02965	0.8
78.95905	13.3
79.95721	0.8
80.96519	1.6
81.03455	2.4
83.05017	1.9
85.02954	1.9
87.00876	16.8
93.03458	100.0
94.03789	2.4
96.95987	0.7
96.96941	1.1
99.00883	1.4
99.04546	1.5
109.02962	1.5
111.04516	13.1
113.02419	1.2
115.04045	0.8
123.60947	0.6
129.01891	1.7
132.02185	0.8
133.02943	2.8
134.03763	9.5
135.04555	5.5
137.02420	1.8
143.03510	1.0
144.80847	0.6
151.04008	1.1
152.99576	2.3
155.03491	2.8
160.01653	1.7
171.00623	2.5
172.29283	0.6
173.04543	72.1
174.04880	3.0
177.01930	1.2
178.02716	1.5
179.03470	1.7
191.05615	16.0
192.04289	5.5
205.82388	0.7
299.02057	0.7
314.04144	0.7
351.07275	0.7
366.09576	1.9
385.16330	1.2
403.17560	2.2
480.24103	0.7
577.22827	28.0
578.22888	3.8
578.31018	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	577.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
61.26746	0.6
61.98831	9.0
63.96238	1.7
69.20267	6.0
71.01379	6.7
73.02946	2.0
78.95944	0.6
78.98592	6.5
79.95734	12.9
80.96519	82.2
81.03461	1.5
85.02956	2.5
87.00874	3.1
94.98087	17.9
96.96031	1.2
97.02962	1.6
101.02434	3.1
106.98073	3.8
113.02479	0.8
120.99661	0.7
122.97583	4.8
125.02444	2.9
134.97597	3.8
148.99129	6.9
152.98654	7.4
164.97325	1.4
164.98618	12.8
169.87587	0.6
182.99695	1.0
206.99663	1.9
222.91460	0.6
225.00725	16.1
241.34129	0.7
250.62137	0.5
277.21780	1.8
279.23361	3.4
299.04532	2.9
401.41855	0.7
491.47610	0.7
515.28583	0.6
577.26849	100.0
578.27222	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36747	0.6
57.03440	1.4
59.01381	7.5
60.99296	2.8
61.98830	23.1
67.00676	0.7
67.01889	9.0
67.74985	0.8
68.99555	1.0
69.03448	1.9
71.01379	4.1
71.53361	0.9
73.02969	0.8
78.95908	0.9
79.95736	0.8
80.96519	4.9
81.03465	1.7
83.05028	1.8
85.02942	7.6
87.00874	15.6
93.03456	70.7
94.03818	1.5
99.00878	1.3
99.04516	1.3
101.02465	1.3
108.16602	0.7
109.02947	1.4
111.00912	0.6
111.04520	8.4
112.98528	1.3
113.02430	1.4
121.02948	0.9
127.04039	2.0
129.01889	1.6
134.03667	1.0
135.04485	0.9
137.02417	1.3
152.99614	1.0
155.03491	3.0
159.04495	1.3
163.07625	1.6
165.01825	1.0
171.03012	0.7
172.05312	1.4
173.04550	39.7
173.05966	2.1
174.04895	1.2
176.08458	1.2
177.09233	1.5
186.06808	2.6
187.07608	4.9
191.05606	100.0
192.05954	1.9
200.04797	1.4
201.05597	2.2
201.09183	0.9
202.06284	1.2
203.07137	1.1
204.07983	1.6
211.07599	2.1
214.06398	3.1
215.07123	10.9
215.10875	0.7
215.72925	0.6
227.03424	0.9
229.08702	3.0
231.10088	1.0
233.06598	5.6
236.97862	0.7
255.06621	0.9
275.67520	0.6
290.11679	1.0
311.12799	1.2
350.13489	0.8
353.13983	1.1
385.16443	1.4
441.29852	0.7
480.16617	1.0
480.25201	0.9
495.26840	0.8
506.16971	0.8
533.29590	1.0
545.20258	12.0
546.20404	0.9
577.22998	17.1
578.23730	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	577.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01055	0.6
57.03440	2.8
59.01374	5.3
59.83546	0.7
60.99308	3.7
61.98832	1.2
67.01890	9.4
69.03452	3.1
69.58206	1.5
69.58614	3.7
71.01382	4.2
73.02937	0.9
80.96501	1.4
81.03442	1.8
83.05028	1.8
85.02953	7.3
87.00873	15.2
93.03458	63.3
94.03767	0.8
99.00872	1.7
99.04512	1.3
109.02952	1.0
111.04523	9.1
113.02415	1.2
123.31851	0.7
127.03970	1.5
129.01912	1.6
137.02464	1.8
141.00014	0.7
147.00381	0.8
147.04543	0.8
155.03511	2.2
156.57271	0.7
158.03748	0.8
159.04517	0.8
163.07700	1.3
173.04561	37.3
173.05986	2.0
174.04843	0.9
175.02071	0.7
176.08420	0.9
177.09114	1.3
182.03879	1.2
184.44287	0.8
186.06845	2.9
187.03909	1.1
187.07617	3.2
189.09225	1.3
191.05618	100.0
192.05965	2.9
192.32828	0.7
200.04822	1.6
201.05550	3.2
201.09177	1.3
202.06364	1.9
203.07059	1.0
211.07677	2.2
213.09125	0.7
214.06354	3.0
215.07123	6.8
215.10779	1.2
229.08710	3.2
230.09418	1.2
231.10335	1.3
233.06610	4.8
263.12860	0.8
277.10718	1.1
281.12100	6.2
288.10040	1.7
295.11804	5.7
307.11807	1.2
350.13654	0.9
371.15134	1.0
385.16467	3.0
392.07275	0.8
480.15988	1.0
480.25034	0.9
480.60516	0.9
545.20215	9.6
546.20319	0.8
577.22906	12.5
577.36438	0.9
578.24237	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	24.5
63.76120	0.6
66.37780	0.6
69.34943	2.6
69.35355	2.5
74.28138	0.7
78.95906	22.8
85.80456	0.6
109.53237	0.6
152.99554	3.5
168.04362	3.7
209.27664	0.7
224.06923	11.8
224.08963	1.3
233.22632	0.7
242.08037	3.1
277.21707	100.0
278.22028	7.1
301.43597	0.7
369.13922	0.7
461.10248	0.6
502.29401	73.3
503.29810	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	577.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40654	0.5
55.01881	0.5
57.00571	0.5
57.03446	1.1
59.01377	3.8
61.98843	1.6
69.03454	0.5
71.01387	3.2
71.01723	0.4
71.52578	0.5
72.99307	29.3
73.02945	1.0
85.02966	2.8
87.00854	0.8
89.02460	1.2
90.98605	0.8
93.03459	52.0
94.03817	1.1
96.96000	1.2
98.95592	0.5
99.00898	0.6
101.02466	1.3
102.98613	0.6
113.02458	5.3
117.03465	1.1
119.05029	100.0
120.05334	3.1
121.02952	1.7
131.03494	0.9
137.02446	55.6
138.02798	1.3
145.02951	4.5
153.38435	0.5
160.05299	0.6
161.06099	0.5
162.03227	1.3
163.04005	67.8
164.04381	1.9
165.02063	0.6
173.04549	0.5
175.07603	0.7
191.05620	4.7
192.05836	0.6
193.03502	1.8
197.11810	0.7
205.05043	0.6
239.90872	0.5
277.07196	2.9
307.08102	1.4
325.09213	1.1
328.09906	0.7
329.13913	1.8
337.09399	0.6
350.51013	0.5
402.87469	0.5
439.06494	1.0
439.12427	17.9
440.12634	1.6
457.13513	22.5
458.13596	1.9
533.17242	0.6
577.15265	25.4
578.15686	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	577.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	98.8
60.31003	1.0
61.98817	2.2
64.21405	1.1
66.63698	1.0
67.01885	1.3
69.61642	3.9
69.62054	2.8
71.01379	6.7
72.99339	1.1
73.02956	2.5
85.02956	5.0
87.00868	2.5
89.02436	3.2
93.03438	6.3
96.96001	9.5
98.20657	2.3
101.02434	3.7
102.98613	1.0
109.02882	1.3
111.04535	1.4
113.02471	3.1
120.99581	1.2
126.57490	1.1
135.04541	3.7
146.03711	1.6
161.04529	1.9
173.04521	3.5
179.03500	4.5
191.05612	30.2
209.34883	1.1
229.84302	1.3
235.07681	2.0
237.05490	1.3
251.06999	1.6
267.06506	7.8
279.06604	17.1
290.05783	1.2
291.06583	9.0
292.07248	3.1
294.08942	4.3
295.06097	22.1
305.08078	1.5
306.08896	9.0
307.06113	30.2
307.09570	1.3
308.06174	1.8
310.08441	22.9
311.08881	2.4
321.07721	3.2
322.08484	19.0
323.08755	1.8
324.09979	1.2
325.10785	59.6
326.11090	4.8
337.10797	100.0
338.11176	7.3
373.18579	4.2
385.16553	4.6
455.11737	1.5
517.29913	2.7
545.20093	1.6
577.13892	1.3
577.28271	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	576.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93787	0.5
54.09765	0.7
54.40921	0.5
56.04182	0.5
57.76870	0.6
61.98830	100.0
63.01715	0.6
71.00345	1.5
71.01385	2.3
78.98605	1.4
79.95716	2.9
80.96519	21.0
87.00884	1.0
94.98103	4.8
101.02477	0.9
106.98096	0.6
112.54095	0.6
124.01126	0.7
125.02454	1.0
134.97632	1.0
148.99176	1.9
152.98650	1.8
164.98604	2.9
206.99770	1.0
225.00691	3.0
277.21783	1.3
278.22260	0.7
299.04419	1.0
344.28427	0.6
391.01398	0.6
577.26898	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	576.302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11823	0.3
56.37233	0.3
60.30693	0.3
61.98829	100.0
65.44211	0.3
67.35248	0.3
69.78827	0.3
98.20670	0.9
115.02579	0.3
124.93270	0.3
222.46608	0.3
229.64920	0.4
272.39429	0.4
277.21802	0.5
278.22043	0.4
357.34167	0.4
399.72226	0.3
415.81635	0.4
423.84265	0.3
577.27057	0.5
590.76385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.7
61.98815	1.0
69.20230	2.3
71.01376	0.3
78.95899	7.2
83.84359	0.2
96.41108	0.2
98.20650	0.5
115.02082	0.2
127.07641	0.3
152.99588	1.9
168.04274	2.2
224.06947	1.3
233.22685	0.3
242.07983	3.1
244.23027	0.2
259.20572	0.6
275.20190	0.4
277.21701	100.0
278.22055	7.0
375.57397	0.2
502.29395	30.3
503.29813	2.9
599.18323	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13239	3.7
59.01373	13.0
59.24722	3.8
61.98825	77.1
63.21280	4.1
69.26856	36.7
89.02449	6.6
94.35986	3.6
96.96001	4.7
122.03738	7.5
122.64465	3.6
148.05264	6.5
149.06065	11.0
176.08418	100.0
177.08810	4.5
190.09981	4.5
191.05711	9.5
191.10762	62.7
200.43120	3.9
265.14423	94.1
266.14804	6.4
274.79678	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	576.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.2
61.98830	100.0
64.49792	0.3
65.62255	0.3
69.43977	1.2
69.44395	0.9
71.01375	0.6
79.95740	0.6
85.02985	0.4
87.00899	0.5
93.03471	0.9
96.96027	1.7
98.20623	0.6
102.93269	0.3
125.02464	0.5
134.66608	0.4
137.02481	0.4
146.05025	0.4
146.06125	2.9
147.03270	0.5
148.04045	2.4
148.07729	0.8
149.47049	0.3
160.04053	0.7
174.05588	2.6
190.05125	1.2
191.05588	2.1
192.06667	2.7
216.86340	0.3
218.04552	0.6
236.05646	13.9
237.06044	0.7
242.08063	0.3
256.80701	0.4
351.21796	0.6
352.22192	1.6
353.22488	1.4
354.22501	1.7
395.06857	0.5
396.07394	0.4
576.14984	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.2
61.98830	100.0
64.49792	0.3
65.62255	0.3
69.43977	1.2
69.44395	0.9
71.01375	0.6
79.95740	0.6
85.02985	0.4
87.00899	0.5
93.03471	0.9
96.96027	1.7
98.20623	0.6
102.93269	0.3
125.02464	0.5
134.66608	0.4
137.02481	0.4
146.05025	0.4
146.06125	2.9
147.03270	0.5
148.04045	2.4
148.07729	0.8
149.47049	0.3
160.04053	0.7
174.05588	2.6
190.05125	1.2
191.05588	2.1
192.06667	2.7
216.86340	0.3
218.04552	0.6
236.05646	13.9
237.06044	0.7
242.08063	0.3
256.80701	0.4
351.21796	0.6
352.22192	1.6
353.22488	1.4
354.22501	1.7
395.06857	0.5
396.07394	0.4
576.14984	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59420	0.5
52.36044	0.5
53.51099	0.5
55.01874	0.9
57.03441	0.8
58.00577	1.1
58.95810	0.5
59.01379	59.3
59.34919	0.5
61.98832	1.0
69.26161	1.8
69.26582	3.0
71.01379	16.5
72.99297	1.3
73.02949	3.2
83.01383	1.8
85.02955	5.1
87.00895	1.2
87.13221	0.6
88.98759	0.5
89.02446	12.1
93.03486	0.9
95.01377	1.6
96.96015	0.9
99.00879	1.5
101.02441	13.4
107.66410	0.5
111.08118	0.8
113.02450	6.9
115.07672	0.8
116.92847	1.5
119.03503	4.7
133.60011	0.5
137.09668	1.3
155.10782	5.4
157.08701	3.5
158.11871	2.0
161.04567	1.6
165.09157	0.6
179.05588	1.3
180.10356	0.8
191.05615	1.0
198.14964	1.1
200.12918	5.6
209.19136	1.5
239.99648	0.5
243.14793	0.6
246.97531	0.6
297.11758	0.8
299.24554	0.5
320.17105	1.5
334.23862	0.8
362.18176	3.3
422.20160	0.7
497.50931	0.6
534.47485	0.6
556.31305	5.2
557.31372	0.7
574.32281	100.0
575.32660	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	574.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94862	0.6
55.01886	0.9
55.85135	0.5
56.22336	0.4
57.03446	0.9
58.00591	1.2
59.01379	68.8
61.98833	1.0
69.38522	2.0
69.38950	1.7
71.01380	20.6
72.99306	1.4
73.02940	3.0
83.01379	2.6
85.02945	6.3
87.00877	0.7
89.02437	17.3
95.01408	1.8
98.19884	0.6
99.00886	1.3
101.02439	13.6
112.70858	0.6
113.02440	7.4
115.07629	0.6
119.03484	5.0
119.04234	0.6
121.84528	0.5
129.01939	0.6
137.09724	0.9
143.03554	0.8
155.10770	8.4
157.08694	4.6
159.03029	0.9
161.04538	1.9
169.12236	0.7
179.05542	0.8
180.10278	0.7
194.15504	0.7
198.11427	0.8
198.15012	2.1
198.65712	0.5
200.12904	8.5
209.19057	2.3
211.17194	0.5
222.41064	0.5
242.14096	0.5
256.51392	0.5
334.23688	0.8
362.18225	5.0
363.18979	0.6
422.20419	1.9
476.25015	0.9
514.30023	0.7
556.31189	4.7
557.31665	0.6
574.32288	100.0
575.32532	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	575.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
57.57282	0.8
59.01376	12.5
61.98830	67.7
69.03454	3.9
70.38685	3.1
71.01389	1.7
71.71529	0.9
73.02935	1.1
80.96516	3.4
81.03473	1.5
83.05045	1.8
101.02411	1.4
107.05043	2.1
107.08666	1.6
121.06577	0.9
123.27829	0.8
130.10997	1.0
130.12129	0.9
133.10263	1.7
134.03719	1.0
135.08154	1.2
137.06052	1.1
143.08707	1.0
147.08264	1.0
149.06102	3.1
151.07639	8.2
151.61664	1.0
154.00960	16.5
161.06041	1.2
171.11777	5.2
173.04523	2.0
173.09726	3.8
175.07729	1.8
177.09242	1.2
179.01646	1.1
180.02472	2.9
181.03252	2.7
182.04047	2.2
183.04811	1.3
187.07643	1.1
187.11264	3.9
189.09183	1.0
189.12845	27.0
190.13359	1.0
191.05544	2.0
193.03413	1.1
194.04013	3.5
209.06425	14.1
215.10785	3.6
221.06334	1.4
231.10159	1.9
233.11797	9.3
277.10788	100.0
278.11096	5.7
279.10684	2.8
297.11630	96.2
298.12106	8.0
299.13211	17.4
309.07953	1.1
327.25351	1.1
540.50183	1.0
575.22693	3.3
575.34393	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	574.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42475	0.3
59.01376	0.9
60.27178	0.3
61.98831	100.0
63.99302	0.4
70.72379	0.7
72.67800	0.3
72.68247	0.3
80.96523	0.7
83.05041	0.6
98.20580	0.3
99.04561	0.3
111.92460	0.3
134.03778	0.5
149.06102	1.1
149.57146	0.3
151.07640	0.5
154.00980	1.0
168.05370	0.3
171.11780	0.5
174.06815	1.0
177.09174	0.4
187.11325	0.4
189.09270	1.3
189.12878	1.7
191.05641	0.5
209.06538	0.8
233.11873	1.2
245.28027	0.3
263.12872	3.9
277.10806	7.2
287.80115	0.3
297.11691	6.5
299.13397	0.5
374.53336	0.4
469.35571	0.4
511.26843	0.4
574.33344	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80042	0.4
55.01859	0.9
57.03438	1.0
58.00592	0.8
59.01380	59.6
59.59356	0.4
60.01716	0.5
61.98841	2.9
69.68668	2.7
71.01380	18.5
72.18240	0.5
72.99313	1.2
73.02950	3.0
83.01395	2.0
84.04559	0.7
85.02950	6.3
87.00873	1.3
88.98781	0.6
89.02445	14.9
90.31387	0.4
93.03461	0.7
95.01398	1.6
98.19918	0.4
99.00884	1.0
101.02441	13.8
113.02457	6.8
119.03500	4.9
120.99643	0.6
127.11313	0.6
137.09747	1.2
139.07616	0.7
143.03421	0.8
147.04443	0.6
155.10774	8.8
157.08708	3.9
159.03032	0.7
161.04568	1.7
164.07172	0.9
173.04654	0.6
179.05626	1.3
180.10320	1.1
182.11867	0.5
191.05580	1.1
194.15515	0.6
196.13303	0.7
198.11330	0.8
198.14970	1.7
199.09740	0.5
200.12906	8.5
209.19122	1.2
220.17519	0.4
308.64526	0.4
345.19308	0.5
360.20154	0.5
362.18121	4.9
404.19067	0.8
422.20276	1.0
476.24936	0.7
514.30206	0.5
556.31329	5.6
557.32208	0.6
574.32300	100.0
575.24597	0.4
575.32635	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	573.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97869	16.0
59.01363	26.9
61.98827	18.6
69.83831	98.8
71.01379	30.3
96.96017	45.3
101.02448	18.7
149.02458	34.5
150.03239	42.7
151.07486	19.0
195.06557	19.9
195.51825	18.8
198.41002	16.1
198.74521	19.1
217.12239	22.4
327.12445	100.0
345.13461	23.3
375.14441	47.4
388.24734	20.0
421.36356	17.9
499.64569	16.6
573.18445	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12212	0.4
52.18690	0.4
57.82973	0.4
58.99603	17.1
59.01377	5.1
69.30141	3.8
71.01384	1.6
72.99307	1.4
73.02959	0.7
74.41134	0.4
74.99086	3.0
75.00854	1.8
76.52244	0.4
79.95739	0.4
80.96549	0.4
85.02936	1.0
96.96003	1.9
99.04514	5.6
101.02448	0.7
102.34597	0.4
102.98595	100.0
103.98959	1.0
108.99843	0.5
109.02991	0.6
111.04542	0.5
120.99657	7.1
136.12723	0.5
163.00705	8.5
173.04597	0.8
191.05627	1.5
195.05081	1.9
216.80786	0.5
275.04150	0.6
321.13263	0.8
351.21744	2.1
529.21063	2.0
529.27551	1.2
573.21423	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.3
66.38696	0.3
69.51619	0.9
69.52028	1.1
71.01379	0.9
76.57185	0.3
89.02434	0.5
90.53992	0.4
98.20646	0.4
99.04481	0.4
101.02460	0.6
113.02420	0.5
119.03474	0.6
120.28756	0.3
122.03751	0.4
179.07140	0.4
195.06400	0.4
251.27754	0.3
312.44852	0.3
351.21741	100.0
352.22104	7.5
365.23279	0.8
375.14676	0.4
441.17712	0.5
513.27271	0.8
524.61481	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64088	0.3
59.01379	15.5
65.66805	0.3
66.38219	0.2
66.42740	0.2
69.50314	0.9
69.50749	1.0
71.01379	1.1
76.66965	0.3
81.34645	0.3
85.02921	0.3
89.02425	0.8
99.04514	0.9
101.02428	1.0
113.02424	0.6
119.03503	0.8
122.03747	0.5
135.04547	0.3
149.06122	0.7
150.06810	1.0
151.07619	1.0
178.06361	1.3
179.07147	1.6
205.73642	0.3
217.12360	1.8
275.20047	0.4
277.81989	0.2
285.18579	0.3
351.21747	100.0
352.09341	0.3
352.22134	7.0
365.23340	1.3
393.22906	0.9
411.20309	0.3
429.21198	0.4
441.17664	1.7
513.27039	1.0
573.21893	2.4
573.28809	0.3
581.77838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63878	0.2
55.25721	0.2
57.81312	0.2
59.01366	1.1
61.98829	100.0
71.01344	0.8
78.95887	0.3
80.96523	0.7
83.05007	0.3
91.69600	0.2
93.03490	0.7
93.76800	0.2
98.18378	0.2
99.04527	0.3
103.00346	0.2
111.04571	0.2
111.24014	0.2
113.12856	0.2
120.14592	0.2
121.03043	0.2
122.03770	0.4
135.04553	0.5
147.04575	0.3
149.06105	1.1
153.89436	0.2
154.38780	0.2
159.04546	0.7
162.06827	0.4
171.08185	0.4
172.05301	0.2
173.04636	0.3
173.06030	0.3
174.06877	2.2
177.09254	0.5
181.03470	0.3
189.09319	0.7
191.05627	0.6
203.07164	0.3
233.11957	0.4
247.13399	4.7
248.13815	0.4
261.11435	0.4
263.12881	1.4
264.13507	0.4
277.10858	0.5
277.91940	0.2
278.11157	0.3
279.10657	0.2
353.94165	0.2
449.06290	0.2
511.27719	0.3
544.10364	0.3
575.35138	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	6.1
59.01368	16.7
61.98828	100.0
69.19759	42.8
72.00902	8.3
74.02450	7.6
76.44154	3.9
78.95884	3.8
81.03460	4.7
83.05012	5.2
96.62939	4.4
98.20607	8.6
104.03544	50.0
105.03867	5.4
125.02444	18.9
137.09724	9.9
149.06084	4.8
163.04042	5.6
164.04384	4.5
165.01906	4.4
172.42168	3.9
179.45743	4.1
207.17474	11.5
231.90105	4.0
248.14047	4.7
251.16444	20.6
319.22757	64.7
511.29199	7.1
571.30823	5.8
594.95740	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	572.344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82553	3.9
61.98832	100.0
70.78783	11.7
77.83988	4.0
103.03130	4.7
117.53616	4.3
136.59543	3.9
222.08459	4.6
240.65472	4.4
242.64214	4.9
281.97034	4.1
396.09937	4.3
515.01971	4.1
563.73230	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	573.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.3
58.82974	4.7
59.01371	10.7
60.30510	4.1
61.98822	14.4
63.99699	3.8
69.16941	32.0
69.17370	11.6
71.01381	5.8
73.02982	4.5
78.01934	4.8
83.01386	7.3
84.73731	3.9
89.02466	6.3
93.03429	10.3
96.96001	12.4
99.04501	5.5
101.02451	46.6
109.02943	7.3
122.03774	5.5
127.00436	5.2
136.01634	10.3
145.01489	8.9
149.77115	4.3
151.03960	13.8
167.03406	5.3
168.05511	4.7
173.04437	4.6
179.07214	5.3
191.05547	6.5
191.10757	4.8
193.46097	4.0
242.26186	4.7
267.06564	19.1
282.08896	16.6
297.11343	63.0
327.12378	29.0
345.13464	41.9
351.21725	14.4
357.13406	15.7
375.14462	100.0
376.14740	9.1
491.43640	4.4
537.19849	7.0
573.13715	6.0
573.21954	39.8
574.22235	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.6
61.98838	2.6
63.84785	1.2
67.01883	1.2
69.65067	8.0
70.85246	1.1
71.01374	2.8
73.02937	2.4
75.00877	1.4
75.06553	1.1
85.02956	2.8
88.94375	1.2
89.22940	1.2
90.40463	1.3
92.95216	1.3
93.03445	4.8
96.96045	6.8
98.19940	1.7
99.92565	2.2
101.02413	1.8
102.98583	1.3
108.02169	11.8
109.02950	1.5
113.02407	1.5
116.92836	5.8
120.99639	1.8
121.02947	8.7
122.03045	1.3
122.03749	14.5
123.04487	4.2
125.03526	1.5
127.07652	3.7
133.02948	1.8
135.04517	3.4
137.83907	1.4
145.02913	1.7
146.03734	64.0
147.04448	4.5
149.02435	55.6
149.03633	3.2
150.03227	96.1
151.03676	1.5
152.01134	13.7
154.00995	1.4
154.17813	1.2
161.04810	1.9
161.06091	21.2
162.03261	3.8
163.03978	3.1
164.04788	61.2
165.05562	100.0
166.05899	2.7
175.03967	4.3
177.05457	3.1
179.07130	95.2
180.04225	6.7
180.07436	2.9
191.05618	3.4
195.06624	73.9
196.06996	2.7
209.05528	1.6
225.05238	2.5
232.08153	1.3
250.17757	1.3
252.15576	1.2
253.04771	7.7
267.06671	2.0
267.15909	1.5
270.08911	1.5
271.05710	7.5
299.13272	6.1
312.09912	4.8
313.10730	5.1
327.12375	23.0
328.12683	2.4
343.11862	47.5
344.12213	3.4
375.14670	1.4
391.13812	4.5
523.19739	19.4
524.19440	2.1
571.16333	12.1
571.24249	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2887
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
69.30722	0.5
69.31342	3.9
69.43104	0.5
78.23595	0.5
78.95905	66.3
96.96959	13.6
125.80616	0.5
152.99585	54.9
153.99904	0.6
171.00595	0.7
223.00168	2.2
241.01184	31.2
255.23294	71.3
256.23697	4.0
259.02228	0.6
315.04868	9.5
391.22556	6.3
392.22806	0.6
462.40201	0.6
571.28876	100.0
572.29242	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	571.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35355	1.0
59.01387	1.3
59.99327	0.8
69.71221	0.8
69.75461	0.8
70.68680	0.9
71.10207	1.9
72.78464	0.8
86.05652	1.0
93.03451	1.8
96.96011	13.1
121.02941	1.5
122.03731	7.1
123.04537	1.2
138.50635	0.9
149.02451	9.6
150.03226	62.7
151.03654	2.8
164.04759	2.4
165.05565	100.0
166.05899	3.3
180.04262	4.3
195.06622	42.6
196.06970	1.5
213.07704	4.1
216.76636	1.0
237.95822	1.1
286.08539	2.4
301.10986	2.0
343.00555	1.2
361.12946	4.0
409.14987	20.6
410.15030	2.4
426.69043	1.0
439.21188	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.1
69.56212	3.2
69.56618	10.2
79.29900	2.0
87.00885	1.9
93.03467	3.6
96.96019	16.4
103.49895	2.2
105.70004	2.1
106.60008	2.2
121.02965	2.9
122.03737	5.3
146.01587	1.9
149.02419	18.5
150.03229	56.5
151.03989	2.5
153.44417	1.9
164.04753	6.2
165.05556	100.0
166.05888	2.8
172.35892	1.8
172.95639	2.0
191.01915	3.3
195.06630	28.9
196.06940	1.9
213.07649	5.2
218.17038	2.3
286.08664	3.7
301.10791	8.7
361.12885	24.1
409.14999	34.2
409.20004	3.8
540.58179	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	570.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73104	2.2
59.01369	6.7
61.98831	100.0
66.24018	2.5
69.98888	5.2
69.99283	4.9
70.46001	2.3
75.53653	2.1
93.52431	2.4
145.13017	2.3
145.44031	2.1
147.11859	2.5
263.20831	2.9
429.57419	2.7
507.33557	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	571.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06904	0.6
58.99604	17.5
59.01372	4.7
61.98824	2.8
64.11835	0.7
69.62072	3.8
74.99094	2.1
96.96023	1.0
98.19899	1.1
99.04524	1.9
102.98595	100.0
103.98992	0.9
110.29610	0.5
116.65059	0.6
120.99658	6.4
121.02994	0.8
123.58051	0.7
163.00714	7.3
191.05617	1.0
216.85112	0.6
247.13356	0.8
280.11627	0.8
284.81305	0.6
443.17435	1.4
527.19733	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	571.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99599	21.3
59.01386	19.1
61.98819	3.9
71.29368	4.0
74.99081	2.6
89.02450	2.9
99.04498	6.9
101.02480	2.2
102.98595	100.0
120.99653	5.2
149.04584	2.2
159.02988	2.1
163.00696	4.5
173.04532	2.5
191.05623	5.0
367.21329	3.2
407.18054	2.3
436.87375	2.4
467.41046	2.6
564.97681	2.6
571.27643	3.1
583.43195	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	570.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.0
60.01701	0.8
61.98829	100.0
62.39977	0.2
63.05221	0.2
63.13589	0.2
70.30582	0.8
138.26190	0.2
138.85599	0.2
164.69194	0.2
176.90416	0.2
255.91194	0.2
271.29611	0.2
306.61459	0.2
348.66754	0.2
362.48120	0.2
577.84033	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36586	0.6
54.24767	0.5
58.02970	5.4
59.01370	2.5
61.98813	0.6
64.87363	0.7
66.03469	0.9
70.86204	0.5
71.01378	0.7
72.00900	0.6
74.02474	15.1
75.30602	0.5
79.93710	0.5
80.03831	0.6
82.02991	1.2
85.02930	0.7
86.02491	5.5
87.05642	1.9
93.03465	1.0
96.96020	4.6
97.04089	1.4
99.05640	11.6
101.07200	2.1
102.05602	2.0
109.02979	0.7
109.04071	0.9
111.05619	1.4
112.04045	1.5
123.05643	1.4
125.03569	1.1
128.03537	38.9
135.05637	2.2
137.02512	0.8
137.07254	0.9
141.06677	1.7
143.04617	53.0
144.04927	0.7
145.06158	1.3
146.04588	5.1
148.05263	0.9
149.06073	1.0
150.03149	1.0
153.00169	0.9
153.06671	1.6
154.00928	2.9
165.05579	1.5
166.09830	2.1
167.01720	1.4
167.04585	1.8
167.08208	0.8
171.10266	0.6
172.09016	0.7
173.04555	0.6
179.04610	8.5
181.03275	4.9
181.06221	1.3
182.04060	9.4
184.10817	0.6
185.05676	1.6
188.11913	0.7
189.09236	2.0
191.05598	1.8
192.07771	1.1
195.06625	1.4
197.05693	1.4
205.06915	2.6
207.04977	0.8
210.08800	11.3
214.03049	1.8
221.06297	0.7
222.07233	1.6
223.07959	2.4
228.09898	1.1
254.07819	18.2
255.07730	0.9
267.10626	2.0
272.08875	100.0
273.09164	3.9
279.10583	0.8
297.11655	43.9
298.11880	3.3
306.07770	1.8
331.59039	0.6
349.20181	3.4
444.22000	0.6
570.21460	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	569.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99606	13.3
59.01371	8.4
61.98822	5.1
71.52907	2.4
71.99483	1.3
72.90736	1.4
74.99085	1.9
84.84035	1.1
85.02968	1.4
96.96004	1.3
99.04520	23.2
102.98595	100.0
107.52109	1.3
119.08709	1.3
120.99661	9.4
142.36447	1.3
163.00684	8.4
199.74818	1.5
205.12321	1.9
233.41077	1.4
249.11220	3.3
483.16690	2.6
525.18170	7.5
569.19476	2.1
569.29694	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	569.1904
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
57.03412	0.7
59.01378	3.7
63.96238	0.9
64.27634	0.5
69.03450	0.6
69.27752	4.4
71.01377	4.9
73.02934	1.4
78.98589	5.5
79.95734	10.5
80.96513	54.6
81.03442	0.7
84.08882	0.4
85.02943	2.2
87.00875	2.6
94.98080	12.9
96.96002	3.0
97.02931	1.2
98.19929	0.9
98.34193	0.5
101.02438	1.6
106.98087	2.4
122.97605	3.1
125.02449	2.5
126.35125	0.5
134.97559	3.8
136.99110	1.2
146.97430	0.4
148.99130	5.2
152.98598	3.7
162.03229	6.6
164.98616	12.1
177.05540	6.9
191.05540	1.3
206.99678	2.1
207.13916	0.9
209.11784	0.6
225.00728	18.5
225.02953	0.9
225.07547	0.5
226.01085	0.5
269.13937	0.6
271.05518	0.6
299.04361	3.6
317.05389	3.7
343.17444	0.7
414.80591	0.5
443.37991	0.5
507.18945	2.0
509.16901	2.9
569.19055	100.0
570.19391	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98826	16.1
68.23638	0.5
69.20065	4.3
70.70335	0.5
71.01382	1.1
71.20214	0.4
72.48952	0.6
78.95900	6.0
85.02940	0.5
93.03445	0.6
96.96980	0.7
109.02973	1.6
109.06598	0.9
109.71219	0.4
112.39455	0.5
125.09680	0.5
132.02269	0.6
134.03758	0.6
147.04539	0.9
152.99593	5.0
159.04509	1.0
171.00659	1.1
171.10260	8.6
173.04680	0.7
176.18365	0.4
191.05649	0.9
198.61432	0.4
199.09875	1.0
207.10210	1.1
209.11842	2.5
225.11351	0.9
227.03299	0.8
245.04424	0.7
267.06750	0.7
268.07443	0.6
295.23093	0.6
303.05026	0.8
365.14120	0.6
365.23517	0.6
389.24588	0.5
399.14160	2.4
455.16510	0.6
509.31207	0.8
520.30341	0.5
551.19775	0.6
569.20654	3.6
569.31628	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	2.0
59.01381	19.3
61.81170	0.9
61.98817	3.4
71.01379	24.1
71.52419	1.1
72.99290	1.2
78.95906	3.6
85.02930	1.7
89.02440	34.8
93.03457	1.6
101.02436	7.4
113.02439	5.3
119.03495	4.6
131.03496	1.9
131.16060	0.8
134.84251	0.9
143.03506	2.0
152.99557	2.6
156.97711	0.8
161.04559	3.3
173.04660	0.9
179.05617	11.9
190.85980	0.8
244.89395	1.0
255.23238	7.2
265.76447	1.0
387.25391	100.0
388.25635	8.4
483.27463	7.0
517.82172	1.0
558.24860	1.3
567.36371	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39009	1.2
57.03454	2.5
58.99604	13.7
59.01376	7.6
66.91312	1.1
68.22253	1.2
69.03449	1.5
71.01386	4.9
71.52466	1.3
72.99301	4.5
73.02940	1.5
74.99095	1.2
77.22648	1.1
79.05540	1.1
81.02948	1.4
81.03426	3.0
85.02975	1.3
87.00887	2.5
91.05553	1.8
95.05013	1.6
96.96016	1.3
97.02967	1.1
99.04523	44.7
101.02458	2.2
102.98598	100.0
109.02936	2.2
111.04551	1.6
113.02430	1.7
115.00351	2.2
117.01952	3.4
120.99670	8.4
121.06561	1.7
123.04518	12.7
125.02466	2.9
129.01921	1.9
135.04578	1.5
139.04024	2.6
141.05786	1.4
145.01405	2.3
147.96082	1.2
151.04030	3.2
163.00716	4.6
163.07408	1.5
165.05559	4.5
174.88954	4.1
191.05544	2.6
199.07658	1.7
213.09172	1.9
227.10730	1.4
247.09741	2.0
255.10246	1.5
261.11127	1.7
273.11285	3.5
277.10782	1.7
305.10291	4.5
317.10242	5.0
347.11234	4.8
363.10626	2.3
393.11972	1.7
493.17242	3.0
536.82135	1.5
569.18555	19.3
570.18665	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85852	1.2
58.99602	16.6
59.01380	8.4
61.98823	3.9
63.59768	1.3
68.99568	1.3
69.55618	3.0
69.56033	6.0
70.43282	1.3
71.01385	2.1
72.99309	2.9
73.02912	1.2
75.00871	2.6
85.61943	1.3
89.80006	1.2
95.44569	1.3
96.96006	5.9
99.04520	36.5
102.98596	100.0
120.99634	9.4
123.04549	2.6
145.52057	1.3
163.00740	9.4
249.11310	6.7
346.79526	1.3
483.16525	1.6
517.49573	1.5
525.18042	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.0
61.98828	7.3
71.01376	0.8
71.52966	0.4
71.53331	0.4
83.67229	0.4
96.96010	1.4
97.06584	0.3
98.95590	0.9
99.00853	0.6
99.92583	14.8
100.92668	0.8
100.93378	1.4
103.00319	0.3
115.92078	26.7
116.92860	100.0
117.92900	4.1
122.73481	0.4
132.92279	0.4
140.92874	0.5
141.93626	0.8
142.94409	1.1
147.04489	0.4
149.06126	0.4
156.92389	0.6
158.93936	0.4
166.92305	0.4
174.93384	0.6
183.94592	0.5
184.91777	2.1
188.96620	0.4
277.70486	0.4
345.96115	0.4
445.13000	0.7
446.12851	0.4
463.14420	2.6
464.14532	0.6
479.95438	0.4
481.15265	2.9
482.15646	0.4
505.15387	1.4
523.16388	6.3
531.13184	1.2
567.15387	22.5
568.15643	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	567.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	79.9
61.98829	25.0
62.66974	5.3
69.32314	48.5
71.88726	5.9
72.99306	21.3
73.02961	9.6
73.36324	5.1
80.99902	6.5
93.03494	8.1
95.05020	5.0
99.04516	100.0
103.68539	5.2
105.00338	5.2
107.04998	6.7
109.06564	5.3
123.04548	6.5
123.22655	5.1
133.06577	7.0
147.04552	10.0
149.06114	8.2
151.04019	6.5
161.06154	8.1
175.07607	5.5
187.11285	5.8
189.09164	5.3
201.09238	5.4
211.11308	8.1
213.09224	13.8
213.12723	5.8
229.08607	5.8
229.12251	6.7
231.10277	5.9
255.10222	6.2
259.06036	6.0
259.13348	14.6
263.12836	7.7
273.11218	19.2
287.12939	9.2
305.13712	7.8
317.10287	8.9
331.11819	7.5
349.12854	65.3
355.71371	5.5
379.13998	77.1
507.18698	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
57.03441	3.0
58.00611	1.1
59.01379	42.0
60.36018	0.9
61.98830	2.5
69.82610	1.5
69.83008	4.9
71.01375	8.9
73.02949	11.4
79.07119	0.9
83.01385	10.9
85.02956	3.3
87.00839	1.2
87.04507	1.9
97.02959	1.7
99.00911	1.1
99.04499	1.1
101.02435	6.7
109.06647	1.0
113.02451	1.9
115.29422	0.9
115.92072	3.7
116.92885	2.2
119.16089	0.8
123.04533	1.1
125.02421	1.0
135.04518	19.6
137.06104	3.4
139.07643	1.9
139.11288	12.4
139.12978	0.9
145.03008	2.3
146.03734	67.5
147.04527	2.5
151.11253	1.0
154.99873	1.3
161.06056	19.7
163.04021	2.6
164.04790	41.6
165.05551	4.8
165.09206	1.6
169.12338	4.1
177.01950	1.8
179.07132	100.0
179.10634	2.8
180.07507	2.7
181.12325	5.6
181.85472	1.0
183.10265	20.1
184.10670	1.4
191.05679	4.6
197.11829	3.3
199.13406	2.1
205.91150	1.0
218.70821	1.2
225.11319	25.0
231.10303	1.4
239.12761	1.0
243.12389	20.5
249.11296	3.3
267.12387	2.6
285.13486	2.8
291.12244	4.6
296.18997	1.1
309.13553	2.2
327.14438	5.7
387.16568	12.5
491.65921	1.4
506.34512	1.8
507.34454	2.4
524.35620	1.3
567.24561	40.0
568.24823	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	566.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84781	0.9
55.98860	1.0
59.01378	70.9
61.98829	100.0
62.62286	0.8
63.73264	0.8
69.32579	2.1
69.32980	5.8
71.01368	7.8
71.73566	0.9
73.02949	2.8
76.17625	0.8
83.01424	0.9
85.02947	2.9
87.04533	0.9
89.02445	3.8
89.87093	0.9
93.03455	1.3
96.96020	1.3
98.20644	1.8
99.00873	1.8
101.02440	6.6
113.02449	3.0
116.20386	0.9
116.92837	1.0
119.03458	1.3
127.35287	0.9
161.04599	1.8
181.17482	0.9
227.16472	1.1
329.20081	0.9
399.23770	12.5
417.24979	11.6
434.24594	2.9
459.25906	4.1
566.29053	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	566.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82689	1.1
55.01889	1.4
57.03456	1.5
57.62629	1.0
59.01379	68.5
60.01722	1.1
61.98829	100.0
71.01382	10.7
71.51950	1.0
71.52341	1.6
73.02944	4.9
83.01384	3.5
85.02943	5.7
89.02443	3.1
93.03468	1.9
95.01393	1.6
96.96022	2.7
99.00900	1.4
101.02445	8.7
111.00888	1.5
113.02441	5.0
113.56236	1.2
115.92090	1.9
119.03510	1.7
128.44273	1.1
135.03503	1.8
135.04529	37.5
135.05530	2.7
137.02429	3.2
139.11299	1.8
153.01903	1.2
161.04599	2.6
174.13927	1.1
177.01900	1.9
179.03506	30.3
179.07039	1.9
183.10249	2.8
225.11247	2.6
231.10284	1.3
243.12491	1.9
258.54428	1.2
361.29852	1.9
383.22873	1.2
387.16534	3.4
399.23904	18.5
417.25003	9.4
459.25800	2.5
505.33392	8.4
506.34140	22.1
523.34625	2.4
524.35248	4.9
567.21240	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	566.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55083	0.7
61.98829	100.0
69.49104	0.9
70.99908	1.1
78.95901	12.5
94.26167	0.8
96.96008	0.9
102.05578	0.8
111.42403	0.8
137.02385	1.3
152.99571	14.1
162.93732	0.9
165.01917	1.5
171.00626	2.3
191.05557	3.2
196.03740	1.0
223.87369	0.8
227.03468	0.7
245.04286	8.8
245.31471	0.7
253.21657	6.2
255.23279	16.4
266.36584	0.8
281.24921	4.1
445.29605	1.6
481.25659	19.2
482.25922	1.7
506.32425	3.3
566.23431	3.2
566.34570	6.3
567.36145	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	567.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.5
59.01379	1.4
69.03429	0.5
71.01375	2.8
72.99316	1.2
85.02950	2.0
89.02428	0.6
93.03458	16.1
95.01392	0.8
98.20661	1.2
99.00870	0.7
101.02378	1.0
108.02172	51.0
109.02972	12.3
113.02454	1.9
119.05007	0.6
121.02950	0.7
123.00848	0.7
134.03700	0.5
137.02441	23.3
138.02788	0.7
152.01147	100.0
153.01950	4.1
161.04555	0.9
163.04021	3.1
177.01924	0.9
179.03479	1.0
191.03142	0.6
207.02927	0.6
297.06293	0.7
300.87750	0.5
315.07220	1.1
429.10370	18.8
430.10593	1.0
447.11417	18.1
448.11572	1.5
567.13495	79.8
568.13873	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
59.01379	3.3
61.98818	1.2
66.43403	0.7
71.01375	4.1
71.51990	0.8
71.52357	0.7
72.99298	1.3
73.02930	1.3
83.01358	0.9
85.02949	3.2
87.00900	0.8
89.02447	1.7
93.03455	17.8
95.01391	1.0
96.96017	1.5
99.00883	1.1
101.02416	1.2
108.02171	51.6
109.02963	13.2
112.58646	0.8
113.02446	1.5
135.04529	1.9
137.02440	25.0
142.62001	0.8
151.04048	1.2
152.01146	100.0
153.01949	7.7
161.04575	0.7
163.04060	3.7
165.01968	0.7
177.01974	0.7
179.03432	0.7
191.05632	2.7
195.06580	0.8
207.02989	0.8
306.29813	0.7
338.79575	0.7
357.13345	3.1
377.85675	0.7
405.17557	0.8
406.54718	0.7
429.04941	1.2
429.10373	18.3
430.10410	1.6
442.06467	0.7
447.11392	19.1
448.11777	1.3
567.13446	80.8
568.14001	7.3
573.88257	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90351	1.2
57.03454	1.1
59.01378	100.0
61.98829	1.3
69.13873	5.5
69.14294	5.3
73.31210	0.9
78.95909	1.4
97.06577	1.6
98.19952	2.9
98.85894	1.0
127.11223	1.1
151.11264	7.8
169.12335	52.3
171.10263	51.6
172.10609	2.5
213.11333	3.8
231.12331	9.2
269.13828	1.3
277.21713	44.4
278.22052	2.4
285.72202	1.0
287.14966	14.3
305.16049	18.4
327.24786	0.9
547.36572	2.4
565.37396	59.2
566.37781	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	565.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98077	1.9
52.17462	2.1
59.01373	11.9
60.49647	2.0
61.98833	30.6
69.34497	1.8
71.01397	4.9
71.04428	2.9
71.16155	4.4
73.02930	2.2
81.31886	2.2
85.02994	2.9
85.09283	1.9
96.96002	5.9
101.57341	2.1
119.05020	6.0
160.99306	2.3
175.07684	2.5
248.14082	3.4
269.41537	2.3
286.17297	2.6
297.07690	2.4
299.20319	10.9
301.02078	2.0
317.21191	100.0
318.21542	7.4
339.50604	2.3
382.82733	2.4
392.53873	2.2
461.10599	2.4
461.25464	8.0
521.20624	2.4
521.27417	14.1
522.27765	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	565.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	33.3
61.98835	14.6
69.14809	10.9
69.15211	45.1
69.73110	5.1
70.13412	4.6
71.01392	10.8
71.35880	4.9
73.02953	18.9
83.01418	5.7
87.00874	5.3
101.02449	13.4
113.63904	5.3
119.05019	17.5
122.03765	7.7
224.38310	5.1
250.96402	5.5
267.15808	7.2
297.07657	8.8
299.09171	14.2
299.20166	60.5
403.24933	10.3
438.50589	5.3
479.26370	5.5
521.27582	100.0
522.27283	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	565.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	14.0
61.98823	6.5
69.95431	21.2
71.01366	6.3
73.02938	10.1
80.59790	4.5
84.95964	4.2
98.20540	7.0
101.02452	6.5
115.50712	4.2
134.54369	5.0
140.56496	4.6
170.82695	4.5
219.23917	4.8
268.22552	4.6
299.20236	40.0
317.21127	5.1
521.27472	100.0
522.27948	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	565.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72271	2.5
53.85123	2.6
59.01365	5.2
60.32296	2.3
61.98825	22.0
65.30678	2.5
70.31213	2.5
71.01375	3.0
96.96006	5.2
99.04459	2.7
100.84553	2.8
143.86354	3.2
149.06007	4.3
214.29932	2.9
232.13036	3.3
242.58568	3.5
317.17535	6.3
317.21161	100.0
317.24863	5.9
318.21484	7.0
420.25369	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	565.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.8
57.03452	3.4
58.00591	1.0
59.01380	92.5
60.01733	0.6
61.98853	0.3
62.67529	0.3
67.01891	0.4
69.03456	0.7
71.01382	28.9
72.01704	0.3
72.99316	0.7
73.02950	7.1
73.47141	0.3
75.00869	0.3
80.86923	0.3
83.01391	3.9
84.02203	0.7
85.02953	15.7
86.00129	0.8
87.00883	1.6
87.04527	1.0
89.02442	8.7
95.01391	4.0
97.02962	1.2
99.00876	3.2
101.02446	13.8
111.00892	1.1
112.01679	0.7
113.02454	19.0
114.02765	0.3
115.04023	0.3
119.03516	2.8
123.08145	0.7
124.01662	0.6
125.02441	2.6
127.11305	0.4
129.02008	0.4
141.09221	0.4
143.03491	2.6
153.09140	0.7
155.10779	0.3
159.02977	1.1
161.04541	4.7
169.12334	0.5
171.13921	1.8
179.05539	0.4
187.13400	0.9
191.05630	0.6
201.14981	2.0
217.14543	0.6
242.17195	0.3
257.28049	0.3
294.35895	0.3
331.64188	0.3
341.26984	0.5
343.04492	0.4
343.28506	1.8
359.28101	1.2
361.29587	11.1
362.30017	0.7
402.58875	0.4
403.30701	1.0
457.31601	0.8
465.60413	0.3
469.31982	0.6
475.33115	1.6
487.32578	0.6
503.32379	0.6
505.33820	100.0
506.34177	9.7
506.40091	0.2
523.34857	27.2
524.35236	2.9
535.19324	0.5
565.35901	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	565.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84531	0.8
59.01380	17.4
59.75147	1.0
62.42849	1.0
71.01010	1.2
71.01385	16.9
71.50121	0.9
71.50526	1.4
72.99308	1.7
73.02927	6.1
73.18120	0.9
78.95846	0.9
83.01376	1.2
83.59659	0.8
85.02954	3.1
87.00875	6.5
89.02448	36.6
99.00824	0.8
101.02431	5.9
102.94421	0.9
103.04009	5.1
105.01953	1.8
108.90183	6.9
110.87667	0.9
110.89912	4.6
111.00838	1.3
113.02452	5.8
115.00384	2.7
117.01944	1.1
119.03503	4.3
129.01938	3.1
131.03470	2.4
137.79189	0.8
147.03049	1.0
147.06586	0.8
149.04556	100.0
150.04872	1.7
152.01187	0.8
152.95981	6.0
154.97513	2.1
161.04568	1.3
175.02434	1.1
179.05638	4.6
180.00688	1.5
180.09509	0.8
182.97017	1.6
191.05566	1.9
198.89714	1.5
213.81743	1.0
222.97810	24.0
222.99886	1.7
226.89201	3.5
228.88918	1.3
228.97534	1.7
295.10120	0.9
300.82492	1.1
302.82217	1.0
302.90796	3.6
317.05328	2.0
341.10892	31.6
342.11176	1.2
343.11279	1.0
346.89554	1.9
381.43369	0.9
413.56143	0.9
415.03824	1.8
416.78998	2.3
417.03992	1.9
489.03644	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.7
57.03452	3.8
58.00600	0.9
59.01381	100.0
60.01714	0.7
61.98838	1.3
62.45107	0.5
67.01903	1.5
69.03468	1.6
71.01383	31.0
71.05031	0.4
71.52198	0.5
72.99323	1.7
73.02951	6.6
81.03507	0.5
83.01382	3.4
85.02955	17.8
85.03474	1.0
87.00885	4.2
89.02451	9.4
90.06216	0.5
93.03456	6.8
94.77220	0.4
95.01387	3.5
96.96028	0.7
97.02956	1.2
99.00888	3.0
100.56509	0.5
101.02445	13.6
101.06110	0.5
109.02934	0.5
111.00909	0.9
111.04488	1.1
111.60047	0.4
112.01683	0.7
113.02454	20.2
113.09709	0.6
115.04074	0.5
119.03510	4.2
123.08184	0.8
124.01677	0.9
125.02447	2.5
127.03995	0.9
127.11343	0.5
129.01970	0.6
131.03575	0.8
135.28336	0.5
137.09741	1.0
139.11267	0.4
141.09258	0.9
143.03487	2.8
155.03505	1.0
155.10803	1.6
157.12381	0.9
159.03001	1.1
161.04578	4.4
161.05954	0.7
169.12393	0.7
171.10268	0.5
171.13980	0.7
173.04543	5.6
177.09151	0.6
179.05571	0.7
187.13438	1.2
191.05612	29.8
192.05983	0.9
201.14983	1.7
205.08507	0.5
217.14296	0.5
227.03503	1.2
228.04295	0.9
230.15315	0.9
233.06679	0.8
283.13391	1.4
309.14832	0.8
311.12906	0.5
327.16000	2.7
327.21570	0.7
329.14038	0.7
341.26932	2.2
345.17148	1.0
353.13901	2.4
359.28015	13.3
360.28421	0.9
371.14975	8.4
372.15219	1.3
389.16132	1.0
473.30984	0.5
485.31268	0.8
503.32281	80.7
504.32715	9.0
521.33325	33.6
521.41400	0.8
522.33533	3.9
545.20544	0.7
545.33282	2.1
563.20862	2.8
563.34644	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	564.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69812	0.3
56.77262	0.4
61.98829	1.4
66.03470	0.6
69.03463	0.6
75.45193	0.3
78.95483	0.6
78.95905	7.1
91.07394	0.3
93.03459	9.6
98.84653	0.4
112.04047	0.4
114.05608	100.0
115.05930	2.0
129.76736	0.4
130.06705	0.4
137.02441	9.9
152.99551	1.1
168.04282	1.0
203.61069	0.4
224.06938	2.8
229.52678	0.5
242.08002	0.5
279.23279	32.2
280.23657	2.7
305.80774	0.4
373.18481	0.4
387.32669	4.5
405.33945	1.0
417.26459	0.6
431.31601	11.9
432.32141	1.9
449.32709	4.0
450.33237	0.4
504.30954	21.5
505.31046	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15826	0.3
55.01880	1.3
55.29903	0.3
57.03448	3.9
58.00605	0.7
59.01381	100.0
60.01721	1.0
60.99327	0.6
61.98830	0.8
67.01896	1.0
68.99830	0.5
69.03465	1.6
69.83057	0.8
69.83469	1.1
71.01383	22.1
71.05035	0.4
72.34567	0.3
72.99328	1.1
73.02942	5.8
77.15277	0.3
78.95918	1.9
80.51818	0.3
81.03442	0.5
83.01378	3.6
83.01735	0.3
83.05039	0.7
85.02953	14.8
87.00875	4.3
89.02442	5.6
93.03460	7.2
95.01382	2.1
96.96008	0.5
96.96980	0.7
97.02950	1.6
97.06586	1.2
99.00874	2.8
99.04522	0.5
101.02447	12.1
109.02942	0.5
111.00871	1.6
111.04529	1.1
111.08156	0.6
112.01680	0.8
112.94649	0.3
113.02453	14.3
113.09747	0.9
115.03996	0.6
119.03528	1.6
123.08176	3.0
124.01699	0.8
125.02454	1.8
127.00410	0.4
127.04050	0.8
127.11324	1.0
129.01939	0.8
131.03535	0.3
133.02994	0.6
134.03705	0.5
135.04533	1.2
137.02463	0.6
137.09753	1.0
141.02037	0.5
141.09232	1.9
143.03543	2.1
143.10815	0.5
155.03496	0.4
155.10785	0.9
157.01460	0.5
159.02977	1.1
159.85095	0.4
161.04597	2.7
169.01466	0.8
169.12364	1.4
171.13942	2.4
173.04558	7.1
173.06050	0.6
174.03220	0.3
178.02722	0.5
179.05635	0.7
186.06776	0.5
187.07755	0.4
187.13379	3.4
191.05620	21.8
200.14183	1.3
201.14949	1.5
203.07205	0.7
209.06091	1.3
211.13383	0.4
214.06329	0.8
215.07114	0.4
227.07159	1.6
229.08830	0.4
229.18092	0.4
233.06599	1.1
245.08096	0.5
247.09750	0.6
248.10669	0.4
274.08569	0.3
277.21628	0.4
282.67691	0.3
309.15045	0.4
327.15918	1.7
327.21652	0.4
339.25101	0.3
341.27036	1.0
345.17154	0.8
353.14011	1.0
357.26456	1.1
359.28009	16.8
360.28458	1.3
363.20105	0.4
371.14969	2.6
383.28058	0.5
389.15921	0.9
434.79306	0.3
455.30209	1.0
473.31134	1.0
485.31396	1.4
503.32260	75.5
504.32504	7.5
521.33270	24.4
522.33575	2.7
545.20001	0.7
545.33514	1.2
563.20782	3.7
563.34674	0.6
564.22076	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	2.3
59.01380	71.1
67.01886	2.4
69.03431	2.5
71.01386	32.1
72.99284	2.4
73.02940	5.8
80.61922	1.5
83.01401	1.8
85.02950	13.8
87.00866	6.1
89.02448	44.9
93.03472	11.8
95.01394	3.9
95.10035	1.5
96.96021	3.4
99.04520	33.8
100.05038	1.8
101.02438	14.7
103.04034	4.1
108.12999	1.9
111.04517	5.0
113.02458	13.7
119.03506	6.6
121.06596	3.4
149.04561	54.6
154.31810	1.7
155.91631	1.7
160.48712	1.9
161.04651	2.4
162.90933	1.7
164.04771	6.8
173.04535	10.7
174.56680	1.9
179.07155	5.6
187.03917	3.9
189.12892	9.8
191.05611	80.1
192.05986	2.0
207.13899	36.9
247.15427	1.8
251.12878	100.0
252.13290	4.3
253.09258	1.9
259.02814	4.5
269.13895	2.3
283.13544	3.5
311.12753	2.1
327.16028	5.8
345.17151	3.7
353.13754	4.9
371.14954	18.5
383.17255	2.7
427.19366	2.0
431.19162	86.0
432.19650	7.5
463.65894	1.8
503.32419	3.5
521.33807	3.1
545.20325	4.6
553.90930	1.9
563.23358	87.1
564.23779	5.8
576.31854	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.0
57.03450	3.2
58.00577	0.6
59.01378	100.0
60.01703	0.8
61.98838	0.4
67.01897	0.7
69.03448	0.9
70.14069	1.1
71.01381	28.4
71.05028	0.4
72.99309	1.4
73.02944	6.8
79.01927	0.4
83.01383	3.5
85.02948	15.8
86.00101	1.0
87.00866	2.9
88.16364	0.4
89.02436	9.6
89.02934	0.6
92.80677	0.4
93.03455	2.6
93.12943	0.5
95.01387	3.8
97.02972	1.7
97.06577	0.9
98.19918	0.6
99.00891	2.8
101.02436	11.9
111.00878	1.1
111.08216	0.4
112.01669	0.9
113.02448	20.1
113.09724	0.6
115.03956	0.4
119.03486	3.0
123.08164	2.0
124.01672	0.8
125.02433	2.2
126.93954	0.4
127.11301	1.1
130.37161	0.4
131.03546	0.5
137.09744	0.5
139.11287	0.4
141.09238	0.6
143.03465	2.4
153.12811	0.5
155.10797	0.9
157.12401	0.6
159.02977	0.9
161.04529	3.7
169.12285	0.9
171.13902	1.7
173.04518	2.8
180.30174	0.4
187.13423	1.6
191.05598	7.9
201.15005	1.5
203.12866	0.5
205.29733	0.4
213.41069	0.4
214.06343	0.5
230.15314	0.5
277.21643	0.4
327.21982	0.5
341.26797	2.0
344.18408	0.9
357.26605	0.5
359.27991	13.3
360.28424	0.7
362.19705	0.6
371.15079	1.1
389.16098	0.6
401.28946	0.5
455.30276	0.9
467.29944	0.8
473.31158	1.1
485.31436	1.2
503.32233	92.7
504.32617	9.8
521.33264	35.4
522.33710	3.9
545.33258	2.0
563.21411	1.3
563.34399	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	563.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36000	1.1
55.01857	1.2
58.00590	1.3
59.01380	100.0
61.98810	1.2
69.03471	2.2
69.41794	7.9
71.01383	50.7
72.99303	1.9
73.02950	58.7
75.00828	1.2
81.02562	1.2
82.17902	1.0
83.01400	14.1
84.01726	1.3
85.02955	13.0
87.00888	4.3
89.02435	17.1
93.03451	8.4
95.01376	2.7
101.02444	55.7
108.02190	2.2
109.02950	3.5
111.04537	1.8
113.02454	25.5
119.03483	8.2
121.02963	3.3
122.03790	2.8
123.04546	3.1
125.02469	1.8
131.03497	5.4
133.02965	1.4
136.01636	1.6
139.64049	1.1
143.03493	4.4
148.05310	1.7
149.04576	6.1
155.03539	2.3
159.04503	3.9
160.05290	7.1
161.04564	12.7
161.05876	2.4
165.09169	1.1
172.05325	5.8
173.04532	4.8
173.06042	4.3
175.07635	4.4
179.05611	2.0
187.07640	2.6
189.05580	9.1
190.06367	11.2
191.05602	28.5
199.04033	2.8
203.10760	11.6
205.08731	9.8
251.12810	1.7
265.14600	1.5
281.08240	2.4
283.13422	2.2
285.04071	1.6
295.09940	1.6
296.10562	5.6
299.01849	9.5
300.02795	7.1
301.03531	2.7
311.12872	8.9
313.03571	3.5
315.04996	4.1
327.12372	1.4
327.15979	1.8
327.21793	1.5
329.14014	2.6
341.13913	45.8
342.14395	3.3
345.17059	2.3
353.13855	1.9
371.15076	6.1
405.10925	1.1
437.24420	1.2
445.93970	1.1
503.19290	10.9
514.35284	1.1
519.11420	16.3
520.11871	2.7
521.20526	2.3
527.21429	1.2
545.20416	3.8
563.21631	2.7
578.97540	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36000	1.1
55.01857	1.2
58.00590	1.3
59.01380	100.0
61.98810	1.2
69.03471	2.2
69.41794	7.9
71.01383	50.7
72.99303	1.9
73.02950	58.7
75.00828	1.2
81.02562	1.2
82.17902	1.0
83.01400	14.1
84.01726	1.3
85.02955	13.0
87.00888	4.3
89.02435	17.1
93.03451	8.4
95.01376	2.7
101.02444	55.7
108.02190	2.2
109.02950	3.5
111.04537	1.8
113.02454	25.5
119.03483	8.2
121.02963	3.3
122.03790	2.8
123.04546	3.1
125.02469	1.8
131.03497	5.4
133.02965	1.4
136.01636	1.6
139.64049	1.1
143.03493	4.4
148.05310	1.7
149.04576	6.1
155.03539	2.3
159.04503	3.9
160.05290	7.1
161.04564	12.7
161.05876	2.4
165.09169	1.1
172.05325	5.8
173.04532	4.8
173.06042	4.3
175.07635	4.4
179.05611	2.0
187.07640	2.6
189.05580	9.1
190.06367	11.2
191.05602	28.5
199.04033	2.8
203.10760	11.6
205.08731	9.8
251.12810	1.7
265.14600	1.5
281.08240	2.4
283.13422	2.2
285.04071	1.6
295.09940	1.6
296.10562	5.6
299.01849	9.5
300.02795	7.1
301.03531	2.7
311.12872	8.9
313.03571	3.5
315.04996	4.1
327.12372	1.4
327.15979	1.8
327.21793	1.5
329.14014	2.6
341.13913	45.8
342.14395	3.3
345.17059	2.3
353.13855	1.9
371.15076	6.1
405.10925	1.1
437.24420	1.2
445.93970	1.1
503.19290	10.9
514.35284	1.1
519.11420	16.3
520.11871	2.7
521.20526	2.3
527.21429	1.2
545.20416	3.8
563.21631	2.7
578.97540	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57098	3.0
59.01378	53.1
61.24821	3.1
69.28782	22.6
71.01382	22.2
73.02946	23.4
75.61808	2.9
79.95734	8.0
83.01379	8.8
85.02955	11.4
87.00879	10.2
89.02438	5.7
93.03460	24.8
96.96004	5.9
98.19926	6.8
101.02441	22.8
113.02449	9.2
118.13519	3.0
118.72761	3.3
151.03986	7.7
155.03471	3.5
164.04814	21.1
173.04526	18.3
179.07109	19.4
191.05612	100.0
192.05946	3.8
243.51466	3.2
259.02789	21.9
283.09717	12.1
283.13113	4.8
295.92929	3.2
298.12238	4.5
311.09341	28.4
311.12610	4.2
326.11569	14.4
327.12393	4.4
327.15842	7.0
341.13867	30.6
353.13809	8.8
359.14111	4.3
369.09860	3.0
371.14932	12.6
434.40182	3.3
485.18021	7.6
503.19122	8.0
503.59610	2.9
533.19971	7.1
545.20184	9.8
563.21350	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	563.119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.1
59.68380	0.6
61.98831	10.0
68.90465	0.6
80.96531	2.4
85.17496	0.6
92.17163	0.6
96.08350	0.6
99.04544	0.7
119.05030	0.7
120.02187	0.8
121.02953	100.0
122.03280	2.7
151.04034	0.9
152.11014	0.7
157.42180	0.6
179.03487	91.4
180.03865	3.6
180.05331	0.6
181.06596	2.8
191.05690	1.5
197.06075	0.7
225.05592	1.9
255.06602	1.3
265.05072	1.0
313.07108	2.5
324.47678	0.6
357.06186	1.7
383.07736	1.4
399.08670	1.3
475.10403	5.4
476.10074	0.7
563.11945	1.9
563.25427	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	563.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01374	4.2
60.99306	1.7
67.01889	5.7
69.03447	1.2
69.53149	3.7
71.01381	2.6
75.90283	0.7
76.23310	0.5
81.03462	1.0
83.04991	0.7
85.02947	8.4
87.00871	6.3
91.61135	0.6
93.03460	27.8
108.02174	0.8
109.02949	1.8
111.04525	4.1
121.02995	0.9
124.01665	1.5
127.04019	2.5
132.02168	1.9
133.02963	3.6
134.03740	4.0
135.04529	28.0
136.04948	0.6
137.02431	1.7
150.03175	0.9
151.04018	2.7
155.03477	1.7
160.01646	4.4
161.02454	1.2
171.02914	1.0
173.04546	19.9
173.05934	1.0
174.03221	1.9
174.04788	0.7
177.01923	2.0
178.02708	1.4
179.03502	5.9
186.06897	0.7
187.07576	0.9
191.05606	100.0
192.05888	3.5
200.04738	0.8
205.81479	0.6
211.13383	0.9
211.21950	0.6
215.05368	0.7
215.07210	5.1
233.06590	1.9
256.07159	1.1
283.13370	0.9
299.16522	1.5
307.08191	1.3
308.09006	5.2
309.14896	3.8
327.16000	10.9
328.16269	0.8
345.17035	2.0
351.07230	4.8
352.07925	4.1
353.13925	1.5
371.14966	18.3
372.15378	1.3
389.15967	0.8
493.18491	0.8
503.31921	0.8
545.20190	7.5
546.20752	1.4
563.21252	16.8
564.21838	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1039
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.31586	0.8
59.01377	16.0
69.53604	2.3
69.54034	3.9
71.01376	7.5
73.02935	7.1
75.85446	0.9
77.75449	0.8
83.01391	2.9
85.02951	4.1
87.00873	1.2
88.98777	1.5
89.02444	4.2
93.03452	3.7
101.02448	8.8
109.02913	1.3
111.08103	1.0
113.02447	4.8
119.03481	1.5
123.04498	0.9
125.02418	0.9
133.02946	10.7
135.00876	1.1
135.48505	0.9
145.08699	1.3
149.04527	1.1
156.80052	0.9
160.05278	1.7
161.04518	1.8
161.05916	0.9
163.00365	3.6
164.98286	2.3
165.99094	1.3
173.04507	2.3
175.07709	1.2
178.99893	1.4
183.04391	0.9
190.06329	1.6
191.05623	9.5
199.03989	13.8
201.01904	4.1
205.08748	1.6
211.03824	1.1
215.03337	1.0
227.03514	5.0
243.02933	5.5
255.02933	3.0
271.02527	7.3
285.04013	5.4
296.10461	1.4
299.01950	56.2
300.02716	34.7
301.03479	12.4
311.01907	1.4
311.13007	1.6
313.03513	18.7
314.04370	4.6
315.05087	28.1
341.13922	7.8
342.13937	1.0
407.77759	1.1
477.09875	1.9
503.19376	2.9
504.08893	1.6
519.11420	100.0
520.11664	9.1
554.33972	1.1
563.21503	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	561.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.2
65.01112	0.8
66.18583	0.8
70.09141	2.5
70.09556	2.1
71.01381	22.5
72.99311	14.1
73.02943	3.3
78.95872	0.7
80.96516	1.5
87.00847	1.0
89.02440	1.2
96.96012	12.2
96.96975	1.2
98.20572	1.3
101.02481	0.9
108.00291	0.8
113.02487	1.1
114.99566	2.0
115.00372	34.8
116.00744	0.9
116.92882	8.9
122.03740	38.3
124.05331	1.4
125.02441	0.9
130.15315	0.8
133.01428	33.8
134.03705	1.5
135.04514	1.0
136.05331	1.1
137.05937	1.0
149.06068	4.7
151.07610	5.1
153.09219	3.2
161.09789	1.0
162.06784	1.0
176.08452	1.5
179.10765	1.1
191.05580	1.8
191.10751	9.0
202.58656	1.0
207.10240	1.7
217.12387	1.5
229.12267	2.4
235.13341	3.6
247.13522	1.2
251.12846	5.6
252.13243	1.2
253.14366	1.6
265.14474	3.5
282.14636	7.3
283.15503	100.0
284.15808	5.5
336.00903	0.9
445.20779	33.9
446.21136	2.9
543.20874	6.4
545.48846	1.0
561.21924	39.1
562.22290	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	562.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.9
60.79262	0.5
61.98832	11.8
66.16857	0.4
69.05639	0.5
69.32671	3.5
71.90244	0.4
78.95901	32.7
81.90213	0.6
85.06604	1.7
93.03539	0.8
98.19897	0.8
119.05000	2.6
122.00098	1.0
126.12103	0.4
140.01190	8.1
149.06050	0.6
152.98549	0.5
152.99606	2.9
155.14453	0.9
165.12822	1.4
177.10129	0.5
181.12363	1.7
191.05612	0.6
196.03786	14.9
199.13383	18.6
200.13750	0.6
214.04898	3.4
226.07126	0.5
279.19666	12.3
329.24445	0.5
347.25842	6.7
363.25366	0.9
363.29492	0.5
365.26941	100.0
366.27264	6.3
411.96185	0.5
510.62393	0.5
522.95898	0.6
524.15125	0.5
562.31458	53.4
563.22766	1.4
563.31763	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	560.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
59.01073	1.8
59.01379	61.1
61.98830	100.0
70.11442	4.1
71.01376	19.7
73.02949	22.0
83.01395	5.6
85.02958	5.7
87.00871	1.7
89.02459	6.9
93.03452	2.8
98.20634	1.4
99.04549	1.4
101.02441	25.4
102.98573	4.4
108.24923	1.1
109.06528	1.2
113.02443	12.7
119.03477	3.3
120.99644	1.0
125.02407	1.6
131.03500	2.4
143.03470	3.0
149.04521	4.7
160.99132	1.2
161.04584	9.4
173.04506	2.4
179.00224	4.9
191.05598	7.5
247.99960	1.4
315.83051	1.2
357.26443	1.2
428.26517	2.1
501.30688	14.9
519.31537	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	561.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.9
60.36117	1.3
67.01874	2.4
69.02238	1.3
69.28803	10.6
69.29226	3.3
71.01381	4.5
72.21436	1.4
73.02955	1.9
81.03410	1.5
81.09847	1.4
85.02969	8.9
87.00874	4.7
89.02409	2.1
93.03452	20.8
96.96005	4.2
98.64938	1.4
99.04477	1.5
101.02428	2.8
111.04522	1.8
113.02468	2.0
121.02981	3.1
122.03728	1.6
127.04035	2.0
132.02190	2.0
133.02930	10.2
135.04489	6.1
136.01660	48.7
137.02246	1.7
151.04007	69.9
152.80986	1.5
160.01628	5.8
161.02431	12.6
163.03970	2.2
164.04817	2.2
164.94867	1.4
173.04550	11.9
177.01965	3.1
177.05585	1.6
191.05608	100.0
191.88908	1.4
215.05641	2.5
297.42639	1.4
309.07669	2.0
339.12317	3.5
342.11060	2.4
351.07098	8.8
357.13406	52.1
358.13675	5.9
369.09708	18.7
449.22644	1.5
501.30511	2.5
561.16205	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06984	1.8
52.52283	1.9
58.99608	6.1
59.01378	24.7
61.98828	100.0
70.34821	3.8
70.35165	6.3
71.01377	6.1
73.02982	2.6
79.95735	2.3
83.01370	2.5
85.02946	5.5
87.00880	3.5
89.02446	4.8
93.03467	4.5
96.96016	3.9
99.04520	4.7
101.02439	4.0
102.98586	16.7
113.02458	4.5
122.03709	10.0
134.03767	2.3
135.04556	5.1
136.01694	13.0
139.04031	2.7
149.06085	15.0
150.06842	4.9
151.04025	18.3
154.99817	3.2
161.04579	2.2
162.06865	2.4
163.07635	2.8
173.00885	5.8
173.04582	2.3
191.05582	16.3
193.05046	2.3
216.11517	3.2
231.13902	6.4
248.14197	28.3
249.14934	99.9
250.15253	7.3
299.13385	3.3
354.07016	2.2
357.13361	27.1
393.19144	9.1
428.26587	5.2
453.21082	5.2
516.25653	2.9
560.11700	4.4
561.26428	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	559.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.6
59.01380	87.5
61.98829	84.0
64.38339	4.6
71.01370	21.7
71.05039	4.0
71.09677	9.4
73.02949	13.6
83.05035	9.2
85.02937	8.1
87.00890	9.8
89.02433	8.8
93.03425	5.2
96.95974	7.1
97.02959	5.4
97.06578	6.6
97.48708	5.4
99.00880	15.5
101.02438	12.3
113.02461	8.1
119.11140	4.3
120.99622	7.2
125.09747	11.1
163.11287	24.6
165.12761	4.7
171.10234	11.0
173.04523	6.1
181.12305	30.0
191.05609	12.8
199.13396	18.9
201.11270	33.7
207.10252	31.7
209.11812	69.3
225.11270	54.8
227.12770	8.3
243.12376	20.2
293.20959	5.3
295.10184	6.1
311.22321	7.8
317.15912	23.2
455.26599	7.9
469.73764	4.9
473.27493	16.3
515.28656	100.0
516.28851	11.9
527.28638	67.1
528.29065	9.1
559.32745	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	560.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86417	0.8
57.03450	1.0
59.01379	12.1
60.35443	0.8
61.98830	100.0
71.01366	4.3
73.02967	1.2
74.67203	1.1
85.02955	2.2
89.02451	3.0
93.03436	2.3
96.96004	1.0
101.02455	2.5
113.02441	2.1
119.03461	1.1
122.03748	9.7
125.02426	1.0
131.24414	0.9
131.71582	0.9
135.04538	1.5
136.01715	1.1
136.05388	1.0
149.04558	1.6
149.06065	6.3
151.07632	2.2
155.10796	1.0
162.06839	1.1
163.07671	0.9
173.04532	1.1
173.09769	2.2
176.08421	5.6
179.10770	2.2
181.12354	1.1
189.09203	2.8
190.09956	2.0
191.05609	9.8
191.10768	12.2
192.05952	2.4
203.42642	0.9
205.08647	2.0
214.46416	0.8
225.11223	2.0
248.14204	4.3
249.14954	46.0
250.15259	3.4
262.46622	0.9
263.12909	1.4
281.13953	1.5
307.20056	0.9
428.26556	4.4
453.21365	2.5
561.21875	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	559.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99608	0.8
59.01376	2.8
61.98828	1.7
63.96246	0.9
66.99214	0.6
69.18196	5.7
70.32284	0.6
71.01380	6.6
73.02931	1.3
75.71009	0.6
78.98584	4.5
79.95735	8.0
80.96516	52.4
81.03455	0.7
85.02943	2.0
87.00875	2.8
94.97488	0.9
94.98087	13.6
95.03334	0.6
96.95992	2.5
97.02946	1.6
97.98837	0.5
98.20656	1.5
101.02433	2.5
102.98621	3.3
103.46901	0.7
106.98066	2.7
108.02180	0.5
113.02426	0.9
120.99663	0.7
122.97571	2.9
125.02419	2.5
134.97577	4.3
136.99173	0.7
148.99146	4.7
152.98633	4.8
164.98625	10.4
191.05557	2.1
206.99596	1.6
209.11783	2.3
225.00742	15.2
299.04367	2.3
380.26578	0.7
515.06421	0.7
527.17883	2.4
559.20605	100.0
560.20978	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	559.206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.4
61.98840	0.6
63.96250	0.9
70.06014	1.8
71.01374	6.6
72.99305	0.5
73.02934	1.4
78.98589	5.7
79.95734	10.6
80.96516	57.0
81.03477	0.7
83.01418	0.6
85.02968	3.1
87.00875	2.7
94.98092	13.4
96.96022	1.8
97.02959	1.4
99.00880	0.5
99.04557	0.6
101.02436	2.3
102.98593	0.9
106.98081	2.9
122.97609	2.0
125.02454	3.0
127.04001	0.5
134.97585	4.2
136.99173	1.0
148.99127	5.1
149.06056	0.5
152.98627	5.1
159.48756	0.4
164.98637	10.3
167.00117	0.6
188.98529	0.4
191.05626	1.6
206.99646	2.3
209.11774	2.8
225.00732	17.0
226.01015	0.5
273.04910	0.5
299.04428	2.4
307.30402	0.4
329.13724	0.6
518.13586	0.5
527.18201	3.2
528.18896	0.5
559.20618	100.0
560.21027	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	559.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45833	0.5
59.01379	2.6
61.98829	41.9
69.03462	3.9
70.75070	0.6
70.75398	1.0
83.05009	2.2
93.07133	0.7
95.05029	1.1
96.96045	0.6
99.04534	1.0
105.07067	1.0
107.05035	1.0
107.08681	1.2
120.05781	0.6
121.06615	0.6
123.08171	1.1
125.02405	1.3
133.06628	1.2
133.10210	2.0
135.08128	1.8
137.02461	0.6
143.08736	0.5
145.10262	0.6
147.08215	0.6
148.05292	0.8
149.06053	2.4
149.09720	0.7
151.07643	9.1
153.00137	1.0
154.00938	2.0
159.08070	0.7
160.08934	0.6
161.09752	0.7
167.01740	2.5
168.99603	1.6
171.11790	6.8
173.09743	4.1
174.10463	0.9
177.09166	0.8
181.03293	5.1
182.04059	11.5
187.11259	2.1
189.09225	1.6
189.12848	29.3
190.12975	1.0
205.06819	0.9
207.04832	0.6
214.03099	3.8
215.10721	3.5
222.07191	2.0
223.07925	0.9
231.10304	0.6
233.11812	12.0
247.13354	1.0
277.10791	100.0
278.11121	5.5
281.12158	76.3
281.15378	1.3
282.12427	4.3
336.22510	0.7
447.12976	0.5
559.22284	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65581	3.5
57.48627	3.5
57.53847	3.1
59.01375	52.3
71.05812	3.5
71.51545	3.2
71.51923	4.9
73.02943	4.1
79.95744	14.5
94.67899	3.7
96.96001	64.6
99.92588	13.6
122.97594	4.2
126.31206	3.4
200.85840	15.4
229.39990	3.5
299.25888	90.9
352.18887	4.2
422.55768	3.9
514.14868	4.4
549.88104	4.4
557.33478	100.0
558.33783	13.7
584.48431	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	558.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53233	0.2
56.24028	0.3
61.98828	100.0
69.98775	1.0
95.15594	0.2
105.45891	0.3
114.93591	0.3
191.55869	0.3
235.81688	0.3
247.13422	0.7
278.11127	0.3
337.07065	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04967	0.3
54.79945	0.3
59.01378	0.8
60.67582	0.3
61.98828	100.0
71.07198	0.6
77.71843	0.3
104.15772	0.3
107.43658	0.3
114.33720	0.3
161.23016	0.3
164.76233	0.3
169.68063	0.3
171.58929	0.3
202.07048	0.3
281.12219	0.7
282.12515	0.5
477.21820	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87498	0.2
59.01377	0.5
61.96086	0.2
61.98829	100.0
69.61120	1.0
81.55270	0.2
91.12315	0.2
125.89964	0.1
141.62938	0.2
144.09460	0.1
149.06030	0.2
159.04437	0.2
160.88339	0.2
167.53061	0.1
170.11792	0.2
174.06865	0.4
189.09204	0.3
247.13351	0.9
248.13919	0.2
334.66101	0.2
479.05762	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38950	0.8
59.01382	2.1
61.98804	1.2
67.28679	0.8
69.68877	1.3
69.69176	5.2
71.01379	2.1
79.95737	56.9
80.96522	4.5
85.02964	0.8
86.26368	0.9
89.02409	1.3
90.54875	0.8
94.98118	1.7
95.94611	1.3
95.95232	25.3
96.96014	100.0
110.97524	1.1
122.97584	25.0
135.04524	1.1
141.95755	2.8
145.02991	0.9
146.03738	55.5
147.04263	2.2
149.02417	1.9
149.06049	1.4
152.01085	1.3
161.02470	1.8
161.06081	16.6
163.04053	1.1
164.04790	37.2
166.02654	1.0
167.03481	1.7
176.04840	0.9
176.08345	3.5
177.05629	1.3
179.03593	6.7
179.07133	40.6
180.07422	2.0
181.05022	0.9
191.05598	2.2
192.04294	1.0
194.05870	5.8
201.87483	1.0
207.06534	1.4
209.08159	3.5
252.16245	0.9
265.14426	1.7
267.16174	1.8
274.01425	1.2
289.00076	0.9
317.03326	1.2
347.04385	3.4
349.06070	2.1
372.04721	0.9
379.07047	66.2
380.07364	2.8
397.18506	1.9
484.10736	1.5
527.12231	1.8
528.77563	0.9
559.14844	89.3
560.15216	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	557.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.2
59.01844	0.1
61.98828	100.0
71.29942	0.2
78.95911	0.7
85.22059	0.1
86.45704	0.1
101.78183	0.1
114.73334	0.1
152.99532	0.2
191.05774	0.2
224.66058	0.1
251.06947	0.1
255.23265	1.7
256.23703	0.5
257.23944	0.3
258.24271	0.2
480.30911	1.0
483.31958	0.5
507.70294	0.1
557.31903	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06216	0.1
59.01379	0.3
59.85773	0.1
61.98830	100.0
62.98533	0.2
71.52794	0.2
78.95921	0.5
114.55949	0.1
120.75558	0.1
152.28038	0.1
152.99638	0.4
188.59242	0.1
241.01492	0.1
255.23265	2.1
255.25455	0.2
256.23544	0.9
257.23993	0.4
258.24100	0.2
339.23248	0.1
480.30728	0.7
483.32047	0.3
557.32562	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83547	2.0
59.01379	100.0
61.98834	9.7
69.26551	19.0
71.01393	11.0
73.02951	9.9
83.01376	3.5
85.02958	3.0
89.02412	4.8
93.03452	2.5
99.00893	2.0
101.01835	2.8
101.02424	13.9
117.20554	2.1
155.26028	2.1
191.05576	3.9
220.04062	2.3
227.40242	2.5
267.42813	2.1
291.19626	11.0
328.47147	2.0
329.22711	2.5
347.08591	2.4
397.20624	2.9
466.16983	2.0
471.25781	4.1
495.25558	2.9
513.26965	51.1
514.27356	6.7
583.83954	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	557.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35484	0.3
59.01378	24.1
61.98830	4.0
70.70316	0.5
70.70645	0.6
71.01393	2.6
73.02937	0.6
74.02478	0.4
76.37150	0.3
79.95736	0.4
80.96507	0.4
81.03459	0.3
83.01379	0.4
85.02957	0.6
89.02454	2.1
95.01436	0.4
96.96012	2.7
101.02451	2.3
102.98623	0.7
113.02464	1.9
118.98040	0.4
119.03493	1.7
125.02418	0.8
141.53911	0.3
143.04616	0.9
151.00348	0.8
161.04523	0.9
161.81407	0.3
169.01396	1.2
170.86320	0.3
177.03363	1.5
179.05646	0.7
187.02473	0.3
191.05508	0.5
252.36600	0.3
269.19174	0.3
277.10736	0.5
309.07651	0.4
311.09192	0.5
335.22250	100.0
336.22610	8.1
339.12177	0.3
341.13751	0.4
349.23953	0.7
356.12857	0.3
397.09561	0.4
489.11829	0.3
497.27554	1.2
557.19403	0.7
558.30347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.6
59.01368	2.6
61.98826	6.0
63.69501	0.5
69.03445	3.3
70.30875	1.7
83.05033	2.0
90.73450	0.5
95.05044	0.7
105.07043	0.6
107.05031	1.8
107.08640	1.2
117.07108	0.6
119.08651	0.6
121.06603	1.6
123.08117	0.9
125.02441	1.1
133.06560	0.6
133.10207	1.8
133.95831	0.5
135.04530	0.6
135.08171	1.6
136.05284	1.7
137.06024	0.6
139.02422	0.5
145.10234	0.6
146.07324	0.6
147.04488	1.4
147.08165	0.7
148.05278	0.9
148.08862	0.6
149.06047	3.4
151.07645	9.1
152.03020	1.7
154.00929	1.8
159.08096	1.9
161.09679	1.5
162.01511	1.0
163.02303	1.1
163.07626	0.7
165.09177	0.5
171.11783	5.5
172.05318	0.8
173.06026	1.2
173.09660	4.2
174.10435	0.9
175.07545	0.6
177.09158	0.9
179.01682	1.8
180.02489	13.4
180.03984	0.9
181.03258	3.6
182.04008	1.6
187.07574	1.3
187.11278	3.7
189.09189	1.1
189.12834	27.7
190.13187	0.9
191.01686	0.6
193.03287	1.3
193.06900	0.7
194.04042	1.7
203.05389	0.6
203.10698	0.8
205.12276	0.7
206.04095	0.9
207.04845	0.6
208.05527	0.6
215.10728	2.5
219.04869	0.5
221.06387	3.4
231.10199	2.4
233.11803	11.6
234.12244	0.6
235.13416	2.0
275.09244	0.8
277.10791	82.3
278.11145	3.4
279.10574	100.0
280.11008	7.7
281.12143	15.0
282.12482	0.9
309.08014	1.6
553.30707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29904	1.0
59.01383	12.9
60.80432	1.0
61.98803	4.1
69.03455	2.3
70.81749	1.1
71.01382	9.3
71.52235	1.6
73.02932	5.6
80.23550	1.0
85.02954	3.6
87.00848	2.0
89.02462	10.0
96.96013	14.6
99.04482	1.7
101.02442	6.1
102.98582	4.3
103.04002	1.4
109.02946	1.4
111.04478	2.2
113.02451	3.1
122.03731	8.0
131.03481	1.8
134.03705	5.0
135.04526	6.3
136.05272	2.9
148.05286	5.3
149.04546	15.6
149.06049	44.6
150.06873	13.5
151.07646	8.7
161.04524	3.4
163.07623	3.9
164.04782	6.6
167.10709	1.9
167.66228	1.2
175.07611	1.4
177.03352	1.4
178.99969	1.2
179.45735	1.1
191.05556	2.4
191.10693	1.5
194.95694	1.1
204.11549	12.4
205.12260	4.5
218.13104	77.3
219.13873	100.0
220.14153	5.3
223.13341	1.5
233.11717	5.6
251.12764	1.7
261.14987	2.2
262.12094	2.1
263.12885	32.1
264.13052	1.5
349.13803	1.3
425.18167	90.2
426.18378	5.0
557.13733	5.4
557.22290	81.7
557.30951	2.6
558.22864	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	556.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68821	0.7
61.98820	3.3
71.01379	2.5
71.52630	1.3
78.95903	19.2
78.98578	1.3
79.95731	2.7
80.96517	19.2
92.42384	0.9
94.98078	3.7
97.02952	0.7
122.97605	1.1
134.97572	1.0
148.99232	0.8
152.98514	1.6
152.99573	3.4
164.98619	1.8
168.04274	3.6
201.52513	0.8
224.06914	8.6
225.00790	4.2
226.00993	1.2
242.07982	2.7
256.23608	1.0
281.24844	100.0
282.25162	5.9
296.38562	0.8
350.60220	0.8
377.27475	0.9
427.40753	0.9
506.32520	58.2
507.32654	6.3
556.28711	31.0
557.28375	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
58.41501	0.7
59.01380	5.0
61.98832	47.3
65.70685	0.7
69.03451	3.9
71.52844	0.9
80.54703	0.8
83.05018	2.5
84.80035	0.7
93.07116	0.9
95.05021	0.8
97.02935	1.1
105.07072	1.1
107.05055	1.4
107.08655	1.8
111.04541	1.0
116.13100	0.7
121.06593	1.8
121.64517	0.8
125.02448	1.1
133.10268	1.9
134.03745	0.8
135.08145	1.6
137.06088	1.6
147.04468	0.9
149.06062	3.2
151.02261	0.9
151.07660	9.3
152.03023	2.9
153.00153	1.1
154.00969	5.1
159.08134	1.1
161.06052	2.9
161.09741	0.9
171.11790	6.6
173.09714	4.8
177.09180	0.8
179.01659	4.1
180.02512	4.8
180.99669	0.8
181.03305	9.5
182.04132	4.9
183.04913	0.8
187.11305	4.2
189.09174	1.3
189.12851	33.5
190.13206	1.7
193.03198	1.6
194.04099	7.9
195.04800	1.0
214.03175	1.4
215.10666	4.2
221.06383	8.0
231.08325	1.2
231.10486	1.8
233.11835	11.8
234.12157	1.1
235.13319	2.8
249.09395	1.0
251.11166	1.7
266.15305	1.9
275.09305	1.4
277.10800	98.9
278.11169	4.1
279.10587	100.0
280.10971	6.9
281.12122	17.7
282.12411	1.9
299.47629	0.8
309.08072	2.3
451.07599	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.284
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
55.62376	0.5
59.01367	0.6
60.69939	0.5
63.03508	0.4
63.96217	1.0
71.01070	0.5
71.01395	6.5
73.02946	1.5
78.98596	4.3
79.95739	8.8
80.96516	63.0
81.03455	0.9
85.02963	2.8
87.00864	2.3
89.90247	0.5
91.01760	0.6
94.98084	13.4
95.01406	0.5
96.96011	0.6
97.02934	1.0
98.20697	0.9
101.02457	2.4
106.98092	3.4
122.97576	3.1
125.02457	3.5
127.04016	1.1
134.97591	4.3
136.99139	1.3
137.71031	0.6
146.97467	0.6
148.99144	6.4
152.98625	5.1
164.98616	12.3
167.00224	0.5
206.99725	2.6
225.00731	12.6
255.23235	2.3
299.04373	2.5
555.28400	100.0
556.28735	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.39
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.1
71.01394	2.5
71.05025	2.4
72.69942	1.9
77.42143	1.8
90.19273	1.7
97.02935	3.3
97.06595	2.4
99.00877	16.1
123.08112	2.4
125.09701	7.3
163.11307	11.9
181.12325	19.0
193.04028	2.0
197.11766	2.0
199.13387	26.1
207.10252	29.9
225.11320	67.9
226.11729	4.8
233.63525	2.2
243.12312	14.9
255.23274	100.0
256.23587	4.0
299.14706	10.9
317.15967	15.7
478.73657	2.8
555.38959	86.3
556.39380	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	556.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
60.52216	0.3
61.98829	100.0
65.77359	0.4
69.74377	2.0
70.17484	0.3
74.14899	0.3
78.86024	0.3
83.41797	0.3
86.81333	0.3
149.06119	0.5
189.09177	0.4
220.20512	0.4
264.13824	0.6
265.14127	0.7
307.70618	0.4
353.34644	0.4
440.09549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2807
Annotation	Tricalysioside K
Peak:m/z	Relative Intensity
59.01380	12.7
62.19321	0.4
65.65337	0.4
71.01389	4.0
72.82753	0.4
73.02935	2.0
75.00863	1.2
80.96514	0.8
82.96069	0.6
83.01367	0.9
85.02957	2.7
87.00859	1.2
88.43486	0.5
89.02433	1.4
90.99900	0.5
96.95989	1.4
99.00872	0.7
101.02434	3.5
103.00365	1.3
113.02431	2.0
129.01927	0.5
191.05531	0.6
333.20706	4.2
336.89359	0.5
351.21719	12.2
352.22076	0.7
435.24014	0.6
495.25998	19.9
496.26382	1.7
513.26965	13.0
514.27142	0.9
555.28070	100.0
556.20013	0.4
556.28424	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	555.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.7
61.98815	0.5
71.00355	0.5
71.00684	0.8
71.01372	0.8
73.02943	1.4
79.26241	0.4
81.92260	0.4
85.02944	0.4
96.96014	1.9
101.02436	1.1
113.02453	0.5
115.74910	0.4
130.13086	0.3
158.40662	0.4
181.91771	0.4
183.66367	0.4
191.05624	0.6
220.20313	0.4
287.20319	0.5
307.22607	0.5
351.21735	100.0
352.22083	7.9
365.23233	1.9
393.22971	0.5
424.18716	0.5
555.19232	1.0
555.27771	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35040	0.5
57.03438	1.9
59.01380	10.5
69.27029	4.2
71.01380	3.4
73.02937	5.4
74.02471	0.6
77.69009	0.5
79.30395	0.5
79.51116	0.5
79.95736	0.5
83.01388	7.3
85.02960	1.5
87.00860	0.5
87.04518	1.9
89.02459	0.7
92.39291	0.6
96.96016	4.6
99.04522	0.8
99.05596	0.6
101.02431	5.4
102.84831	0.6
102.98621	1.4
108.02170	30.6
113.02434	0.7
115.92152	0.6
116.92863	2.5
123.04527	11.9
128.03517	0.8
135.08113	0.6
139.07654	0.8
139.11295	6.7
143.04608	1.3
151.11223	1.0
152.01146	67.6
153.01575	1.8
154.99876	1.5
163.11383	0.6
164.04782	1.0
165.09251	1.1
167.03488	100.0
168.03868	3.5
169.12363	2.1
173.00917	2.4
177.03340	3.4
179.07143	1.1
179.10757	2.0
181.12349	2.5
183.10251	10.3
191.05678	1.0
197.11794	1.7
199.13385	1.1
221.11745	0.6
225.11319	11.9
226.11693	0.7
231.10202	0.7
239.12825	0.6
243.12363	12.2
243.14659	1.1
249.11305	1.5
259.02829	1.5
267.12253	2.5
285.13416	1.7
291.12408	2.3
309.13361	1.2
327.14456	3.8
333.20633	2.4
351.21729	4.5
387.16592	9.5
388.17014	0.6
475.08636	0.6
528.09808	0.6
555.20874	6.9
555.28406	0.8
556.20868	0.9
556.28442	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2809
Annotation	Tricalysioside K
Peak:m/z	Relative Intensity
56.60276	0.5
59.01379	13.9
61.98805	0.6
71.01376	4.3
71.52193	0.6
73.02940	2.1
75.00875	0.9
80.96520	0.7
83.01373	0.7
83.27816	0.5
85.02970	2.6
89.02457	1.7
96.96012	1.2
101.02435	4.2
103.00362	0.9
113.02438	1.4
119.03497	0.7
146.78494	0.5
150.03131	0.7
152.01231	0.5
166.06384	0.8
191.05611	0.7
333.20679	4.0
334.20917	0.7
351.21786	8.7
352.22275	0.7
377.05563	0.6
495.25970	20.2
496.26407	1.9
513.27020	12.8
514.27222	0.7
555.28064	100.0
556.20874	0.4
556.28412	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	555.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.1
71.01381	0.4
73.02959	0.3
83.13396	0.2
101.02443	0.3
111.99044	0.3
115.98264	0.3
117.34784	0.2
121.68054	0.2
127.61047	0.2
137.69576	0.3
152.99435	0.3
191.05690	0.4
197.79726	0.3
208.09088	0.3
275.20129	1.1
289.17966	0.3
291.16599	0.5
291.19675	4.7
292.20029	0.5
321.20679	12.0
322.21115	0.8
323.22217	0.6
333.20639	0.2
345.38052	0.3
351.21741	100.0
352.22052	7.8
393.22815	0.6
398.08798	0.3
495.26068	1.3
513.27466	0.4
530.43951	0.3
555.28241	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	15.0
61.71260	0.2
61.98834	1.5
70.43764	0.8
78.95905	5.1
80.96530	0.4
100.15229	0.2
103.72712	0.2
110.83494	0.2
152.99574	1.2
168.04381	1.1
175.85992	0.2
224.06947	0.7
242.07990	2.6
255.23279	100.0
256.23636	5.7
279.23300	0.6
480.30923	29.1
481.31281	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	554.346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	21.6
69.72378	1.5
78.95901	19.3
89.08783	0.2
116.38929	0.2
117.77825	0.3
122.98507	0.4
144.77554	0.3
152.99600	2.5
168.04317	3.2
224.06914	7.8
242.08035	1.9
255.23273	100.0
256.23621	6.2
319.07693	0.3
427.20096	0.3
463.90570	0.3
480.30930	59.6
481.31210	5.3
558.44928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21569	5.7
59.01371	55.5
61.98838	9.4
68.45883	6.2
69.17021	65.3
71.01375	15.2
71.36036	5.7
74.81104	5.6
78.95889	6.1
85.02943	14.8
91.95065	5.9
96.96020	16.9
113.02465	25.6
119.03441	8.8
136.01668	8.9
149.04550	9.6
151.03986	9.6
165.05573	7.6
166.05135	14.8
185.23631	6.3
191.05579	12.5
210.04120	6.6
243.22311	5.6
333.20755	34.5
351.21750	100.0
357.13464	13.4
418.55954	7.1
505.67050	6.5
511.99451	6.4
528.65338	7.5
555.28204	10.0
573.88086	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	554.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46682	0.2
59.01367	0.8
59.14102	0.2
61.98821	1.1
70.52837	0.4
78.95904	5.6
85.18601	0.2
97.47734	0.2
104.03549	0.7
150.59882	0.2
152.99561	1.0
168.04269	1.2
218.33438	0.2
219.91417	0.2
222.19678	0.2
224.06934	0.9
242.07947	2.7
279.23260	100.0
280.23621	5.8
477.70642	0.2
498.25674	0.3
504.30942	30.2
505.31384	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	554.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.7
61.98820	0.6
62.96390	0.4
78.95901	24.4
82.65305	0.4
98.19779	0.9
120.53703	0.4
152.99586	3.4
168.04291	3.1
224.06911	8.6
224.09178	0.5
242.07921	2.4
261.22205	0.4
279.23267	100.0
280.23602	6.7
283.40030	0.4
325.52463	0.4
356.15414	0.4
504.30930	65.5
505.31143	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	554.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32895	0.7
58.02980	6.7
58.53335	0.7
59.01373	2.3
61.98818	2.7
70.69283	1.0
70.69630	1.3
74.02466	13.5
74.89928	0.6
80.96513	0.8
82.02980	1.8
86.02473	6.2
87.05637	2.7
96.04501	0.7
96.96004	2.8
97.04067	2.0
99.05637	13.8
101.07195	1.7
102.05605	3.3
106.86018	0.6
109.04033	1.4
111.05584	0.8
112.04053	1.1
123.04659	0.7
123.05621	1.2
125.03562	1.0
127.05151	1.6
128.03543	45.3
129.03877	0.9
135.05640	3.1
137.07190	0.9
141.06732	1.4
143.04617	60.0
144.04971	1.3
145.06168	2.9
146.04611	10.6
150.03160	0.8
153.00055	1.1
153.06682	1.8
154.00911	4.7
155.01266	0.8
156.22099	0.7
165.05562	1.1
166.09866	2.3
167.01807	0.9
167.04549	1.5
167.08253	0.7
177.03368	6.0
179.04631	9.3
181.03246	3.4
182.04028	2.4
184.10941	0.9
185.05649	2.9
192.07755	1.2
197.05673	1.5
210.08823	10.1
222.07224	1.3
228.09892	1.2
254.07808	21.5
257.57150	0.9
265.37964	0.8
266.09668	0.7
272.08859	100.0
273.09268	5.0
281.12146	65.4
282.12494	4.1
306.07550	2.5
506.18985	1.8
554.21283	3.8
555.17609	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	553.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57917	0.2
59.01385	2.8
61.98835	2.3
69.18590	2.3
71.01368	0.3
73.02951	0.2
78.95894	0.5
85.02972	0.2
90.26264	0.2
93.03458	0.3
94.81001	0.2
95.05009	0.2
96.96053	0.3
98.19897	0.4
109.65628	0.2
110.10417	0.2
117.03498	0.4
133.02879	0.3
149.06049	0.3
152.99664	0.3
161.28416	0.2
177.01920	0.5
191.05632	0.8
212.20982	0.2
212.39700	0.2
221.42014	0.2
249.14983	0.4
264.13687	0.6
305.21216	19.2
306.21686	1.1
319.22726	0.5
321.20657	3.5
322.20935	0.4
335.22241	0.3
349.20184	100.0
350.20502	7.8
363.21719	0.7
368.54642	0.2
391.21234	4.5
392.21570	0.3
401.32437	0.2
553.26611	2.6
554.26990	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	8.8
61.98821	0.9
69.34618	6.5
74.02474	14.1
84.04527	1.1
86.02470	5.8
87.05657	2.2
88.04041	0.9
95.22800	0.7
96.96024	1.4
97.04086	1.6
99.05647	12.2
101.07189	1.4
102.05619	2.0
109.04057	1.4
111.05632	1.3
112.04047	1.2
115.32336	0.7
122.06126	0.9
123.05617	1.2
124.03994	1.0
125.03562	1.0
128.03537	42.6
129.03934	0.9
131.39470	0.8
134.33203	0.9
135.05618	2.7
137.02408	0.9
141.06735	1.1
143.04619	61.1
145.06139	2.0
146.04581	4.4
148.05336	0.9
152.07187	1.5
153.06694	1.2
154.00951	2.3
166.09825	1.0
167.01688	1.4
167.04642	1.5
167.08313	1.0
168.99596	1.4
170.03484	0.8
177.03285	1.5
179.04604	12.8
181.03296	3.9
181.06175	1.1
182.04068	10.1
184.10881	1.2
185.05647	2.1
192.07822	1.7
197.05637	2.1
210.08820	10.5
214.03049	2.1
222.07147	1.9
228.09857	1.5
254.07817	20.7
255.08014	1.0
272.08862	100.0
273.09195	3.6
279.02585	0.8
281.12152	54.8
282.12341	3.7
306.07605	1.1
340.20850	0.8
478.19846	1.2
522.18256	1.5
554.21808	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	551.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29543	1.0
59.01086	0.8
59.01377	16.4
61.98837	2.1
66.14998	0.9
71.01385	3.4
74.34749	1.0
75.02322	1.1
79.95743	1.4
80.96538	2.4
81.03434	1.1
85.02948	1.7
87.00848	1.0
87.57446	1.0
89.02451	2.9
91.30180	0.9
93.03481	3.4
101.02433	1.6
104.53873	1.0
105.01897	1.0
106.17961	1.0
120.50697	0.9
127.00366	1.0
152.25916	1.0
168.49403	1.1
173.04608	1.1
177.05560	1.1
191.05592	5.5
192.05928	1.9
235.08249	2.4
253.09238	11.1
255.23267	100.0
256.23758	6.0
407.27777	1.5
551.37006	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81163	0.3
59.01368	1.2
61.98819	1.1
62.60109	0.3
64.18681	0.3
69.77274	1.5
71.01382	0.6
77.69254	0.3
78.95903	7.7
80.16045	0.3
94.33280	0.3
103.76759	0.3
123.24185	0.3
140.38618	0.3
152.99586	1.3
168.04282	1.9
224.06946	1.4
233.22610	0.5
242.08008	3.0
275.20151	0.6
277.21710	100.0
278.22058	6.7
365.08350	0.3
502.29398	31.1
503.29849	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	552.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
61.98820	0.8
66.65615	0.5
69.33217	4.2
76.02634	0.5
78.64414	0.5
78.95903	31.4
83.38246	0.4
91.26099	0.6
98.19932	1.0
103.24529	0.5
122.98505	0.6
152.99580	3.9
168.04291	3.7
224.06964	9.9
242.07953	2.8
277.21713	100.0
278.22070	7.5
502.29404	79.0
503.29755	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	553.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.3
59.01369	3.6
65.49445	1.6
71.01408	2.3
71.27235	1.3
71.51801	1.9
77.14957	1.5
88.04035	2.7
93.03490	2.0
101.02441	2.1
121.02980	3.1
135.04530	7.2
137.02425	3.4
139.13577	1.5
144.54916	1.8
145.02971	3.7
149.02432	3.5
150.03241	4.1
151.00372	1.9
165.05557	6.9
191.05556	2.2
191.07123	2.1
195.06578	5.0
207.06703	2.5
210.12097	1.8
212.04633	2.4
223.07651	1.9
225.05420	2.0
237.05565	3.0
238.06340	2.2
239.03427	2.5
239.07088	9.5
240.04277	50.6
241.04753	2.6
251.07162	2.8
254.05795	2.1
255.06595	12.2
265.05130	8.7
266.05759	4.0
267.06555	19.7
269.08154	2.7
270.08932	3.7
278.05664	2.3
278.25055	1.9
279.06638	3.7
280.07385	2.6
282.09018	4.0
283.06073	25.3
285.07727	2.6
293.08118	2.5
294.08804	3.4
295.06116	61.7
295.09497	3.2
296.06442	3.6
298.08466	63.7
299.08853	4.4
309.07733	4.6
310.08453	60.8
311.08789	5.7
313.10812	82.6
314.11142	4.8
325.07236	4.5
325.10754	47.9
326.11096	5.9
328.09668	1.9
331.04633	2.8
343.11951	9.8
343.15323	1.8
361.12909	97.2
362.13229	10.1
373.12897	100.0
374.08984	1.6
374.13153	7.8
391.13852	2.8
548.15942	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10540	1.5
59.01377	100.0
61.98838	2.1
69.03477	1.8
69.15858	18.6
71.01382	4.0
73.02927	3.2
80.96533	1.9
87.00874	4.6
93.03435	1.9
95.05014	1.7
99.00924	2.5
99.04534	4.6
111.04530	4.6
116.92834	10.5
123.04459	1.9
125.02445	1.7
142.99835	2.0
149.04555	6.4
149.06044	1.7
154.99890	2.9
173.09305	1.8
191.05595	4.2
205.05202	1.9
207.13954	5.1
209.11815	11.3
225.14926	7.9
227.12881	62.7
228.13094	3.8
251.12851	2.3
267.64273	1.8
269.13889	12.3
287.15002	84.5
288.15329	4.7
335.86273	1.9
419.19156	60.8
420.19623	4.4
491.16852	2.2
493.81754	2.3
521.16901	6.4
551.23517	65.2
551.30499	3.9
552.23901	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	551.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51745	0.7
59.01378	6.3
61.98829	1.4
68.57309	0.8
71.01373	2.6
71.52637	0.9
73.02932	1.3
78.73492	0.7
80.96510	0.8
85.02928	0.9
87.00867	4.6
87.15030	0.7
93.03463	0.9
99.00872	0.9
101.02437	1.2
108.02194	1.5
109.02924	3.2
111.04501	0.8
113.02419	0.9
120.17120	0.7
121.02941	3.2
135.04460	1.0
136.05255	0.7
137.02377	0.7
139.00304	1.1
143.04628	0.7
145.02948	1.5
147.04565	1.4
152.01111	1.3
153.01921	4.7
161.02429	0.8
161.04567	0.9
162.03149	1.0
163.03998	5.8
164.39554	0.7
174.03195	2.7
175.03998	16.6
175.05501	1.0
176.04828	3.4
177.05560	2.5
178.02751	0.8
179.03569	1.1
180.04297	9.1
181.04872	1.1
185.65266	0.8
188.03288	0.8
188.04808	3.1
189.05524	7.7
190.06340	22.1
191.05573	1.2
191.07114	15.1
192.04282	1.1
193.05000	8.4
194.05809	4.6
203.07245	1.5
205.08699	16.0
207.06577	5.3
208.07402	15.8
222.08876	1.3
223.09612	1.6
226.07076	0.8
285.66434	0.9
300.42786	0.8
311.09393	1.0
327.12241	1.7
331.04922	0.7
344.12665	3.2
359.14981	100.0
360.15305	6.7
389.16064	2.6
419.19067	1.8
429.10306	1.9
551.13788	1.2
551.24255	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1776
Annotation	Prinsepiol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01876	7.0
57.03442	1.1
59.01383	2.4
60.96869	0.9
61.98808	1.1
69.03446	1.1
71.01392	7.1
71.23753	1.9
71.48792	0.8
72.99310	1.1
73.02940	1.8
78.98569	1.7
79.95741	4.1
80.96085	1.7
80.96522	23.6
81.03444	1.0
83.01387	10.5
85.02956	2.1
87.00874	2.6
94.98098	4.0
96.95935	1.3
97.02950	1.2
99.00898	2.6
99.04518	6.5
101.02448	2.7
111.00848	2.9
113.02455	1.6
121.02962	12.9
124.98798	3.4
127.00378	2.7
128.03532	1.9
129.01958	1.2
134.97580	1.5
135.04477	1.3
142.99860	4.7
143.04620	2.8
148.99139	2.4
152.98552	2.3
154.99869	82.4
156.00186	2.7
164.98604	4.2
173.00914	100.0
174.01245	2.9
180.02525	1.0
206.99629	1.3
217.08682	1.7
225.00696	6.4
229.08737	5.2
247.09763	6.1
250.83040	1.1
254.07835	1.3
272.08893	5.1
279.10568	6.7
281.12033	1.0
283.08344	1.0
315.12390	1.5
317.05408	2.0
389.12421	17.9
407.13409	3.8
441.94705	1.0
521.16492	5.1
522.06042	1.0
551.17853	64.5
552.18036	7.0
552.38434	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47166	2.8
58.99612	12.5
59.01385	34.4
61.98840	15.0
69.95487	4.7
69.95881	6.8
70.60269	2.6
70.68812	2.5
71.01370	6.9
72.51509	2.5
79.95711	2.8
85.02936	4.4
87.00840	3.0
88.51249	2.5
93.03470	7.3
96.95976	3.9
99.04524	29.7
101.02436	3.7
102.98599	100.0
108.07773	2.6
109.97594	2.6
117.03440	5.1
120.99636	11.0
135.04510	5.2
137.02495	3.2
157.00119	3.4
163.00647	9.5
173.04517	5.7
191.05573	6.3
207.12309	3.1
211.13507	16.1
231.10258	3.4
247.13139	3.5
265.14377	3.9
279.10193	3.0
389.19644	7.4
427.89703	3.0
441.38428	2.6
480.46512	2.7
490.34296	5.8
507.34680	2.7
551.18781	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	551.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	8.5
57.03441	2.5
58.45488	0.6
59.01388	4.2
69.46044	3.8
69.46452	1.3
71.01381	3.5
72.99293	0.7
73.02949	3.6
78.95870	0.6
82.08575	0.8
83.01385	15.2
85.02949	2.0
93.03464	0.9
95.05048	0.8
96.96037	1.1
99.00875	2.6
99.04516	5.2
101.02438	1.2
109.06552	0.8
111.00868	3.2
119.05028	61.6
120.05370	1.7
122.03754	0.8
122.81113	0.6
123.00857	1.2
124.98840	3.7
127.00375	2.1
139.11292	3.2
142.99867	4.9
149.02446	1.3
150.03221	3.2
152.98270	1.0
153.34073	0.8
154.99866	83.4
156.00215	2.1
159.04486	1.0
163.04008	29.9
164.04698	0.8
165.05573	3.1
169.12366	1.1
173.00906	100.0
174.01234	2.6
175.03967	0.9
181.12392	1.5
181.80038	0.8
183.10237	5.2
185.06160	0.7
195.06628	1.7
225.11337	5.2
229.08659	4.0
243.12335	4.4
247.09843	2.1
279.10495	0.7
337.10873	1.7
376.26117	0.7
387.16568	3.4
389.12424	19.2
390.13089	1.1
407.13525	2.7
473.16177	1.2
489.17929	1.0
503.17166	2.4
504.17487	1.3
521.16534	4.0
551.18237	17.6
552.18665	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	551.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90847	0.2
53.97239	0.2
55.91672	0.2
59.01377	1.0
65.03973	0.4
71.01376	0.5
71.51478	0.3
72.99305	0.6
73.02962	0.4
78.78014	0.2
79.86933	0.2
85.02939	0.5
87.00842	0.3
88.98807	0.2
93.03458	71.1
94.03793	1.8
101.02461	0.6
113.02473	0.5
121.02971	1.0
129.24452	0.2
134.03763	0.5
137.02444	100.0
138.02776	2.8
146.97626	0.2
162.35052	0.2
165.01894	0.5
178.02589	0.2
179.03513	0.3
191.05605	0.6
193.05078	0.7
293.79904	0.2
311.97931	0.2
322.03088	0.2
351.21756	1.2
402.45636	0.2
404.89462	0.2
413.10861	11.2
414.11197	0.8
431.11987	1.2
512.53326	0.2
551.13916	3.9
551.22528	0.3
552.14624	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27284	0.4
51.95001	0.4
59.01390	2.7
60.56211	0.5
69.03461	0.9
69.59484	0.5
71.01373	1.8
73.02967	0.6
75.49114	0.4
81.10895	0.4
81.12133	0.5
85.02945	2.2
87.00877	1.0
89.02450	1.2
93.03456	0.4
95.01387	1.3
96.95964	0.5
97.02948	0.8
99.00876	0.8
101.02454	1.2
102.17495	0.5
103.14104	0.5
108.02172	52.3
109.02983	11.9
113.02460	1.6
121.02954	24.3
121.07032	0.5
123.00840	0.6
123.04498	0.8
134.03738	0.6
135.04524	1.4
152.01147	100.0
153.01883	4.7
163.04024	4.1
175.03986	0.7
177.01941	1.2
179.03506	0.9
191.05560	1.0
205.05087	0.6
207.02893	0.8
229.53337	0.8
297.06146	1.3
315.07184	1.4
429.10339	34.1
430.10703	2.1
551.14020	73.9
552.14514	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	549.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
66.46896	0.1
69.61839	0.8
78.95902	1.1
79.95732	3.0
85.02941	0.2
89.02451	0.2
92.26265	0.1
96.96005	100.0
97.95933	0.3
98.19985	0.2
101.02464	0.1
116.92894	0.2
157.65761	0.1
191.05634	0.4
222.06393	0.1
230.64539	0.2
231.49008	0.1
301.03580	0.2
567.85431	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03452	1.9
59.01380	100.0
60.01725	0.5
61.98825	1.1
69.03445	0.6
69.48511	1.0
69.48942	0.8
71.01384	8.4
71.59071	0.3
72.99302	0.5
73.02957	2.1
73.85963	0.3
80.96520	0.5
83.01385	2.3
85.02946	6.4
87.00887	0.9
89.01907	0.2
89.02461	1.2
90.37489	0.2
93.03481	0.4
95.01385	1.4
96.96040	0.8
97.02970	0.6
99.00902	1.6
99.92603	0.4
101.02445	4.5
111.00896	0.4
112.01699	0.4
113.02454	6.5
115.04020	0.4
115.92084	1.8
116.92143	0.3
116.92895	0.8
125.02489	0.9
127.11279	0.7
135.04555	0.7
143.03485	2.2
154.99913	0.4
159.03043	0.4
161.04579	1.3
164.58981	0.3
171.13930	1.1
173.00957	1.0
191.05655	0.6
279.23340	0.4
297.24405	0.3
299.25879	2.5
324.23309	0.3
345.30093	12.3
346.30328	0.6
441.32626	0.4
459.33725	0.7
489.34314	30.9
490.34879	2.9
507.35339	8.0
507.43008	0.4
508.36096	0.9
549.16718	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.03448	1.9
58.00560	0.2
59.01379	100.0
60.01710	0.8
63.52764	0.2
69.03468	0.6
69.18453	2.3
71.01383	15.8
72.99306	0.6
73.02950	4.1
75.00902	0.3
80.55727	0.2
83.01392	2.6
85.02951	9.0
87.00886	0.8
89.02453	2.2
89.77357	0.3
93.86372	0.2
95.01403	2.1
96.96006	0.3
97.02953	0.8
99.00887	1.8
101.02441	7.9
105.45915	0.2
110.51854	0.2
111.00900	0.7
112.01736	0.3
113.02452	10.6
115.92106	0.9
116.92872	0.3
119.03484	0.4
124.01702	0.3
125.02468	0.9
127.11311	0.5
135.04497	0.3
143.03546	1.6
159.03033	0.8
161.04556	3.4
171.13876	0.6
175.50020	0.2
246.54883	0.2
299.25848	1.8
319.49481	0.2
327.28687	0.2
345.25861	0.4
345.30066	6.2
346.11646	0.3
346.15668	0.2
346.30481	0.6
387.31119	0.4
441.31934	0.4
459.33261	0.3
489.34314	36.1
490.34647	3.8
507.35339	19.0
508.35712	2.1
549.36432	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.0
61.98831	1.2
71.01374	5.3
73.02929	2.0
83.01416	0.8
85.02943	1.8
87.00852	1.0
89.02414	1.2
95.01351	1.0
96.95989	2.0
97.02966	0.8
101.02415	3.2
113.02446	2.4
119.03456	1.0
120.99671	1.2
146.90996	0.7
153.00093	1.2
154.00946	3.7
155.01625	0.9
173.04532	1.0
181.03282	5.2
181.04688	1.1
182.04079	5.5
191.05608	3.0
195.04788	3.5
209.06358	0.8
214.03056	1.3
239.07463	26.8
283.10074	0.9
297.11685	6.8
298.12427	67.7
299.13171	38.3
300.13492	3.1
351.21875	4.9
387.14401	0.9
461.18488	100.0
462.18857	8.4
487.21680	2.4
513.27112	16.2
514.26910	1.0
517.14551	1.0
549.19977	44.6
550.20154	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	549.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39349	0.8
55.41326	0.7
59.01371	2.9
61.33575	0.7
61.98824	3.4
69.79574	0.8
77.38387	0.7
80.96510	1.6
87.63617	0.9
91.15797	0.8
93.03463	5.9
96.96017	0.9
111.00863	1.5
119.05024	50.6
120.05373	2.4
121.02914	1.6
122.03738	6.6
123.00891	7.3
134.03699	2.0
135.04568	0.9
137.02460	2.7
138.03200	0.9
139.00369	1.8
149.06093	6.9
150.06827	1.1
150.80219	0.8
151.00374	3.7
153.01875	1.5
162.06870	0.9
162.10345	0.8
163.00328	3.1
163.07657	0.8
165.01921	34.7
166.02585	1.5
172.55243	0.7
176.08441	3.3
177.01929	0.9
177.09135	1.0
178.02698	2.5
179.03455	0.9
180.04282	34.2
181.04616	1.8
183.31439	0.7
190.09967	1.9
191.10765	14.3
192.04312	0.8
192.11008	0.9
193.05042	9.2
195.06612	100.0
196.06949	3.5
205.08719	1.6
207.06670	1.3
210.01645	4.6
249.14954	11.3
269.04526	2.9
271.06128	6.0
295.62015	0.9
299.09186	16.9
300.09525	1.3
301.10794	27.5
302.11212	1.6
368.19293	0.9
494.34109	0.8
549.24115	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	549.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44500	0.9
55.01878	5.8
57.03434	1.4
59.01391	6.0
61.98817	1.6
67.01886	1.0
69.03454	1.0
69.39001	2.8
69.39417	5.4
71.01382	8.7
72.99318	1.4
73.02935	2.4
73.23888	0.9
79.95724	3.8
80.96512	9.4
83.01384	11.0
85.02950	4.0
87.00879	2.1
89.02470	1.1
93.03442	1.9
94.98096	1.9
96.95988	1.0
96.99309	1.9
97.02956	4.8
99.00883	6.6
99.04520	15.1
100.81979	1.1
101.02377	1.8
107.04977	1.2
109.02924	2.2
110.00115	1.3
111.00879	2.2
111.04551	1.1
116.92823	1.1
119.05042	1.7
121.06561	1.0
123.00871	1.3
124.98801	12.8
127.00391	1.1
129.01930	2.0
135.04506	2.7
142.99858	25.9
147.04512	1.4
149.06078	1.2
154.99861	61.9
157.06529	1.8
159.08119	1.3
164.98637	1.2
167.08527	1.1
171.08121	1.5
173.00893	23.6
179.08704	1.1
181.06554	1.7
183.08113	2.9
185.06075	1.9
187.07632	1.6
189.09218	1.3
191.05658	2.1
197.06129	1.3
199.07649	1.4
201.09125	1.5
203.07040	1.1
206.99858	1.1
207.08131	1.3
209.06049	7.1
211.07492	1.2
215.07056	1.9
221.09691	2.5
225.00720	2.0
225.05649	0.9
225.11206	1.3
227.07111	9.6
239.10802	1.1
245.08104	4.9
255.10042	1.2
267.10226	2.3
285.11478	1.5
317.05563	1.5
330.03772	1.3
387.18155	1.6
419.09695	3.6
449.10818	2.4
505.16934	1.2
505.26068	1.3
519.15045	29.9
520.15247	3.2
549.16162	100.0
550.16473	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	549.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.5
60.28831	0.2
61.98831	0.6
68.77842	0.2
69.71353	0.6
69.71762	0.6
69.96404	0.2
74.16546	0.2
77.03977	1.6
93.03479	0.5
98.19970	0.3
114.23122	0.2
119.05028	0.9
120.05383	0.4
121.02953	100.0
122.03284	2.3
128.76335	0.2
137.02406	0.5
147.04526	0.5
165.01923	53.6
166.02252	1.5
172.04854	0.2
180.05821	0.5
181.06581	2.4
186.83038	0.2
193.06630	0.3
197.06068	2.1
199.07707	0.2
206.07437	0.2
207.04504	0.9
207.08072	0.5
223.03984	0.3
225.05573	1.6
256.09015	0.3
257.09610	0.7
261.74182	0.2
297.07681	0.3
313.07025	1.2
357.06061	0.8
368.19440	0.4
373.10767	0.3
383.07831	1.0
417.09610	2.3
505.11349	1.5
549.10376	25.9
550.10822	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	549.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	9.6
56.41213	0.5
57.03454	0.9
57.84753	0.6
59.01372	3.6
61.98820	1.1
62.15599	0.6
63.96238	0.8
69.03472	1.5
70.34318	1.1
70.34673	1.6
71.01377	8.8
72.99321	0.9
73.02939	2.1
77.19400	0.7
78.98581	2.8
79.95733	18.3
80.96514	41.5
83.01385	12.5
85.02948	3.4
87.00880	2.4
93.03484	1.2
94.98085	7.7
96.96000	1.7
96.99323	1.2
97.02939	2.2
99.00901	3.2
99.04516	5.9
101.02438	2.0
106.98101	1.7
107.05010	0.6
109.02967	1.5
111.00883	2.6
111.04556	0.6
111.22706	0.6
113.02437	0.9
115.92091	1.4
122.97582	1.4
124.98796	4.2
125.02457	2.2
126.15623	0.6
127.00372	2.7
129.01900	0.9
134.97603	3.4
135.04535	1.4
136.99150	1.0
137.99446	0.6
142.99849	7.3
147.04510	0.8
148.99149	2.8
149.06047	1.1
152.98618	3.0
154.99858	86.3
156.00175	2.1
159.08078	0.8
161.04596	0.7
164.58641	0.6
164.98602	5.9
171.08173	1.2
173.00897	100.0
174.01274	1.2
175.04161	0.9
177.05637	0.7
178.21899	0.6
181.06610	1.2
183.08124	1.2
184.05272	0.9
187.07584	0.7
191.05560	1.6
195.08072	0.6
197.06036	1.0
200.25430	0.6
201.09113	0.8
206.99646	1.2
209.06024	2.2
215.07207	0.6
221.09738	0.7
225.00710	7.4
227.07133	3.7
241.00215	1.8
245.08189	2.6
295.09897	1.2
299.04358	2.0
313.10733	1.1
317.05511	3.6
325.10861	0.7
342.36978	0.7
375.10800	0.7
387.10797	4.0
405.11691	1.8
410.06384	0.7
413.11142	1.0
419.09763	1.1
487.16190	0.8
519.15161	7.6
549.16309	87.6
550.16595	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	548.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01844	0.6
57.03466	0.8
59.01381	43.2
61.98830	100.0
71.01374	4.4
71.52792	0.9
73.02957	0.8
76.23045	0.5
85.02960	2.0
87.00867	1.1
89.02464	1.7
93.03481	2.3
94.03791	0.8
96.95991	0.6
101.02441	2.8
113.02477	2.0
120.99639	0.8
125.02499	0.8
149.06104	2.3
161.04477	0.8
161.05972	0.8
162.03265	0.7
173.04559	1.5
174.06889	1.0
175.57829	0.6
177.09265	0.7
184.17152	0.6
189.09183	1.2
190.09525	0.7
191.05649	2.8
194.00832	0.5
203.06967	0.6
229.44679	0.7
247.13435	0.7
248.14104	0.7
263.13025	1.7
264.13385	1.5
345.30280	1.0
381.23163	0.6
399.23990	1.8
441.24683	0.7
488.33218	1.0
489.34460	1.7
507.35562	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50298	0.7
55.01871	1.0
57.03447	1.7
58.00590	0.7
59.01378	100.0
60.01719	4.3
61.98830	99.8
64.01194	0.6
70.60341	1.3
71.01385	11.5
72.99298	0.6
73.02940	2.7
83.01399	2.2
83.05031	0.7
85.02947	7.1
86.03314	0.6
89.02449	2.2
93.03492	1.8
95.01389	1.5
96.95962	0.9
97.02965	0.8
99.00896	1.4
101.02414	7.1
102.02789	0.8
113.02431	5.8
114.02785	0.8
119.03497	1.1
134.74170	0.6
137.02464	0.6
143.03496	2.2
146.16968	0.6
161.04518	2.6
162.03270	1.0
173.04573	0.9
177.05588	0.7
191.05547	3.5
192.05940	1.0
203.28217	0.7
210.77954	0.7
343.28323	2.6
344.28870	3.3
345.30206	3.3
399.23859	1.2
487.32626	3.3
488.33069	15.3
489.34229	6.1
505.33627	1.2
506.34088	5.8
507.35266	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	548.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.9
59.01379	49.6
60.01716	1.7
61.98829	100.0
69.33611	4.2
71.01385	7.7
73.02952	2.8
82.44472	0.5
83.01401	1.0
85.02957	4.0
87.00880	1.4
89.02455	1.7
93.03462	3.4
94.03781	0.7
96.96006	0.9
99.00871	0.9
101.02441	4.9
113.02442	4.7
116.92941	0.6
119.03587	0.6
119.05054	0.7
120.64627	0.6
148.05322	2.2
149.05661	0.8
161.04567	1.6
163.07614	1.1
164.07983	0.7
173.04547	1.3
177.09276	0.5
187.07588	0.6
191.05647	4.8
192.06038	1.5
193.06052	1.5
216.07497	0.6
225.68596	0.6
248.14078	0.6
254.55029	0.6
329.13989	0.6
345.29987	0.8
351.26480	0.5
399.23969	1.8
441.24985	2.2
444.84610	0.7
487.33014	1.4
488.33035	4.5
489.25122	0.9
489.34454	3.3
506.34430	2.2
507.35327	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85447	3.0
55.01846	4.0
59.01380	28.5
61.98831	8.0
65.00318	9.2
69.44858	26.2
69.81003	3.4
71.01379	13.6
73.02953	4.8
74.07880	2.8
75.17500	3.3
80.05913	3.0
83.01394	5.6
85.02966	9.6
86.10977	4.4
87.00862	4.2
89.02445	7.0
92.57175	3.2
93.03461	7.9
95.01337	3.6
96.96018	6.9
97.02986	4.6
98.19941	7.6
99.04541	7.7
101.02437	6.5
107.01400	10.2
109.02954	6.3
109.19610	3.2
113.02454	4.5
115.92075	4.6
120.99638	9.8
121.02969	14.3
123.00863	3.5
124.98794	5.8
125.02444	3.4
135.04581	3.7
136.01663	28.0
137.02443	8.0
142.99837	9.8
148.98621	3.7
151.00377	54.6
151.04007	39.7
152.00816	3.9
154.99890	6.4
159.04541	5.1
161.04559	4.0
163.04031	3.8
166.02690	28.9
173.00916	3.8
173.04544	6.6
175.00357	10.0
175.03978	4.3
178.99858	7.1
179.07156	4.4
181.05066	35.7
185.23607	3.5
191.03993	3.0
191.05609	17.6
196.93967	3.3
209.32262	3.1
227.03435	4.7
255.02989	11.0
265.14474	7.7
266.14801	4.3
271.02441	17.2
300.02701	48.0
301.03488	100.0
302.03928	4.7
349.67087	3.7
357.09573	10.4
372.12332	5.0
382.13126	4.0
387.10785	8.1
387.14615	82.1
388.14807	5.2
411.41595	3.8
427.19449	4.6
429.20169	4.0
446.90710	3.7
461.17856	6.0
505.09897	96.8
505.17340	5.1
506.10214	7.5
519.15173	32.6
549.15973	45.7
549.28674	11.3
550.17297	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
57.03446	1.9
58.00589	0.4
59.01377	100.0
60.01716	0.7
61.98832	1.3
69.03455	0.7
69.19376	2.1
69.46389	0.2
71.01379	16.7
72.99295	0.5
73.02949	4.5
75.00880	0.2
79.57496	0.2
83.01392	2.6
84.02177	0.2
85.02950	9.4
86.00110	0.3
87.00877	1.3
89.02451	3.0
91.55470	0.2
93.03483	0.3
94.39228	0.2
95.01382	2.0
97.02956	0.7
99.00877	1.9
101.02441	8.6
105.86153	0.2
111.00891	0.6
112.01700	0.3
113.02450	10.7
115.04019	0.4
119.03508	0.7
119.19139	0.2
124.01670	0.2
125.02463	0.7
129.01965	0.3
130.34081	0.2
143.03505	1.8
159.03023	1.0
161.04550	5.1
169.12398	0.4
171.13908	0.6
179.05617	0.5
191.03999	0.2
191.05518	0.9
192.06009	0.2
226.06242	0.2
241.25362	0.2
279.23245	1.0
297.24420	0.7
315.18057	0.3
325.27502	0.4
333.19174	0.4
343.28525	4.7
344.28680	0.3
385.29810	0.3
399.75638	0.2
413.29382	0.4
439.30200	0.3
457.31638	0.4
469.31363	0.4
487.32733	31.8
488.33084	2.8
505.33817	19.9
506.34070	1.8
547.34937	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93346	0.6
59.01073	0.8
59.01378	23.0
61.98829	100.0
69.29980	4.3
70.35248	0.5
71.01376	6.9
73.02946	6.4
78.95885	0.9
80.53752	0.5
83.01401	2.3
85.02962	1.1
87.00867	0.7
89.02464	1.6
93.03465	1.4
94.31975	0.5
95.01369	0.8
96.48974	0.6
97.02973	0.5
101.02444	8.0
101.40802	0.6
108.55326	0.5
113.02412	3.2
119.03510	1.0
125.02461	0.6
131.03586	0.6
135.04486	0.7
143.03523	1.2
149.04590	1.4
149.06096	1.6
150.06464	0.6
161.04532	2.7
173.04590	1.1
189.09224	0.6
191.05591	2.5
251.14301	0.7
263.13074	1.0
264.13617	3.3
265.14166	1.9
324.38943	0.6
327.19888	1.3
346.26645	0.5
353.13065	0.6
488.33234	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	4.6
57.03465	5.3
59.01375	77.8
61.98829	70.4
71.01381	13.7
71.52048	5.7
73.02946	7.8
78.95894	11.1
79.56361	4.4
83.05026	31.3
85.02958	10.7
87.00877	10.4
89.02441	9.6
93.03442	47.0
96.96918	4.6
97.06538	6.1
101.02442	11.2
109.02933	9.5
111.04466	9.5
113.02395	7.9
114.45825	4.4
115.92086	6.7
119.05025	8.2
121.53590	6.2
122.03715	10.0
134.03717	15.9
135.04523	15.4
145.03026	5.5
148.05362	6.3
149.06053	47.1
152.99632	4.9
159.04543	10.0
160.05263	5.6
161.06004	9.7
162.06801	5.2
171.08101	9.3
173.04532	30.9
173.05951	9.3
174.06860	37.9
175.07680	6.3
177.09157	16.6
181.88882	4.7
188.08434	6.1
189.09157	43.9
191.05605	15.9
197.11748	5.6
203.01500	4.9
215.10779	7.1
239.07066	12.3
240.07713	5.1
245.11766	5.6
247.09726	8.4
247.13229	7.6
248.14104	10.1
253.09209	6.0
263.12854	100.0
277.10754	6.4
285.03821	6.9
311.22308	29.2
362.11627	5.7
370.14029	8.1
449.14310	7.0
487.32541	10.3
496.24802	37.3
505.33850	9.5
511.26886	30.2
547.19629	15.7
547.27258	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	547.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58288	0.8
61.98823	1.6
77.17733	0.8
78.95946	0.8
98.19842	1.5
99.04517	1.5
109.23796	0.8
129.01964	1.0
147.03003	4.6
165.33484	0.7
173.25748	0.7
234.86847	0.8
311.27032	0.7
399.25375	100.0
400.25720	9.6
407.42484	0.8
491.58514	0.8
547.21814	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28736	0.7
59.01368	2.3
61.98821	3.7
67.01864	0.8
78.95910	1.3
93.03461	15.4
94.54858	0.9
95.01382	1.5
117.03471	2.0
119.05029	100.0
120.05355	2.5
122.03748	1.4
123.00908	9.6
133.06619	1.6
134.03761	4.7
135.04570	1.1
138.03239	2.2
143.04900	0.8
148.05267	1.1
149.06070	2.2
149.99617	0.9
151.00412	2.0
153.05493	1.8
159.04509	1.3
159.28668	0.8
161.06076	2.9
163.07724	1.1
165.01947	8.1
173.06017	2.4
174.06841	2.6
174.36316	0.8
175.07611	1.2
176.08485	1.0
180.04285	4.0
187.07576	1.4
188.08470	1.5
189.09206	1.5
193.66988	0.9
195.06683	4.9
197.04535	1.7
203.10706	1.8
215.10709	1.2
215.14218	0.9
225.05583	1.5
225.09062	1.3
233.15462	5.9
239.03571	1.3
240.07936	5.0
247.13289	4.4
249.15051	1.9
251.07072	1.4
252.08055	0.9
253.08690	3.6
257.04572	3.4
261.14822	1.4
265.08691	1.0
267.02921	1.5
267.10260	5.1
268.11057	2.7
269.04553	8.8
272.06845	1.1
273.14746	1.6
280.11072	2.7
284.06781	2.0
285.07306	1.3
287.09290	2.8
293.08185	1.6
294.12628	4.0
297.07697	4.0
299.09235	52.1
300.09555	3.1
305.04224	0.9
309.14938	13.7
313.07532	1.3
326.08081	1.0
349.17886	1.8
351.16083	1.6
352.16830	4.5
365.17371	1.1
366.18036	2.7
367.19113	88.7
368.19476	6.2
393.17230	1.9
423.14352	1.1
453.19046	2.2
499.17377	1.8
511.26926	3.6
529.22308	9.6
547.23389	19.5
548.23749	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57213	0.9
59.01372	2.7
61.98822	10.1
67.42161	0.9
69.62663	6.7
78.95927	1.2
80.96517	2.4
93.03459	13.9
95.01394	1.6
98.20605	1.2
107.35548	1.0
113.26129	1.0
117.03488	2.3
119.05024	100.0
120.05341	1.9
121.02953	1.6
122.03734	1.7
123.00878	9.8
128.03503	1.4
134.03743	4.5
135.04530	1.6
136.05347	1.0
138.03168	1.8
143.04715	1.2
148.05328	1.5
149.06076	4.6
151.00330	1.5
153.05431	1.3
161.06096	3.6
162.06802	1.5
165.01910	5.9
173.06049	2.4
174.06824	2.4
175.07535	1.1
176.08318	1.5
180.04280	3.1
189.09215	3.0
191.10793	5.3
195.06638	5.5
197.04524	1.4
203.10828	1.1
225.05611	2.0
238.06232	1.1
240.08061	5.1
241.05106	1.2
247.13377	3.4
249.14949	4.2
251.25153	1.1
253.08649	2.4
257.04514	3.8
265.08652	1.4
266.09735	1.0
267.02997	6.6
267.10315	4.3
268.03741	1.5
268.11066	1.6
269.04535	9.8
271.77182	1.1
280.11093	1.3
281.04468	1.1
282.05289	4.2
284.06799	2.7
287.09467	2.1
293.08401	1.3
293.12103	1.2
294.12524	4.8
297.07651	17.6
299.09222	54.2
300.09570	3.1
309.14929	9.6
310.15271	1.3
349.18076	2.2
351.15909	1.8
352.16635	3.3
366.18411	1.5
367.19104	87.9
368.19427	6.5
393.16971	3.2
453.19351	1.9
473.52493	1.2
499.17612	2.9
511.27145	1.5
514.19708	1.2
529.22388	9.4
547.23395	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	545.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
56.87788	0.7
57.03436	1.9
58.00586	1.4
59.01380	26.5
60.99296	1.8
61.98822	2.1
64.47377	0.8
67.01884	9.0
69.03452	3.4
69.36903	5.4
71.01380	15.0
73.02921	3.5
81.03458	2.6
83.01376	1.1
83.05025	2.6
85.02950	10.6
87.00884	12.4
87.04524	1.2
89.02448	9.5
93.03461	51.9
93.84985	0.7
94.03813	1.3
95.01418	1.5
97.02958	1.8
99.00876	1.9
99.04524	1.3
101.02445	12.6
107.01405	0.7
109.02935	1.3
111.00819	0.8
111.04526	7.9
111.08154	14.2
113.02461	5.5
119.03496	3.0
123.00881	1.8
125.02456	8.4
125.09771	0.8
127.04048	1.2
129.01915	1.3
131.58315	0.6
137.02419	1.3
142.60083	0.8
143.03528	1.6
151.11269	1.2
153.12827	1.8
155.03502	2.8
161.02515	0.9
161.04544	4.9
169.01405	8.3
169.12343	5.4
170.01732	0.9
171.02939	1.3
171.10208	1.6
173.04546	37.9
174.04922	0.8
179.05573	1.2
181.12344	1.2
182.12621	0.8
186.06845	2.4
187.07561	0.9
191.05611	100.0
192.05980	2.9
197.11826	66.5
198.12213	2.8
199.13370	5.2
200.04774	1.2
201.05612	1.3
209.15459	1.3
211.07785	1.5
211.13387	6.6
214.06355	3.2
215.07138	10.2
225.14842	0.8
227.12845	1.2
229.08693	3.0
233.06627	7.1
247.20589	0.9
251.16498	1.7
253.09286	36.0
254.09619	1.3
256.07297	0.8
263.20135	4.1
265.18036	2.4
273.18539	1.6
291.19653	24.0
292.20026	1.2
309.20697	80.1
310.21088	4.4
371.14856	0.9
469.05389	3.5
469.55783	1.6
485.31265	1.7
503.32230	0.8
545.20416	6.6
545.27582	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30895	1.1
57.03451	2.1
59.01381	88.4
60.01686	1.6
60.99315	1.9
61.98830	100.0
67.01896	2.5
69.03426	1.2
71.01375	9.0
73.02950	1.8
85.02949	5.9
87.00887	6.7
87.47087	1.0
89.02438	1.5
93.03458	16.3
94.03778	3.4
95.01389	1.8
99.00924	1.2
101.02444	4.1
111.04493	2.1
113.02457	3.3
161.04514	2.9
169.01538	1.6
173.04550	10.1
174.04837	3.6
186.06873	1.3
191.05614	33.8
192.05919	10.8
215.07079	5.5
216.07480	4.4
229.08664	1.1
233.06644	3.7
235.75528	1.0
237.83322	1.1
256.07278	3.5
257.07742	2.2
397.22272	3.4
439.23340	6.8
486.31210	2.7
487.32669	2.4
505.33768	2.3
546.20367	4.7
546.27942	2.0
547.20746	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	547.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	36.3
61.98823	4.7
69.44276	11.9
69.44692	5.5
70.91981	2.4
71.01375	9.3
73.02940	6.3
79.95748	2.0
80.96503	2.2
81.16750	2.7
83.01397	2.2
85.02939	3.9
87.00867	2.3
89.02444	7.5
93.03426	2.5
93.10280	2.4
96.96011	7.4
98.19972	4.6
101.02434	7.1
102.98601	4.0
116.92873	2.4
120.99660	5.2
130.88503	2.4
135.04550	2.5
143.03543	2.7
149.04521	4.0
152.79326	2.1
161.02385	5.9
164.04793	68.5
166.06313	3.1
170.00401	5.9
177.05612	4.8
178.98137	2.8
179.01746	4.0
179.07135	100.0
179.98872	15.8
180.07416	5.9
180.99658	38.2
181.03287	6.1
190.99831	4.4
191.05653	8.3
194.00412	6.4
195.01224	37.8
196.01976	61.1
206.02206	7.4
207.02878	2.5
209.02722	13.7
210.03282	2.6
211.04326	82.8
212.04651	3.6
223.62544	2.3
234.38167	2.1
265.14389	17.1
296.10785	7.7
341.07300	3.5
341.12393	36.9
342.12805	4.2
358.07199	5.2
373.09592	47.9
386.95596	2.6
415.19760	3.5
427.19696	14.6
459.16803	6.9
472.85571	2.3
547.16833	7.7
547.27496	37.0
548.27875	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88107	0.4
57.03426	1.5
59.01375	19.8
60.99286	1.8
61.98816	1.5
67.01888	7.1
68.98495	0.5
69.03465	3.1
69.52349	3.0
71.01379	5.6
71.05038	0.5
73.02945	1.2
81.03460	1.6
83.01389	0.6
83.05030	1.2
85.02954	9.6
87.00876	11.7
89.02438	0.6
89.64230	0.5
93.03456	46.8
94.03809	0.7
97.02935	0.9
99.00865	1.0
101.02441	1.8
105.28761	0.5
109.02966	1.6
111.04519	5.9
113.02415	2.0
116.74883	0.6
122.41172	0.5
125.02472	0.8
127.04002	2.2
129.01929	1.2
135.04526	0.5
136.01659	0.6
137.02458	1.0
154.02705	0.9
155.03487	2.0
158.03760	0.8
158.07353	1.0
159.04486	0.8
161.04543	0.8
171.03017	0.9
171.04512	0.6
173.04549	29.9
173.06004	1.4
186.06796	2.4
187.07588	2.6
191.05602	100.0
192.05962	2.7
200.04788	1.8
201.05580	1.4
201.09155	0.9
211.07642	0.9
212.08327	0.7
214.06366	3.4
215.07108	12.0
216.07564	0.6
227.03552	0.5
229.08665	2.2
230.09331	0.8
231.10167	0.6
232.03757	0.5
233.06593	5.2
251.16460	1.1
253.09152	1.1
255.06560	1.1
256.07422	5.4
262.84354	0.5
271.47131	0.6
272.77448	0.5
309.20724	2.2
353.13644	0.7
371.14917	1.5
485.31195	1.6
503.32315	1.0
545.20129	10.9
546.20599	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99601	17.1
59.01373	2.1
64.28825	0.1
71.01373	0.2
74.99093	2.1
85.02943	0.4
87.00882	0.3
93.03452	0.8
96.96023	0.2
99.04511	2.7
100.04826	0.2
101.02419	0.3
101.48348	0.1
102.98591	100.0
103.99000	1.0
109.02993	0.1
113.02484	0.1
120.99644	2.6
127.34841	0.1
163.00691	9.5
164.01057	0.2
164.04779	2.2
165.05243	0.1
173.04514	0.6
179.07126	1.6
191.05609	2.9
193.78250	0.1
257.72653	0.1
263.68570	0.1
267.06955	0.2
283.13434	0.2
295.10004	0.4
327.12479	0.2
327.15930	0.2
349.56696	0.1
353.13889	0.3
361.06238	0.2
371.15045	0.5
457.15393	0.4
482.05951	0.2
515.66077	0.2
539.98926	0.1
545.20496	4.2
545.28143	0.3
546.20941	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88222	1.0
58.99617	1.4
59.01387	7.0
61.46112	1.0
61.98808	1.9
67.01883	1.5
69.03438	3.9
71.01388	7.7
72.24978	1.1
73.02937	5.2
80.02677	24.1
81.03417	1.4
83.01357	1.4
83.04980	1.1
85.02946	7.5
87.00884	15.1
89.02446	12.6
91.97792	1.1
93.03467	8.0
94.57554	1.2
95.17594	1.1
96.96014	1.4
97.02937	1.1
97.95164	1.1
98.20603	2.8
99.00883	2.9
99.04523	6.7
101.02457	1.1
101.06052	1.8
102.71519	1.1
102.98598	11.1
103.03993	1.9
105.15749	1.2
111.04533	1.6
113.02467	1.8
117.01948	2.9
121.06597	1.5
125.02446	4.9
131.03467	2.8
132.78854	1.4
149.04556	39.4
157.40930	1.1
161.04549	8.7
169.01535	1.7
173.04543	5.6
179.05605	20.0
189.12848	64.0
190.13179	2.9
191.05609	43.4
192.05739	1.4
193.04935	1.3
207.13861	13.2
229.53133	1.3
233.11815	23.6
251.12874	100.0
252.13240	4.9
255.38359	1.2
273.68527	1.2
283.13391	1.7
351.06927	1.3
353.13931	4.7
365.15866	3.4
371.14883	4.0
413.18146	97.2
414.18460	6.6
545.22284	63.3
546.22571	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	545.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.9
61.98827	0.6
65.21246	0.6
69.67968	2.8
71.01377	1.1
73.02949	1.1
75.60685	0.5
80.96518	1.3
85.02963	1.8
87.00858	0.6
93.03478	0.9
96.95996	0.6
98.19958	0.7
101.02454	0.7
109.02995	0.6
110.73451	0.5
113.02458	0.6
118.98052	1.4
119.04971	0.6
125.02454	1.0
135.04497	0.6
137.02454	1.4
139.06123	0.5
145.02904	0.6
162.03198	0.9
163.04015	1.9
164.04788	96.1
165.05154	3.1
169.01405	0.9
173.04523	1.0
177.05600	0.7
179.07132	100.0
180.07503	2.8
190.82365	0.5
191.05618	5.4
191.07243	0.8
214.65442	0.5
221.08151	0.6
225.00774	0.6
278.28183	0.6
323.11273	2.1
341.12390	10.9
342.13028	0.6
345.68100	0.5
353.06628	1.4
383.13504	5.0
527.17755	0.7
545.18909	3.0
545.27588	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	545.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01382	6.3
61.98832	1.8
66.91891	0.5
69.61700	2.2
69.62116	0.9
69.65292	0.6
71.01386	2.4
72.99300	0.6
73.02945	1.2
80.96536	1.3
85.02960	1.3
87.00906	0.6
89.02434	1.0
93.03485	0.9
96.96007	1.4
101.02420	1.6
113.02447	0.7
118.98109	1.3
125.02439	0.7
135.04549	2.3
136.15645	0.6
137.02432	0.9
145.03000	0.9
161.04594	0.7
163.04033	2.5
164.04790	100.0
165.05122	4.0
173.04626	0.8
177.05589	0.9
178.06381	0.6
179.07127	99.8
180.07437	3.5
191.05638	4.8
193.05115	1.0
221.08165	0.7
283.15497	0.6
295.06046	1.5
323.11179	2.2
339.05170	0.8
341.12350	10.2
353.06418	0.9
383.13589	7.0
527.17822	0.6
527.72559	0.6
545.18427	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	6.4
61.98828	100.0
71.51943	3.1
71.52279	2.9
74.88613	2.8
75.48161	2.8
93.98547	2.8
101.30057	3.0
108.89277	2.4
171.10370	3.9
201.67754	2.7
215.71420	2.7
217.16975	2.9
237.05142	2.8
279.67178	3.0
317.67294	3.1
396.51282	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	545.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94926	1.5
61.98816	2.7
62.96401	1.7
69.22139	15.9
78.95901	100.0
99.92568	22.4
110.61455	1.8
110.98532	11.9
115.92072	30.1
116.92852	13.7
125.02412	6.5
134.18927	1.5
151.01698	2.2
152.99655	2.0
155.95226	1.6
164.90469	2.1
164.99571	1.9
167.01144	7.2
167.63036	1.6
169.01398	5.8
178.88388	20.7
179.89215	45.1
180.90027	14.5
181.90804	1.5
189.01987	1.7
191.05563	2.3
193.90747	44.4
194.87804	2.3
194.91562	20.5
195.96613	1.7
196.89467	55.6
236.92599	2.8
237.93404	1.7
248.92468	3.0
249.93333	4.1
250.94153	6.0
266.93701	2.4
274.05655	1.7
277.21667	4.3
286.49240	1.7
292.74500	2.0
342.19083	1.9
344.54007	1.9
433.16916	3.1
469.04910	2.8
497.13562	3.0
516.31940	1.8
527.14990	20.1
528.14453	3.0
541.13062	10.8
545.16095	56.6
546.16180	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	543.2577
Annotation	3-Deacetylkhivorin
Peak:m/z	Relative Intensity
57.03446	2.1
59.01384	11.5
61.98824	9.9
69.80193	4.5
69.80473	1.5
71.01380	12.6
71.74416	0.8
72.99296	1.0
73.02944	3.2
81.03458	0.9
83.01388	2.5
83.05057	2.0
85.02950	12.2
86.00091	3.0
87.00858	4.9
89.02428	1.1
93.03456	3.4
95.01385	2.4
97.03002	1.0
99.00882	2.1
101.02449	3.8
101.98837	0.7
109.02931	1.1
111.04509	1.0
112.01643	1.0
113.02441	12.6
122.03725	1.2
123.04504	1.0
125.02426	2.1
139.39160	0.9
143.03461	1.2
149.06044	1.4
161.09634	0.8
163.07721	0.9
173.04552	3.7
173.05959	1.2
179.70885	0.8
185.06108	1.0
189.05655	1.1
191.05597	14.3
209.11806	4.1
245.19142	1.0
253.09290	2.7
254.05727	1.3
256.67572	0.9
263.20160	1.4
289.12170	1.0
289.18036	4.0
299.20163	20.6
300.20520	1.5
307.19122	7.0
315.19620	9.2
317.21188	24.3
317.24878	1.5
318.21527	2.6
325.14490	2.1
327.16415	1.1
337.17880	7.8
339.19495	2.6
357.20450	23.5
358.20773	2.6
381.20514	5.3
382.20734	0.9
383.18182	1.3
399.21530	2.6
401.19443	10.9
402.19858	1.3
411.21149	1.0
413.23645	1.1
435.21259	1.2
461.25439	24.2
462.25800	2.6
483.23636	18.2
484.24185	2.3
499.26889	5.7
501.24677	100.0
502.25027	11.0
511.27426	1.6
525.25092	1.2
527.22430	2.8
543.18237	1.5
543.25580	19.4
544.25879	3.2
545.23651	21.7
546.23798	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	66.7
66.41371	0.6
67.01887	1.2
69.03448	2.1
69.77391	2.0
69.77795	1.2
71.01379	2.4
71.05018	3.8
73.02935	1.4
78.52356	0.6
83.05031	1.1
85.02950	2.3
86.02464	0.8
87.00863	1.7
87.89660	0.7
89.02456	1.1
90.20132	0.6
93.03455	8.5
97.06572	1.4
97.49211	0.6
101.02473	0.7
111.04534	1.2
111.08164	1.5
113.02434	0.7
113.09729	1.4
114.09259	0.7
115.07650	4.8
125.02444	2.1
127.11291	8.0
131.03476	2.0
137.02472	2.1
137.09653	1.0
139.07698	1.3
142.12337	0.6
149.04565	2.7
151.11240	1.6
153.12842	1.4
155.10783	17.7
156.10281	1.4
157.08707	14.0
158.11833	2.9
169.01404	2.8
169.12335	20.1
173.04550	6.6
177.01602	0.6
180.10286	3.7
182.11845	1.6
182.15477	1.8
183.13873	1.0
191.05605	19.1
192.05846	0.9
196.13458	0.5
198.11386	1.6
198.14993	1.0
199.09775	1.2
200.12918	12.0
201.09319	0.7
209.15529	1.3
209.19106	3.7
211.13419	2.8
212.16608	1.2
215.07036	3.1
217.10825	1.5
229.08606	0.9
233.06689	1.0
242.13863	1.1
253.09250	1.3
256.07291	1.3
260.15076	2.9
296.18680	0.9
309.20703	3.7
314.19754	3.7
393.72693	0.6
394.25787	1.9
412.27011	100.0
413.27332	8.7
469.05115	1.5
544.31415	14.3
545.20154	2.9
545.31335	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	543.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.3
58.99599	3.0
59.01387	8.6
61.98831	2.7
67.15650	1.5
69.03452	5.9
69.26923	12.4
71.01379	6.1
73.02948	4.5
79.05519	3.6
80.02674	1.4
81.07075	2.6
83.01393	2.0
85.02956	6.6
87.00875	16.9
89.02457	7.1
89.66139	1.2
93.03450	4.4
95.01408	1.2
95.04995	2.4
96.96003	4.4
97.02917	1.8
98.20690	2.8
99.00874	3.8
99.04508	9.2
101.02432	4.5
102.98592	19.0
104.98163	5.5
107.05009	3.6
111.04475	1.4
113.02437	2.5
117.01907	1.7
119.03382	1.5
122.99170	1.6
125.02448	4.0
129.01927	1.6
131.03493	3.6
135.04486	1.4
141.01955	2.3
145.10153	1.4
149.04564	10.2
157.06511	1.5
159.03024	2.3
161.04556	12.1
161.09726	2.0
161.13356	40.4
162.13707	1.6
173.04532	4.8
179.05615	27.7
185.09665	1.7
187.11279	9.9
191.05597	5.4
205.12325	100.0
206.12646	5.8
222.36992	1.4
231.10229	13.3
249.11308	64.0
250.11606	3.8
261.22589	1.4
363.14301	1.7
411.16574	64.4
412.17035	4.1
543.20758	92.5
544.21094	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	543.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.7
58.99602	16.5
59.01375	7.2
64.40363	0.5
65.46964	0.4
69.18104	4.1
71.01374	1.3
74.99087	4.2
83.01355	0.5
85.02917	0.5
87.00880	1.2
89.02457	0.5
97.02930	0.5
99.04514	31.2
100.04889	0.5
101.02458	0.4
102.98595	100.0
103.98974	1.2
104.98196	0.9
113.02463	1.2
114.32538	0.5
119.04955	0.4
120.99657	11.3
121.02940	1.4
123.04514	1.1
133.06593	0.4
135.08150	1.0
135.85666	0.4
147.08160	2.8
149.06120	1.1
158.89287	0.4
161.04768	0.8
161.06067	5.6
163.00708	9.3
165.01941	0.9
169.10217	0.7
173.06026	0.7
187.11327	0.9
189.09186	1.0
191.05612	0.7
199.11305	0.6
201.09248	0.6
205.12315	0.9
213.09250	1.8
216.07822	0.7
217.12347	0.7
219.10258	4.6
220.10907	0.4
225.09196	1.1
231.10243	15.4
232.10571	0.6
237.11324	0.4
239.10945	0.5
242.96291	0.4
243.10310	0.6
243.19048	0.4
249.11365	3.8
251.11111	0.7
261.11292	4.4
267.12460	0.9
277.09195	0.7
279.12387	1.5
283.10016	1.1
295.10065	4.4
313.11108	1.3
365.10660	0.9
383.11398	0.5
383.15894	0.5
483.16754	1.0
501.17944	3.1
513.18335	1.0
525.17822	3.3
528.55121	0.4
543.18988	17.0
543.26178	1.2
544.19293	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	543.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.1
58.99603	18.6
59.01379	3.1
59.99926	0.1
60.01713	0.1
61.28382	0.1
61.98841	0.1
67.09267	0.1
69.14643	0.3
69.15060	0.8
71.01380	0.7
73.02950	0.3
74.99095	2.5
85.02961	0.3
87.00889	0.1
89.02455	0.3
93.03453	0.4
96.96009	0.2
99.04527	2.0
101.02438	0.4
102.98596	100.0
103.98986	1.0
104.98165	0.3
113.02448	0.4
117.03499	0.2
119.03477	0.1
120.99660	3.2
134.03752	2.1
135.08177	0.1
137.02449	0.2
147.08128	0.2
149.04558	0.2
149.06071	0.3
155.03514	0.3
160.01656	0.3
161.04561	0.1
161.05997	0.2
163.00710	7.6
164.00966	0.2
173.04568	1.0
175.03957	0.4
177.80568	0.1
191.05583	0.3
193.05051	2.2
225.09059	0.1
231.10150	0.2
249.11322	0.1
261.11115	0.2
261.80353	0.1
279.12305	0.2
339.21631	0.4
349.09271	0.9
367.10367	0.9
455.61151	0.1
499.86795	0.1
501.17645	0.1
543.18848	2.0
543.26263	0.1
544.19159	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16331	0.2
57.03454	0.3
58.99605	16.3
59.01377	2.5
65.03934	0.2
69.32721	1.6
71.01365	0.6
74.99095	2.6
77.96943	0.2
83.01403	0.2
85.02958	0.4
87.00861	0.2
89.02427	0.5
95.05018	0.2
99.04518	11.3
102.98597	100.0
103.98927	0.6
113.02447	0.7
120.99657	4.6
123.04546	0.3
135.08124	0.5
149.04562	0.3
154.12424	0.2
157.10176	0.3
161.06067	0.7
163.00705	7.0
179.07088	0.4
187.11263	0.5
200.42276	0.2
205.12392	0.5
249.11256	0.4
267.12402	0.8
279.12354	1.4
313.11145	0.6
483.16843	0.3
543.19019	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	541.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07019	0.5
59.01371	1.4
60.99310	13.9
61.98831	5.1
70.84393	0.5
70.84734	0.5
75.45191	0.4
79.95755	0.5
80.96524	1.2
87.00861	0.6
88.00404	0.9
88.98807	100.0
89.02453	3.7
89.99153	0.9
93.03458	0.7
96.96011	2.6
102.98580	0.7
106.37988	0.4
146.62317	0.4
173.04651	0.5
191.05656	0.8
217.22745	0.4
541.16400	1.3
542.16968	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.3
61.98829	100.0
62.27036	0.4
69.80495	2.6
71.01392	1.1
83.05009	0.6
85.02946	0.7
87.00914	0.5
93.03453	1.2
98.19961	0.7
113.02500	0.5
116.92899	0.5
135.04634	0.6
149.06105	0.5
154.98172	0.4
173.04495	0.7
189.09196	0.5
191.05594	5.9
254.05779	0.4
379.14044	0.5
382.28363	0.5
457.96432	0.6
499.27069	1.7
542.24884	0.9
543.18799	0.7
543.25494	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45661	0.3
56.92048	0.4
59.01368	1.7
61.98830	100.0
70.95161	0.7
76.10009	0.3
93.03474	0.5
101.02445	0.3
191.05661	0.7
209.11964	0.4
317.21164	0.5
501.24966	1.3
543.26190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01608	1.8
57.03447	13.3
61.98832	100.0
65.00309	7.2
68.99830	2.1
71.15088	4.1
75.51741	1.8
81.03455	43.9
83.01399	8.9
83.05001	9.6
85.02943	12.0
87.45673	1.6
107.05020	3.1
108.87203	2.0
109.02966	4.2
125.02444	69.4
125.06058	2.5
127.81025	2.0
130.73676	2.0
151.03958	4.2
153.01933	5.3
211.06126	18.7
246.48238	2.3
353.30588	6.8
417.33658	2.8
461.32489	7.9
479.33817	27.9
505.14444	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
61.98826	1.7
70.04152	0.3
70.63651	0.3
70.79820	0.6
78.95906	8.6
79.95739	2.6
80.96543	0.3
91.35715	0.2
96.96012	100.0
96.96928	13.4
98.95559	0.4
99.57941	0.3
115.00348	0.3
122.03732	0.3
179.54422	0.3
191.05473	0.3
202.74205	0.3
218.63098	0.3
222.89803	0.2
283.15485	1.1
361.14462	0.3
372.77475	0.3
445.20663	0.3
471.86157	0.3
543.18024	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12348	0.4
57.03456	0.5
59.01382	4.1
70.94975	0.4
70.95315	1.0
71.01379	1.7
73.02946	1.6
79.95729	3.9
80.96525	1.2
81.03439	1.1
83.01382	2.4
85.02939	1.2
87.04518	0.7
89.02436	1.3
96.96020	0.9
99.04514	0.5
101.02435	2.1
102.98594	1.3
104.75981	0.4
108.02145	3.1
109.02950	83.4
110.03273	2.2
111.04519	0.5
113.02448	0.9
114.10463	0.4
135.04492	0.5
139.11255	2.3
153.01933	100.0
154.01169	0.4
154.02240	2.5
162.03246	0.5
164.04785	10.6
165.05099	0.7
169.12306	0.9
177.05537	1.1
179.05682	0.8
179.07126	7.1
179.10785	1.0
180.07530	0.5
181.12347	0.7
183.10254	5.0
197.11885	0.6
199.13397	0.6
225.11333	5.5
229.12228	1.0
243.12323	5.5
249.11240	0.8
259.02783	13.6
260.03104	1.0
267.12323	0.9
285.13376	0.7
291.12329	1.4
309.13409	0.8
327.14432	2.1
335.22256	0.8
336.22614	1.7
337.22733	1.3
358.38229	0.5
387.16632	8.3
388.16733	0.9
409.18649	1.8
541.19202	4.5
541.26477	2.5
551.79242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97942	1.3
59.01379	20.8
61.98834	1.7
71.01385	22.6
71.51780	1.8
75.04905	1.3
78.95892	2.7
83.11114	1.4
83.59521	1.2
85.02957	2.0
87.00906	1.3
89.02447	35.4
101.01849	1.3
101.02416	6.6
113.02444	6.8
116.87035	1.1
116.92873	2.8
119.03516	3.7
143.03494	2.5
143.48392	1.6
152.99533	1.5
161.04494	1.9
168.37646	1.3
179.05577	9.9
245.04410	1.9
267.57593	1.3
313.98495	1.3
361.23834	100.0
362.24182	8.8
481.25470	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	541.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12348	0.4
57.03456	0.5
59.01382	4.1
70.94975	0.4
70.95315	1.0
71.01379	1.7
73.02946	1.6
79.95729	3.9
80.96525	1.2
81.03439	1.1
83.01382	2.4
85.02939	1.2
87.04518	0.7
89.02436	1.3
96.96020	0.9
99.04514	0.5
101.02435	2.1
102.98594	1.3
104.75981	0.4
108.02145	3.1
109.02950	83.4
110.03273	2.2
111.04519	0.5
113.02448	0.9
114.10463	0.4
135.04492	0.5
139.11255	2.3
153.01933	100.0
154.01169	0.4
154.02240	2.5
162.03246	0.5
164.04785	10.6
165.05099	0.7
169.12306	0.9
177.05537	1.1
179.05682	0.8
179.07126	7.1
179.10785	1.0
180.07530	0.5
181.12347	0.7
183.10254	5.0
197.11885	0.6
199.13397	0.6
225.11333	5.5
229.12228	1.0
243.12323	5.5
249.11240	0.8
259.02783	13.6
260.03104	1.0
267.12323	0.9
285.13376	0.7
291.12329	1.4
309.13409	0.8
327.14432	2.1
335.22256	0.8
336.22614	1.7
337.22733	1.3
358.38229	0.5
387.16632	8.3
388.16733	0.9
409.18649	1.8
541.19202	4.5
541.26477	2.5
551.79242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03205	0.2
57.03445	1.4
58.99603	17.2
59.01379	2.9
61.98818	0.3
69.17719	0.5
69.18127	1.6
69.62610	0.2
71.01373	0.6
74.99093	2.6
76.64546	0.2
84.49245	0.2
87.00867	0.3
89.02462	0.5
93.30933	0.2
99.04520	12.7
100.04877	0.3
101.02470	0.3
102.98595	100.0
103.98922	0.8
113.02465	0.6
115.26578	0.2
120.99657	7.0
121.02960	0.4
122.81774	0.2
130.04240	0.6
135.04457	0.2
143.08656	0.4
145.06602	1.2
147.04475	0.3
151.05861	0.6
155.08606	0.3
157.06535	0.4
159.04527	0.3
159.08121	0.2
161.06068	0.3
163.00703	8.5
163.07620	0.2
165.01936	0.2
167.08698	0.5
173.09682	0.5
179.05446	0.5
179.08693	0.3
183.08278	0.3
185.06081	0.3
185.09731	1.0
187.07703	0.4
197.09674	0.6
203.10773	0.8
207.06653	0.4
214.06416	0.3
215.10779	1.3
229.08723	2.6
231.08482	0.6
233.11836	1.0
237.09625	0.3
247.09746	0.9
249.09554	3.7
250.09921	0.2
259.09830	0.5
265.10959	0.3
277.10831	0.8
281.08459	0.2
311.09689	0.3
341.58618	0.2
381.10162	0.6
441.72687	0.2
499.16382	1.4
541.17487	11.3
542.17273	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.6
61.98827	0.5
65.53462	0.2
69.39765	1.3
71.01409	0.2
73.53939	0.2
75.74166	0.2
79.95738	5.5
85.02950	0.2
92.90704	0.2
95.95259	0.3
96.96014	100.0
97.95904	0.4
98.19946	0.3
101.02401	0.2
102.05608	0.3
102.98606	0.3
128.03555	0.3
132.04417	0.2
146.04649	1.0
152.07147	0.5
166.02718	0.8
177.05539	0.3
181.05070	1.9
192.06522	0.2
193.07031	0.2
261.00702	0.4
267.03006	0.3
283.06128	0.6
293.04572	0.2
296.06873	0.4
298.08356	0.2
310.08426	0.3
311.05585	2.0
311.09280	0.7
323.09091	0.3
326.07938	4.4
327.08597	0.3
327.12317	0.4
341.10287	4.7
342.10849	0.4
356.12643	6.3
357.13376	0.3
451.07056	0.3
466.09262	1.6
467.10297	0.2
541.13837	40.1
542.14166	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.6
68.17511	0.8
69.53687	4.2
71.01370	3.0
73.02937	1.2
79.95722	0.9
85.02962	1.1
96.96015	11.7
98.20644	0.9
101.02435	3.0
102.98609	4.6
109.02966	1.0
131.04601	1.2
135.04527	0.9
145.01401	1.1
169.42307	0.8
173.00914	0.8
191.05605	1.4
201.53394	0.7
278.81107	0.8
335.22476	4.0
466.08838	1.2
479.26465	7.0
497.27484	5.1
539.11853	2.7
539.28595	100.0
540.28979	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	540.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	3.6
71.01371	1.6
71.50442	1.1
71.50790	0.9
72.00541	1.3
72.00911	12.8
77.04716	0.8
78.95911	4.6
87.00836	1.4
89.02447	1.1
96.95982	2.5
103.52557	0.8
121.02957	1.6
134.04697	1.0
135.04533	0.9
145.31396	0.8
147.04523	37.3
148.04948	1.1
149.02408	8.3
150.03236	15.7
158.92532	1.3
161.04568	2.1
162.03165	1.3
164.04805	5.8
164.07161	100.0
165.05566	38.1
165.07462	3.3
166.05853	1.9
177.05634	0.9
180.04227	2.2
195.06616	15.7
327.10809	12.8
375.01379	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.6
61.98827	0.5
65.53462	0.2
69.39765	1.3
71.01409	0.2
73.53939	0.2
75.74166	0.2
79.95738	5.5
85.02950	0.2
92.90704	0.2
95.95259	0.3
96.96014	100.0
97.95904	0.4
98.19946	0.3
101.02401	0.2
102.05608	0.3
102.98606	0.3
128.03555	0.3
132.04417	0.2
146.04649	1.0
152.07147	0.5
166.02718	0.8
177.05539	0.3
181.05070	1.9
192.06522	0.2
193.07031	0.2
261.00702	0.4
267.03006	0.3
283.06128	0.6
293.04572	0.2
296.06873	0.4
298.08356	0.2
310.08426	0.3
311.05585	2.0
311.09280	0.7
323.09091	0.3
326.07938	4.4
327.08597	0.3
327.12317	0.4
341.10287	4.7
342.10849	0.4
356.12643	6.3
357.13376	0.3
451.07056	0.3
466.09262	1.6
467.10297	0.2
541.13837	40.1
542.14166	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.286
Annotation	Phoenistatin
Peak:m/z	Relative Intensity
57.03443	0.7
59.01377	27.1
61.54660	0.5
61.98820	1.5
69.85469	2.6
71.01379	13.8
72.99321	0.7
73.02556	1.0
73.02945	16.2
78.95937	0.7
83.01380	3.9
85.02947	3.7
87.00877	1.0
89.02448	3.2
95.01364	0.6
96.95988	1.7
99.00858	0.8
99.92593	0.6
101.01804	0.8
101.02443	12.6
113.02437	3.8
119.03459	1.1
125.02317	0.6
131.03445	0.6
161.04529	1.8
166.82266	0.6
176.04575	0.6
205.24515	0.6
238.26198	0.6
275.12671	1.4
310.29300	0.6
317.21185	59.4
318.21506	4.5
335.22314	2.6
407.16254	0.6
479.26413	8.9
480.26868	0.8
482.17188	0.6
497.27515	7.6
498.27649	1.0
539.28607	100.0
540.20709	0.6
540.28937	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	539.2862
Annotation	Forskoditerpenoside E
Peak:m/z	Relative Intensity
51.51662	0.5
57.03424	0.8
59.01379	28.7
61.98814	1.5
70.76739	1.1
71.01379	7.4
73.02950	7.2
83.01380	2.3
85.02945	2.1
87.00876	1.2
89.02432	3.7
89.76114	0.6
95.01380	0.8
99.04491	0.7
101.02453	8.6
102.98583	1.2
108.02162	2.1
113.02442	4.0
119.03478	1.1
123.04505	1.3
143.03461	1.0
149.04573	0.7
151.07629	0.6
152.01141	5.1
161.04521	1.4
167.03505	6.9
183.13795	0.9
191.05611	0.8
214.71443	0.5
227.12766	1.2
243.48981	0.5
251.12955	1.0
285.44827	0.6
293.14117	1.3
308.80591	0.6
317.21179	20.2
318.21469	1.0
333.20892	1.0
335.22244	25.4
336.22552	1.7
347.22275	1.7
377.23141	0.8
419.24625	1.0
449.25305	0.6
479.26468	57.6
480.26825	5.4
497.27557	36.9
498.27975	3.9
539.28601	100.0
540.28992	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	539.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.5
61.98825	1.8
63.72655	0.2
64.99144	0.2
66.01202	0.2
69.83394	1.0
74.13444	0.2
89.21324	0.2
93.03405	0.2
95.05012	0.2
98.20616	0.4
98.99717	0.2
99.92602	0.2
149.06079	0.2
167.60849	0.2
191.05486	0.2
234.94971	0.2
248.14067	0.3
307.22778	1.7
317.21121	0.4
335.22247	100.0
336.22598	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	539.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68461	0.3
59.01379	3.4
64.45541	0.3
69.19548	1.7
69.19975	1.3
71.01369	1.5
73.02950	0.9
80.03621	0.3
85.02963	0.3
89.02437	1.8
98.19832	0.5
99.04518	1.5
101.02441	1.1
113.02443	0.7
119.03496	0.3
155.72928	0.3
168.77483	0.3
179.05600	0.5
217.06947	0.3
230.01302	0.3
260.12393	0.3
279.71774	0.3
317.21283	0.4
335.22247	100.0
336.22610	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	539.2857
Annotation	Phoenistatin
Peak:m/z	Relative Intensity
58.34233	0.6
59.01368	4.5
60.65613	0.5
69.47596	2.3
69.48013	2.0
69.56584	0.6
71.01382	1.2
74.02483	0.8
85.02915	1.1
96.96001	4.2
97.93764	0.6
98.20580	1.5
101.02438	1.2
102.98582	1.1
104.79735	0.8
109.34907	0.6
131.04634	1.1
145.01509	0.8
155.72533	0.6
161.05658	1.7
173.00873	0.9
222.01028	0.7
270.98099	0.6
335.22348	1.7
365.45203	0.6
479.26660	5.1
497.27573	7.0
539.28583	100.0
540.28900	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	539.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64966	0.8
57.03447	1.4
59.01377	18.8
60.17903	0.9
61.98820	2.8
69.46587	6.4
71.01382	18.0
72.99264	0.9
78.95911	2.6
83.02187	0.7
85.02955	2.0
85.59536	0.8
89.02440	26.2
93.03469	0.8
94.98068	0.8
97.35946	0.8
101.02428	7.1
104.92841	1.0
111.08159	0.9
113.02442	6.1
119.03517	4.5
122.03735	1.1
131.03526	2.1
143.03505	3.2
149.06042	4.1
161.04575	3.6
179.05591	10.9
179.10699	0.9
189.09232	2.6
190.10008	2.7
195.13892	1.6
216.11536	1.6
224.06958	1.3
231.13945	2.5
237.14989	1.6
243.13837	1.7
248.14108	4.5
249.14912	1.3
255.23260	11.1
289.18085	1.7
291.19611	11.0
299.20053	1.0
301.17941	1.4
359.22256	100.0
360.22586	7.0
480.30978	6.7
521.32855	1.2
522.33179	1.0
539.33856	37.0
540.34558	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	539.2859
Annotation	Forskoditerpenoside E
Peak:m/z	Relative Intensity
53.83477	0.5
55.40034	0.6
57.03403	0.6
59.01374	7.8
61.98789	2.0
69.82137	3.1
71.01335	2.0
73.02902	1.2
83.02097	0.6
85.02898	1.8
89.02377	1.4
92.24624	0.6
93.03434	0.7
96.95971	1.1
99.04506	1.2
101.02398	2.3
102.98557	0.7
113.02412	1.6
119.03397	0.8
124.98753	0.7
125.02436	0.6
128.03510	1.4
129.03813	0.6
142.99780	0.8
186.46359	0.5
203.12431	0.6
213.86684	0.5
317.21243	1.8
335.22241	100.0
336.12582	0.5
336.22543	8.8
479.26538	16.6
480.26932	1.0
497.27560	8.1
536.25958	0.6
539.20660	1.2
539.28729	19.5
540.28918	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16608	0.8
51.35540	1.0
54.47378	0.9
55.01872	1.3
56.86819	1.0
57.03432	1.6
59.01378	15.7
61.98827	3.5
69.05062	0.9
69.26424	9.0
71.01380	15.4
72.99287	1.6
73.02942	5.6
83.01374	3.9
85.02933	7.0
87.00881	1.1
89.02477	6.6
91.02880	1.1
93.03460	1.9
95.01374	2.2
99.00874	2.3
101.02438	13.7
108.02173	1.2
110.68628	1.0
113.02457	4.7
119.03470	1.6
121.02951	4.9
122.03748	5.9
123.04550	1.4
133.02959	6.8
134.03764	1.6
146.04625	1.2
147.04491	1.6
149.02435	28.2
149.06078	1.7
150.03223	36.2
163.03502	1.1
164.04781	5.2
165.05563	28.9
166.06335	4.7
167.07097	1.1
177.05432	2.2
180.04282	1.9
181.08696	4.1
195.06587	11.2
234.05263	1.2
234.83879	1.0
242.57602	1.0
276.29819	1.1
276.77167	1.0
314.11606	6.1
315.12347	1.7
315.26657	1.0
329.13980	13.3
330.14029	1.0
343.13931	14.1
491.19202	100.0
492.19437	11.0
539.21240	13.6
540.21619	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.5
59.01379	24.9
61.98825	1.0
71.01382	7.3
71.52812	0.4
71.53489	0.5
72.99289	0.5
73.02945	5.6
83.01387	2.1
85.02935	3.6
87.00884	1.0
89.02450	3.4
93.03471	0.5
95.01359	0.6
96.96004	0.7
99.00876	1.1
99.04530	1.0
101.02432	7.5
102.98601	0.7
108.02163	1.7
111.00801	0.6
113.02444	3.8
116.75278	0.5
119.03490	1.8
120.64361	0.4
123.04493	0.5
125.02448	0.8
134.39566	0.4
143.03557	0.9
152.01132	3.8
161.04535	1.3
165.12790	0.8
167.03502	4.6
179.84596	0.5
183.13808	0.5
191.05577	1.3
227.12984	0.5
293.13995	1.5
294.23737	0.5
317.21191	18.4
318.21640	1.5
335.22260	27.1
336.22568	1.7
347.22281	1.3
377.23093	0.7
404.64572	0.6
405.22772	0.6
419.24225	1.3
449.25327	0.6
479.26459	55.0
480.26785	5.2
497.27527	36.2
498.27936	3.7
539.28583	100.0
540.28851	9.5
568.33337	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65712	0.2
57.03450	0.5
58.99601	15.8
59.01374	3.6
61.98824	0.6
69.03458	0.4
70.16237	0.2
71.01382	0.7
71.52390	0.4
73.02946	0.5
74.99094	2.2
83.05058	0.2
85.02927	0.4
87.00856	0.3
89.02457	0.6
90.18870	0.2
93.03456	0.3
95.62675	0.2
96.95980	0.2
97.02944	0.5
99.04516	16.3
101.02430	0.4
102.98592	100.0
103.98988	1.1
120.99646	6.5
122.06199	0.3
129.07069	0.7
135.04524	0.7
143.04898	0.3
147.04521	0.3
159.04611	0.3
159.08121	0.6
161.02280	0.3
163.00703	9.7
169.06552	0.4
171.08119	2.6
175.04066	0.2
183.08153	0.7
185.05984	0.3
189.03769	0.2
189.09085	0.2
195.08192	0.2
198.06776	0.3
199.07640	0.2
201.09163	1.0
213.09184	3.1
215.07138	0.9
227.07196	0.3
229.06879	0.8
231.10234	0.8
233.08084	0.3
235.07907	0.4
245.08195	0.8
247.07875	1.3
257.08231	0.5
279.12448	0.3
291.07111	0.3
313.14417	0.4
335.22214	5.4
341.21423	0.2
368.71225	0.2
497.14941	0.3
539.15747	3.6
539.22809	0.7
539.29388	0.4
540.15833	0.4
557.45099	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24529	0.9
59.01379	30.2
69.63843	2.9
69.64264	3.9
71.01382	30.7
72.32443	1.1
72.99303	2.7
73.02948	2.6
83.01369	1.4
85.02957	8.0
86.38623	1.0
87.00877	8.4
89.02448	41.3
94.98064	1.1
95.01414	1.8
97.02947	1.5
101.01801	1.7
101.02439	25.3
105.01926	1.4
108.90183	2.6
110.89940	1.3
113.02454	16.3
119.03498	8.3
131.03505	2.7
143.03477	5.4
149.04564	8.6
152.95975	3.2
153.99126	2.7
159.30956	1.2
161.04543	9.3
164.83820	1.1
179.05603	43.3
180.05782	1.3
182.97028	1.1
217.03278	1.1
221.06642	20.0
229.39243	1.1
246.65787	1.2
281.08823	2.5
288.65149	1.4
317.05569	8.9
318.05438	1.3
323.09906	5.7
341.10883	6.2
377.08539	16.1
383.11746	1.8
503.16190	100.0
504.16656	8.1
515.98334	1.3
539.13824	44.0
540.14404	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	539.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.3
58.99603	14.7
59.01376	2.4
61.98823	0.5
69.33512	0.5
69.33926	1.6
71.01373	0.6
73.02927	0.5
73.11744	0.3
74.99104	2.2
75.60394	0.2
83.01395	0.2
85.02936	0.4
87.00889	0.4
89.02435	0.5
93.03512	0.4
96.65367	0.2
96.96014	0.4
97.02937	0.4
98.19928	0.5
99.04517	16.0
100.04819	0.3
101.02436	0.3
102.98596	100.0
103.98945	1.0
109.02836	0.3
113.02447	0.3
120.99651	7.3
129.07106	1.0
135.04556	0.4
141.07129	0.3
143.05032	0.5
147.04539	0.4
156.05782	0.3
159.08128	0.4
162.02271	0.3
163.00703	8.6
171.08162	2.7
183.08110	0.4
185.06003	0.4
187.07660	0.4
191.05591	0.4
191.07199	0.3
195.08223	0.4
197.06071	0.4
201.09213	0.8
213.09201	2.6
215.07176	1.0
227.07152	0.5
229.06941	0.6
231.10255	0.3
233.08324	0.4
235.08113	0.5
245.08211	1.0
247.07913	1.4
249.14894	0.3
257.08179	0.6
270.15381	0.3
279.12323	0.4
287.37695	0.2
287.79825	0.2
291.07007	0.4
308.27731	0.3
313.14526	0.5
335.22226	6.6
497.14737	0.5
539.15955	3.1
539.23096	1.0
540.16321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	31.8
61.98832	100.0
67.52194	0.6
70.65842	0.5
71.01402	3.1
71.51508	0.7
71.51906	0.6
73.02970	1.0
78.95891	0.9
84.43618	0.6
85.02975	1.2
86.65240	0.6
89.02447	1.8
91.44939	0.7
93.03477	1.7
94.03793	0.9
97.51744	0.6
101.02458	2.6
108.02155	4.5
109.02428	0.7
109.03065	0.8
113.02470	1.2
119.03537	0.9
137.02435	1.5
138.02750	0.8
149.91881	0.7
150.03210	3.9
152.01144	7.4
153.01476	3.6
154.88322	0.5
161.04512	0.7
162.03224	0.7
165.05487	3.2
191.05670	0.9
195.06650	1.1
355.16898	0.7
366.19482	0.6
389.21927	2.5
400.09808	1.6
404.35339	0.6
418.10870	1.7
431.22717	2.2
483.11777	0.7
491.19357	2.4
538.12823	8.7
539.13342	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63692	0.8
54.72772	1.0
56.43827	0.7
59.01071	1.2
59.01377	47.3
61.98829	100.0
71.01369	3.6
71.52008	0.9
71.52479	1.6
73.02947	1.9
82.72939	0.8
85.02945	1.8
87.00857	1.8
89.02446	1.6
93.03454	0.9
99.04490	4.3
100.51918	0.9
101.02420	1.8
113.02440	2.2
128.03499	1.1
155.10776	2.6
161.04506	1.7
191.05553	3.2
210.57430	0.8
227.16522	6.5
329.27936	1.0
367.05984	1.1
371.20691	1.8
389.21799	4.2
431.22745	6.8
432.22672	1.0
538.19678	1.0
539.28552	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	537.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
59.01378	22.5
61.98800	1.3
66.32229	0.5
71.01385	13.0
71.28924	0.7
72.99283	0.6
73.02568	1.0
73.02946	14.4
78.95879	0.4
79.84637	0.5
81.85925	0.5
83.01398	3.7
85.02954	2.8
87.00861	0.8
88.98779	0.9
89.02447	3.6
89.27624	0.4
93.03448	1.1
95.01396	0.8
96.96001	1.0
98.81787	0.5
99.00833	1.1
101.01801	0.8
101.02441	12.8
113.02451	4.2
113.47504	0.5
119.03446	0.8
123.94273	0.5
125.02399	0.7
131.03477	0.6
135.04500	1.2
161.02435	0.6
161.04535	1.4
164.04784	3.3
165.05382	0.5
173.00870	0.9
173.04526	0.7
175.51544	0.4
179.03496	0.9
179.07120	2.7
191.05568	1.5
246.25502	0.5
264.06473	0.7
315.19620	70.7
316.20001	5.9
333.20691	7.6
355.08130	0.7
395.97452	0.5
477.24869	9.5
477.31094	0.9
478.25095	1.3
495.25943	8.1
502.95490	0.5
530.79114	0.6
537.27075	100.0
538.27441	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	537.2705
Annotation	Ajubractin D
Peak:m/z	Relative Intensity
57.01830	0.6
57.50502	0.4
59.01387	3.7
67.37396	0.4
69.35699	0.4
70.79015	1.0
70.79391	0.9
71.01369	1.9
73.02924	0.5
83.01376	1.0
85.02959	1.0
89.02414	0.5
96.96038	0.5
100.17607	0.4
101.02421	1.5
102.02372	0.4
111.32522	0.4
113.02440	0.5
140.94789	0.4
158.87790	0.4
199.15450	0.5
296.33997	0.4
333.20810	1.0
334.21921	0.5
477.24713	3.9
477.30600	0.6
478.25009	0.5
537.27014	100.0
538.27356	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	537.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85026	0.4
57.03445	1.0
58.00577	0.4
59.01376	12.4
70.91379	0.4
71.01373	4.6
71.52186	0.6
73.02946	2.7
75.00866	1.3
77.21886	0.4
80.96563	0.4
83.01379	1.2
85.02959	4.1
87.00880	0.5
89.02443	0.7
93.03455	0.9
99.00874	1.6
99.04496	0.5
101.02450	4.4
104.38599	0.4
108.02171	1.0
113.02448	3.1
139.88632	0.4
141.01654	0.5
143.03545	0.4
152.01183	1.0
160.89301	0.6
161.04561	0.5
161.31546	0.4
164.04794	0.7
167.03502	0.7
179.07129	0.5
191.05630	1.2
214.83633	0.4
249.06062	0.6
251.34198	0.4
287.22357	2.8
333.20728	3.3
344.70358	0.5
477.25085	3.7
495.26154	4.8
537.27051	100.0
538.27417	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	537.2704
Annotation	Ajubractin D
Peak:m/z	Relative Intensity
50.06763	0.6
53.41616	0.6
59.01377	19.9
71.01383	10.3
72.99277	1.1
73.02943	11.4
75.00835	0.6
83.01385	2.8
84.06176	0.5
85.02945	2.6
89.02425	2.9
93.03436	1.3
95.01375	1.0
98.20753	1.2
99.00916	0.7
101.02440	10.3
113.02464	4.0
119.03467	1.3
131.03360	0.7
155.03543	1.0
161.04523	2.1
167.00473	0.7
225.09923	0.6
262.81305	0.6
266.21252	0.7
274.95148	0.6
315.19629	71.2
316.19983	6.2
333.20697	18.9
334.21176	1.7
463.75790	0.6
477.24860	11.2
478.25201	1.1
495.26013	8.3
496.25888	1.0
537.27032	100.0
538.19733	1.3
538.27399	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	538.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	32.7
61.98831	100.0
71.01382	5.6
71.52837	1.9
73.02946	4.2
78.95916	1.6
85.02953	1.5
87.00908	1.2
89.02425	2.5
93.03452	10.8
96.91919	1.0
96.96000	1.3
99.04530	2.1
99.92587	2.2
101.02449	5.5
113.02457	1.7
121.02959	11.5
128.03555	3.0
137.02437	13.6
144.08400	1.1
149.31805	1.3
167.20621	1.5
173.04614	1.1
191.05634	3.1
227.07150	4.7
235.44321	1.2
281.06662	7.1
317.21014	1.4
333.20715	3.8
334.20972	2.5
478.25256	1.2
479.26465	1.9
495.20538	1.2
537.26245	1.8
538.26880	6.9
539.28546	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	537.2694
Annotation	Ajubractin D
Peak:m/z	Relative Intensity
58.00615	0.8
58.58980	0.7
59.01380	19.0
61.98820	1.7
69.03457	0.9
71.01374	10.7
71.52766	1.2
71.53133	0.9
73.02940	11.3
78.95911	7.9
83.01389	3.1
85.02953	3.1
89.02448	2.3
95.08712	0.7
97.02978	1.8
99.00924	0.9
101.02454	11.4
111.08118	1.0
113.02457	2.6
119.03514	1.5
126.90411	2.5
131.88148	0.7
152.99577	10.5
160.90282	0.8
171.10245	1.7
173.04660	1.0
183.13914	1.4
191.05646	1.5
197.11809	2.0
211.13353	1.3
227.03329	1.0
233.15625	1.1
283.13440	1.1
291.19815	3.3
309.20660	9.4
315.19644	55.2
316.20068	4.3
333.20694	48.0
334.21133	4.5
378.31580	0.9
408.33026	0.8
477.25000	8.2
478.25912	1.3
495.25919	8.1
537.26996	100.0
538.19177	1.6
538.27100	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	537.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.1
63.87172	0.8
70.67489	2.4
71.01381	1.3
89.02421	1.4
101.02431	1.3
105.40984	0.8
108.02175	1.3
109.02946	18.9
109.03690	1.3
116.92948	0.8
121.02933	3.3
121.79856	0.8
122.03719	1.2
123.00870	0.8
131.93710	0.7
135.04500	0.9
136.01660	29.0
137.02434	1.7
145.02951	1.4
146.03729	2.1
147.04497	1.0
149.02415	1.6
150.03181	3.2
151.04002	34.8
151.75084	0.7
152.04355	1.6
152.28049	0.8
158.03731	1.7
159.04482	1.6
160.05296	1.9
161.04640	0.8
161.06030	1.9
163.03911	1.0
165.05542	2.7
172.05312	1.3
175.03996	3.0
175.07539	0.8
176.04784	2.2
189.05647	2.3
190.06364	2.2
191.07143	3.4
195.06647	1.4
239.07091	3.0
249.05504	0.8
250.06273	1.6
251.06924	1.8
258.03140	0.8
266.05771	1.8
267.06595	39.1
268.06879	2.5
279.06430	4.1
282.08954	41.1
283.09378	2.4
294.08908	2.5
297.11298	100.0
298.11646	8.7
299.99332	0.8
312.10028	7.0
315.12387	3.0
327.12338	33.6
328.12759	2.7
330.11267	1.2
342.11047	1.4
345.13416	53.2
346.13666	3.6
357.13373	19.4
358.13782	2.1
375.14484	25.8
376.15131	2.0
376.46289	0.9
429.44266	0.8
442.27658	0.7
443.66272	0.7
537.21490	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60998	1.1
59.01380	45.2
61.35119	0.8
67.77895	0.9
69.03459	1.2
69.30056	6.2
69.30479	2.4
69.76630	0.8
71.01381	19.1
72.99303	1.0
73.02934	5.7
83.01389	1.8
85.02960	4.4
89.02449	21.1
95.01389	1.2
95.05013	1.8
98.20741	1.2
101.02438	10.2
113.02448	8.2
118.57810	0.8
119.03511	6.5
130.21988	0.9
131.03508	1.0
163.11305	5.5
179.05695	1.4
181.12332	43.7
182.12643	2.2
207.10240	2.4
225.11311	100.0
226.11662	4.0
240.16611	0.9
243.12354	2.5
297.59650	1.0
357.15594	2.3
405.17618	62.5
406.18115	4.5
449.20609	1.0
537.21875	75.9
538.22388	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20020	0.7
58.80952	0.6
61.98853	0.5
67.34394	0.6
70.58949	0.7
71.51415	0.6
71.51789	0.9
78.95901	2.5
80.90339	0.6
89.96590	0.6
99.92582	15.9
100.93316	0.6
115.00372	1.1
115.92068	11.9
116.92857	100.0
117.92861	3.6
153.89749	0.5
229.06104	0.7
252.64996	0.7
253.29167	0.6
289.25912	0.7
328.23904	0.6
406.66803	0.6
461.23166	0.8
463.25275	2.8
475.25372	2.2
489.23178	1.7
507.24384	2.0
519.24127	21.6
520.24188	4.3
533.22278	2.1
537.24969	5.1
537.39355	1.7
538.25153	1.0
561.33948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	1.3
59.64972	0.7
69.85214	2.1
69.85609	1.2
71.01383	1.4
71.97952	0.7
95.83890	0.7
101.02412	1.3
104.98202	0.7
108.02200	1.2
109.02234	1.5
109.02953	28.4
110.03292	1.0
121.02993	3.5
122.03743	1.9
123.00882	1.6
123.04539	0.9
133.02882	0.8
136.01662	30.7
137.02400	0.9
145.02957	3.5
146.03714	2.8
147.04517	1.5
149.02380	1.2
150.03220	2.6
151.04012	29.1
152.04430	1.0
159.04466	2.2
160.05312	2.1
161.06059	2.9
163.04027	0.8
165.05605	2.2
171.04570	1.3
172.05258	2.7
173.06036	0.9
175.03979	6.6
175.07619	0.8
176.04761	4.9
177.05508	1.0
187.03993	1.1
189.05627	5.2
190.06381	4.3
191.07156	7.4
195.06648	1.4
239.07109	5.2
249.05632	1.7
250.06281	2.2
251.07039	2.9
261.05457	1.6
262.06433	0.8
266.05917	2.1
267.06607	50.3
268.06934	4.0
278.05911	0.9
279.06601	8.7
281.08041	0.9
282.08966	44.0
283.09311	2.9
293.08270	1.8
294.08881	4.9
297.08298	3.4
297.11301	100.0
298.11588	6.6
309.11285	1.8
312.10004	15.7
315.12549	2.1
327.12360	62.5
328.12701	4.5
342.11246	0.9
345.13409	52.0
346.13797	4.0
357.13409	19.1
358.13657	1.3
375.14478	46.1
376.14761	3.4
395.21057	0.8
421.88870	0.8
508.73642	0.8
537.19452	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.6
61.98820	1.5
63.36237	0.7
71.01389	3.7
73.02950	1.1
85.02940	1.5
88.98805	1.5
89.02452	2.4
93.03461	2.5
98.19888	1.9
101.02448	2.0
108.02193	2.1
109.02956	12.8
113.02493	1.4
119.03496	0.8
121.02901	4.8
121.35896	0.8
122.03757	8.7
123.04592	1.4
133.02975	1.1
136.01668	12.7
137.02444	1.4
145.02962	1.6
146.02684	1.4
146.03716	8.3
147.04489	2.1
149.02440	14.7
150.03229	55.0
151.04024	13.3
152.01154	1.3
160.05334	1.1
161.04697	1.3
161.06085	2.5
164.04781	7.5
165.05569	63.4
166.05879	1.6
167.48843	0.9
171.04436	1.0
172.05363	2.1
175.04027	5.8
175.31110	0.8
176.04776	5.4
179.05653	1.0
179.07127	12.3
180.04234	3.8
189.05548	4.8
190.06416	4.4
191.05608	2.2
191.07144	6.4
195.06630	51.2
196.06912	2.0
223.07658	1.6
225.11333	1.3
250.06407	1.0
251.07104	3.4
261.05594	1.5
262.06284	1.0
267.06595	6.5
278.05936	1.2
279.06631	9.8
281.08075	2.5
282.08841	4.2
283.10284	1.2
287.14117	0.9
293.08337	1.5
294.08990	5.0
295.09491	1.1
296.10516	1.7
297.07742	3.5
297.11353	11.8
298.11877	1.3
309.11340	1.5
312.10049	15.7
313.10303	1.1
315.12430	2.1
327.12363	100.0
328.12738	6.2
345.13443	9.5
346.13672	1.0
357.13425	20.6
375.14441	10.1
405.17679	1.0
447.14252	7.4
537.18707	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	537.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
59.01379	49.4
61.14583	1.3
64.49881	1.4
69.44376	8.6
71.01381	48.0
72.99291	1.8
73.02944	6.0
75.69301	1.2
83.01372	4.6
85.02943	14.1
87.00867	3.0
87.73108	1.4
88.45023	1.3
89.02444	46.6
93.03475	2.8
95.01392	3.4
95.05036	1.4
98.20628	2.9
99.00883	1.8
101.02440	22.3
108.02200	1.2
113.01737	1.5
113.02457	20.4
119.03500	18.3
121.02950	5.1
122.03738	13.4
131.03447	1.6
132.02110	1.7
143.03503	5.0
149.02431	56.3
149.04416	3.0
150.03230	82.0
151.03592	2.8
159.02953	2.7
161.04532	12.1
164.04803	16.0
165.05568	74.8
166.05980	2.8
177.05611	1.8
179.05634	19.7
179.07089	2.0
180.04265	5.9
189.54379	1.3
191.05511	1.5
195.06619	39.3
211.44072	1.5
225.11206	1.9
283.09689	4.6
312.10007	15.1
327.12350	100.0
328.12854	8.3
375.14294	2.5
489.17639	12.7
537.19763	20.3
538.20026	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.5
69.77864	3.1
71.01387	4.8
81.76513	0.7
83.01355	0.6
88.98826	1.5
89.02441	3.8
93.03457	0.9
98.19930	1.2
101.02425	2.0
106.49552	0.6
108.02161	1.7
109.02952	8.1
113.02457	1.9
119.03521	1.3
121.02957	4.5
122.03778	3.4
123.00913	1.2
136.01674	7.6
137.02443	1.6
145.02943	0.9
146.03712	4.2
147.04483	1.4
149.02423	22.6
150.03223	20.7
151.04022	6.8
152.01083	1.9
159.04614	0.8
160.05254	1.4
161.04723	0.7
161.06071	2.7
164.04793	6.8
165.05569	24.4
166.05905	1.0
171.04456	0.9
172.05304	1.3
175.04024	4.8
176.04773	3.7
179.05652	1.0
179.07095	5.0
180.04218	1.3
189.05560	3.1
190.06334	3.9
191.05540	1.2
191.07063	6.1
195.06602	18.0
196.07019	0.7
223.07693	0.7
239.07201	0.7
251.07060	2.7
261.05472	1.0
265.14026	0.7
267.06601	4.8
278.05948	0.9
279.06622	6.6
280.07101	0.9
282.08838	3.9
283.09869	1.8
293.08160	1.0
294.08957	4.8
297.07761	2.1
297.11298	9.5
309.11395	1.0
312.10010	20.0
313.10388	0.8
315.12375	1.3
327.12347	100.0
328.12723	7.5
339.12277	2.0
345.13403	7.6
357.13409	11.3
358.13861	0.8
375.14499	8.9
405.17712	0.8
413.92795	0.7
447.14105	4.9
537.11566	1.1
537.19220	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	536.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89251	0.7
55.61181	0.7
59.01379	57.7
61.98830	100.0
63.60221	0.7
71.01382	9.4
72.99309	0.6
73.02947	3.0
83.01399	1.0
85.02946	5.2
87.00891	3.8
89.02450	8.6
93.03457	2.6
95.32748	0.6
101.02441	7.3
113.02458	6.8
119.03504	3.1
137.02440	1.2
140.03503	1.2
143.03571	0.8
147.99725	0.8
149.04520	0.8
161.04579	2.7
163.11200	0.8
173.04533	1.2
179.05608	1.0
181.12315	6.1
183.63983	0.7
191.05553	3.3
225.11302	13.3
225.15004	1.0
243.12257	1.2
277.78799	0.7
315.14722	0.8
345.13351	0.8
369.19177	11.3
387.20273	6.5
388.21088	0.9
405.17679	11.2
429.21283	13.5
430.21695	1.7
449.14777	1.4
536.18982	1.3
537.21606	8.2
537.27399	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	536.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26099	0.8
59.01380	61.5
61.98831	100.0
62.44598	0.8
66.69361	0.8
71.01388	4.5
71.52140	0.9
71.52522	1.3
73.02934	1.3
83.01392	1.0
85.02951	1.5
87.00880	1.2
89.02452	3.8
94.35710	0.9
95.01421	0.9
101.02453	3.7
101.61135	1.1
107.44949	0.9
111.10901	0.9
113.02434	2.5
115.67249	1.2
119.03491	1.4
124.14116	0.9
129.99283	0.9
149.04483	1.0
161.04585	1.6
171.81784	0.9
191.05569	2.9
243.12187	1.3
263.83282	1.1
295.73654	0.9
329.13940	1.1
330.14221	3.2
369.19180	3.9
370.19510	1.0
374.13220	1.6
387.20148	2.3
429.21167	6.1
430.21365	0.9
484.44788	1.0
536.19250	1.1
537.21954	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57383	1.5
58.00585	3.9
59.01377	85.9
61.98815	6.4
69.59000	11.4
71.01012	2.9
71.01385	46.9
72.99283	2.3
73.02939	3.9
75.27217	1.6
76.10125	1.4
83.01387	1.9
85.02955	11.6
85.97278	1.4
87.00878	5.2
89.02442	68.9
93.03440	3.9
95.01379	5.2
96.95980	2.5
101.02438	26.4
106.45921	1.8
108.02166	3.3
109.02931	2.8
113.02444	24.0
119.03494	25.8
121.02957	5.5
122.03746	13.3
123.04535	2.2
131.03477	3.3
133.03009	3.1
143.03493	3.7
145.03000	2.0
146.03709	10.4
149.02444	27.3
149.04527	3.2
150.03223	100.0
151.03764	1.8
152.01126	4.5
161.02394	2.5
161.04533	6.8
161.05878	2.4
162.03253	16.0
162.72781	1.6
163.11284	1.7
164.04791	16.6
165.05568	99.3
166.05800	2.3
176.04755	1.9
177.05600	12.6
179.05586	18.1
179.07135	11.8
180.04259	9.0
181.12344	14.5
191.05614	6.0
195.06610	73.1
196.06902	1.9
225.09222	3.4
225.11330	36.6
226.11514	2.0
250.25246	1.7
286.69080	1.6
293.08432	1.7
312.10040	3.6
327.12344	25.9
328.12531	2.7
339.12265	7.2
375.14493	3.7
380.34280	1.7
405.17584	33.1
426.07144	1.8
489.17859	3.1
537.21661	22.9
538.22144	2.9
548.17188	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69228	0.4
59.01378	3.2
63.35827	0.4
65.56451	0.4
71.01385	0.8
71.18266	0.4
71.20518	0.4
71.52885	0.7
76.96461	0.4
79.95734	0.4
91.48569	0.4
96.96011	0.6
99.92579	0.4
101.02454	0.6
111.08170	1.1
113.09728	38.2
114.10044	0.9
115.16262	0.4
135.04549	5.2
141.09203	0.7
159.10266	100.0
160.10576	2.3
191.05685	0.5
225.55014	0.4
287.22287	1.0
334.87955	0.4
356.19647	0.4
449.27716	1.1
491.28687	2.0
535.30334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63357	1.6
55.01873	2.2
57.03448	2.1
58.70522	1.3
59.01376	100.0
61.14603	1.5
61.33846	1.3
61.98821	2.3
71.01379	25.2
71.05084	1.3
73.02945	11.2
79.95722	1.6
83.01392	5.9
85.02953	7.5
87.00887	2.9
87.04548	2.2
89.02441	17.2
93.03458	2.7
95.01389	2.9
96.96025	2.7
99.00871	3.8
99.04498	2.5
101.02440	19.6
101.06058	3.1
101.21727	1.5
113.02455	15.8
119.03498	7.5
121.02946	2.5
122.03708	2.6
131.03470	2.3
135.04454	2.9
136.01666	4.1
137.02451	2.8
142.99846	2.3
143.03484	2.6
145.02953	4.1
146.03668	1.6
149.04524	2.9
149.05972	1.8
151.03966	5.9
154.99878	7.4
161.04581	7.2
161.05756	1.6
162.03212	2.1
173.00919	7.1
173.06053	1.6
175.03926	2.3
176.04895	1.6
177.05583	1.8
179.05624	8.1
179.06982	1.8
181.12335	2.2
189.05663	1.6
190.06355	2.3
191.05632	3.6
191.07228	2.1
191.10786	2.4
249.14923	4.5
292.97079	1.5
327.17819	2.3
357.13513	1.9
361.18741	2.1
380.33554	1.3
403.19681	4.4
405.11758	3.3
415.23422	17.7
416.23026	1.6
433.24329	7.0
475.25043	1.6
505.18210	6.7
535.20697	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	536.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	90.7
60.01715	1.8
61.98827	100.0
71.01378	10.1
71.29072	3.0
73.02943	7.6
83.01383	2.4
85.02944	2.7
86.89394	1.6
87.00856	1.4
88.98791	7.3
89.02448	4.3
96.96039	1.8
101.02452	7.8
113.02440	6.0
119.03545	1.7
129.40755	1.4
138.06862	5.8
143.03423	1.5
149.04478	2.1
153.09224	16.3
157.79230	1.7
161.04561	4.8
173.87357	1.5
191.05571	3.8
205.99101	1.3
225.14923	34.9
226.15321	1.7
316.01840	4.4
330.03754	2.8
331.04092	4.7
369.18985	11.1
370.19635	1.4
387.20157	8.8
388.20779	1.7
429.21231	21.9
466.42447	1.5
536.11298	4.2
537.22278	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	535.2317
Annotation	Cowagarcinone E
Peak:m/z	Relative Intensity
57.03431	2.8
59.01379	14.9
61.97514	2.1
61.98585	2.0
61.98829	22.7
69.03426	1.9
71.01376	3.7
71.52943	3.5
78.95901	44.3
83.01369	4.2
83.05017	4.4
93.03464	4.0
95.05032	2.6
96.96020	2.4
96.96914	4.7
97.02959	2.0
97.06610	3.2
99.04500	3.1
101.02398	2.8
123.04565	3.0
123.08170	2.0
125.09733	4.7
137.09746	4.3
149.06128	2.4
152.99580	53.1
163.11288	4.1
165.12796	3.4
171.00645	3.1
173.04507	3.5
177.12837	2.3
185.11801	7.0
190.11382	2.1
191.05614	3.0
191.10722	2.1
191.14400	5.6
207.10194	4.0
209.11795	18.4
213.09103	2.4
225.11264	3.7
227.03201	6.4
229.10780	3.4
245.19089	7.2
248.14359	3.2
289.18094	26.3
290.18671	2.4
307.19119	16.8
316.56998	2.1
528.40076	2.2
535.23206	100.0
536.23260	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	535.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.7
60.99302	15.7
61.98829	18.4
70.85094	1.5
71.01387	1.6
72.99328	1.1
78.22459	0.7
85.02943	0.9
87.00863	1.8
88.00392	1.0
88.98803	100.0
89.02460	3.5
91.00320	0.7
91.62620	0.7
96.96023	0.8
102.12537	0.7
109.02944	0.8
114.20773	0.7
122.03736	1.4
126.63672	0.7
135.04538	1.0
149.04543	0.9
149.06125	1.0
177.05502	0.9
191.05548	2.0
221.04489	4.9
227.20125	0.7
283.15482	6.5
311.07617	4.0
407.21353	0.8
411.16083	0.8
445.20404	2.0
457.72345	0.8
473.13000	5.5
535.20477	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2309
Annotation	Cowagarcinone E
Peak:m/z	Relative Intensity
50.09312	0.8
57.03445	1.3
59.01369	3.3
61.91237	0.9
61.98830	27.3
69.03445	1.0
69.71491	2.9
69.71912	3.0
71.01366	1.3
78.95901	45.6
80.02696	1.3
81.03448	1.8
83.01387	3.4
83.05006	2.6
93.03466	1.1
95.05018	1.8
95.32908	1.0
96.96001	1.1
96.96956	4.1
97.06583	4.6
98.20719	1.1
99.17543	1.0
109.12029	1.1
120.69360	1.0
123.04520	3.6
123.08150	2.2
125.09734	6.3
130.93393	0.9
134.98418	0.9
135.08160	2.2
137.09714	2.7
149.06052	2.0
149.09700	0.9
151.11218	1.7
152.99577	59.8
163.11293	6.1
165.12813	2.6
165.50320	0.9
167.10794	1.4
171.00620	4.4
181.12340	2.7
185.11816	4.6
191.10788	2.6
191.14433	6.8
207.10245	3.9
209.11833	23.6
211.13370	2.2
225.11298	3.2
227.03323	6.2
245.04269	3.2
245.19064	10.0
246.19116	1.3
248.14174	1.3
289.18076	23.4
290.18436	1.7
307.19141	19.8
308.19482	1.1
431.17435	3.6
443.18625	2.7
535.23114	100.0
536.23535	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	534.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02964	6.5
59.01378	10.2
61.98819	3.6
70.02977	22.4
70.20419	6.1
71.01372	3.9
71.02502	5.1
73.02921	1.6
73.04075	9.2
83.01371	1.7
85.02926	2.1
85.26794	1.3
95.02515	3.6
95.43127	1.5
96.00916	13.9
97.04063	3.0
98.02473	5.9
98.19886	1.9
101.02426	2.3
103.58042	1.2
105.72157	1.4
108.08146	1.6
110.03609	2.7
111.01968	2.0
112.07673	2.1
113.02525	1.4
113.02794	1.5
113.03566	11.5
113.19005	1.4
114.01964	45.3
115.05135	18.0
116.05041	1.6
120.99613	1.4
121.02942	11.1
122.02482	1.7
129.10320	25.7
131.04617	33.3
146.06114	19.4
151.08748	6.5
152.07124	2.3
154.99883	7.6
164.60760	1.5
167.10631	5.0
167.11917	3.4
168.11394	23.4
173.00887	8.9
186.12457	15.8
191.05624	2.2
198.07921	3.5
209.06879	2.8
210.12447	42.2
211.10854	1.8
217.09840	2.6
228.13438	10.1
241.13449	17.7
242.11871	2.2
258.16095	12.5
266.13907	2.1
276.17041	6.8
315.18213	3.5
320.81680	1.5
333.19244	2.2
357.19305	11.9
375.20340	77.0
376.20587	6.1
446.24042	2.4
455.67737	1.7
472.22009	13.0
490.23035	100.0
491.23267	10.3
516.24384	3.5
534.25665	44.9
534.32050	1.1
535.14093	2.2
535.25897	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	534.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68413	2.4
59.01377	73.9
61.98828	100.0
69.50732	2.1
71.01382	19.1
73.02940	13.2
74.02469	6.1
81.14549	2.1
83.01416	2.9
85.02958	8.8
89.02438	11.9
93.03396	3.5
96.96012	3.8
99.05627	4.2
100.96879	2.5
101.02442	9.7
109.02940	3.1
111.05632	2.7
113.02468	9.3
119.03480	4.5
120.99644	3.3
124.27310	2.6
128.03510	5.7
136.05164	3.0
137.02388	3.0
138.06822	7.7
139.07657	3.1
143.04614	9.9
147.04482	4.0
151.07629	7.2
152.08389	11.6
153.09216	32.2
160.05171	2.8
161.04582	4.9
163.04024	4.0
169.82561	2.3
173.04599	3.1
175.07645	3.1
179.07036	3.8
191.05553	5.4
205.12317	10.4
223.13380	14.6
248.24271	2.5
249.15004	2.7
250.15196	3.5
261.35611	3.0
264.72470	2.8
272.08820	7.1
280.58853	2.5
298.08423	3.9
306.07578	19.7
313.10846	13.3
326.31870	2.8
329.13940	22.9
342.04639	2.6
367.17554	10.6
373.12872	26.8
427.19568	9.7
474.18475	3.4
534.21326	8.8
535.20148	14.0
539.73737	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	534.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.2
59.01376	37.8
61.98827	100.0
70.16596	0.7
71.01379	10.6
71.52528	1.2
73.02940	12.8
83.01378	3.6
85.02961	2.8
87.00855	1.1
89.02451	3.8
92.47276	0.7
95.01403	0.8
96.96021	1.3
101.02434	12.9
107.03659	0.7
107.05061	1.2
113.02454	5.5
119.03537	1.7
120.99635	4.5
129.03401	0.8
131.03523	1.7
142.99857	1.1
143.03499	1.3
149.04565	2.0
149.06029	1.2
154.99887	2.6
155.10863	0.9
161.04568	4.3
163.11317	2.1
163.87714	0.8
173.00916	1.5
187.11349	1.1
187.73672	0.8
191.05655	3.0
191.46703	0.7
205.12311	10.9
227.12753	0.9
244.92903	0.7
283.11127	1.0
287.02194	1.2
287.15161	1.1
331.04794	1.1
357.92810	0.8
373.12976	1.3
412.95291	0.8
416.72006	0.7
503.12860	3.8
505.13797	1.3
534.17462	1.1
535.14758	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	534.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60917	0.5
58.02982	6.1
59.01382	10.8
61.98831	5.9
66.03491	0.5
71.01387	3.0
71.48900	0.6
72.00887	0.8
73.02949	1.2
74.02472	13.1
75.00861	1.0
81.04592	0.8
82.02995	1.6
84.04548	0.6
85.02949	2.0
86.02482	4.4
86.06121	0.8
86.99091	0.7
87.00862	0.9
87.05643	2.3
89.02473	1.3
90.00195	1.1
96.04527	0.6
96.96017	1.0
97.04063	1.2
99.00901	0.5
99.05644	10.6
101.02451	1.6
101.07189	1.9
102.05628	1.5
107.06148	0.7
109.04050	1.2
111.05645	0.9
112.04037	1.6
113.02463	3.0
113.03539	0.8
116.01758	0.8
123.05682	1.2
123.08127	0.7
124.04037	0.7
126.02002	0.6
127.05098	1.7
128.03540	32.1
129.03894	0.6
129.99733	0.5
131.04660	0.5
132.04568	1.0
134.06140	0.8
135.05649	3.1
135.89847	0.5
141.06676	2.2
143.04620	39.9
144.04993	0.8
145.06192	2.1
146.04628	3.3
149.04579	0.5
153.06647	2.5
160.00729	12.0
166.09802	1.9
167.04570	3.2
167.08252	2.0
175.02481	0.5
177.03400	5.0
179.04602	10.0
181.06204	1.0
185.05722	1.1
191.05545	1.0
192.07784	0.9
193.06113	0.5
197.05769	1.1
209.11693	0.8
210.08827	7.7
228.10088	0.6
242.07808	1.2
249.06189	0.8
254.07845	10.3
267.07220	2.1
272.08875	20.1
273.09064	1.1
288.06589	7.4
289.07019	0.5
306.07642	100.0
307.07834	4.5
323.10086	0.5
373.13037	0.7
459.17297	0.7
503.16797	2.6
517.19116	0.7
534.21484	4.5
535.20300	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	533.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79018	0.9
52.09689	0.9
57.03449	2.3
59.01380	85.8
60.01682	1.1
60.50870	0.8
60.99309	1.3
66.45930	0.8
66.75050	0.8
69.03448	3.4
69.33062	7.7
69.33450	1.5
71.01373	2.2
73.02947	3.5
73.26090	0.8
80.29196	0.9
87.00834	1.2
89.02445	8.6
90.38419	1.0
95.04944	0.9
96.71819	1.0
99.04495	5.6
103.03996	2.1
108.30284	1.1
109.06647	1.0
131.03500	1.1
149.04555	30.1
163.11227	0.9
165.12842	9.4
189.12845	2.2
191.10703	1.3
207.13882	15.3
208.14249	1.3
209.11835	16.5
225.14987	4.3
251.12823	7.0
253.24942	0.9
269.13925	100.0
270.14346	5.7
383.16953	1.4
395.32336	0.9
401.18149	63.2
402.18524	6.5
402.23083	1.2
533.22375	58.3
533.28918	3.3
534.22723	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	533.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09954	3.8
59.01381	80.8
61.98828	15.3
71.00997	6.7
71.01392	28.4
73.02968	4.8
78.95936	4.9
83.01395	7.7
85.02956	15.9
87.00874	5.8
93.03461	9.1
95.80898	3.6
96.96042	5.9
99.00867	5.6
99.04540	3.5
101.02443	16.5
113.02451	6.0
120.99709	4.2
173.04532	12.3
191.05580	30.0
206.06384	3.5
241.89354	4.2
257.88297	3.8
309.20901	4.7
355.32022	3.7
429.25043	23.3
447.25916	53.2
462.17712	3.8
489.27014	100.0
490.27612	8.1
533.20996	8.7
533.32599	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	533.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09954	3.8
59.01381	80.8
61.98828	15.3
71.00997	6.7
71.01392	28.4
73.02968	4.8
78.95936	4.9
83.01395	7.7
85.02956	15.9
87.00874	5.8
93.03461	9.1
95.80898	3.6
96.96042	5.9
99.00867	5.6
99.04540	3.5
101.02443	16.5
113.02451	6.0
120.99709	4.2
173.04532	12.3
191.05580	30.0
206.06384	3.5
241.89354	4.2
257.88297	3.8
309.20901	4.7
355.32022	3.7
429.25043	23.3
447.25916	53.2
462.17712	3.8
489.27014	100.0
490.27612	8.1
533.20996	8.7
533.32599	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	533.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
57.03238	0.4
57.03447	3.9
59.01378	51.2
67.01884	1.8
68.99815	2.4
69.03452	2.2
69.03809	0.4
70.00398	0.4
70.13981	1.8
71.01381	15.4
72.99277	0.5
73.02958	0.8
80.02666	0.7
81.03478	0.4
83.01380	1.9
83.05025	1.2
84.02160	0.4
85.02946	18.9
85.03461	0.9
87.00877	7.0
89.02424	1.3
91.03995	1.1
93.03455	0.4
95.01379	4.3
95.05037	0.5
97.02927	0.5
97.06575	0.9
99.00865	0.7
99.04513	5.3
100.01604	0.6
101.02435	0.7
103.00368	1.2
103.04007	0.9
109.06580	0.8
111.00902	2.3
111.04543	0.5
112.01653	1.2
113.02447	23.8
114.02844	0.4
115.00352	1.0
120.99668	0.5
121.06548	1.0
123.32034	0.5
127.03992	0.6
129.01935	2.3
131.03505	0.8
139.00351	1.3
149.04559	1.3
157.01389	1.4
165.12845	3.4
189.04050	1.2
189.12871	3.8
191.10774	1.7
205.07117	3.3
207.13892	11.0
209.11821	9.9
210.12244	0.6
225.15067	0.6
231.04964	0.5
233.11893	0.6
249.06158	4.3
250.08463	0.5
251.12904	3.3
263.07678	5.6
269.13934	7.5
270.76273	0.5
281.08768	19.8
282.09073	0.5
343.17581	8.1
343.21536	0.4
344.17825	0.9
401.18030	2.9
441.17111	0.5
457.20679	2.7
471.21762	0.8
473.20239	2.9
483.18805	0.6
501.19791	8.4
502.20151	0.9
515.21295	3.4
533.22363	100.0
534.22607	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	533.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87027	3.1
53.27541	3.2
59.01377	100.0
69.26516	31.1
71.01372	41.9
72.99306	7.2
73.02944	33.8
75.00848	3.6
75.66834	4.1
79.95718	5.2
80.17231	3.4
83.01390	6.0
85.02937	9.9
87.00856	11.2
89.02433	17.1
95.95238	3.7
96.96007	14.0
97.94785	6.0
98.95571	7.4
99.00866	4.8
101.02432	36.4
104.03545	4.3
105.01936	21.8
113.02444	17.0
116.92868	4.6
121.02940	4.3
122.03735	24.2
122.27436	3.5
124.97148	4.3
127.25005	3.2
149.06104	9.0
153.60362	4.7
161.04547	7.1
166.06337	8.1
173.04539	4.4
179.05736	4.2
191.05566	7.2
191.10730	17.5
249.14897	11.6
267.16025	23.1
306.07489	4.8
337.16544	3.9
351.05878	4.1
411.20236	25.0
429.21216	53.4
471.22272	49.0
533.15875	24.5
533.25836	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.5
57.03436	3.9
59.01382	40.7
67.01891	1.6
68.99821	0.8
69.03453	1.0
71.01381	20.9
71.52393	0.7
72.26824	0.6
72.99287	1.0
73.02940	1.7
83.01396	1.7
83.05015	1.3
85.02952	28.5
87.00887	9.6
89.02478	0.6
89.61852	0.6
95.01376	5.3
95.05019	1.2
96.96001	1.4
99.04504	3.5
100.01708	0.6
101.02441	1.7
103.00385	2.2
103.04009	0.7
108.57768	0.6
109.06588	0.9
111.00906	2.5
111.31618	0.5
112.01658	2.0
113.02455	39.8
114.02795	0.7
115.00384	1.2
119.29639	0.6
121.06602	0.9
127.04041	0.8
129.01961	3.1
131.03482	1.3
137.81480	0.6
139.00377	1.6
149.04518	1.5
153.23184	0.5
157.01389	1.3
165.12827	2.2
189.04037	0.8
189.12816	2.7
191.05547	0.9
191.10797	1.0
205.07130	3.2
207.13905	7.8
209.11826	6.9
249.06200	4.6
251.12885	2.3
263.07800	1.3
269.13965	4.0
281.08792	29.1
281.11911	1.4
282.09079	1.4
343.17630	5.5
359.79572	0.6
401.18146	1.0
457.20886	2.9
471.22305	1.1
473.20059	3.0
501.19818	8.6
502.19861	0.6
515.21271	2.8
533.22394	100.0
534.22662	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	531.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76079	2.0
53.20810	1.9
57.14721	1.9
61.98818	2.4
63.33369	1.9
66.75434	2.4
98.34171	2.2
144.67854	2.1
152.99551	2.6
163.04724	2.0
174.40138	2.2
300.46033	2.3
340.51172	2.3
368.33713	2.2
399.25385	100.0
400.25864	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	532.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.9
60.01705	0.9
61.98829	100.0
64.81738	0.8
67.66220	0.8
71.00829	1.9
71.01372	2.3
78.95908	9.4
85.02935	1.2
86.51542	1.0
101.02442	1.1
104.52221	0.8
113.02537	1.1
117.83602	0.7
119.05058	0.9
120.75773	0.9
122.42328	0.9
129.47177	0.8
149.00055	3.2
149.06046	2.0
149.99672	0.9
164.04735	1.3
165.02017	0.9
174.06801	1.0
179.07184	1.7
183.02960	1.5
247.13354	0.8
248.13968	1.9
263.45038	0.9
285.07547	1.2
355.50333	0.9
371.83301	0.8
383.24304	1.0
422.87729	0.9
447.13364	28.0
448.13712	2.9
459.27347	3.1
490.34879	1.3
532.11487	1.8
532.30768	1.6
533.31085	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	532.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	15.7
61.05140	0.5
61.98829	100.0
69.99571	1.1
69.99987	1.8
71.01385	1.5
73.02946	0.8
98.20544	0.8
147.88951	0.6
155.90042	0.7
161.04567	0.7
215.47346	0.6
293.52713	0.7
532.20184	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0937
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.82706	1.2
59.01110	2.3
59.01379	28.7
61.04322	1.3
61.98824	3.5
63.02379	1.6
69.32806	11.9
71.00993	1.1
71.01382	5.7
73.02940	2.9
78.69576	1.3
83.01382	2.9
83.04993	1.3
85.02952	3.2
87.00856	1.4
90.82867	1.5
96.96000	6.8
98.95578	2.3
101.02425	4.5
107.01386	3.1
113.02417	4.0
115.04015	2.0
116.92863	2.4
118.98093	1.8
119.03514	2.4
120.99650	5.0
121.02962	2.5
133.02951	5.5
134.03703	1.6
139.71539	1.2
149.02405	1.6
150.17581	1.4
151.00331	3.4
161.04517	2.3
177.23064	1.2
191.05624	3.2
199.03981	2.4
256.03781	5.2
284.00000	1.6
284.03268	72.0
285.04022	95.4
286.04321	3.9
327.05099	1.6
333.20520	5.7
427.52402	1.5
432.25961	1.8
444.17438	1.7
445.17834	8.0
489.10367	100.0
490.10580	11.1
533.23090	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	531.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02197	1.2
57.03423	1.6
59.01381	13.0
61.98833	6.2
67.01883	1.7
69.57915	7.4
71.01369	2.7
86.44350	1.3
93.03458	3.7
97.06565	2.6
109.02955	2.6
111.00890	1.6
114.94980	1.3
119.05029	2.4
122.03738	6.2
123.04538	2.2
134.03725	4.6
135.04552	7.3
145.02892	2.7
148.05328	2.4
149.06082	20.6
151.07481	1.4
158.03659	3.6
159.04518	12.0
161.06027	8.1
162.06863	6.8
163.07610	4.1
171.08173	14.3
172.05286	2.7
173.04620	2.7
173.06065	8.2
174.06854	51.9
175.07442	4.5
176.08363	3.9
177.09166	10.2
188.08403	4.4
189.09215	23.4
191.07109	1.7
193.08719	2.1
201.09271	1.4
203.07109	6.5
203.10658	2.9
204.07843	1.5
213.09277	1.7
217.12138	1.4
229.12373	1.8
232.10976	6.3
233.11861	8.3
234.12343	1.3
247.13379	100.0
248.13811	6.2
261.11288	9.4
279.12326	1.5
311.05466	1.4
314.74487	1.3
391.61130	1.6
480.25153	2.0
495.27911	3.3
531.20129	5.5
531.29272	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	531.252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.0
59.01373	13.2
61.98829	11.2
65.00350	1.2
70.63197	1.5
71.01361	2.0
71.53286	1.6
85.02928	2.4
93.03448	6.7
109.02934	2.0
111.00900	1.5
119.05004	1.7
121.06520	1.5
122.03711	7.4
123.00858	2.3
123.04474	1.7
134.03726	4.9
135.04527	7.6
145.02919	3.6
148.05273	3.7
149.06078	22.2
149.99564	5.8
151.07637	1.4
157.06548	1.6
158.03650	2.0
159.04495	12.5
160.05161	2.0
161.06068	8.6
162.06825	4.8
163.07632	2.5
171.08168	12.9
172.05286	3.3
173.06024	8.5
174.06847	55.8
175.07310	2.7
176.08389	2.7
177.09195	11.9
183.03004	2.1
185.08125	1.4
186.06760	1.5
188.08374	4.2
189.05597	2.3
189.09189	22.0
191.10748	1.6
193.08656	3.7
203.07121	5.5
203.10774	3.7
214.10025	2.6
227.10666	1.5
229.12230	2.4
232.11028	7.1
233.11719	6.6
243.10242	2.1
247.13382	100.0
248.13919	6.3
249.14835	1.6
260.16711	1.3
261.11325	8.2
265.08627	1.5
266.09283	2.2
305.92374	1.4
332.79797	1.4
365.17310	12.0
366.17880	1.7
395.14377	2.0
407.14951	1.4
425.19849	1.9
495.27518	3.8
516.17810	3.8
531.23029	9.4
531.29944	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	531.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69835	1.6
54.48981	1.8
59.01378	50.2
61.98829	24.5
69.59600	1.9
71.01340	2.7
71.09496	3.4
81.83324	1.8
85.02958	2.7
87.87554	2.1
93.03453	2.3
101.02426	5.3
101.97790	2.0
109.02978	2.0
113.02480	2.2
119.05031	4.4
134.03745	4.3
135.04529	5.9
149.06075	28.5
149.99583	3.5
161.06081	3.5
165.01874	2.0
172.02919	2.1
173.05951	2.2
174.06773	2.2
177.09158	7.2
178.86842	2.4
182.82089	2.1
188.53346	2.1
189.09221	21.7
194.98788	1.9
195.13936	2.3
203.71138	1.9
246.12538	3.0
247.13348	10.3
248.14151	100.0
249.14607	6.9
266.15164	7.5
268.37885	2.0
285.07635	2.5
295.22751	12.2
365.17426	8.5
443.28433	2.6
471.33081	5.2
480.25018	6.4
489.34280	7.0
495.27728	3.6
531.21729	2.4
531.28998	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	531.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24018	0.5
56.51862	0.4
57.03430	0.5
58.99597	0.6
59.01376	5.4
60.99303	0.9
61.88551	0.4
67.01885	2.6
69.03452	1.2
69.38260	2.2
69.38685	1.3
71.01396	3.2
73.02952	0.7
77.80300	0.5
81.03422	1.0
83.01369	0.5
83.05034	0.8
85.02950	7.7
87.00875	5.3
89.02432	0.5
93.03456	22.0
96.96008	0.9
99.00883	0.7
99.04473	1.0
101.02448	0.9
102.98597	5.9
103.98952	0.5
104.98167	2.8
105.03456	1.6
109.02977	1.7
111.04517	3.5
113.02428	0.9
120.99641	1.3
127.04007	2.1
129.01947	0.6
132.02150	3.2
133.02950	11.3
134.03682	1.6
135.04520	4.9
137.02399	0.7
139.04070	0.5
149.06099	0.4
155.03508	0.8
160.01663	7.5
161.02451	12.8
163.00717	0.6
165.00249	0.6
165.05501	0.6
173.04538	17.2
174.03212	0.5
177.01918	5.2
178.02666	1.1
179.03499	1.3
179.06989	0.5
191.05602	100.0
192.05962	2.8
215.05576	2.8
307.08197	0.6
339.08694	22.3
340.09058	1.2
351.07184	8.7
352.07547	0.7
357.09842	1.2
473.91782	0.5
531.14734	5.0
531.28101	1.3
532.15454	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48454	0.2
58.44541	0.2
59.01107	0.4
59.01379	4.6
61.98817	0.5
69.39705	2.1
70.29156	0.3
71.01373	0.9
73.02940	0.6
85.02937	0.7
87.00911	0.3
89.02441	0.6
93.03463	1.0
95.19599	0.2
98.19859	0.4
99.04530	0.3
99.91045	0.3
101.02437	0.5
103.88953	0.3
111.04527	0.3
113.02514	0.3
120.99656	100.0
122.00002	1.2
149.04533	0.3
173.04579	0.6
185.53477	0.2
191.05605	0.5
199.02275	0.2
213.08914	0.2
249.99535	0.3
449.14630	1.0
487.24622	0.3
489.27032	0.5
507.34631	0.3
531.19208	2.1
531.28113	4.1
532.19934	0.3
532.28888	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.7
59.01379	6.5
61.98839	1.2
69.38413	1.3
69.38828	4.3
71.01379	3.1
73.02947	2.2
78.95895	1.6
85.02962	1.5
87.00873	1.0
93.03464	2.3
96.96008	25.1
96.96985	2.0
101.02419	2.3
102.98607	0.8
111.04513	1.1
113.02444	1.1
116.92833	1.0
117.75134	0.7
120.99663	1.9
137.02431	1.4
139.02258	0.9
148.05357	1.0
149.06085	0.7
152.03027	1.9
153.00224	1.0
167.01637	1.0
168.99628	0.8
181.03256	6.5
182.04051	23.4
191.05626	4.8
195.04901	5.3
196.01968	2.0
205.06844	0.7
214.03079	1.6
231.08478	2.7
263.11008	1.5
265.09009	1.1
265.14325	1.4
279.10565	3.6
280.11368	58.2
281.12106	22.4
282.12512	1.2
333.20670	0.8
427.19281	1.0
443.17413	100.0
444.17694	9.3
445.20538	0.9
531.19025	17.2
531.26398	1.3
532.19574	2.1
537.22742	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	5.6
69.59232	16.8
69.59607	5.5
71.01378	5.0
72.98284	2.6
73.02954	3.1
85.02980	3.1
96.96011	4.5
122.03748	61.0
149.06081	11.2
151.07664	7.6
153.09238	4.6
191.05589	4.4
191.10773	10.8
224.24252	2.5
229.12329	4.9
235.13443	3.1
251.12881	13.1
265.14441	10.9
282.14523	15.1
283.15488	100.0
284.15707	7.9
427.19431	13.9
487.21918	11.2
531.14557	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	531.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02076	0.7
55.01873	1.7
57.03438	2.0
58.00588	1.9
59.01379	56.6
69.03465	1.8
71.01382	32.7
71.52139	1.6
72.64706	0.8
72.99297	2.3
73.02554	1.0
73.02940	9.3
75.00860	1.3
76.94890	0.7
83.01380	5.0
84.02145	0.8
85.02946	11.5
86.00135	0.9
87.00884	3.9
89.02444	24.9
93.03462	1.2
95.01392	2.4
99.00887	2.5
101.02443	25.3
101.03108	1.5
102.98598	1.0
103.04002	2.3
110.59052	0.8
111.00920	0.8
112.20808	0.8
113.02439	11.1
119.03492	7.9
120.99618	2.2
125.02411	0.8
129.22345	0.7
129.26953	0.7
131.03517	1.7
134.89543	1.2
143.03537	0.8
149.04555	21.7
150.04953	0.7
158.00192	0.8
158.52554	0.8
161.04573	2.0
171.10265	1.0
173.04556	0.9
191.05591	1.6
201.11325	3.0
221.15623	0.8
239.16690	0.9
256.49457	0.8
257.17545	1.3
266.83539	0.8
290.98547	0.8
298.97974	0.8
327.21844	1.5
399.20197	100.0
400.20554	7.2
449.13739	0.8
471.26141	3.5
489.26801	4.2
531.24792	24.4
532.25104	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	530.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	34.9
61.98829	100.0
64.19227	0.6
69.45486	2.0
69.45914	3.3
71.01387	2.9
73.02940	1.2
78.95880	0.6
85.02947	1.5
89.02473	2.1
93.03440	0.8
101.02453	2.9
113.02464	1.9
117.60690	0.7
119.03525	0.8
121.10252	1.1
128.70119	0.7
135.04538	0.8
161.04672	0.8
171.10300	4.9
172.10649	1.4
191.65437	0.6
195.14120	0.8
208.81735	0.6
253.09239	4.2
254.09819	2.0
272.56580	0.8
275.20264	3.0
276.20517	3.5
292.19952	0.8
293.21167	9.4
294.21545	7.6
358.12292	0.8
381.22891	1.7
388.04694	0.6
423.24020	2.1
530.28473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35302	0.4
75.48666	0.4
78.95902	19.2
85.38361	0.5
92.81634	0.4
92.86206	0.4
98.20699	0.6
144.80045	0.4
152.99568	3.8
168.04309	3.6
191.05573	0.9
196.61679	0.4
224.06900	8.4
242.07991	1.4
255.23276	100.0
256.23611	6.4
288.17819	0.5
327.83093	0.5
480.30917	63.3
481.31247	6.3
530.30127	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.9
59.01378	14.4
61.98822	1.6
69.19365	6.9
71.01379	7.3
71.05026	1.6
73.02946	1.7
78.92626	0.6
83.05035	1.5
85.02953	1.9
86.56767	0.6
87.00867	1.2
89.02429	7.5
93.03440	1.8
99.13789	0.7
101.02449	10.3
113.02419	3.6
119.03482	2.2
122.03750	0.9
135.04582	0.8
149.06046	1.4
151.07669	0.8
161.04550	2.6
173.04526	0.8
177.16414	0.8
179.05554	1.2
189.09044	0.8
191.05594	6.3
195.13867	2.0
205.12244	0.8
209.15331	0.8
223.13402	0.9
231.21140	2.1
235.08145	0.9
235.17017	39.4
236.17363	1.8
253.09268	38.6
254.09746	1.4
263.12863	3.6
267.15878	1.0
275.20151	50.8
276.20471	3.1
292.10217	0.7
293.21219	100.0
294.21567	6.0
337.87494	0.7
469.15781	0.7
475.81952	0.7
529.28381	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	529.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.9
59.01378	100.0
60.01708	1.6
61.98831	5.9
70.46826	0.5
71.01379	7.6
71.52213	0.8
73.02948	1.9
75.11942	0.5
83.01405	0.8
83.05008	1.0
85.02968	5.2
87.00874	0.6
89.02461	0.8
92.79057	0.5
93.03450	0.7
94.86932	0.5
95.01388	1.0
96.96114	0.6
97.06620	0.6
97.60416	0.5
99.00869	1.0
101.02440	4.1
101.62335	0.5
109.02991	0.6
113.02459	4.8
116.08751	0.6
122.03762	0.6
125.02498	0.7
128.36208	0.6
130.98592	0.6
134.03757	0.9
135.04575	0.8
137.02518	0.5
138.03259	1.6
143.03516	0.7
147.63042	0.5
149.06097	1.7
161.04590	2.0
162.06860	0.7
163.07727	0.6
173.04573	0.8
174.06906	0.6
176.08597	0.6
177.09312	0.8
178.02876	0.6
189.09134	0.7
191.05696	2.1
194.70775	0.5
198.84824	0.6
209.15430	0.7
235.13528	0.6
243.67690	0.5
247.13551	0.6
263.12827	3.1
265.14505	2.2
275.20248	0.7
293.21216	0.7
303.31601	0.5
319.30118	0.5
325.27576	1.3
469.31677	7.5
470.32367	0.9
485.28918	1.6
487.32828	6.8
488.33176	0.7
518.28369	0.7
529.27673	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	530.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53099	0.5
59.01379	28.2
59.58243	0.5
61.98829	100.0
71.01385	3.0
71.53110	0.5
71.53533	0.7
73.02943	0.7
83.05019	0.6
83.52551	0.5
85.02973	0.9
89.02454	1.3
93.03453	1.2
96.05372	0.5
101.02457	1.5
113.02473	1.5
119.44634	0.5
122.03741	1.1
135.04543	0.7
145.72670	0.5
149.06114	2.0
191.05603	1.1
200.04733	0.5
228.69232	0.5
242.87881	0.6
247.13432	0.8
249.15086	0.7
253.09384	0.7
261.51260	0.6
263.12924	1.3
264.13339	1.2
266.14911	0.9
276.20419	0.6
293.21240	2.3
294.21686	1.5
381.22906	1.5
401.06638	0.8
471.33301	0.7
486.28653	0.8
530.28265	2.8
531.16455	2.6
531.29150	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.3
58.00569	0.5
59.01376	9.6
67.01867	0.7
69.03437	0.4
69.18421	0.9
69.18826	2.3
71.01011	0.6
71.01381	6.9
73.02929	1.0
81.03429	0.5
83.01377	0.8
83.05009	0.4
85.02951	1.5
87.00882	1.4
89.01945	0.3
89.02438	6.3
93.03457	4.0
95.01381	1.0
97.02875	0.3
99.00851	0.5
101.02435	6.6
105.62444	0.3
111.04493	1.0
111.08131	0.5
113.02441	3.3
119.03455	1.9
125.02383	0.4
129.85716	0.3
134.03688	0.5
135.04514	0.6
143.03484	0.8
161.04573	3.4
167.10704	0.5
173.04523	3.2
176.17540	0.3
179.05603	1.7
179.14418	0.8
191.05586	1.5
195.13892	9.6
196.14520	1.0
205.15990	0.6
211.13278	0.5
223.13376	6.5
228.13544	0.6
231.21100	0.3
235.08171	0.4
253.09276	31.6
254.09630	1.3
256.13153	1.5
265.21719	0.6
275.20078	4.9
276.20532	0.7
293.21207	100.0
294.21555	7.3
384.47379	0.4
492.21753	0.5
529.20972	1.5
529.27911	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3016
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
55.01876	1.2
57.03437	2.0
59.01111	1.3
59.01379	17.3
61.98831	4.9
67.01877	1.4
68.99818	1.7
69.03445	1.2
69.60530	0.8
71.01380	18.6
71.52110	0.7
72.99311	6.4
73.02942	1.2
75.00873	21.7
78.95901	3.9
81.03439	1.2
83.01381	1.2
85.02952	21.7
87.00870	8.6
87.29990	0.9
89.02434	4.0
93.03449	1.9
95.01377	4.2
96.97039	1.1
99.00877	12.2
103.00368	1.8
111.00877	1.1
112.74151	0.8
113.02449	27.3
115.00347	3.1
117.01935	2.9
125.09716	0.9
129.01865	1.6
152.99597	4.1
157.01389	1.7
173.04558	1.1
175.02512	4.6
191.05589	6.2
205.07112	1.4
211.13440	1.8
227.37988	0.7
231.05092	2.2
249.06155	22.8
250.06496	1.6
267.07230	3.3
277.21756	1.8
279.23285	97.5
280.23651	6.0
351.01508	0.8
469.27957	1.3
511.29175	3.3
529.30170	100.0
530.30316	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	529.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01715	0.9
61.98827	8.0
70.27643	0.6
71.01378	9.2
71.52473	1.3
73.02946	11.2
75.53152	0.6
78.95934	0.7
79.95770	0.8
81.03478	1.1
81.38641	0.6
83.01391	3.6
85.02943	2.1
87.00852	0.6
89.02458	3.9
93.03532	0.8
95.01421	0.8
96.96021	7.5
97.02954	0.7
97.06598	0.6
98.98179	0.6
99.00880	0.8
99.04543	2.3
101.02448	10.4
102.98573	1.5
113.02447	5.4
119.03532	1.3
123.08118	0.7
125.02457	4.6
131.03487	0.9
138.06897	0.9
139.07651	1.3
143.03531	2.2
149.04520	2.9
152.99596	0.9
161.04532	4.0
187.02531	2.1
191.05672	1.2
192.11604	0.9
203.14426	1.7
221.15538	1.4
265.14420	8.1
281.10483	1.3
301.20190	1.2
409.18536	2.9
427.19818	4.1
441.00986	0.9
467.26657	0.7
469.20718	6.3
529.24310	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	529.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20886	0.9
59.01379	100.0
61.98824	6.7
65.76364	0.9
69.38384	1.6
69.38786	5.6
71.01379	3.8
73.02957	2.2
78.95887	1.0
79.95741	1.5
85.02939	2.5
87.00888	1.4
89.02457	2.1
93.03451	1.4
96.96012	7.6
99.56644	0.9
101.02443	3.6
101.82022	1.0
102.98614	6.3
108.02147	1.8
113.02404	1.1
116.84631	0.9
118.98114	3.0
120.99630	2.3
122.03709	3.8
125.02443	2.1
135.04500	1.5
149.06046	1.1
151.00322	1.9
152.01144	2.0
161.04543	1.1
173.04517	1.6
176.08429	15.6
177.08990	1.7
187.02422	1.3
191.05594	4.0
191.10817	7.5
225.84880	0.9
264.13696	3.3
265.14432	26.4
266.14941	2.3
267.15952	6.9
280.75439	0.9
287.05484	1.4
309.36981	1.1
356.11002	1.0
409.18570	1.3
411.13611	1.0
452.24744	0.8
485.17502	1.1
529.14758	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16267	1.2
52.96160	1.2
53.20260	1.6
55.08194	1.4
57.03454	6.8
58.99616	1.6
59.01376	76.0
61.98838	8.4
64.82601	1.4
68.99803	3.1
69.30828	9.1
70.50421	1.3
71.01028	2.6
71.01376	32.7
71.70443	1.3
71.75741	1.2
72.99313	7.9
73.02909	4.2
75.00870	22.4
81.03387	1.7
83.01355	2.5
83.05001	1.7
85.02470	2.5
85.02948	36.0
87.00872	13.2
89.02431	9.6
93.03429	4.0
94.45807	1.3
95.01400	7.1
99.00869	11.9
99.04485	5.4
101.02386	3.7
102.98550	6.1
103.00330	3.2
104.98132	5.0
111.00848	2.3
111.04473	2.1
111.06718	1.4
113.02445	42.0
115.00340	3.8
117.01873	3.6
121.06598	1.8
122.03715	3.0
123.04414	1.5
129.01862	2.4
135.04448	2.4
149.06030	2.7
173.04469	1.8
175.02412	2.5
189.09174	2.0
191.05559	9.2
195.04921	1.6
205.07013	2.8
231.05016	2.4
233.11507	1.9
235.16922	3.4
249.06137	37.2
249.14703	1.8
263.12717	3.6
265.14023	1.9
267.07181	100.0
268.07437	3.5
279.15973	10.0
293.21310	2.7
310.30234	1.5
447.33307	1.4
469.20471	1.8
469.31656	3.1
485.28156	2.0
529.22437	70.7
530.22845	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	529.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16267	1.2
52.96160	1.2
53.20260	1.6
55.08194	1.4
57.03454	6.8
58.99616	1.6
59.01376	76.0
61.98838	8.4
64.82601	1.4
68.99803	3.1
69.30828	9.1
70.50421	1.3
71.01028	2.6
71.01376	32.7
71.70443	1.3
71.75741	1.2
72.99313	7.9
73.02909	4.2
75.00870	22.4
81.03387	1.7
83.01355	2.5
83.05001	1.7
85.02470	2.5
85.02948	36.0
87.00872	13.2
89.02431	9.6
93.03429	4.0
94.45807	1.3
95.01400	7.1
99.00869	11.9
99.04485	5.4
101.02386	3.7
102.98550	6.1
103.00330	3.2
104.98132	5.0
111.00848	2.3
111.04473	2.1
111.06718	1.4
113.02445	42.0
115.00340	3.8
117.01873	3.6
121.06598	1.8
122.03715	3.0
123.04414	1.5
129.01862	2.4
135.04448	2.4
149.06030	2.7
173.04469	1.8
175.02412	2.5
189.09174	2.0
191.05559	9.2
195.04921	1.6
205.07013	2.8
231.05016	2.4
233.11507	1.9
235.16922	3.4
249.06137	37.2
249.14703	1.8
263.12717	3.6
265.14023	1.9
267.07181	100.0
268.07437	3.5
279.15973	10.0
293.21310	2.7
310.30234	1.5
447.33307	1.4
469.20471	1.8
469.31656	3.1
485.28156	2.0
529.22437	70.7
530.22845	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	529.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.8
58.73478	0.6
59.01377	8.0
60.99305	5.5
61.98825	3.1
64.65513	0.5
67.01890	15.2
69.03455	4.6
71.01373	5.8
71.05006	0.6
71.53013	1.1
72.99290	0.6
81.03442	3.2
81.42064	0.4
82.65252	0.6
83.05013	2.5
85.02943	1.6
87.00878	19.2
88.41706	0.6
93.03457	100.0
94.03808	2.2
94.52236	0.6
99.00901	1.4
99.04514	1.4
101.02424	1.4
106.04303	0.5
108.02171	0.6
109.02943	1.7
111.04525	13.1
113.02434	1.9
119.05004	0.5
122.03712	1.0
123.04489	0.5
124.01677	1.4
125.02457	0.6
127.03964	0.7
129.01932	2.1
133.02980	1.5
134.03743	10.9
135.04524	19.1
136.05284	1.1
137.02435	2.1
138.03233	1.2
143.03476	1.5
149.06068	2.1
150.03239	0.7
151.03967	2.5
151.11252	1.5
152.35831	0.6
153.45877	0.5
155.03494	2.9
161.02408	0.6
161.09634	0.6
163.04015	0.6
163.07640	0.7
169.12309	2.7
173.04539	57.8
174.04869	1.8
177.01945	0.9
177.09242	1.0
177.12822	2.9
178.02715	1.7
179.03526	3.8
180.04279	0.7
182.11227	0.5
189.09123	0.7
191.05591	10.5
201.52347	0.6
204.88861	0.5
207.10335	0.5
209.11783	2.8
213.11319	0.5
215.05470	0.5
227.12852	0.7
227.89745	0.5
232.45410	0.4
235.13411	1.3
247.13422	1.5
248.13966	0.8
263.12894	10.1
264.13574	1.0
265.14474	1.0
266.15143	0.7
281.13974	0.8
287.15277	0.6
290.07837	1.1
293.20819	0.9
307.08212	2.8
308.08960	7.7
337.14426	1.2
351.07303	4.5
352.07968	7.4
353.07980	0.7
355.15543	2.3
467.27936	0.7
485.28564	1.2
486.08536	0.5
497.27530	2.2
511.26889	1.1
529.20758	24.3
529.27911	5.5
530.20807	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	529.211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.1
58.99601	16.7
59.01376	3.5
59.99945	0.2
61.98812	0.1
69.03435	0.1
71.01362	0.5
71.52659	0.2
73.02953	0.4
74.99092	2.3
79.95758	0.1
80.96535	0.1
85.02927	0.5
86.23801	0.1
89.02454	0.2
93.03427	0.4
96.96020	1.3
97.06647	0.1
99.04521	3.5
101.02435	0.4
102.98593	100.0
103.98956	1.3
108.02047	0.2
113.02447	0.2
120.99654	3.0
126.03072	0.1
133.01576	0.8
135.04492	0.2
137.02377	0.2
150.03055	0.2
150.04202	2.0
151.02675	0.8
151.03761	0.1
151.04520	0.3
152.99620	0.1
163.00697	7.7
164.01094	0.1
173.04623	0.4
175.35455	0.1
179.03490	0.2
179.07137	0.1
191.05609	0.7
281.13681	0.1
289.18076	0.1
307.19159	0.5
311.92566	0.1
335.88812	0.1
343.54547	0.1
353.08420	0.1
355.04526	0.1
407.79044	0.1
430.04120	0.1
487.25278	0.1
529.19702	1.4
529.26514	1.0
530.20569	0.2
530.27673	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68013	0.4
59.01379	5.2
61.98822	1.1
63.23112	0.4
69.03488	0.4
71.01392	1.0
71.52971	0.8
73.02941	0.9
83.05002	0.7
85.02953	1.3
87.00872	0.9
93.03455	1.2
96.96044	0.8
99.04534	2.4
102.98618	1.2
103.21645	0.4
104.81623	0.4
104.98203	0.6
111.08173	0.4
113.02407	0.5
120.99653	100.0
121.99998	0.9
122.03760	0.6
127.03902	0.5
134.03728	0.6
135.04526	0.8
136.91557	0.4
149.04462	0.5
149.06097	1.1
159.08247	0.5
161.02415	0.6
163.04008	0.5
171.08217	0.6
173.04578	0.6
174.06837	0.7
176.08382	0.7
177.09250	0.7
187.07637	0.7
189.09187	1.2
191.05603	6.6
196.56773	0.4
233.11836	0.6
263.12866	1.2
264.13596	0.8
265.14651	0.7
331.19052	1.1
387.25693	0.5
456.17776	0.4
485.23883	1.2
497.14908	2.4
514.25470	1.7
529.17340	5.9
529.27704	3.7
530.28149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.8
58.73478	0.6
59.01377	8.0
60.99305	5.5
61.98825	3.1
64.65513	0.5
67.01890	15.2
69.03455	4.6
71.01373	5.8
71.05006	0.6
71.53013	1.1
72.99290	0.6
81.03442	3.2
81.42064	0.4
82.65252	0.6
83.05013	2.5
85.02943	1.6
87.00878	19.2
88.41706	0.6
93.03457	100.0
94.03808	2.2
94.52236	0.6
99.00901	1.4
99.04514	1.4
101.02424	1.4
106.04303	0.5
108.02171	0.6
109.02943	1.7
111.04525	13.1
113.02434	1.9
119.05004	0.5
122.03712	1.0
123.04489	0.5
124.01677	1.4
125.02457	0.6
127.03964	0.7
129.01932	2.1
133.02980	1.5
134.03743	10.9
135.04524	19.1
136.05284	1.1
137.02435	2.1
138.03233	1.2
143.03476	1.5
149.06068	2.1
150.03239	0.7
151.03967	2.5
151.11252	1.5
152.35831	0.6
153.45877	0.5
155.03494	2.9
161.02408	0.6
161.09634	0.6
163.04015	0.6
163.07640	0.7
169.12309	2.7
173.04539	57.8
174.04869	1.8
177.01945	0.9
177.09242	1.0
177.12822	2.9
178.02715	1.7
179.03526	3.8
180.04279	0.7
182.11227	0.5
189.09123	0.7
191.05591	10.5
201.52347	0.6
204.88861	0.5
207.10335	0.5
209.11783	2.8
213.11319	0.5
215.05470	0.5
227.12852	0.7
227.89745	0.5
232.45410	0.4
235.13411	1.3
247.13422	1.5
248.13966	0.8
263.12894	10.1
264.13574	1.0
265.14474	1.0
266.15143	0.7
281.13974	0.8
287.15277	0.6
290.07837	1.1
293.20819	0.9
307.08212	2.8
308.08960	7.7
337.14426	1.2
351.07303	4.5
352.07968	7.4
353.07980	0.7
355.15543	2.3
467.27936	0.7
485.28564	1.2
486.08536	0.5
497.27530	2.2
511.26889	1.1
529.20758	24.3
529.27911	5.5
530.20807	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	529.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.7
59.01072	0.6
59.01378	10.8
60.99303	4.8
61.98828	7.1
62.09281	0.4
65.03957	0.6
67.01887	13.7
69.03445	5.0
70.30699	1.5
71.01374	9.2
73.02947	1.4
81.03434	2.5
83.01360	0.7
83.05007	2.7
85.02936	2.3
87.00877	17.9
89.02449	4.2
93.03455	100.0
94.03801	2.0
97.02928	0.7
98.20533	0.8
99.00877	1.9
99.04520	2.0
101.02439	5.8
108.02191	0.7
109.02943	1.7
111.04515	14.9
113.02435	3.8
114.45262	0.5
115.04025	0.9
119.03511	0.9
122.03734	0.6
125.02393	0.7
129.01945	3.1
133.02945	0.6
134.03720	10.7
135.04529	6.8
137.02455	1.0
143.03516	2.3
147.37022	0.5
149.06076	1.1
155.03491	3.6
155.10742	0.6
161.04558	2.2
173.04535	72.1
174.04849	1.9
177.01939	0.6
177.12807	2.9
178.02664	1.0
179.05649	1.0
179.14423	0.8
180.84227	0.5
183.10281	2.9
183.13910	0.8
191.05617	5.1
195.13904	5.8
196.14413	0.9
205.35283	0.5
211.13423	0.9
223.13373	3.3
235.13458	0.5
247.13370	0.6
248.14081	0.9
249.15048	0.7
253.09271	23.5
254.09576	1.0
256.13147	0.7
263.12912	0.6
265.14481	0.7
275.20163	5.5
293.21207	82.3
294.21536	3.9
351.07645	1.2
352.08020	0.8
355.15555	3.3
485.28598	0.6
529.20721	35.9
529.27747	4.5
530.21088	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	529.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11156	0.5
52.34840	0.6
53.79800	0.6
59.01365	1.7
61.98802	0.6
69.64216	3.6
74.18179	0.5
78.95889	0.6
79.95734	35.2
80.96516	3.8
94.98069	2.1
95.95230	19.1
96.96008	74.4
98.19984	0.9
98.95612	2.8
99.92559	0.6
110.81426	0.6
110.97533	0.8
115.92049	2.4
116.92827	1.2
121.02980	0.7
122.97580	24.5
123.04517	0.6
135.04486	2.3
136.01666	1.2
141.95760	1.4
143.07089	0.8
145.02933	3.2
146.03735	76.3
147.04518	3.2
149.02415	3.8
161.06078	24.5
161.07436	1.1
162.03183	1.9
162.04465	0.6
163.04002	3.7
164.04790	55.7
165.05145	2.3
177.05547	3.0
179.07130	64.9
180.07463	2.8
180.93896	0.6
191.05620	1.0
195.04842	0.6
274.01529	1.1
349.05960	60.5
350.06314	3.0
529.13806	100.0
530.14044	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	529.1561
Annotation	Pikuroside
Peak:m/z	Relative Intensity
54.43709	0.9
56.21739	0.7
57.03431	2.1
59.01385	6.3
60.99297	3.1
61.98819	2.6
67.01889	9.0
69.03442	1.9
69.49038	0.8
69.70955	1.8
69.71370	2.7
71.01381	4.6
73.02937	1.0
79.95719	1.8
80.96564	0.9
81.03460	1.7
83.05024	1.5
85.02942	5.7
85.03386	0.8
86.73648	0.8
87.00877	12.4
88.61152	0.8
89.02464	1.0
93.03460	62.6
94.03799	1.8
96.96007	6.2
98.19956	0.9
99.00890	1.3
99.04530	1.2
101.02419	1.6
109.02972	1.1
111.04529	8.5
115.04030	0.8
115.43633	0.7
122.97561	0.8
127.03999	1.9
129.01987	1.2
134.03743	17.4
135.04541	1.2
136.89706	0.8
137.02422	2.4
139.03969	0.8
146.03693	1.0
146.11787	0.8
149.06056	6.2
150.03281	1.0
155.03517	2.0
159.85463	0.8
164.04733	1.0
173.04539	19.6
175.03960	1.1
178.02721	10.1
179.07144	1.5
191.05611	100.0
192.05957	2.8
193.05052	21.7
270.88593	0.9
349.05920	1.1
367.10306	24.0
368.10583	2.1
409.11255	4.3
421.36154	1.0
529.15607	81.3
530.16071	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	527.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17250	1.5
58.49514	1.7
59.01376	2.2
60.99310	13.8
61.98840	1.7
68.49592	1.8
71.52084	2.7
81.03460	1.8
88.98801	100.0
98.95605	1.6
134.69424	1.6
140.24248	1.6
152.99646	1.6
253.16907	1.5
391.41086	1.5
409.31165	1.7
437.32803	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	527.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
59.01379	100.0
61.98824	5.3
62.58059	0.8
65.24708	0.8
71.01376	6.6
71.52979	1.1
73.02947	2.7
83.01412	1.0
83.05013	1.6
85.02963	5.3
87.00894	1.2
89.02448	1.9
93.03453	2.4
95.05012	1.7
97.06586	1.2
99.00882	1.6
101.02430	4.4
107.04958	1.0
109.02968	1.3
113.02454	3.7
122.03746	1.9
125.09719	1.1
134.03722	1.3
135.04514	1.4
145.23611	0.9
149.06108	3.2
159.04477	1.4
161.04578	5.5
163.07622	1.4
163.11320	1.3
165.05525	1.0
167.97977	0.8
173.04579	1.1
173.06139	0.9
174.06911	1.5
175.11459	1.0
181.12347	2.1
187.07652	1.4
189.05632	1.7
189.09236	2.1
191.05592	6.8
207.10309	1.2
209.11813	3.3
219.10280	1.1
225.11340	3.4
227.12856	1.2
233.11998	1.1
237.14954	2.1
243.12344	1.4
263.12869	2.4
264.13834	1.2
279.12305	1.8
291.19617	1.3
317.16028	1.6
318.60931	0.9
359.56927	1.0
384.15860	2.0
465.26120	0.9
467.30194	6.1
483.27850	6.2
484.27991	0.9
509.25513	3.7
512.24225	3.3
527.26428	22.6
528.26685	3.8
537.62640	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.3
59.01376	14.6
61.98817	0.9
66.27798	0.8
67.01880	0.9
68.99812	1.4
69.03419	1.5
71.01383	17.6
71.01768	1.0
72.99304	6.5
73.02968	2.1
75.00872	22.3
78.87020	0.7
78.95910	1.9
81.03452	1.0
83.01388	1.0
84.20464	0.8
85.02457	1.5
85.02950	23.9
87.00875	7.2
89.02439	4.2
93.03474	0.9
95.01372	6.3
99.00869	11.4
99.04499	1.1
103.00350	2.4
113.02448	32.7
115.00360	1.9
117.01932	2.9
129.01949	1.1
152.99551	4.2
175.02438	4.9
189.04027	0.9
204.24696	0.9
205.07169	1.7
231.05008	2.7
244.68864	0.9
249.06116	24.4
267.07208	4.7
277.21710	85.8
278.22043	6.6
321.66074	0.9
440.27783	0.9
449.29294	0.9
467.26450	1.0
509.27530	4.1
527.28595	100.0
528.28662	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	527.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38998	1.6
57.03451	4.3
58.51795	1.3
59.01381	20.4
61.98846	3.2
71.01385	25.7
71.53365	3.3
72.99310	7.0
73.02945	2.2
75.00871	20.5
79.95739	1.6
80.96525	9.6
83.01387	1.7
83.05078	1.3
85.02952	28.8
87.00871	10.8
89.02439	7.7
94.98147	2.6
95.01411	6.8
99.00887	11.6
99.30144	1.4
103.00391	2.9
113.02446	41.6
115.00397	2.1
117.01965	4.0
129.01952	1.6
134.97690	1.8
140.62450	1.5
147.92050	1.8
148.99217	1.5
152.99641	3.7
157.01509	3.3
164.98700	2.8
175.02434	6.8
203.23605	1.6
205.07190	3.4
225.00758	3.0
231.05171	1.9
249.06183	9.8
267.07181	9.9
277.21732	72.8
278.22162	3.5
354.65521	1.6
467.26468	1.9
509.27750	2.4
524.12427	1.7
527.28802	100.0
528.29181	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	527.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25238	2.0
61.59410	1.4
61.98824	5.7
63.98489	1.7
83.23930	1.7
97.82840	1.5
99.92573	9.8
116.92863	100.0
117.92884	4.0
121.17051	1.4
138.68326	1.5
157.87257	1.4
165.33966	1.5
167.08519	1.7
182.52676	1.7
198.07631	1.5
219.94908	1.4
242.28246	1.8
293.59311	1.5
547.82153	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	527.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.3
59.01375	28.3
61.98830	23.7
71.01387	14.9
71.11400	2.5
71.52467	3.5
73.02944	4.4
83.05029	38.8
85.02942	8.5
93.03458	4.2
96.96010	9.1
99.04507	5.7
101.02444	7.4
102.98605	13.7
107.05029	3.2
111.04501	3.5
113.02431	5.2
118.98075	8.3
122.03735	11.0
134.03725	19.9
135.04498	16.2
135.08218	4.0
145.10199	2.8
148.05287	7.2
149.06075	72.4
158.03691	3.4
159.04498	19.7
160.05232	5.7
161.04611	6.6
161.06042	14.9
162.06850	3.3
163.07634	10.5
171.08138	14.9
172.05269	3.3
173.06079	10.9
173.09608	2.8
174.06847	63.5
175.07544	9.6
176.08415	6.7
177.09206	16.0
179.51884	2.6
185.06015	3.7
187.07631	7.1
188.08430	8.0
189.09224	59.3
191.05603	11.0
191.10802	4.4
197.09694	5.9
200.08263	2.8
203.07068	3.5
205.08716	3.9
212.08421	2.9
215.10713	11.7
227.07239	2.9
227.10638	2.7
233.11798	12.2
241.08559	3.4
245.11786	7.0
247.09624	5.6
263.12875	100.0
264.13321	7.6
267.10181	3.4
341.13730	6.3
353.13782	3.2
355.15506	7.4
381.17032	3.6
384.15735	9.2
398.17078	3.9
412.53769	3.5
437.19611	8.7
455.20703	2.8
456.22238	3.2
467.26331	17.0
468.26807	3.6
470.32138	3.1
483.27286	3.5
512.24170	76.0
513.24524	12.6
527.19440	3.7
527.26654	38.2
528.27545	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	527.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41901	0.6
57.03444	6.7
58.99602	17.2
59.01378	14.3
60.79949	0.5
61.98819	3.4
69.03441	0.6
69.21777	2.9
69.22206	2.4
71.01383	1.9
71.05036	0.8
73.02954	0.9
74.99088	4.6
79.05524	0.7
83.05019	5.7
85.02957	1.1
87.00873	1.1
87.04498	0.6
89.02440	0.7
95.05040	1.6
97.02944	1.1
97.06563	0.8
99.00855	1.3
99.04519	37.6
100.04874	0.6
101.02425	0.7
102.98594	100.0
103.98986	1.0
104.98175	0.6
107.04999	0.8
109.02962	1.0
109.06581	1.4
113.02489	0.9
119.08620	0.6
120.99658	12.8
121.06600	2.7
122.03734	2.3
123.04534	1.6
123.08140	0.8
124.96735	0.6
125.09744	0.7
127.07625	1.1
133.06558	0.9
134.18877	0.5
135.04512	2.5
138.03221	0.9
142.27437	0.5
145.10133	0.7
147.08188	1.0
148.05447	0.6
149.06099	4.2
149.07083	0.6
149.09709	2.4
151.07582	0.6
159.04536	0.9
159.11804	1.1
161.06140	0.9
161.09641	0.7
162.06815	0.9
163.00693	6.0
163.07629	4.0
163.11301	2.1
164.04782	1.3
171.10300	1.2
173.06058	1.0
175.07603	3.6
176.08516	0.7
177.09212	1.4
181.12334	1.4
187.07631	0.9
189.09196	1.6
189.12827	1.2
191.05609	1.2
191.10794	2.6
197.11932	1.0
201.09154	0.7
201.12880	1.4
207.10202	1.6
209.10159	0.6
209.11783	3.6
219.13779	1.4
221.11945	0.6
221.15416	0.8
225.11371	2.3
227.12880	1.5
229.08574	0.9
231.10175	0.7
233.11829	24.2
234.12151	1.3
237.14989	1.2
243.12257	1.5
245.11768	1.0
251.12904	5.5
263.12814	15.0
264.13553	0.8
265.14349	0.9
278.89969	0.7
279.12415	2.2
283.09695	0.6
291.19659	1.0
297.11508	4.8
317.16150	0.8
325.14569	0.9
327.15833	0.6
367.12192	1.0
384.15884	1.6
397.23825	2.7
409.23935	2.0
465.26617	1.0
483.27582	6.4
485.18286	4.6
509.25815	0.9
512.23914	5.2
527.19373	8.9
527.26746	22.1
528.19659	1.0
528.27063	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99604	19.0
59.01377	2.5
68.65430	0.2
69.32658	1.9
69.39584	0.2
74.99103	2.5
91.25056	0.2
99.04517	1.6
101.06033	0.6
102.98596	100.0
103.98960	1.2
107.33981	0.3
114.61156	0.3
120.99657	2.4
133.01463	0.2
134.89934	0.2
139.85208	0.2
149.04547	0.4
163.00702	4.5
170.23773	0.2
189.09071	0.2
194.80789	0.2
260.94595	0.3
263.12869	0.4
439.21161	0.3
507.21567	0.2
515.07245	0.3
527.18927	0.3
527.26233	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40606	0.5
59.01382	2.5
61.14759	0.5
61.98806	0.9
63.96242	1.3
68.45660	0.5
69.03462	1.0
69.79301	2.5
71.01388	6.5
73.02963	1.6
74.69637	0.5
78.98600	4.0
79.95739	10.7
80.96519	57.4
81.03453	1.3
84.10696	0.5
85.02969	3.1
87.00877	2.3
94.98093	12.6
96.96012	8.7
97.02940	1.0
98.95593	1.2
101.02446	2.3
106.98067	3.4
115.00395	1.3
115.92100	0.9
122.97569	2.8
125.02431	2.6
134.97594	4.1
136.99168	0.9
148.99144	5.1
152.35901	0.5
152.98640	5.1
154.06334	0.7
164.98636	10.6
191.05582	0.9
206.99702	2.9
209.11835	2.6
213.90468	0.6
225.00739	16.2
284.94373	0.6
299.04517	3.0
317.05246	0.6
326.11569	0.8
527.18066	100.0
528.18396	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68048	0.3
57.03446	0.5
58.67399	0.4
59.01380	3.2
60.47751	0.4
61.98834	1.3
62.96108	0.4
63.96257	0.5
69.66752	1.7
71.01379	6.8
73.02946	1.6
78.98593	5.0
79.95738	9.6
80.96516	53.6
81.03450	0.5
82.86162	0.3
85.02948	2.4
87.00879	2.5
94.98085	12.1
94.98689	0.8
96.96004	9.7
97.02943	1.0
97.13564	0.4
98.95559	1.0
99.00880	0.5
101.02411	2.2
106.98102	2.8
110.63441	0.4
115.00384	0.7
115.92062	0.6
122.97569	2.8
125.02460	2.0
127.04038	0.7
128.03500	0.4
131.89261	0.4
134.97580	4.2
136.99141	1.1
148.99153	5.1
152.98634	5.5
164.98627	10.8
188.98688	0.6
191.05595	0.7
206.99724	1.5
209.11861	3.1
225.00728	14.8
226.01048	0.5
299.04385	3.5
317.05505	0.5
527.18042	100.0
528.18378	9.0
528.25793	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39451	0.7
55.02905	0.6
57.03430	0.9
57.09124	0.6
58.99596	3.0
59.01378	21.1
60.01720	0.8
61.98830	100.0
63.78786	0.6
70.00729	3.3
71.01394	2.2
83.05034	1.0
85.02969	1.2
87.04515	36.6
89.02417	0.7
97.06635	0.8
99.00893	1.0
99.04530	2.0
99.92619	2.0
101.02456	1.4
102.98594	15.1
103.98974	1.8
104.98186	1.2
113.02441	1.4
120.99705	1.2
122.03728	0.9
135.04527	1.4
143.99139	1.1
149.06046	1.0
162.06918	1.1
163.00789	1.4
163.07625	0.7
164.04823	1.4
165.05507	0.7
173.06099	0.6
181.12332	2.1
191.05612	0.7
207.10318	1.8
209.11827	3.9
225.11395	2.3
243.12419	1.1
263.12985	2.7
279.12531	1.5
291.19687	1.4
294.02261	0.7
302.97180	0.7
317.16217	1.3
384.15976	0.7
420.90051	0.7
469.61108	0.7
512.24066	0.9
526.26404	1.4
527.18927	1.5
527.26666	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	526.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31461	0.3
61.98829	100.0
66.98679	0.3
69.39623	0.3
70.05680	0.3
71.21753	0.4
71.22067	0.4
83.26732	0.3
93.15269	0.3
93.81133	0.3
96.96009	1.0
100.07242	0.3
108.92939	0.3
144.04587	1.1
167.03540	1.0
188.03523	0.9
238.00658	0.3
266.57205	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67476	0.6
57.03444	1.6
58.99598	5.0
59.01380	29.6
61.98829	100.0
69.31018	4.0
69.31425	1.0
71.01378	2.1
71.36678	0.6
73.02962	1.3
74.99101	1.4
82.69065	0.6
83.05025	0.8
85.02954	1.8
87.00877	1.1
87.04514	22.9
89.02432	1.3
99.04520	10.9
99.92615	1.4
101.02465	1.4
102.98592	26.0
107.05037	0.9
113.02468	2.3
120.99650	3.8
122.03738	1.3
139.83069	0.7
142.71632	0.6
143.99191	0.9
149.09790	0.8
159.11781	0.6
161.04613	0.7
163.00705	1.6
163.07655	0.9
175.07652	0.9
191.05710	1.3
199.58957	0.6
201.13052	0.6
232.25552	0.6
233.11871	4.9
249.12691	0.6
251.12904	1.3
263.12985	2.4
267.07251	0.8
281.08887	1.3
291.19815	0.9
297.11676	0.9
323.13843	0.6
327.02603	0.6
377.22079	0.8
384.15964	1.0
442.16626	0.6
483.27853	1.2
485.18573	1.1
512.24457	1.7
526.26233	1.4
527.19531	3.6
527.26135	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	525.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00997	0.3
54.21995	0.3
57.03446	0.4
58.99604	16.0
59.01377	6.7
59.85653	0.3
71.01373	1.3
71.52584	0.5
71.52950	0.4
71.53613	0.3
74.99100	2.9
78.31620	0.3
83.93537	0.3
85.02936	1.6
87.00892	0.6
89.02428	0.5
92.93736	0.3
97.06558	0.4
99.04517	26.3
101.02471	0.4
102.98593	100.0
103.98972	0.8
107.45795	0.3
113.02412	0.4
115.00372	1.4
119.08655	2.9
120.99657	7.0
123.04493	0.3
135.08200	0.5
145.06485	0.4
163.00700	7.5
171.08133	0.5
175.07599	0.6
181.04179	0.3
187.11317	1.2
199.11311	0.6
200.29477	0.3
205.12302	2.5
217.12375	1.1
218.02284	0.3
231.10262	0.5
243.10252	0.8
249.11287	3.4
261.11163	1.6
269.90860	0.3
295.10043	0.7
327.37552	0.3
378.46344	0.3
425.12717	0.4
483.16882	1.1
525.18048	6.8
525.25146	0.5
526.18463	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
58.99604	15.2
59.01375	3.9
61.98812	0.3
64.19781	0.2
69.19334	1.5
69.19761	0.8
71.01394	0.4
74.99093	2.0
77.08855	0.2
79.05527	0.4
83.05010	0.3
87.00855	0.2
95.05017	0.3
99.04519	31.5
100.04870	0.5
100.60696	0.2
102.98597	100.0
103.98965	1.1
105.07090	0.3
109.06599	0.6
113.02449	0.4
120.99655	6.8
125.09852	0.2
145.10239	0.4
153.05569	0.5
157.10287	0.3
163.00703	6.5
169.10223	0.3
178.85728	0.2
187.11308	1.6
191.05620	0.3
199.11179	1.1
217.12338	0.3
231.10258	0.7
243.10304	0.5
249.11313	4.8
250.11824	0.3
261.11377	2.0
295.10150	0.3
298.12256	0.3
303.19699	0.6
321.20682	0.6
425.12729	0.3
483.17175	0.5
525.18115	1.5
525.26740	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	525.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16431	0.4
54.37445	0.4
54.53487	0.4
57.03449	0.7
58.99606	15.1
59.01377	3.0
59.79193	0.4
61.65895	0.4
62.76220	0.4
69.43066	2.9
69.43416	0.5
71.01402	0.6
74.99107	2.0
85.02914	0.6
98.20686	0.7
98.22911	0.4
99.04522	35.7
100.04870	0.6
102.98600	100.0
103.98940	1.1
113.02451	0.5
117.07101	0.4
120.52705	0.4
120.99656	8.8
145.10217	0.6
147.08186	0.5
163.00722	5.8
164.36415	0.5
169.10266	1.0
187.11269	0.8
217.12434	0.6
231.10228	0.4
242.53456	0.5
249.11409	0.8
261.11276	2.1
295.10117	1.1
479.82489	0.5
525.18817	0.7
525.26563	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.9
58.99607	2.9
59.01377	35.5
61.98825	1.6
69.03451	1.9
71.01363	4.1
71.05014	1.1
71.52300	0.9
71.52665	1.4
72.99308	100.0
73.02925	2.9
81.03476	2.3
81.47298	1.0
85.02927	1.6
89.02433	2.5
93.03448	1.2
95.05045	1.3
96.96004	1.0
97.02973	1.3
97.06614	1.0
99.04516	76.3
101.02457	1.5
102.98600	14.8
107.04997	1.6
107.08614	1.0
108.02155	1.0
113.02386	1.6
121.06586	1.4
123.04526	8.6
133.06502	1.4
135.04495	1.7
137.06084	1.7
147.08078	1.2
149.06064	1.8
159.08177	1.2
161.09740	1.6
163.00755	1.5
163.07666	1.4
165.05525	2.5
170.68279	1.1
173.09863	1.5
185.09669	3.3
187.07605	1.4
189.09158	1.5
193.08603	1.8
195.11893	1.3
199.07504	1.2
201.12881	3.4
203.10887	1.8
205.08740	5.2
213.12856	3.4
215.10698	3.4
227.10762	3.4
229.12169	1.2
231.10184	1.3
239.10693	3.5
245.11673	2.0
257.11850	7.2
259.13251	1.3
259.16757	1.1
269.11798	1.9
275.12949	2.0
281.12170	19.6
283.09714	1.6
289.10919	8.6
289.14203	1.8
301.10760	12.6
301.13956	1.7
313.10654	2.1
319.11819	5.6
319.19022	3.2
320.19492	1.6
321.13489	2.9
321.19733	3.1
331.11780	7.0
333.13464	8.5
345.13348	1.9
345.20663	2.5
349.12802	3.6
351.14447	2.8
355.69241	1.2
363.14597	3.4
377.12128	2.4
389.12335	1.9
407.13324	2.2
420.40689	1.1
421.33331	1.1
425.14474	3.3
469.30545	1.0
485.05807	1.5
507.18204	1.5
525.19519	7.0
525.26654	21.2
526.26807	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	525.307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59248	0.3
57.03436	0.6
58.99597	0.8
59.01379	100.0
60.01709	0.7
61.98827	3.1
68.99572	1.8
69.55051	0.4
70.89513	0.3
71.01381	9.5
71.52402	0.5
72.99313	0.3
73.02943	1.6
73.77807	0.3
83.01394	0.9
83.05092	0.4
85.02946	3.9
87.00889	0.7
89.02440	3.2
93.03471	0.4
95.01408	0.8
96.96017	0.8
99.00884	0.9
99.04529	1.5
101.02451	4.6
102.98589	5.0
106.21906	0.3
112.98578	2.0
113.02455	5.2
115.84223	0.3
116.92868	0.5
119.03539	1.2
120.99640	0.7
123.04605	0.4
125.02496	0.4
131.03506	0.4
135.04547	0.6
143.03601	0.4
143.99162	0.5
146.08246	0.4
147.04643	0.4
149.06108	0.5
161.04559	3.1
161.05827	0.4
167.84087	0.3
179.05725	0.5
181.12427	0.5
182.04137	0.6
191.05701	0.9
193.90569	0.4
215.10292	0.3
281.12143	3.2
289.18195	1.5
325.16620	0.6
343.17661	0.7
392.54587	0.4
465.28729	1.0
483.29822	2.7
484.29977	0.4
525.25470	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	526.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68510	0.3
59.01379	1.9
61.98829	100.0
69.37167	2.1
71.01395	0.9
75.17034	0.4
78.95964	0.3
79.95755	0.7
80.96519	2.8
85.02937	0.4
87.00875	0.4
93.03482	0.5
94.98101	0.9
96.96007	3.0
99.48064	0.3
101.02450	0.3
102.98595	0.9
115.00346	0.7
146.04596	0.4
152.01123	0.4
165.05537	0.4
167.03484	0.6
169.86964	0.3
191.05656	1.3
195.06631	0.7
197.04610	0.4
225.00929	0.7
301.19910	0.3
394.10907	0.5
408.39160	0.3
449.19495	0.4
526.08978	0.4
526.16638	5.5
526.23450	0.6
527.17578	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54580	0.4
61.98829	100.0
69.33270	0.7
69.33680	2.8
96.96047	0.7
98.90711	0.4
167.03485	1.1
187.93781	0.4
197.90306	0.5
203.36607	0.4
222.47247	0.4
235.43680	0.4
339.39337	0.4
351.57608	0.4
461.13055	0.8
479.68555	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83631	0.3
77.00105	0.3
81.21627	0.3
84.04539	0.6
85.02903	0.3
96.95983	0.4
102.05605	39.8
103.05962	0.4
107.08662	0.4
107.17169	0.3
128.03537	32.8
129.03896	0.3
146.04587	100.0
147.04930	1.6
192.71753	0.3
203.06703	0.3
287.58591	0.4
407.89737	0.3
524.21613	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14644	0.2
57.03446	0.6
58.31057	0.2
59.01359	0.6
59.76563	0.2
62.84480	0.2
69.38232	0.8
69.38647	1.1
69.54079	0.2
71.01398	0.3
78.29456	0.3
82.02992	0.3
85.02943	0.3
96.96016	0.6
99.04517	1.3
100.04042	0.4
101.02447	0.3
102.05610	37.9
103.05938	0.9
109.59409	0.2
123.04491	0.3
127.05068	0.3
128.03545	31.3
129.03879	0.9
145.06219	1.2
146.04593	100.0
147.04988	2.4
148.05061	0.3
156.06685	0.5
221.33557	0.2
310.02020	0.3
358.83258	0.2
390.13446	0.3
394.15103	0.3
406.15146	0.6
424.16168	5.0
425.16483	0.5
468.14224	0.2
485.74728	0.3
506.20386	0.5
524.21350	3.9
525.15668	0.5
525.22485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
61.98828	12.0
71.01381	2.0
71.70160	0.6
78.95899	17.4
79.95742	3.5
87.48225	0.7
96.96011	100.0
96.96938	28.1
98.19846	1.1
101.02438	0.9
132.03064	0.7
171.25208	0.8
176.08372	1.0
177.05621	0.9
191.05569	1.0
229.40346	0.7
265.14313	0.9
302.80673	0.6
320.09341	0.8
327.81030	0.7
525.16681	1.5
525.29248	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24770	0.2
56.28307	0.2
59.01377	4.7
61.98830	0.5
62.07647	0.2
62.27133	0.1
69.85326	0.4
69.85740	0.5
71.01373	1.0
73.02939	0.6
73.13694	0.2
85.02938	0.5
89.02435	0.4
93.02883	0.2
96.95966	0.2
101.02438	0.8
113.02419	0.5
142.38681	0.2
147.36258	0.2
154.18008	0.2
181.03304	0.3
191.05551	0.4
239.02586	0.2
263.12915	0.3
271.02246	0.2
296.10715	0.3
300.02606	0.4
301.21701	0.6
314.04205	0.4
317.21243	0.4
318.21408	0.4
319.22726	4.4
320.23044	0.3
377.23602	0.2
389.23160	0.2
403.24814	0.7
433.25769	0.2
463.26996	16.4
464.27283	1.9
481.28040	21.8
482.28265	2.1
523.29089	100.0
524.29437	11.8
524.37537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12873	0.5
55.01875	2.7
55.16090	0.6
57.03439	3.9
58.00592	1.2
59.01379	27.5
69.50262	1.8
69.50694	1.6
71.01380	34.3
72.99306	1.7
73.02940	7.8
75.00876	0.8
83.01394	3.8
84.02142	0.5
85.02947	14.1
86.00081	0.5
87.00867	1.7
89.02441	13.2
90.02726	0.4
90.06650	0.5
95.01394	3.1
99.00877	3.3
101.02443	20.6
102.02776	0.5
111.00873	1.8
113.02448	13.0
119.03497	4.3
125.02448	1.1
129.01923	0.5
131.03497	0.5
143.03430	0.6
149.06091	0.5
153.09251	0.6
159.02982	1.8
161.04538	5.6
171.13908	1.8
179.05562	0.9
187.13385	0.9
198.19109	0.6
201.14977	1.6
323.58194	0.5
333.91083	0.5
359.27921	1.3
361.29568	22.4
362.29974	1.6
388.23679	0.6
481.39166	0.5
523.34851	100.0
524.35187	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2912
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
58.99613	0.4
59.01377	8.7
61.98833	1.9
68.99560	1.2
69.03488	0.3
69.50175	2.1
71.01374	1.6
72.50700	0.3
73.02948	1.1
73.42239	0.3
85.02931	1.2
89.02444	0.5
93.03457	0.8
96.95980	0.4
99.04520	1.4
101.02431	1.7
102.98598	4.1
112.98556	1.5
113.02427	0.8
120.99675	0.4
135.04500	2.6
136.07587	0.4
137.02489	0.3
141.01671	0.4
152.99583	0.8
161.04721	0.5
179.03436	1.9
187.07503	0.4
191.05681	0.8
193.44115	0.4
202.06180	0.3
263.13052	0.4
286.17108	0.3
295.10043	0.5
296.10931	0.4
319.19122	3.0
319.22781	4.1
361.20261	0.9
393.17444	0.5
403.25134	0.6
463.27008	22.2
464.27097	2.3
481.28036	22.4
482.28348	1.8
507.82056	0.5
523.29114	100.0
524.22046	0.8
524.29523	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	523.2909
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
50.06147	0.3
51.36405	0.3
53.77902	0.2
58.52236	0.2
59.01378	4.6
59.32380	0.3
61.12070	0.2
61.56132	0.3
61.93520	0.3
61.98816	0.8
69.37010	0.6
69.37409	2.1
71.01363	1.1
73.02972	0.4
74.80089	0.3
85.02955	0.5
93.04020	0.3
94.16096	0.2
94.76479	0.3
101.02455	0.8
113.02407	0.5
182.85475	0.3
197.03722	0.3
247.74327	0.3
263.12823	0.4
295.09897	0.4
296.37628	0.3
298.12329	0.3
301.21698	0.4
319.22766	3.8
322.12204	0.3
403.24957	0.6
463.27026	15.8
464.27271	1.6
481.28040	20.3
482.28561	2.2
523.29095	100.0
524.29492	11.3
524.37463	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2182
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01381	2.7
60.37990	0.4
61.98818	0.8
70.94775	0.5
71.01385	1.7
71.53030	0.4
73.02940	0.5
85.02943	0.9
87.84911	0.4
93.03452	2.0
96.96026	0.6
98.78344	0.4
101.02438	1.5
109.02954	4.7
113.02418	0.8
121.02959	13.0
122.03756	11.0
123.04506	1.8
124.01680	1.5
129.03471	1.0
134.03783	0.5
135.04486	1.3
136.05302	1.7
137.02457	1.9
146.03665	0.8
146.04704	0.6
147.04523	6.9
148.05278	0.5
149.06044	1.3
149.74289	0.4
154.02724	1.3
159.04434	0.6
160.05302	1.2
161.04723	0.5
161.06070	2.0
163.03989	0.8
164.04701	1.0
165.05560	23.6
166.05896	0.5
168.04295	0.5
168.77061	0.4
173.06047	0.5
175.07695	0.8
178.06425	0.6
179.07132	7.9
180.07414	0.5
191.05623	1.6
191.07152	0.7
209.08160	0.7
223.09666	1.0
313.14444	0.7
315.12354	2.6
329.13995	0.5
330.14056	0.8
331.14758	1.1
346.14166	9.6
347.14752	0.6
361.16556	100.0
362.16916	9.0
391.19626	0.8
523.15222	0.9
523.27655	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	523.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.1
57.19448	0.5
59.01369	3.8
61.98821	3.2
65.05716	0.6
69.56458	0.5
70.27951	2.3
70.64073	0.6
71.01404	0.5
78.95902	31.5
83.65568	0.7
90.12770	0.6
96.96961	2.1
97.06609	1.0
109.87251	0.6
113.09726	3.2
117.03403	0.6
141.77063	0.6
150.97978	0.6
152.99580	45.0
157.08727	1.0
171.00624	2.7
171.10258	1.2
177.12827	0.7
179.14400	1.5
181.12306	0.8
187.03975	0.6
195.13896	24.2
196.14293	1.1
227.01385	0.7
227.03238	3.7
242.12178	0.6
245.04308	2.1
277.21707	18.1
278.22177	1.0
293.21262	0.6
295.22769	87.2
296.23157	5.9
431.21902	2.1
488.08188	0.6
506.30078	0.7
523.26776	100.0
524.27209	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	523.1764
Annotation	Xanthorrone
Peak:m/z	Relative Intensity
53.31869	1.6
53.35610	2.0
71.53300	2.1
76.91650	1.8
78.95904	85.4
93.02419	1.7
95.05000	3.0
99.92570	17.3
110.98515	15.6
113.45208	2.0
115.92070	31.8
116.92866	16.0
147.50926	1.8
154.86853	1.7
164.99579	3.9
178.88396	16.2
179.89218	33.4
180.90062	9.3
190.51971	1.8
193.90747	42.1
194.91580	25.2
196.89481	43.2
236.92458	2.8
242.43507	2.0
248.92618	3.8
249.93416	4.4
255.23256	4.7
266.93585	4.0
280.04514	1.8
355.15707	3.1
371.15378	2.3
411.18396	6.6
523.17657	100.0
523.35834	3.9
524.18164	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	521.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12768	0.7
55.01875	1.1
57.03445	1.3
59.01376	20.3
61.98840	1.0
68.14125	0.6
71.01379	13.5
71.01971	1.4
73.02946	3.9
78.95905	0.8
83.01386	2.0
85.02944	7.6
89.02456	4.8
93.49213	0.7
95.01392	2.4
99.00887	1.3
101.02435	6.3
109.02544	0.7
113.02448	10.5
119.03467	1.7
142.18459	0.7
146.62445	0.7
161.04613	0.9
191.05672	0.6
242.37119	0.8
280.03146	0.7
284.79535	0.7
299.20148	86.7
300.20447	7.7
307.90314	0.7
317.21210	12.3
461.25418	81.1
462.25870	8.1
467.63348	0.8
479.26419	16.8
480.26755	1.5
521.27527	100.0
522.27997	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	521.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44699	0.6
51.05835	0.5
59.01371	1.4
61.98817	0.7
69.86703	1.1
69.87106	2.1
71.01388	0.9
93.30974	0.6
98.19967	0.8
103.47962	0.6
105.12149	0.7
183.59933	0.6
207.89874	0.6
208.65149	0.6
280.91458	0.6
288.86176	0.6
299.20148	1.7
317.21204	100.0
318.21561	8.2
461.25339	1.3
479.26712	0.7
521.27533	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	521.275
Annotation	Ivain Ii
Peak:m/z	Relative Intensity
55.01865	1.2
57.03437	0.8
59.01378	22.2
61.01344	0.6
62.98434	0.7
69.92859	2.9
71.01379	14.3
73.02940	5.2
78.95890	1.6
83.01369	2.3
85.02937	5.6
89.02440	3.9
95.01379	2.3
99.00878	1.0
101.02438	8.1
113.02440	11.1
119.03474	1.6
128.92339	0.7
142.19095	0.7
152.99548	2.9
201.73749	0.7
213.85147	0.7
293.21231	3.4
299.20139	99.2
300.20505	6.7
309.55328	0.9
317.21222	6.1
461.25449	82.1
462.25861	9.5
479.26474	15.9
480.26971	2.3
521.27515	100.0
522.27850	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	521.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
55.99404	0.3
57.03431	0.3
58.00596	0.6
59.01379	25.1
63.01024	0.3
67.39504	0.3
69.03452	0.5
69.59666	1.7
71.01382	14.9
71.94918	0.3
72.99287	0.7
73.02943	25.8
81.03413	0.4
83.01379	5.8
85.02944	2.0
87.00845	0.6
89.02445	3.7
91.39790	0.3
97.02946	0.5
98.19890	0.5
99.00880	0.6
101.02438	15.6
113.02438	3.4
119.03474	0.9
125.02409	0.6
131.03471	1.0
143.03473	0.8
155.03445	0.4
161.04568	1.5
299.20135	86.7
300.20502	6.7
317.21252	1.8
338.96927	0.3
401.23163	0.3
461.25458	2.1
479.26486	6.7
480.26721	0.8
521.27521	100.0
522.27832	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	521.2753
Annotation	Ivain Ii
Peak:m/z	Relative Intensity
55.01864	0.5
58.00588	0.6
59.01379	19.9
61.27600	0.4
64.88195	0.4
65.25906	0.5
66.41716	0.4
71.00419	1.0
71.01383	11.0
72.90084	0.4
72.99302	0.8
73.02946	14.7
83.01390	2.8
85.02940	1.7
87.00902	0.6
89.02447	3.6
90.20712	0.4
95.01421	0.5
99.00886	0.6
101.02442	11.4
111.38201	0.4
113.02463	2.5
119.03472	1.1
127.22318	0.5
131.03528	0.5
139.01006	0.4
143.03479	0.5
179.32962	0.5
194.72449	0.5
218.35245	0.4
299.20154	76.4
300.20490	7.0
317.21072	2.8
340.04074	0.5
461.25537	3.8
462.26154	0.4
479.26505	9.9
480.26764	1.3
521.27533	100.0
522.27814	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	521.2522
Annotation	Cognatine
Peak:m/z	Relative Intensity
57.03443	3.1
59.01359	4.0
61.98826	10.3
62.70555	1.1
78.95902	28.5
79.80373	1.1
81.40270	1.2
84.77517	1.1
96.96958	2.3
97.06598	1.2
113.09013	2.0
113.09727	20.1
135.04492	1.9
139.11304	2.6
152.99579	47.2
155.58241	1.2
161.02396	2.6
163.03976	1.4
167.10725	3.4
171.00618	2.7
171.10210	4.8
177.12819	1.7
179.10764	2.3
195.13750	2.7
201.93938	1.3
219.07047	1.3
227.03252	6.1
229.46469	1.4
232.66544	1.2
243.17061	1.9
245.04395	1.5
249.22173	3.4
250.07109	1.7
275.20181	6.1
293.21216	100.0
294.21490	9.4
317.21173	14.6
318.21640	1.4
521.25177	83.2
522.25116	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	521.2519
Annotation	Okaramine N
Peak:m/z	Relative Intensity
59.01385	11.7
59.11257	0.8
61.98842	7.2
70.38099	3.2
71.01380	6.8
72.55570	1.0
73.02944	1.8
77.35201	1.1
78.95901	25.9
79.19953	0.8
83.88152	0.8
84.95601	0.7
85.02959	2.2
86.55935	0.7
88.07793	0.7
89.02434	1.2
90.80910	0.7
95.01402	0.8
96.96972	1.8
98.20537	0.9
99.05579	0.8
101.02414	3.5
113.02397	4.0
121.10184	1.1
152.99586	37.2
155.10695	0.9
163.52248	0.9
167.10785	1.1
171.00552	3.5
171.10271	2.1
179.14328	1.0
183.13847	4.0
195.13899	9.1
211.13304	1.2
223.13332	4.3
227.03281	4.5
245.04198	2.3
275.17661	1.1
275.20126	9.1
293.21222	55.3
294.21463	3.5
299.20160	33.1
300.20358	3.3
317.20953	2.0
429.20258	1.3
461.19073	1.5
461.25403	25.8
462.25500	3.4
479.26550	7.0
521.25604	100.0
522.25922	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	521.252
Annotation	Okaramine N
Peak:m/z	Relative Intensity
59.01122	1.0
59.01381	13.5
61.98816	1.8
69.36909	6.6
71.01074	0.8
71.01382	8.8
73.02923	3.5
78.95904	29.4
83.01373	1.2
85.02956	3.9
89.02422	2.7
95.01367	1.8
96.96937	3.2
98.19844	1.3
99.04535	0.8
101.02428	4.2
113.02463	5.4
113.09716	0.9
121.10195	1.0
122.94953	0.7
122.97245	0.8
143.03526	0.9
150.98022	1.0
152.99583	43.2
171.00543	2.5
171.10187	2.5
179.14348	1.1
183.10197	3.0
195.13890	12.4
196.14442	0.8
202.50577	0.7
205.12196	0.8
211.13214	1.1
223.13403	6.7
227.03255	3.7
237.19653	0.8
245.04283	0.8
256.13058	1.0
258.07581	0.8
275.20218	6.8
293.21222	59.6
294.21652	4.0
295.22476	1.1
296.22928	2.7
299.20148	47.8
300.20529	4.1
300.23349	0.8
317.21185	28.1
318.21490	1.7
344.69525	0.9
429.20108	2.0
452.18240	1.4
461.25458	32.4
462.25488	3.1
479.26587	6.6
480.26349	1.1
521.25708	100.0
522.26208	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	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.8
69.40479	2.2
69.40897	0.9
70.14706	0.4
71.01377	3.4
73.02926	0.7
74.43157	0.4
80.12882	0.4
83.01363	0.4
85.02940	1.6
89.02439	0.5
99.60453	0.5
101.02451	1.7
104.45766	0.4
108.02225	0.5
113.02453	1.1
121.02947	3.6
122.03726	1.3
123.00879	1.4
124.01680	0.6
135.04555	0.5
136.05319	1.2
137.02516	0.4
137.06125	0.4
143.04991	0.4
145.03008	0.5
146.03775	0.7
147.04562	2.6
149.02455	1.9
149.06125	0.5
150.03221	5.7
158.03712	2.7
159.03171	0.8
159.04498	8.4
160.05289	29.8
161.04585	1.0
161.06055	7.9
163.03972	4.9
164.04803	5.5
173.06056	3.4
174.06699	0.7
175.07634	25.7
176.04738	0.5
176.08014	1.3
177.05573	5.8
178.06348	9.5
179.06725	0.7
191.05609	0.7
192.06216	0.4
192.07822	2.4
193.08720	3.2
329.13922	100.0
330.14276	8.5
359.15088	2.8
389.18164	1.8
455.51938	0.4
521.22137	0.8
531.53595	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
57.03429	2.0
58.00595	3.0
59.01379	100.0
61.98832	2.3
64.86212	1.2
69.47059	9.0
71.01381	63.5
72.62191	1.2
72.99301	4.2
73.02951	2.8
77.07694	1.1
83.01404	2.6
85.02955	9.6
87.00874	3.7
89.02445	87.4
95.01390	3.9
97.02923	1.3
101.02435	38.3
102.02774	1.2
102.98610	2.5
108.02148	2.4
109.02959	3.1
113.02454	26.7
119.03500	41.5
121.02966	2.4
122.03714	1.7
123.04530	3.7
131.03484	4.0
134.03722	3.7
143.03496	7.2
143.05013	1.3
149.04518	4.4
151.03857	1.3
159.04529	3.9
160.05354	7.0
161.04543	6.7
161.05943	1.8
165.05574	1.8
172.05290	3.8
173.06102	2.9
175.07658	3.2
179.05594	17.8
187.07726	1.6
189.05487	6.0
190.06378	8.8
190.22829	1.1
191.05540	1.9
193.05080	2.4
195.06595	1.1
205.08635	7.8
232.61462	1.2
276.55057	1.0
281.08228	1.9
296.10522	4.1
311.12708	5.8
329.13968	5.2
341.09796	1.8
341.13913	29.2
342.14285	1.6
366.04907	1.1
389.12454	2.1
475.18106	1.2
494.49567	1.2
510.96780	1.3
521.20496	5.4
521.33411	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.2
69.77402	1.3
69.77811	2.0
71.01383	2.6
73.02924	1.1
85.02951	1.1
94.01128	0.7
98.19962	0.8
101.02427	1.5
113.02428	1.1
121.02940	4.8
122.03757	1.5
136.05341	1.0
147.04530	1.9
149.02452	1.9
150.03249	3.3
158.03714	2.5
159.04501	7.5
160.05292	25.4
161.04715	1.3
161.06046	6.6
163.03999	3.3
164.04764	5.9
168.04155	0.7
173.06070	2.8
175.07632	23.3
176.04828	0.9
176.07880	1.1
177.05533	5.8
178.06343	7.6
187.35765	0.7
192.07858	2.2
193.08664	2.8
278.68250	0.7
314.11456	1.5
321.50949	0.7
329.13925	100.0
330.14297	8.0
359.14966	1.9
446.04849	0.7
465.87305	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96401	0.3
69.90338	1.3
69.90745	0.4
75.56094	0.3
78.69270	0.3
78.95901	64.6
88.93890	0.3
96.96962	5.2
98.19947	0.4
115.87527	0.3
124.10281	0.3
141.37590	0.3
148.84026	0.3
150.14738	0.3
150.98044	1.5
152.99576	100.0
153.99908	0.9
154.76524	0.3
168.44408	0.3
171.00636	2.2
279.23251	1.6
321.44281	0.3
421.22510	0.4
433.23563	42.6
434.23856	3.7
520.26660	4.3
521.26538	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	5.9
59.01376	100.0
68.22128	3.0
69.53907	17.5
71.01380	60.4
83.01368	3.9
85.02950	10.7
87.00861	3.0
89.02438	66.1
98.20596	6.5
101.02432	29.6
113.02454	26.7
119.03494	26.7
128.03520	3.0
131.03442	3.1
133.02960	11.7
135.04512	2.8
137.25040	3.4
143.03467	4.4
145.06192	13.1
161.04544	5.6
164.98322	2.9
179.05589	11.6
179.67885	2.6
191.05528	5.4
199.03989	4.8
200.04419	3.0
216.91743	2.8
255.10205	5.0
267.26700	3.7
283.09686	31.4
295.09796	4.1
296.10544	4.0
299.01883	12.8
300.02625	14.8
301.02649	22.0
302.03394	13.6
303.04068	7.0
311.09238	62.1
312.09366	4.4
312.70175	2.9
314.04028	5.5
315.04645	10.2
316.05301	6.1
317.05701	9.5
325.10797	6.2
326.11545	40.2
327.11887	5.6
329.13736	4.7
341.13889	67.5
342.14178	4.9
382.99567	3.0
486.22656	3.0
500.16260	3.2
521.12036	74.2
521.20251	7.5
522.12378	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	519.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64456	0.4
54.85793	0.5
55.01856	0.5
59.01377	100.0
60.01696	0.4
60.03976	0.4
62.68200	0.4
65.55420	0.4
69.28444	3.7
71.01382	6.0
73.02949	1.8
82.24194	0.4
83.01383	0.9
85.02945	2.0
87.00916	0.5
87.04531	0.8
89.02447	3.0
99.00870	0.8
101.02430	4.7
101.06085	0.8
111.49133	0.4
113.02433	3.0
119.03508	0.7
120.59354	0.4
142.99913	0.6
143.03526	0.5
154.99867	0.5
161.04535	2.1
179.05542	0.5
212.83688	0.5
255.19594	0.5
297.20807	0.7
399.23825	9.7
399.28680	0.6
400.24313	0.7
403.63556	0.4
405.57446	0.5
417.24890	10.7
418.25299	0.8
439.50754	0.5
447.66553	0.5
459.25885	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	519.296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08786	2.3
54.77362	2.0
55.40176	2.1
61.98813	3.3
62.05098	2.4
68.20007	2.2
71.51728	2.2
71.52098	2.7
76.36554	2.7
148.00323	2.3
152.99519	3.1
263.05292	2.6
387.25357	100.0
388.25632	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	519.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98820	3.5
71.01383	31.3
71.15095	2.1
71.85664	2.3
72.99283	3.3
73.02949	35.6
74.99082	8.2
75.58707	2.1
75.59131	2.3
77.71934	2.2
83.01377	8.0
85.02957	11.0
88.98794	8.2
89.02451	12.8
93.03380	2.1
96.95998	2.4
101.02439	22.8
105.52286	2.4
113.02455	21.3
115.00372	2.4
116.92883	3.8
125.02433	9.9
128.44836	2.1
136.99123	9.8
137.79361	2.4
141.68736	2.2
143.03430	3.0
149.04576	6.5
161.04533	9.9
163.11238	3.3
166.17061	2.1
173.04543	5.0
179.05556	3.5
181.12309	10.1
187.02466	2.5
191.05559	7.5
225.11279	18.7
228.69609	2.4
267.07236	8.3
305.67673	3.4
341.56915	2.4
387.16605	14.9
415.23242	3.1
505.44522	2.5
517.22302	2.9
519.20563	27.6
539.74866	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52866	0.5
52.74828	0.5
55.35571	0.5
59.01379	100.0
70.83430	1.4
71.01385	4.4
73.02950	1.0
74.63388	0.5
82.19174	0.5
82.92355	0.6
84.93517	0.5
85.02960	1.7
87.04555	0.7
89.02455	1.0
95.01427	0.5
99.00887	0.7
101.02457	1.5
113.02455	4.2
141.02275	0.5
141.61986	0.5
145.78352	0.5
149.70712	0.5
161.04562	1.7
163.48354	0.7
260.56180	0.6
335.39114	0.5
383.99216	0.6
399.23837	14.0
399.28766	0.9
400.24271	1.5
417.25018	3.4
459.25937	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	519.2081
Annotation	Suspensolide E
Peak:m/z	Relative Intensity
55.99612	0.7
57.03436	2.9
59.01378	26.2
67.01895	1.2
69.03459	1.1
69.16116	1.5
69.16521	6.5
71.01382	20.9
72.99324	3.6
73.02947	1.1
75.00870	11.5
82.60106	0.6
83.01397	0.8
85.02949	20.4
87.00879	9.1
89.02447	5.6
93.10538	0.8
95.01391	3.5
99.00887	7.3
99.04493	1.5
103.00363	2.2
103.84521	0.8
109.06536	0.7
113.02451	29.3
115.00360	1.6
117.01948	2.4
121.06618	0.9
129.01944	1.6
131.03525	0.7
139.00346	0.9
157.01462	1.1
165.12825	1.0
175.02461	2.0
189.12833	1.7
199.04091	0.9
199.17336	0.8
199.42308	0.8
202.43199	0.8
205.07289	0.9
207.05099	1.5
207.13911	3.0
209.11777	2.8
217.45511	0.8
249.06140	6.1
251.12738	1.1
267.07214	40.7
268.07596	1.7
269.13968	1.1
299.01941	2.4
300.02658	1.3
315.05267	1.2
325.75641	0.7
343.17590	3.6
349.32986	0.8
394.31293	0.7
457.20728	1.1
459.18268	1.8
501.19879	4.7
519.20782	100.0
520.21118	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	519.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	40.9
61.98822	3.2
66.81364	1.2
67.01888	1.5
69.03461	2.3
71.01385	13.0
71.52522	2.1
73.02947	7.0
74.02497	3.0
75.00851	1.7
80.02662	1.2
81.03473	1.9
83.01384	2.1
83.05042	1.3
85.02948	8.8
87.00883	6.9
89.02440	9.7
93.03443	7.4
95.01393	1.7
95.05006	7.4
96.95985	2.3
97.02940	1.6
99.00861	3.0
99.92580	2.4
101.02432	5.0
104.24448	1.4
107.05044	1.8
109.06546	1.3
113.02466	8.2
114.02778	1.4
115.92043	4.8
116.92874	1.5
119.03498	3.7
120.99669	2.2
125.02414	3.8
128.03561	1.5
131.03549	1.3
133.02980	6.4
134.03697	1.7
135.04514	6.2
136.98836	1.4
151.04050	1.8
161.04579	3.9
161.09715	2.0
163.11310	15.3
164.98236	1.7
173.04541	4.3
175.58456	1.2
177.01913	3.0
178.02628	2.3
179.03442	2.1
179.05612	8.7
179.06976	1.9
181.10832	2.0
181.12350	20.2
191.05614	18.1
199.03961	4.5
207.10236	2.6
225.11311	100.0
226.11655	3.7
227.03380	1.7
255.03174	2.4
255.10370	2.1
267.07187	3.5
271.02597	6.5
281.08353	2.5
282.08707	2.0
285.04007	1.9
299.01932	15.3
300.02798	13.1
301.03415	5.8
309.07684	8.4
313.03461	4.7
314.04251	1.9
315.05096	9.6
324.09967	2.6
327.08463	1.6
339.11871	6.0
351.06998	1.6
352.06189	2.2
357.13675	1.5
371.02048	1.2
387.16586	64.5
388.16876	5.8
459.09103	2.8
473.72171	1.4
475.08749	2.3
500.45493	1.6
519.11487	20.9
519.20685	59.7
519.31604	4.3
520.12329	1.5
520.20972	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	519.1869
Annotation	Pinoresinol O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01379	4.8
61.98813	0.8
69.63403	4.8
71.01378	5.0
73.02935	1.1
82.42188	0.8
85.02954	2.4
87.00887	0.9
93.03452	1.1
99.00887	1.0
101.02428	1.9
108.02160	1.3
113.02427	3.0
115.23127	0.8
121.02962	5.0
121.53741	0.9
122.03740	2.6
136.01659	76.4
137.02290	1.7
149.06088	0.7
151.04001	100.0
152.04312	4.2
159.04434	0.9
160.05257	1.9
161.04549	1.2
162.03223	1.3
163.04002	1.4
167.81535	0.9
169.30641	0.8
175.07628	1.7
189.05496	0.9
225.11435	1.1
232.03841	0.8
267.07187	2.8
342.11008	4.3
357.13406	90.9
358.13730	8.1
387.16660	1.8
447.03983	0.8
519.20880	7.6
520.21027	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1144
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
52.22858	0.4
57.03452	1.8
59.01380	15.6
65.00314	1.3
67.79255	0.4
69.23373	0.7
69.23782	2.8
71.01380	11.2
72.99298	1.4
73.02944	0.7
75.00870	5.7
85.02950	10.7
87.00869	4.2
89.02447	4.3
95.01388	2.0
97.18954	0.4
99.00887	3.7
99.04555	0.8
99.92598	0.8
101.02424	1.0
103.00343	1.0
110.00109	0.7
111.00887	0.8
113.02451	15.7
114.02742	0.6
115.00344	0.7
115.92059	1.6
116.92834	0.6
117.01929	1.1
129.01942	0.8
132.02153	0.5
133.02953	14.8
134.03258	0.4
135.00874	1.5
136.98795	2.3
139.00368	0.5
151.00354	0.5
157.01437	0.7
160.15805	0.4
163.00327	3.7
164.98256	3.3
165.12834	0.9
165.99071	1.0
171.04533	0.5
173.02391	0.4
174.03091	0.4
175.02451	1.3
175.03952	1.0
178.99826	1.2
185.02362	0.6
189.12863	1.1
191.05681	0.4
198.03059	0.5
199.04012	16.4
200.04462	1.0
201.01942	4.0
203.03409	0.6
207.13933	1.3
209.11803	1.2
215.03511	0.7
216.04178	0.5
227.03484	5.0
228.04129	0.7
243.02937	5.3
244.03374	0.6
249.06136	3.3
251.12865	0.5
255.02950	3.9
267.07187	20.8
268.07678	0.6
269.13904	0.5
271.02463	7.3
272.02878	0.5
282.01584	0.5
285.04062	6.2
286.04291	0.7
296.03162	0.6
299.01959	64.3
300.02701	34.4
301.03500	16.3
301.06421	0.3
302.03885	1.1
309.07635	2.1
311.02014	1.1
313.03525	19.8
314.04153	5.0
315.05093	30.4
316.05313	2.2
324.09891	0.6
327.05237	0.5
329.02972	0.6
339.12344	1.3
343.17487	1.3
352.06223	1.2
357.06119	0.7
399.23657	0.4
413.96558	0.4
433.21048	0.5
457.20773	0.7
459.18680	1.0
501.19766	1.9
504.09229	2.8
519.11432	100.0
519.20746	52.3
520.11816	10.7
520.21118	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	518.252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45716	0.3
51.21304	0.3
62.96407	0.4
63.31771	0.3
68.06551	0.3
71.12538	0.6
78.95903	67.8
84.61994	0.3
96.96957	5.4
97.24207	0.3
150.98006	1.9
152.99580	100.0
153.99913	1.4
158.79279	0.4
171.00630	2.9
277.21695	2.1
340.42728	0.3
431.21985	36.1
432.22318	2.9
432.35538	0.4
442.48538	0.3
458.26563	0.3
518.25061	3.6
519.25781	0.5
540.21161	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09266	0.3
61.13712	0.3
62.96394	0.6
70.95300	0.5
70.95647	0.4
72.29240	0.3
78.95901	72.0
93.47113	0.3
96.96960	5.7
109.88039	0.3
143.60928	0.3
150.98042	1.7
152.99580	100.0
153.99860	1.3
171.00639	2.9
202.79092	0.3
211.89232	0.4
248.82133	0.3
260.14807	0.3
277.21805	1.5
345.83319	0.3
431.22009	38.3
432.22281	3.2
518.25250	3.0
524.92743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09471	0.9
51.46164	0.9
52.02644	0.9
57.03429	1.0
59.01379	100.0
61.98813	4.2
69.49763	2.8
69.50195	3.6
71.01387	17.2
72.99277	1.1
73.02950	10.8
83.01389	3.7
85.02937	4.5
87.00877	2.0
87.83326	0.8
89.02444	6.2
93.02480	1.0
93.03458	2.7
99.00883	2.0
101.02437	16.0
101.06071	1.5
108.56274	0.9
113.02454	6.8
119.03475	1.7
120.99644	4.5
121.02939	8.3
122.99242	2.8
125.02442	1.4
131.03543	1.0
143.03494	2.8
149.04546	3.1
161.04568	5.4
173.04546	3.9
179.05621	1.6
189.50905	1.0
191.05602	2.0
203.05531	1.4
207.13890	1.4
225.05624	1.1
235.16951	1.1
243.95769	1.0
251.12801	1.8
252.13110	2.3
253.13596	1.5
253.18083	17.5
264.51990	1.0
295.19354	1.1
306.07385	1.7
313.07211	2.1
371.14441	1.1
385.17514	2.3
385.23276	0.9
397.22177	12.3
401.08752	5.6
415.23431	13.3
416.23737	1.5
457.24323	19.5
458.24799	1.5
517.21289	3.0
517.29132	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	517.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.9
57.03445	8.9
59.01380	85.3
61.98814	2.0
63.27643	2.1
67.01894	4.4
68.99821	3.5
69.03468	3.2
70.92446	4.4
71.01379	43.1
71.05022	16.6
71.31685	1.8
72.99303	5.5
73.02966	5.1
73.36475	2.0
73.71968	1.7
73.75826	1.9
74.99092	16.7
75.00883	8.3
81.93395	1.9
82.52419	1.9
83.01400	2.6
83.05025	6.6
85.02956	45.6
87.00878	15.4
89.02452	12.9
91.04005	2.0
91.80124	2.0
95.01386	12.1
96.96025	12.0
97.02917	2.7
99.00884	5.7
99.04510	6.0
101.02457	5.6
102.98592	4.7
103.00356	3.6
111.00896	5.6
113.02452	69.5
116.92834	4.6
119.03512	2.9
120.99660	5.7
129.01924	3.4
131.03528	2.0
132.88954	2.5
136.99147	15.3
157.01440	2.2
161.04559	2.1
161.09691	2.6
161.13364	44.3
163.11304	7.8
179.10741	5.4
179.14388	5.4
205.07141	10.8
205.12424	2.7
223.09746	2.6
249.06186	14.2
253.14442	21.7
263.07712	15.9
267.07230	22.7
281.08768	42.6
355.13867	3.5
380.95514	1.9
457.17050	8.3
457.23611	2.2
485.20328	3.9
517.22607	100.0
518.24017	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	517.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75011	2.2
59.01381	24.4
60.99308	15.1
67.26486	2.4
71.01392	8.5
72.99345	2.6
73.02944	3.6
75.00890	2.7
77.00069	2.4
77.91008	2.4
80.63907	2.2
82.70021	2.5
85.02950	4.8
87.00871	10.0
87.58298	2.7
88.00398	3.3
88.98807	100.0
89.02446	42.0
96.96015	7.6
101.02465	3.7
113.02423	4.6
120.99658	6.3
127.01762	2.4
158.19470	2.5
176.08434	8.4
191.05577	5.0
191.10904	5.5
222.53111	2.9
225.05905	3.9
248.76517	3.1
265.14459	9.3
267.07245	4.4
290.95856	2.4
363.40576	2.9
517.19366	3.4
540.52148	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	517.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.9
57.03445	8.9
59.01380	85.3
61.98814	2.0
63.27643	2.1
67.01894	4.4
68.99821	3.5
69.03468	3.2
70.92446	4.4
71.01379	43.1
71.05022	16.6
71.31685	1.8
72.99303	5.5
73.02966	5.1
73.36475	2.0
73.71968	1.7
73.75826	1.9
74.99092	16.7
75.00883	8.3
81.93395	1.9
82.52419	1.9
83.01400	2.6
83.05025	6.6
85.02956	45.6
87.00878	15.4
89.02452	12.9
91.04005	2.0
91.80124	2.0
95.01386	12.1
96.96025	12.0
97.02917	2.7
99.00884	5.7
99.04510	6.0
101.02457	5.6
102.98592	4.7
103.00356	3.6
111.00896	5.6
113.02452	69.5
116.92834	4.6
119.03512	2.9
120.99660	5.7
129.01924	3.4
131.03528	2.0
132.88954	2.5
136.99147	15.3
157.01440	2.2
161.04559	2.1
161.09691	2.6
161.13364	44.3
163.11304	7.8
179.10741	5.4
179.14388	5.4
205.07141	10.8
205.12424	2.7
223.09746	2.6
249.06186	14.2
253.14442	21.7
263.07712	15.9
267.07230	22.7
281.08768	42.6
355.13867	3.5
380.95514	1.9
457.17050	8.3
457.23611	2.2
485.20328	3.9
517.22607	100.0
518.24017	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	516.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.7
61.98829	100.0
63.46433	0.5
70.63869	0.8
70.64223	1.1
78.95889	0.7
81.07144	0.5
106.54562	0.5
108.32848	0.5
116.92842	1.1
125.02439	0.6
125.06064	6.9
125.06744	0.6
138.32559	0.5
152.99637	1.5
164.58754	0.5
277.21747	1.5
391.32373	1.0
409.33258	11.7
409.38672	0.7
410.33682	1.4
453.31259	0.9
516.20166	0.8
516.27942	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	12.0
61.98835	0.6
69.16658	3.5
71.01379	1.1
72.90810	0.4
73.02935	1.1
89.02435	1.0
99.04536	0.5
101.02448	0.9
102.04580	0.4
113.02454	0.8
115.92124	0.3
116.92873	0.9
120.99651	100.0
121.99970	1.1
127.50539	0.4
265.10757	0.4
362.74857	0.4
499.16595	0.5
517.17108	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	517.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
59.01378	13.4
69.46400	0.4
69.77918	0.5
69.78219	2.5
71.01400	1.1
73.02966	0.4
74.02467	0.5
85.02966	0.9
89.02447	0.6
96.95972	0.5
98.19730	0.4
99.04528	3.8
101.02451	0.8
106.93800	0.5
113.02428	0.9
116.92867	0.5
120.99652	100.0
121.99985	0.7
122.99240	0.5
128.03545	0.5
143.04652	0.6
149.04535	0.4
161.21841	0.4
163.38184	0.4
179.10818	0.5
180.39426	0.5
186.04161	0.4
193.93068	0.5
240.57870	0.4
249.06213	0.5
256.66895	0.4
267.07181	0.6
279.07944	0.4
279.11087	0.5
306.07629	1.8
341.62888	0.4
487.16281	2.3
499.16345	9.1
500.17151	0.5
517.17542	20.7
518.17981	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	517.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	10.0
58.99593	2.3
59.01380	100.0
67.01891	4.5
68.99826	3.9
69.03462	3.5
71.01379	43.4
71.05013	9.0
71.52363	1.4
72.99301	4.1
73.02947	4.1
74.99096	24.0
75.00874	12.2
80.73109	1.3
83.01385	5.3
83.05029	5.1
84.47619	1.3
85.02952	43.5
87.00884	15.5
87.04526	1.7
87.87756	1.4
89.02439	11.6
93.03474	1.6
95.01391	6.1
96.96014	12.3
97.06602	2.5
99.00880	8.5
99.04524	5.6
99.21920	1.7
99.92596	2.8
101.02448	7.8
101.06100	2.4
102.98615	10.5
103.00378	5.7
107.05018	1.4
109.06637	1.4
110.45792	1.6
111.00860	4.5
111.04490	2.2
113.02450	59.4
115.00395	3.8
115.92091	3.4
116.92877	13.2
117.01952	1.9
119.03501	3.2
120.99653	4.4
129.01945	4.5
136.99127	19.7
139.00391	2.6
143.03522	2.3
143.04671	2.1
149.04581	1.6
157.05161	1.4
161.04517	1.9
161.09679	1.9
161.13361	30.8
163.11301	7.9
179.10803	2.0
179.14418	4.7
189.04002	2.0
191.05585	3.0
191.14433	1.9
205.07181	6.8
205.12308	2.7
207.05273	1.6
207.10287	3.4
223.09845	2.3
225.05893	2.6
249.06163	14.9
253.14470	14.3
263.07755	11.0
267.07220	35.4
281.08755	34.2
288.75275	1.8
306.07547	1.9
341.15973	3.5
355.17642	4.0
455.19507	2.6
457.17242	10.4
499.18079	2.1
509.73965	1.6
517.19397	54.7
517.22705	53.8
518.18353	2.8
518.22961	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	515.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.3
57.03449	0.2
58.00603	0.2
59.01378	4.7
60.79856	0.1
62.41845	0.1
63.15144	0.1
67.07047	0.1
71.01381	3.9
72.99289	0.2
73.02941	1.0
78.95862	0.2
83.01370	0.3
85.02946	0.9
87.00867	0.5
89.02437	3.5
95.01374	0.4
97.02933	0.2
99.00876	0.2
101.02438	3.6
113.02452	1.9
119.03518	0.9
123.58245	0.1
125.02440	0.3
131.03485	0.2
133.05031	0.3
143.03485	0.5
152.99594	0.1
161.04561	1.6
179.05586	0.6
202.09393	0.1
213.39587	0.1
235.08264	0.8
253.09279	14.2
254.09662	0.6
261.22256	0.3
279.23270	100.0
280.23611	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	515.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	0.5
63.01839	0.2
82.28860	0.3
90.53215	0.3
98.20734	0.6
106.04252	0.7
107.05035	0.8
121.02949	0.3
132.81389	0.3
136.73636	0.3
152.99561	0.5
163.11282	35.9
164.11577	1.4
175.11229	1.8
176.12083	1.0
177.09164	0.6
177.12831	4.2
190.10092	0.6
201.13007	0.3
207.10205	0.7
208.11043	3.5
267.13815	0.4
273.50870	0.3
279.23251	0.4
281.15387	1.8
282.16254	4.3
283.17010	7.1
284.17291	0.6
293.15509	1.6
294.16089	0.6
309.18631	0.3
321.18729	0.3
339.23251	100.0
340.23596	8.5
349.21744	0.3
351.23248	7.1
352.23587	0.6
355.77206	0.3
474.49722	0.3
515.35278	70.1
516.35596	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	516.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	6.9
61.98831	100.0
71.09053	1.4
81.03461	14.0
83.01383	1.0
83.05042	2.7
83.42650	0.8
91.79923	0.8
99.04504	1.0
106.77933	0.7
114.35142	0.7
125.01523	1.6
125.02447	34.0
126.02792	0.8
141.51285	0.7
150.86337	0.7
153.15883	0.8
160.71701	0.7
309.27942	0.8
329.78986	0.6
339.47751	0.7
453.32196	32.2
454.32681	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	515.2855
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
53.82870	0.5
55.15068	0.4
57.03450	1.7
58.00594	1.0
59.01377	34.8
61.98835	1.0
67.01876	1.0
68.99857	0.5
69.03454	1.2
69.27691	2.1
69.28120	1.9
71.01009	0.8
71.01383	13.5
72.99298	1.3
73.02946	7.0
73.48071	0.5
78.56364	0.5
81.03448	0.6
83.01379	3.2
83.05021	1.3
84.01763	0.5
85.02943	7.6
86.00086	1.0
87.00869	7.4
87.04528	0.5
89.02431	3.3
93.03455	8.7
95.01369	0.8
97.02961	0.8
97.79274	0.4
98.19927	0.8
99.00894	0.9
100.66447	0.4
101.02444	7.5
111.00916	0.5
111.04506	1.7
113.02446	3.9
117.41778	0.5
119.03466	0.7
120.99641	0.7
121.10182	1.2
122.03711	1.4
125.02525	0.9
125.09721	1.5
127.04034	0.7
127.11298	3.2
131.03621	0.5
134.03737	0.6
135.04533	0.7
137.09743	0.6
139.11295	0.8
143.03429	0.6
143.08615	0.5
149.06094	2.6
155.10750	0.9
165.09166	1.5
169.53676	0.5
171.08084	0.8
171.10280	5.5
172.42868	0.5
173.04539	6.6
176.08408	0.9
183.10211	1.8
185.11765	2.3
189.09113	1.1
191.05600	29.5
192.06029	0.7
199.07619	1.7
199.09735	1.2
200.08289	0.6
201.11298	29.4
202.11697	1.1
223.16975	0.7
242.37561	0.5
249.15021	0.7
263.12973	0.6
264.13617	3.3
265.14331	0.6
266.15283	0.6
275.20123	4.5
293.21204	7.6
294.21649	0.6
311.22250	16.6
312.22620	1.3
335.22177	0.9
339.67056	0.6
341.14075	1.0
345.15689	0.9
363.16556	1.5
455.20062	0.8
455.26492	16.1
456.26889	0.7
471.27252	1.1
473.27536	24.4
474.28021	2.8
497.27682	0.9
500.26956	0.8
515.28595	100.0
516.28931	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	515.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01721	1.0
69.26689	2.4
69.27110	1.9
71.01388	1.8
73.02950	0.9
85.02995	1.1
89.02462	1.9
99.04510	0.7
99.92590	0.7
101.02444	1.0
113.02477	0.7
116.92868	2.6
120.99709	0.8
133.08719	0.5
135.01228	1.3
147.34827	0.5
149.04570	5.1
189.12883	1.6
191.05684	1.7
207.13968	1.7
251.12918	5.0
255.83380	0.5
383.17139	3.4
385.31424	0.6
413.21997	1.1
455.23181	1.3
515.20911	2.7
515.28693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.2
59.01107	1.3
59.01379	17.2
61.98819	3.0
63.27938	1.0
67.01904	1.2
69.33443	5.0
69.33874	2.6
71.01389	8.5
72.99310	1.7
82.44727	0.9
85.02952	3.8
87.00873	1.3
89.02444	10.4
93.03457	4.1
95.01349	0.9
96.96015	1.2
101.02446	6.1
111.08202	1.1
113.02442	3.8
119.03497	3.6
122.03738	3.3
127.03986	1.2
135.04549	1.3
135.08144	2.0
136.05260	4.2
137.06065	1.6
138.03178	2.8
149.06085	6.1
151.07625	1.0
162.06880	1.0
163.07623	1.5
163.11208	1.3
165.05580	1.4
165.09120	1.0
173.04515	3.2
173.05891	0.9
175.11214	5.7
176.08411	1.3
177.09178	3.0
181.90865	0.8
189.09216	2.4
191.05620	16.1
191.10789	1.4
193.08627	2.7
196.99229	0.9
199.07579	1.5
205.08681	1.5
233.15468	3.1
235.13330	3.6
238.11018	1.0
247.13429	1.6
248.14058	2.3
249.14828	2.6
251.12558	1.0
251.16504	9.3
252.16862	1.1
262.64127	0.9
263.12875	21.2
264.13452	4.0
265.14233	3.0
266.15240	6.6
267.15591	2.1
281.13943	13.5
282.14594	2.1
299.16772	2.0
299.20151	38.9
300.20416	4.1
319.82773	1.1
421.59000	1.1
479.26505	100.0
480.26773	11.3
497.29077	1.2
500.26422	1.2
515.30524	15.4
516.30280	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	5.0
59.01376	14.5
63.64891	0.8
66.25066	0.8
67.01881	3.6
68.99509	1.5
68.99820	3.0
69.03431	2.5
69.26666	1.5
69.27071	6.0
71.01382	25.3
72.99299	1.1
73.02942	1.6
80.02682	12.3
81.03439	1.1
83.01381	2.8
85.02949	32.8
87.00874	10.0
87.04468	0.8
89.02434	1.8
91.04001	2.7
93.03431	1.1
95.01388	6.1
97.02964	1.1
99.00835	0.9
99.04510	9.4
101.02417	1.7
103.00386	1.9
107.08557	0.9
111.00884	3.9
112.01669	2.1
112.98575	2.8
113.02448	40.1
116.92764	0.9
120.05828	1.1
121.06580	2.3
129.01918	3.6
139.00362	2.0
157.01419	3.1
189.04031	2.2
189.12859	30.2
190.13245	2.0
205.07126	5.5
207.13887	20.8
208.14201	1.5
231.04993	1.2
233.11804	13.3
249.06125	9.8
251.12866	17.4
263.07724	15.4
281.08774	47.0
282.09116	2.1
294.43362	0.9
311.22366	1.2
325.16583	11.2
326.16803	0.9
354.55869	0.8
439.19772	4.7
483.18939	11.1
497.20413	4.8
515.21313	100.0
516.21765	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	515.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36528	3.4
59.01344	3.7
69.44650	9.7
69.45067	17.0
85.02948	3.8
85.78617	3.7
98.20658	4.4
112.09998	3.7
122.03730	53.9
134.35831	3.7
142.08009	3.3
146.75671	3.8
149.06093	10.6
163.98428	3.5
191.10744	7.1
266.15381	7.9
267.13095	4.9
267.15994	100.0
268.16367	5.0
323.55682	4.4
337.97012	3.6
407.85556	3.7
411.20148	9.7
471.22433	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	515.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33875	1.9
57.03444	7.2
59.01380	90.7
65.98557	1.7
66.59872	1.9
66.85867	1.9
67.01884	2.5
69.03439	3.2
69.34399	12.5
71.01382	32.3
71.12942	1.8
71.25146	2.3
73.02958	4.6
74.98043	1.7
79.95754	2.9
80.02691	5.3
83.01382	4.3
83.05002	1.8
85.02954	39.9
87.00888	14.3
89.02460	3.8
92.25085	1.8
93.03434	2.1
93.17352	1.9
95.01393	7.2
95.05005	2.0
96.96017	7.5
99.04510	7.1
101.02466	3.4
103.00350	2.8
109.06566	2.7
111.00895	4.7
113.02456	53.5
116.92811	2.5
120.05808	2.9
120.99642	6.7
121.06576	3.6
123.02119	2.1
129.01947	5.1
131.03535	2.0
135.01236	42.0
141.92386	2.2
145.84032	1.8
149.04527	10.6
172.15767	1.8
173.04614	2.0
189.03999	2.9
189.12828	19.3
191.05620	7.2
205.07164	5.9
207.13885	14.5
218.97523	1.9
249.06160	9.4
251.12886	28.9
252.13240	2.5
252.56924	1.9
263.07684	4.4
281.08777	56.3
282.09201	2.9
325.16714	6.3
353.08649	3.2
383.17059	10.7
439.19504	4.6
464.68323	2.2
471.19226	6.0
483.18750	12.5
515.21350	100.0
516.21912	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	515.2132
Annotation	hesperadin
Peak:m/z	Relative Intensity
50.33216	1.1
52.26480	1.5
57.03445	3.2
59.01379	15.1
61.98841	5.4
67.01888	1.8
68.99797	3.1
69.03456	2.9
69.91901	4.8
71.01382	20.6
73.02930	1.3
80.02672	3.4
81.03466	1.5
83.01363	2.1
85.02948	26.5
87.00872	8.0
89.02458	1.4
91.03990	1.5
95.01402	5.7
98.19993	1.4
99.04510	6.8
103.00345	1.2
109.06581	1.3
111.00882	3.9
112.01677	1.7
113.02448	33.1
115.00406	1.3
120.05790	2.1
120.99652	1.9
121.06603	2.0
129.01918	4.2
139.00378	2.4
151.67659	1.0
157.01414	2.9
163.14862	1.6
180.04196	1.1
187.11172	1.2
189.03983	1.2
189.12865	21.4
190.13187	1.6
191.08673	1.2
203.10725	4.1
204.11089	6.3
205.07193	5.3
207.13870	13.7
231.05070	1.6
233.11841	3.0
249.06239	8.5
251.10405	2.0
251.12862	23.9
252.13281	2.3
263.07681	15.5
264.22574	1.3
276.85962	1.0
278.60733	1.1
281.08768	31.5
282.09198	1.8
325.16467	11.0
394.31088	1.2
439.19733	8.1
442.81186	1.0
483.18683	12.1
484.19095	1.7
515.21320	100.0
516.21692	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	515.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21062	1.0
59.01381	11.6
69.03450	4.7
69.60204	2.7
69.60617	5.2
71.01384	6.0
73.02936	6.9
74.98792	1.1
80.02678	1.5
87.00875	2.9
87.14333	1.2
89.02446	18.0
99.04511	7.8
103.04030	3.0
105.01929	4.0
107.05027	1.6
109.06584	3.4
113.02410	1.8
120.05816	1.9
121.06590	6.4
131.03508	4.4
147.79556	1.1
149.04552	81.1
150.04916	1.6
163.14886	2.8
175.38058	1.2
189.12817	19.1
203.47549	1.4
207.13885	33.1
233.11826	5.5
239.44685	1.2
251.12860	100.0
252.13084	6.0
273.14560	1.2
365.16016	5.3
383.17087	70.2
384.17395	5.5
515.21307	55.4
515.28253	5.3
516.21783	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	515.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18649	0.9
55.01878	1.1
57.03456	5.3
58.00569	1.2
59.01379	37.4
61.98816	1.0
67.01881	2.1
68.99824	1.8
69.03467	2.1
69.39574	1.4
69.40182	6.5
71.01380	33.6
72.99308	8.7
73.02953	3.3
75.00872	24.6
78.18743	1.1
80.02678	19.4
81.03003	1.0
81.03442	1.4
83.01389	2.2
84.23155	0.9
85.02948	36.5
87.00883	13.1
89.02434	8.3
91.13345	1.0
92.78993	0.9
93.03446	2.4
95.01392	7.5
95.05044	1.3
99.00878	13.2
99.04532	3.5
101.02457	1.7
103.00387	3.6
107.08672	1.3
109.06570	1.3
110.09554	1.0
111.00903	1.3
113.02448	51.6
115.00375	2.7
117.01938	3.5
120.99674	3.9
121.06575	2.1
127.14573	1.1
129.01952	3.4
131.03503	1.1
149.04552	1.5
157.01488	1.6
175.02477	4.7
187.05864	1.1
189.12843	45.6
190.13235	2.8
191.05661	3.2
205.07173	4.8
207.05078	1.5
207.13901	3.0
221.15451	11.3
223.08276	2.2
231.05084	2.7
233.11871	10.1
249.03517	1.8
249.06128	38.2
250.06404	1.3
251.12804	5.4
252.76143	1.1
253.29160	1.1
265.14478	3.0
267.07190	100.0
268.07605	3.9
317.21216	1.1
439.19757	8.1
483.19205	1.4
515.21442	61.3
515.28741	12.4
516.21741	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	515.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
59.01374	20.9
61.98829	1.7
66.39315	0.9
69.03453	4.8
69.53706	5.8
69.54245	0.9
71.01385	6.1
73.02955	6.0
80.83705	1.0
85.02930	1.7
87.00891	1.7
89.02440	12.5
93.03423	1.4
97.06574	1.2
99.04501	2.8
101.02431	1.5
103.04008	2.5
113.02431	1.5
120.99596	2.1
121.06575	2.1
131.03519	3.4
135.04520	1.5
149.04552	39.9
150.04971	1.2
163.14891	5.3
171.11760	1.1
189.12849	11.6
191.05554	2.3
205.12286	1.5
207.13889	82.5
208.14218	3.9
233.11810	2.0
251.12862	100.0
252.13210	5.0
271.96341	1.0
281.08685	1.3
293.21127	1.2
294.05774	1.2
311.15118	2.1
365.16068	1.4
372.87714	1.0
383.17075	69.7
384.17331	7.0
515.21313	71.2
515.28131	4.1
516.21735	8.8
535.53992	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99559	0.3
59.01378	8.6
71.01388	1.2
71.52216	0.5
72.97524	0.4
73.02953	0.4
74.99097	1.7
83.01395	0.3
85.02952	1.0
87.00867	0.4
89.38754	0.3
93.03480	0.3
93.32711	0.3
96.96001	1.0
99.04513	1.1
101.02448	0.5
102.98595	0.9
113.02381	0.3
118.98096	1.7
120.99651	100.0
122.00011	1.5
135.04486	0.3
136.99159	0.8
161.06068	0.6
164.04832	0.4
179.07114	0.8
191.05643	1.6
205.17334	0.4
208.53654	0.4
219.10222	0.5
223.13368	0.7
231.10249	0.6
246.34229	0.3
251.16594	0.9
263.09299	0.7
267.12323	0.4
271.43774	0.4
275.09204	0.8
293.10410	1.7
323.19000	0.4
515.15857	9.0
515.23889	0.8
516.16376	1.3
531.60083	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.2
61.98820	0.5
64.38910	0.4
67.01888	0.7
70.09124	1.1
70.09520	0.9
71.01393	1.3
81.03485	0.6
83.62086	0.5
85.02945	8.9
87.00870	2.4
93.03455	6.3
96.95995	0.9
109.02961	0.7
111.04524	0.9
111.47512	0.4
117.03477	1.0
118.98109	2.0
121.21379	0.5
127.03995	2.8
132.02174	1.3
133.02954	8.2
135.04527	6.4
137.02515	0.5
160.01616	2.6
160.08479	0.4
161.02438	45.6
162.02745	2.1
171.03072	0.5
173.04568	3.8
178.51797	0.5
179.03502	5.2
191.05611	100.0
192.05968	3.1
301.41653	0.5
307.06659	0.5
323.07700	43.5
324.08005	2.5
341.08798	2.7
353.08792	2.8
499.23361	0.4
515.14014	22.6
516.14307	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	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39341	0.5
59.01377	1.6
61.05454	0.5
67.01897	0.8
70.01174	1.6
71.01381	1.3
85.02950	9.1
85.24556	0.4
87.00883	2.9
93.03458	7.2
96.96033	0.5
109.02970	0.9
111.04506	1.7
117.03458	1.1
118.98078	0.7
127.04004	1.8
132.02184	1.2
133.02971	8.2
135.04535	5.0
160.01656	3.2
161.02448	46.5
162.02794	1.9
166.70010	0.4
171.02975	0.8
173.04536	1.7
179.03503	5.6
191.05614	100.0
192.05972	3.2
323.07700	45.4
324.07916	2.9
341.08710	2.2
353.08835	2.7
474.29980	0.5
507.47949	0.4
515.14050	24.2
516.14520	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	515.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49484	1.2
57.03447	1.3
58.99596	5.0
59.01380	52.2
61.98829	2.2
62.56701	1.1
62.83364	1.3
62.84733	1.3
67.01890	4.0
69.03435	1.3
70.01562	1.1
71.01380	9.5
71.52160	1.3
71.52624	1.3
72.97543	1.4
73.02953	2.6
74.99088	5.1
81.03452	2.2
83.05022	2.8
85.02944	6.6
87.00842	1.8
89.02454	4.8
93.03463	23.8
94.03800	1.3
95.95220	2.8
96.96010	13.2
97.02922	1.4
99.04508	5.5
101.02459	4.6
102.98592	26.4
111.04518	6.6
113.02453	4.7
115.92064	2.3
116.92850	6.3
118.98074	1.3
119.03518	2.3
120.99664	16.2
127.04054	2.3
133.02957	2.5
134.03712	2.8
135.04526	73.0
136.04886	3.3
137.02463	6.3
143.03459	1.5
155.03513	6.2
161.02454	7.8
161.04521	2.6
163.00691	1.8
173.04547	100.0
174.04906	2.9
179.03499	75.7
179.10663	1.2
180.03830	2.7
191.05609	45.3
203.03445	2.9
221.06366	2.0
255.06679	1.5
267.15964	1.6
299.05518	2.0
335.07693	3.0
353.08759	94.5
354.08975	6.8
377.94189	1.2
383.20782	2.0
419.94333	1.3
427.14380	1.6
455.23279	1.4
468.25342	1.3
515.11487	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	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
60.99297	0.3
61.98829	0.6
67.01889	1.5
69.03440	0.3
69.61559	1.9
71.01367	1.2
81.03469	0.3
83.05019	0.3
85.02948	5.1
87.00876	3.0
89.02425	0.4
93.03463	11.2
94.23927	0.3
96.95994	1.0
98.19933	0.4
102.05614	0.6
109.02943	0.6
110.37346	0.3
111.04488	1.5
113.07232	0.4
127.04019	1.4
128.03505	2.0
129.01962	0.3
129.03859	0.4
133.02956	1.1
135.04527	8.8
136.04861	0.4
146.04579	0.8
155.03523	0.6
155.08289	0.3
161.02440	4.2
167.04633	0.3
171.03036	0.6
173.04541	3.7
177.41187	0.3
179.03514	6.8
183.22682	0.3
191.05608	100.0
192.05923	2.8
220.98637	0.3
240.11636	0.3
323.07605	1.5
341.08713	0.9
342.15103	0.6
353.08749	14.1
354.09186	1.0
471.19485	0.6
483.03387	0.3
514.22070	0.3
515.14124	16.3
515.21643	1.2
516.14447	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
59.01374	2.3
60.99304	0.6
61.34475	0.4
61.98822	1.1
65.07625	0.4
67.01892	1.9
69.03442	0.5
69.96837	2.0
71.01379	1.6
81.03456	0.7
85.02950	5.4
87.00880	4.3
93.03458	15.6
96.96020	1.1
98.20601	0.7
101.02427	0.6
108.51892	0.5
109.02965	0.4
111.04534	2.7
111.59267	0.5
118.98061	0.4
126.99328	0.4
127.04024	1.4
132.02177	0.7
133.02939	1.7
135.03496	0.9
135.04520	15.1
155.03456	0.5
160.01645	1.1
161.02438	10.3
162.02705	0.6
163.04004	0.6
173.04527	3.9
179.03502	11.6
191.05605	100.0
192.05931	2.6
198.09435	0.5
250.77911	0.5
313.46381	0.4
323.07608	2.8
341.08734	0.8
353.08737	12.7
354.09372	0.9
395.09760	2.9
442.51563	0.5
448.79346	0.4
468.84189	0.4
489.57932	0.5
515.14001	44.3
516.14307	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	514.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.4
61.98830	100.0
62.98542	0.1
66.16691	0.1
69.30464	0.4
69.30890	0.5
84.58586	0.1
96.96009	0.5
98.20739	0.1
106.44759	0.1
115.36245	0.1
118.60025	0.1
179.03548	0.1
197.07823	0.1
306.81787	0.1
514.27032	0.2
514.33624	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74557	0.6
59.01382	22.3
61.98822	2.0
66.00228	0.6
69.01009	0.6
70.77836	1.5
71.01385	4.3
72.97535	1.5
73.02930	1.0
73.69482	0.7
74.99104	2.3
83.05006	0.8
85.02956	7.4
87.00864	3.0
89.02452	2.5
90.31147	0.6
91.05528	0.6
93.03468	8.6
94.03775	0.8
96.96014	6.6
98.19947	0.6
98.95593	0.8
99.04518	1.3
101.02425	1.9
107.05028	1.3
111.04500	1.7
113.02446	3.6
116.92830	0.7
117.54688	0.7
118.98077	1.0
119.03482	0.8
127.04015	1.6
133.02997	1.8
134.03763	3.8
135.04526	55.5
136.04826	1.8
136.99133	1.1
137.02452	5.1
155.03448	1.0
161.02461	5.7
161.93968	0.6
166.06355	4.6
169.08740	0.9
173.04544	5.3
179.03500	50.2
180.03877	1.5
181.08710	1.7
191.05614	100.0
192.05959	2.5
267.07159	1.4
267.15729	0.7
325.73199	0.6
353.08774	65.7
354.09076	4.6
383.20551	1.0
413.11240	1.4
515.15991	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	514.302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15562	2.1
57.03455	12.4
57.08769	2.6
59.01410	2.5
61.98832	76.4
69.98185	7.2
69.98580	4.8
75.00897	2.3
78.95901	4.5
79.05544	2.6
81.03470	20.3
83.01392	10.1
109.75983	2.1
110.61228	2.3
123.04561	12.5
125.01530	4.8
125.02454	100.0
136.84694	2.7
167.03543	4.8
195.96568	2.5
277.21695	7.5
278.22061	10.1
323.29474	3.4
365.30499	3.1
389.14951	2.7
407.31534	11.3
451.30661	72.0
452.31061	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.2
57.46772	3.2
61.98830	100.0
78.71574	2.9
78.95902	5.0
87.00845	3.8
93.03455	6.9
95.99783	3.3
98.19849	7.2
109.02936	3.8
111.55179	3.3
123.08213	16.4
125.06085	7.6
135.04498	6.3
136.18327	2.9
152.99529	6.2
154.99957	3.5
167.07123	13.9
173.04506	5.9
177.55293	3.1
179.03561	3.5
191.05719	5.9
196.72482	3.2
278.22159	6.1
345.31354	4.0
407.31497	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	514.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84404	0.9
52.04916	0.9
57.03442	9.1
59.20714	0.9
61.98827	100.0
62.09837	0.8
65.00320	3.1
65.03987	1.0
67.01882	3.3
68.99818	1.5
69.71774	4.5
71.01406	0.9
78.95901	2.9
81.03455	32.2
83.01395	6.0
83.05016	6.3
85.02946	13.1
87.00857	1.3
88.07442	0.9
93.03452	4.6
107.01387	1.7
107.05022	2.8
109.02941	3.8
114.22123	1.2
125.02442	62.7
125.06069	1.6
126.02774	1.5
137.86043	1.1
139.28825	0.9
149.06027	1.6
151.03998	1.8
152.99564	3.1
153.01915	8.0
167.07188	1.2
173.04503	2.1
191.05600	1.5
211.04208	1.4
211.06110	17.9
255.23203	2.1
273.09454	1.0
281.16629	1.0
307.26270	1.4
325.27457	9.2
326.27386	1.6
335.23309	1.1
347.29572	1.5
389.30527	4.3
433.29556	8.5
434.29895	1.2
440.03992	1.1
450.31216	1.0
451.30621	29.3
452.30902	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	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
59.01379	7.0
69.18179	1.8
69.24178	0.2
71.01007	0.4
71.01387	4.9
73.02950	0.7
83.01388	0.7
85.02955	1.3
87.00873	0.4
89.01928	0.3
89.02447	3.3
89.20581	0.2
95.01382	0.3
98.20641	0.5
100.90557	0.2
101.02441	4.0
113.02468	2.0
115.04008	0.2
118.93159	0.2
119.03497	1.1
125.02459	0.3
127.07646	0.3
133.05061	0.5
143.03528	0.3
157.05061	0.2
161.04565	1.3
164.12630	0.2
179.05621	0.7
204.81607	0.2
233.22707	0.3
235.08133	1.0
253.09279	15.4
254.09613	0.5
259.20679	0.4
275.20056	0.5
277.21707	100.0
278.22046	7.4
385.45782	0.2
433.06052	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
55.10286	0.1
55.39193	0.1
57.03439	0.1
58.00599	0.3
59.01375	7.4
71.00975	0.2
71.01377	4.9
72.99303	0.3
73.02943	1.2
80.64879	0.1
81.03448	0.1
83.01384	0.8
83.05037	0.2
85.02933	1.1
87.00886	0.8
89.02446	4.5
91.04023	0.2
91.23586	0.1
95.01397	0.3
97.02937	0.2
99.00871	0.3
101.02436	4.8
103.04038	0.2
106.42912	0.1
113.02444	2.2
114.69653	0.1
119.03494	1.1
125.02457	0.3
127.07642	0.3
131.03537	0.2
133.05113	0.2
143.03485	0.4
157.05084	0.2
161.04552	1.8
179.05598	0.6
183.25330	0.1
233.22736	0.3
235.08171	1.0
253.09268	16.8
254.09534	0.5
259.20627	0.4
275.20160	0.4
277.21698	100.0
278.22037	7.9
281.39807	0.1
442.57687	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	513.2702
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
55.01878	0.8
55.28032	0.3
58.00591	0.7
59.01379	100.0
60.01722	0.9
61.98839	0.6
69.03457	0.8
71.01379	17.1
71.05022	0.8
72.99326	0.9
73.02946	18.5
75.00861	0.6
83.01387	4.9
83.44097	0.3
85.02950	3.5
87.00887	1.4
89.02439	5.1
93.03465	0.9
95.01413	0.7
97.02949	0.7
97.06628	0.4
98.51120	0.3
99.00879	0.9
99.04539	0.4
99.92625	1.0
101.02442	15.4
111.04523	0.4
113.02444	6.6
115.92056	1.0
116.92864	4.7
119.03498	1.7
120.99647	1.6
121.89447	0.3
125.02463	0.9
131.03508	0.9
133.02956	0.4
135.04529	0.9
137.09706	0.9
143.03523	0.8
148.35773	0.3
149.04530	0.9
149.06085	0.5
155.03520	0.7
161.02419	0.5
161.04555	2.0
171.10229	1.5
173.04539	0.7
191.05634	1.5
247.13509	0.5
248.14137	0.5
265.14529	0.3
267.07245	0.9
273.18588	1.1
291.19662	13.6
292.20035	1.1
293.21014	0.4
309.20724	1.5
320.69907	0.4
411.23746	0.5
425.19885	0.4
435.23868	0.5
453.24951	3.2
454.25085	0.6
471.25964	5.5
472.26202	0.7
495.26038	6.0
496.26437	0.6
498.25510	0.5
513.27002	87.7
514.27386	9.6
532.40350	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
57.03448	1.3
59.01378	100.0
67.01905	0.9
67.54581	0.6
68.99831	0.9
69.03436	0.9
71.01378	12.0
71.01732	1.0
71.53470	1.1
72.99314	0.7
73.02949	4.1
73.21177	0.6
79.47820	0.6
83.01418	2.2
83.05075	0.8
85.02952	11.7
87.00879	4.7
89.02437	3.1
91.04035	0.6
93.03475	0.7
95.01387	3.2
95.05034	0.9
99.00904	0.6
99.04518	1.5
99.92589	6.9
101.02444	5.1
101.85213	0.6
102.98639	1.1
103.00368	1.1
111.00903	0.9
111.04565	0.7
113.02449	17.9
116.92858	68.5
117.01960	3.3
117.92860	4.4
118.98133	0.8
119.03509	1.1
120.99692	2.1
122.61205	0.7
129.01938	1.8
131.03535	1.2
134.04770	1.6
143.03488	0.7
149.04512	3.6
161.04584	1.5
161.13359	9.7
162.13853	0.7
187.11324	2.8
191.05655	1.3
205.07150	4.1
205.12323	9.3
249.06212	2.2
249.11432	1.5
250.09706	2.5
263.07684	7.1
267.07419	1.0
281.08762	25.5
281.11890	1.3
282.09314	1.3
324.22607	0.9
331.79953	0.7
437.17819	0.7
469.20755	11.1
470.21399	1.3
513.19690	4.9
513.26465	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27704	3.6
50.99963	3.8
54.81242	3.5
59.01380	52.5
61.98836	7.6
66.50174	3.9
69.84643	8.7
69.85057	11.5
70.28262	3.5
71.01362	8.5
72.83687	3.6
72.97541	7.3
73.02940	7.3
74.02470	8.0
76.85535	3.5
78.74722	3.7
79.95729	4.1
80.96493	3.4
83.05055	3.8
85.02920	5.3
87.13017	3.8
93.03466	11.8
96.96019	27.4
98.20692	4.3
101.02466	18.6
102.98594	9.4
104.03541	38.9
113.02398	5.7
118.98106	8.1
122.03734	4.9
133.02928	3.6
135.04486	8.6
149.06058	32.3
150.06854	8.0
161.04620	4.3
164.28354	4.0
173.04506	20.3
176.44862	4.1
191.05634	11.6
219.13794	3.8
231.13869	8.0
235.55359	3.4
248.14209	47.1
249.14931	100.0
250.15260	4.5
251.08109	4.4
269.27362	3.6
297.11633	4.4
351.21616	5.5
393.18747	4.9
397.09503	6.7
513.14526	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	513.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08393	1.0
59.01376	4.6
61.87620	0.9
61.98822	4.0
63.55978	1.1
70.54524	1.0
71.01395	1.0
73.02929	1.2
82.59874	1.0
85.02954	1.4
87.00866	1.3
93.03481	2.2
95.12251	0.9
96.96017	4.2
101.02436	1.2
118.98084	5.2
122.01745	1.0
122.03754	4.7
126.90389	1.4
149.06075	4.2
176.08400	2.5
191.05638	3.6
191.10782	1.7
193.08701	2.2
214.10057	1.4
220.60944	1.0
229.12314	2.2
256.79474	1.1
264.13538	1.5
265.14395	14.6
293.96451	1.1
339.05066	1.2
351.21744	100.0
352.22183	6.8
409.18527	1.7
469.20294	1.8
510.61014	1.4
513.20453	2.3
513.26630	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	513.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27568	4.5
58.22786	4.8
59.01363	14.0
75.17792	6.1
75.94286	4.7
77.97667	4.5
96.96005	11.1
98.19766	10.8
122.03695	6.4
124.90623	5.3
135.04501	5.3
149.06044	11.0
149.09341	5.5
161.06163	5.9
176.08423	100.0
177.08887	8.4
191.10779	69.2
212.79128	5.8
227.92624	5.8
265.14392	62.8
266.14682	7.2
317.13535	5.5
413.10645	5.3
513.14301	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	513.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98078	1.7
59.01379	43.1
60.97509	5.4
60.99302	4.0
61.98815	2.8
67.01888	9.1
69.03456	3.5
69.66929	8.5
71.01377	12.1
72.97533	93.5
73.02951	10.7
74.02477	5.5
83.05000	3.2
85.02957	9.7
87.00878	16.2
87.01349	2.9
89.02430	3.0
89.96799	1.9
93.03458	64.2
96.96011	9.6
97.87180	1.7
99.04507	4.9
101.02456	9.0
105.99381	1.7
108.02159	2.2
109.02972	3.1
111.04511	10.7
113.02427	4.1
122.03746	32.1
129.10358	2.6
132.02118	5.4
133.02939	6.9
134.03764	4.4
134.97572	20.5
135.04507	7.2
136.05350	4.1
137.06082	2.3
143.03477	3.4
143.11858	4.2
148.05350	3.0
149.06082	16.8
150.13821	1.9
151.07678	4.2
155.03374	2.6
160.01682	11.2
161.02411	2.6
161.04620	2.6
161.06052	2.7
161.09869	1.9
162.06895	4.2
163.07681	2.7
165.09296	1.7
173.04549	52.7
173.06032	3.1
174.04846	2.6
176.06898	4.0
176.08423	63.2
177.01913	2.2
177.09021	3.9
178.02699	3.0
179.03508	5.1
190.09952	3.9
191.03941	1.3
191.05618	40.7
191.09045	3.2
191.10770	62.6
192.11137	3.3
205.08794	4.1
210.12500	6.4
212.21590	2.0
214.15564	5.6
228.13554	4.1
229.12265	5.7
235.13405	2.6
247.13394	6.2
251.12993	3.2
256.77875	1.9
264.13568	3.5
265.14432	100.0
266.14648	6.2
282.14737	5.4
283.15475	23.1
307.15558	2.2
321.07663	7.7
327.24182	3.1
329.44220	1.9
339.08389	2.3
367.10266	13.2
409.18558	7.2
427.19540	3.5
445.20618	3.8
469.20978	2.9
470.26257	33.0
513.13904	27.0
513.26276	3.3
514.28638	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	4.3
58.55465	0.6
58.99580	0.9
59.01379	18.1
59.15926	0.6
61.98844	0.6
69.18017	2.0
69.18444	4.1
71.01381	5.5
73.02946	4.8
75.00862	0.8
82.05212	0.7
83.01371	0.9
85.02942	2.0
85.27475	0.6
87.00900	1.5
89.02452	1.1
96.95982	0.7
99.04524	6.6
99.07997	0.6
100.26929	0.8
101.02438	5.7
102.98592	6.3
113.02454	2.1
116.92829	1.3
119.03538	0.9
120.99656	100.0
122.00046	0.7
125.09738	0.7
135.04591	0.8
149.04602	0.7
161.04555	5.2
179.03363	0.7
207.13704	0.7
244.23318	0.6
249.14835	1.1
251.16545	0.9
267.07285	0.8
291.19662	7.4
309.20654	1.3
369.13773	36.7
370.13974	3.7
411.14764	0.9
453.24939	1.1
471.26038	2.6
513.18616	1.7
513.26892	14.7
514.27502	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17562	0.5
53.24454	0.7
59.01379	18.3
59.57899	0.6
61.98792	0.8
69.03455	2.2
70.49760	0.7
70.73399	1.1
70.73749	1.2
71.01379	12.6
73.02943	14.3
81.07085	1.0
83.01395	1.8
85.02962	2.2
87.00863	2.7
87.04490	0.7
89.02441	23.3
93.03468	1.8
96.96024	0.7
99.00838	0.8
99.04533	1.0
101.02448	6.0
103.04024	5.1
113.02462	2.9
131.03511	2.7
137.02432	2.0
149.04552	100.0
150.04887	2.1
161.13362	23.6
170.59584	0.7
183.10228	1.0
187.11246	5.7
187.12706	0.8
191.05638	1.3
205.12325	29.1
206.12692	2.1
223.13161	1.6
229.19559	0.8
231.10170	0.7
237.11147	0.9
238.98044	0.8
247.17188	0.8
249.11284	15.9
250.11589	1.3
273.18576	1.7
291.19614	3.3
293.08328	0.7
309.20956	1.2
337.16562	1.5
363.14575	2.9
381.15472	22.8
382.15863	1.5
394.23596	0.6
453.24976	2.5
471.25876	3.6
513.19702	26.4
513.27112	22.9
514.19946	3.3
514.27582	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	513.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14227	1.7
56.28778	1.5
58.00576	3.2
59.01380	54.3
61.98816	5.5
62.26381	1.8
62.75030	1.6
69.70560	10.6
71.01380	36.5
72.99316	2.9
73.02966	3.8
75.01606	2.0
76.67590	1.9
80.05071	4.1
83.01388	3.3
85.02941	10.5
87.00866	12.1
89.02448	29.2
93.03464	2.6
94.06591	2.6
96.96011	9.0
98.20689	2.5
101.02439	27.3
108.04530	1.8
109.02924	2.4
109.10954	1.9
113.02437	14.1
119.03478	14.7
121.05330	8.1
122.06123	17.6
136.03996	3.5
138.05600	6.5
140.07181	3.2
148.04008	5.0
149.04688	4.3
150.05586	6.3
156.20390	1.8
158.27167	2.0
159.06868	4.0
165.04301	4.1
166.05063	8.2
173.08447	4.2
174.05566	3.0
179.05653	2.2
184.11308	5.0
188.07104	4.6
189.07901	3.0
191.05592	4.1
202.12350	11.5
204.06639	7.8
204.10165	2.9
213.06602	3.5
216.06644	7.7
216.08752	2.2
217.07368	6.7
220.03598	1.9
228.10197	6.1
229.09843	13.0
231.09129	2.8
231.11345	40.4
242.10559	2.2
243.11305	2.5
246.11325	14.1
253.09726	6.0
270.10007	4.2
271.10867	52.4
272.11325	2.3
273.12314	3.7
312.10770	2.4
328.10144	3.4
346.11404	5.2
390.10651	1.7
397.13675	8.0
408.16171	2.2
426.17636	4.2
427.18442	2.9
433.15994	5.3
451.17184	45.2
452.17010	3.4
467.40173	1.7
469.18182	8.9
495.16013	8.8
513.17194	100.0
514.17505	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	513.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74598	1.3
58.00581	1.9
59.01376	51.7
61.98814	4.5
62.97754	1.2
63.83225	1.1
68.98217	1.1
69.60800	8.0
71.01379	27.3
72.99285	3.6
73.02949	2.5
83.01364	1.7
85.02956	6.9
85.03403	1.2
87.00885	8.1
89.02444	24.1
91.04992	1.1
92.05083	1.2
94.06586	1.3
95.01380	2.4
96.96004	5.8
101.02435	18.7
103.84884	1.1
108.04514	3.6
113.02441	10.8
119.03512	11.0
119.04294	1.6
120.02879	1.1
121.05321	6.6
122.05347	1.4
122.06127	13.4
131.03528	1.7
136.03979	1.3
136.07693	1.9
138.05653	8.6
140.07178	1.5
148.04034	4.0
149.04723	2.9
150.05635	7.1
158.06024	1.3
159.06862	1.9
160.11308	1.5
161.04594	2.2
161.26103	1.1
165.04266	4.0
166.05083	5.5
172.07790	1.4
173.08403	2.8
174.09264	1.8
174.12915	1.9
175.06337	2.3
179.05586	2.3
184.11269	4.1
188.07140	3.6
188.10698	1.5
189.07860	1.7
191.05594	4.2
197.07309	1.1
197.09390	1.1
202.12340	10.3
204.06604	6.9
204.10278	1.6
213.06689	3.5
214.07500	1.4
216.06625	5.2
216.08862	2.5
217.07370	5.7
218.08110	2.1
227.08258	2.5
228.10240	3.7
229.09840	9.0
230.08228	1.4
231.09026	3.0
231.11340	31.0
232.11678	2.8
238.07449	1.9
242.10587	1.6
243.11273	3.1
246.11353	15.1
247.11000	1.2
253.09761	3.9
270.10074	2.8
271.10867	36.4
272.11377	2.1
311.06140	1.2
312.10849	1.6
328.10117	1.6
339.05008	5.4
346.11417	4.2
390.10242	2.9
397.13794	6.4
408.16483	1.5
426.17493	2.8
433.16040	4.3
451.17145	39.9
452.17090	3.6
469.18558	6.9
470.16925	1.6
495.16119	9.5
507.22784	1.3
513.10516	6.8
513.17175	100.0
513.26227	3.9
514.17511	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	513.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19882	2.0
59.01111	2.9
59.01380	32.7
60.97524	8.2
60.99302	2.8
61.98832	6.3
67.01882	10.8
69.03431	2.4
71.01369	9.7
71.52386	2.6
71.52794	2.9
72.97533	100.0
73.02917	4.2
80.58626	2.1
80.96524	2.7
85.02943	7.6
87.00883	14.7
93.03458	87.4
96.96003	9.5
99.04505	4.3
101.02434	5.1
102.98592	2.3
111.04520	12.9
113.02432	6.5
122.03748	9.9
129.01949	2.6
132.02147	7.0
133.02972	7.9
134.03709	5.2
134.96658	2.4
134.97595	26.3
135.04539	7.0
137.02464	2.6
144.85278	2.1
149.06050	6.8
155.03484	2.5
160.01660	11.5
161.02353	3.8
173.04541	67.5
173.06059	4.1
176.08406	18.8
178.02798	3.1
179.03490	5.4
191.05624	50.4
191.10789	18.9
206.09187	2.0
210.12411	2.5
224.85242	2.0
228.90245	2.2
237.85336	2.1
265.14459	38.6
266.14581	2.8
282.14594	2.2
283.15372	6.6
290.80664	2.2
321.07648	6.6
324.00098	2.0
339.08566	3.4
367.10385	14.1
409.18555	2.6
459.45557	2.1
470.26215	5.0
481.84116	2.5
513.13953	27.8
513.20496	3.5
513.26880	3.8
514.13928	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	513.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19882	2.0
59.01111	2.9
59.01380	32.7
60.97524	8.2
60.99302	2.8
61.98832	6.3
67.01882	10.8
69.03431	2.4
71.01369	9.7
71.52386	2.6
71.52794	2.9
72.97533	100.0
73.02917	4.2
80.58626	2.1
80.96524	2.7
85.02943	7.6
87.00883	14.7
93.03458	87.4
96.96003	9.5
99.04505	4.3
101.02434	5.1
102.98592	2.3
111.04520	12.9
113.02432	6.5
122.03748	9.9
129.01949	2.6
132.02147	7.0
133.02972	7.9
134.03709	5.2
134.96658	2.4
134.97595	26.3
135.04539	7.0
137.02464	2.6
144.85278	2.1
149.06050	6.8
155.03484	2.5
160.01660	11.5
161.02353	3.8
173.04541	67.5
173.06059	4.1
176.08406	18.8
178.02798	3.1
179.03490	5.4
191.05624	50.4
191.10789	18.9
206.09187	2.0
210.12411	2.5
224.85242	2.0
228.90245	2.2
237.85336	2.1
265.14459	38.6
266.14581	2.8
282.14594	2.2
283.15372	6.6
290.80664	2.2
321.07648	6.6
324.00098	2.0
339.08566	3.4
367.10385	14.1
409.18555	2.6
459.45557	2.1
470.26215	5.0
481.84116	2.5
513.13953	27.8
513.20496	3.5
513.26880	3.8
514.13928	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	512.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.2
59.39069	0.3
59.84335	0.4
61.98822	0.7
62.35437	0.4
68.75790	0.3
69.69688	0.8
69.70094	1.9
71.01377	3.8
72.01742	0.5
85.02975	0.4
89.02454	0.5
92.02551	1.4
93.03480	0.6
98.19949	0.7
98.50987	0.4
99.04529	2.0
107.03632	7.2
113.02431	0.5
115.00372	7.4
116.00688	1.2
118.68468	0.4
122.03750	0.6
133.01445	3.9
134.04732	100.0
135.02980	0.7
135.05067	1.6
149.09689	0.4
151.60240	0.4
176.08478	0.8
191.05608	0.8
197.16441	0.4
201.08185	0.4
214.75700	0.5
249.14877	1.8
357.01434	0.4
512.18604	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.359
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
66.48755	1.0
70.02839	1.0
71.25462	1.0
71.91112	1.1
86.06898	1.0
98.20675	2.5
117.86057	1.1
134.90231	1.1
144.35341	1.1
168.60847	1.1
174.22418	1.0
294.73312	1.2
390.97098	1.1
405.37277	1.7
449.36401	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	511.27
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82126	3.2
53.58257	2.9
58.28012	3.0
59.01356	4.7
69.95561	10.6
74.80775	2.8
80.95092	2.7
83.05032	4.9
97.06582	3.2
122.03728	13.4
134.03766	10.6
135.04483	9.5
148.05336	6.2
149.06096	48.2
150.06499	2.8
159.04546	23.0
160.05249	3.9
161.06064	7.6
162.06837	6.1
163.07625	3.4
171.08125	21.3
171.10223	5.4
172.05342	5.5
173.06056	11.5
174.06862	70.9
175.07359	5.2
176.08450	9.7
177.09158	16.1
183.89682	2.9
183.91339	2.8
187.07571	5.8
188.08342	5.3
189.09198	35.7
191.10750	8.2
191.21033	3.0
203.07214	4.7
203.10786	3.8
209.10005	4.1
209.11790	21.1
213.09198	5.1
227.07199	5.3
228.58133	3.0
232.10988	7.0
233.11725	7.5
247.13390	100.0
248.13768	10.7
261.11295	7.2
263.12894	27.7
264.13394	8.4
265.14401	8.8
339.15903	4.6
340.17142	3.3
355.16025	4.3
368.16257	6.5
384.15820	7.4
409.20065	3.7
439.21268	3.7
496.24707	55.2
497.24796	5.3
511.26877	23.7
533.68719	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	511.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15273	0.7
56.96088	0.6
57.03428	0.7
59.01375	0.8
61.98824	3.8
64.83341	0.7
69.37506	0.7
70.27590	1.9
70.27940	1.3
83.05016	2.5
88.04004	1.0
113.46141	0.6
122.03744	2.1
134.03705	1.7
135.04536	1.0
148.05371	0.9
149.06081	8.9
158.04643	1.0
159.04475	1.3
161.06090	1.2
163.07649	1.3
171.08186	0.9
173.06068	1.6
174.06902	4.2
177.09183	2.1
189.09210	5.5
191.10934	0.8
209.11810	2.6
213.05507	0.9
215.10931	0.7
227.07176	3.4
232.25514	0.8
233.11736	1.4
239.07222	1.8
240.07936	4.9
241.08624	1.4
245.11914	0.8
247.13501	3.5
248.13983	1.0
253.08604	1.7
255.06744	1.0
255.10077	1.4
263.12863	5.6
264.13690	0.8
265.08609	1.2
266.09503	1.0
267.10107	1.7
281.08334	0.7
281.11890	1.8
311.12881	1.0
312.13559	1.3
323.12943	0.9
325.14401	8.3
326.15088	1.9
339.15967	8.5
340.16632	2.2
341.13953	1.5
344.12634	0.9
353.17419	0.8
355.15485	4.4
365.17639	3.5
366.18329	0.9
368.16226	7.0
370.18082	0.9
381.17041	5.6
382.17105	1.1
384.15875	6.7
393.16312	0.9
397.20810	0.8
409.19958	1.6
410.20959	1.2
421.20050	5.8
422.20889	2.3
423.21512	0.8
437.23499	3.0
439.21176	11.1
440.21658	5.1
453.22824	0.9
457.23099	0.9
496.24664	100.0
497.24988	13.1
511.27060	13.4
512.27362	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01691	1.7
61.98823	1.9
71.01382	13.1
71.52152	1.3
71.52528	0.9
76.31448	0.8
85.02974	0.9
89.02464	1.2
92.54961	0.8
93.03460	1.6
99.04520	1.9
99.92566	2.9
107.03648	1.6
115.00370	29.6
115.92094	1.5
116.92861	16.9
119.05028	43.5
120.05352	1.4
121.25549	0.9
133.01424	24.9
134.04730	28.4
135.04497	1.4
145.02937	4.6
159.04510	2.5
163.04004	48.5
164.04399	1.3
166.06578	0.8
166.73564	0.9
171.08083	2.8
174.06828	13.5
189.09213	19.8
190.09651	0.8
191.05516	1.5
239.10030	0.8
247.13387	8.2
315.40814	0.9
325.09229	2.6
428.96442	1.1
511.17267	2.1
511.23666	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	510.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.2
59.01366	0.8
59.12082	0.5
61.98810	0.6
67.01880	0.5
68.42772	0.5
69.03445	0.9
81.03455	100.0
82.03781	1.3
82.06623	1.3
82.22077	0.5
83.01373	1.2
90.24216	0.5
93.03455	0.9
94.06644	0.8
98.34994	0.6
99.04533	1.1
106.36214	0.5
122.03659	0.6
122.33650	0.5
124.07650	1.5
125.02486	0.6
125.85408	0.6
137.02470	2.5
149.06058	0.7
154.08693	3.0
162.97211	0.5
189.09244	1.1
198.07678	2.5
247.13153	0.7
248.14140	0.8
263.12888	1.0
289.72894	0.6
317.21219	2.2
317.65878	0.6
331.28986	0.6
351.32285	0.7
368.16278	0.5
375.32303	0.5
510.25705	2.4
510.37961	81.9
511.27216	4.3
511.38263	10.0
515.19604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.9
61.98832	1.2
69.58533	2.0
70.62913	0.3
71.01403	0.5
76.90978	0.3
79.95736	5.9
82.31628	0.3
85.02945	0.5
87.00834	0.3
93.03470	0.3
96.96008	100.0
98.20638	0.3
98.95614	0.4
101.02457	0.5
102.05614	0.5
108.02179	7.7
113.02496	0.3
123.04533	3.7
133.02966	1.1
136.01649	0.4
137.02472	0.3
146.04622	1.0
151.04016	1.7
152.01149	15.1
160.35606	0.3
167.03487	29.8
168.03842	1.1
173.04605	0.4
177.01903	0.4
191.05602	2.2
202.15921	0.3
203.89290	0.3
207.54175	0.3
230.99792	0.4
268.07321	0.5
283.09756	0.7
296.06885	3.0
311.09244	3.9
312.09619	0.5
326.11649	4.2
327.12439	0.3
363.99966	0.3
427.08163	0.3
436.08112	0.4
449.14377	0.3
511.12695	40.8
512.12903	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	509.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27999	0.4
55.69057	0.4
59.01381	100.0
60.01718	0.9
63.47979	0.4
71.01392	3.3
73.02944	0.8
74.29395	0.4
77.16535	0.4
85.02968	0.7
89.02451	0.5
90.33554	0.5
98.19906	0.8
101.02469	1.6
113.02470	0.9
149.06102	1.3
161.04573	0.7
173.06166	0.5
222.85197	0.5
228.32634	0.5
229.43959	0.5
261.11102	0.5
279.97678	0.5
494.23346	1.1
509.25812	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	509.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29617	0.3
53.18269	0.2
54.24697	0.2
59.01377	100.0
60.01715	0.9
61.98831	0.5
64.15660	0.3
70.33055	0.9
71.01392	1.2
73.02962	0.4
83.01383	0.3
85.02969	0.7
99.00927	0.4
99.04537	0.5
101.02464	0.9
102.98633	0.4
107.28835	0.3
113.02456	0.6
119.06966	0.3
122.03761	0.7
135.04510	0.5
135.84348	0.3
149.06123	1.0
159.04449	0.3
161.04584	0.9
173.06065	0.3
176.08414	0.3
177.45158	0.3
189.09212	0.5
194.00415	0.4
241.08803	0.4
247.13303	0.3
263.13065	0.5
413.19992	0.9
431.78284	0.3
494.22919	1.4
509.25293	2.0
510.26160	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24953	0.2
52.53329	0.2
52.83749	0.2
53.07756	0.2
55.91481	0.2
59.01375	0.7
60.43546	0.2
61.98830	100.0
71.01381	0.4
71.51259	0.3
76.76668	0.2
79.95728	0.3
80.96581	0.2
89.02467	0.2
96.96020	0.3
102.95159	0.2
113.39659	0.2
191.05696	0.5
216.99094	0.4
274.60333	0.2
347.11386	0.5
510.16556	1.1
511.18497	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66922	0.3
52.83762	0.3
53.05890	0.3
59.01373	1.8
61.98829	100.0
69.58162	0.9
69.58579	1.4
71.01394	0.6
78.91889	1.2
80.91685	2.1
88.60847	0.4
96.96033	0.6
105.20881	0.3
122.03772	0.5
191.05696	0.5
234.00937	0.4
251.07225	0.4
253.94627	0.3
267.16003	0.8
347.09781	0.8
432.23163	0.4
469.79404	0.4
491.50830	0.4
491.58643	0.4
510.15903	1.8
511.18695	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63708	0.5
52.78761	0.5
64.68475	0.7
68.99827	0.7
78.95901	18.5
96.96960	1.8
106.27200	0.5
134.10220	0.5
152.99583	31.8
171.00620	1.7
174.18515	0.5
201.03583	0.6
227.03253	5.0
229.14175	0.6
245.04308	4.6
281.24841	100.0
282.25201	7.3
353.34290	1.2
377.34195	1.0
399.56833	0.6
417.23831	0.6
421.33252	1.4
509.28717	57.5
509.34906	5.5
510.29193	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	509.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33387	1.1
55.01896	1.5
57.03432	1.0
58.00593	1.7
59.01378	100.0
71.01381	30.7
71.52630	1.1
72.99290	1.8
73.02939	13.3
79.95741	1.9
80.96510	4.5
83.01382	6.1
85.02956	7.6
86.43108	1.0
87.00874	2.5
89.02446	26.1
90.10578	1.0
94.98066	1.8
95.01373	2.5
96.96015	9.0
97.02919	1.3
98.95592	9.9
98.96440	2.0
99.00895	2.4
99.04503	5.1
99.92591	2.6
101.02442	25.3
102.98583	2.8
113.02451	12.1
115.92083	3.3
116.92866	27.6
117.92889	1.4
119.03522	11.2
122.97606	1.3
125.02473	1.2
131.03477	1.7
143.03485	2.7
149.04597	1.9
161.04530	4.1
179.05608	4.0
191.05568	1.4
204.65709	1.1
250.00443	1.0
285.18637	3.4
291.31598	1.1
421.26239	1.4
440.50571	1.0
448.12677	1.1
449.25287	2.7
465.24887	77.3
466.25244	7.7
467.26318	6.9
509.16928	7.7
509.23248	1.3
509.27463	1.3
529.09137	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
65.96571	0.5
76.52923	0.4
78.95905	15.3
81.03414	0.7
96.33002	0.5
96.96928	1.2
102.05570	1.9
102.06188	0.4
112.98502	0.6
150.97945	0.5
152.99582	23.4
171.00581	1.6
179.59111	0.5
196.89479	1.1
208.31049	0.5
227.03275	4.6
231.87981	0.5
244.95120	0.6
245.04282	1.3
259.71658	0.6
271.65967	0.7
281.24841	100.0
282.25171	7.4
380.73315	0.6
406.30682	0.8
417.23901	0.8
509.28943	42.0
510.29465	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	508.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
64.33284	0.3
70.67786	0.5
70.68126	0.3
98.86835	0.2
167.85091	0.3
238.31444	0.3
240.47195	0.2
283.15552	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68010	0.2
53.73980	0.2
61.98829	100.0
69.37329	2.1
69.37674	0.3
79.39832	0.2
97.95158	0.3
98.19932	0.5
105.92163	0.2
106.27830	0.2
122.03780	0.2
125.32166	0.2
145.70309	0.2
161.46472	0.3
162.69977	0.3
176.89149	0.3
356.65799	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79541	0.4
57.03442	0.4
59.01375	3.0
59.17590	0.4
61.98826	7.8
62.67738	0.4
63.06462	0.4
66.81670	0.4
71.01392	1.3
71.53550	0.9
79.95743	0.6
83.01381	0.5
85.02952	0.8
88.04041	2.4
96.96014	6.0
99.04528	1.0
101.02435	0.9
101.66129	0.4
102.05607	44.6
103.05939	0.7
104.28059	0.4
113.03554	0.7
114.01967	0.7
114.05622	1.5
115.00398	1.0
122.39120	0.4
128.03539	38.6
129.03838	0.9
131.04593	2.7
132.03021	6.4
137.02493	0.4
145.06241	1.0
146.04593	100.0
147.04929	1.8
149.86197	0.5
179.07205	0.8
191.05611	0.9
211.20235	0.4
245.13965	0.5
286.01288	0.8
287.01657	1.6
302.03860	0.4
315.01273	0.6
329.03040	1.0
330.03275	2.0
331.03806	0.6
345.05835	1.1
346.06329	0.9
377.18146	0.5
508.11215	2.9
508.22717	3.3
509.11621	1.2
509.22510	0.9
509.29230	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	507.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19117	0.8
57.19518	0.8
59.01378	100.0
66.63323	1.0
72.95985	0.9
84.70459	1.1
87.34308	0.8
89.88399	0.9
98.20708	1.7
113.83609	0.8
115.73643	1.0
116.78764	0.9
122.03763	1.5
128.60460	0.9
148.05284	12.6
149.05719	0.9
163.07648	17.0
166.06282	2.3
181.08690	9.3
223.09740	61.6
224.10007	2.3
263.23785	1.5
281.24878	9.6
360.50787	1.0
445.33176	21.1
445.39282	1.4
507.33188	54.7
508.33899	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	508.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.3
61.98829	100.0
71.01380	0.3
79.95754	0.3
96.96003	2.1
98.19891	0.8
101.02435	0.4
102.05618	0.5
120.99673	0.3
128.03542	0.5
145.06160	0.3
146.04626	1.7
164.04805	3.0
165.05159	1.8
179.07129	2.0
180.07481	1.3
191.05663	0.4
244.12878	0.4
257.92160	0.2
422.08609	0.3
464.09735	0.7
465.09128	0.2
465.25546	0.3
508.08453	0.3
508.21732	0.6
520.73059	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53055	0.2
59.01361	1.1
61.10214	0.2
61.98829	100.0
71.01386	0.4
71.52592	0.4
75.88341	0.2
79.95748	0.4
85.02952	0.4
96.95996	1.9
101.02451	0.2
102.05628	0.9
104.80154	0.2
105.94728	0.2
107.82215	0.2
128.03558	0.7
145.06213	0.9
145.71042	0.2
146.04573	1.8
146.06465	0.4
164.04788	1.7
165.05127	1.2
179.07108	1.5
180.07509	0.9
191.05655	0.6
194.04037	0.2
244.12927	0.3
297.16248	0.3
373.17917	0.2
464.09583	0.2
508.08734	0.4
508.21072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17615	1.2
57.03442	1.6
58.99606	1.3
59.01380	17.8
61.98820	4.6
63.52985	1.3
69.25097	5.9
69.25533	5.1
70.28136	1.2
71.01377	3.7
75.71730	1.2
78.95887	3.8
83.05029	3.3
87.00875	36.6
89.02444	3.5
93.03461	1.4
96.96011	2.4
96.96964	2.0
99.04530	3.6
101.02438	1.6
102.98590	8.3
113.02452	1.6
122.03751	2.2
123.08112	1.5
134.03740	1.4
135.04541	7.2
137.09702	1.4
147.04559	2.3
149.06046	6.7
150.06848	4.5
161.06102	1.9
164.04770	1.8
173.04562	1.4
173.05972	2.2
175.07677	6.6
179.07101	2.7
184.90405	1.3
187.07645	1.7
188.08371	5.1
189.09209	3.6
190.09981	27.3
191.10530	1.4
203.10858	1.5
211.13365	19.1
225.93355	1.3
264.13596	5.0
276.13681	6.5
278.15213	6.0
280.11255	1.7
283.11874	5.0
283.20657	1.9
301.21692	1.5
309.18579	4.0
327.19669	10.2
330.18286	1.9
331.19028	1.9
345.20676	22.7
346.21060	3.0
369.81729	1.3
371.22141	3.6
383.22208	2.7
389.23257	4.6
401.23282	4.1
419.24365	100.0
420.24753	8.3
439.91095	1.3
445.26312	2.3
507.25589	6.7
507.35193	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	507.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95280	1.0
70.95634	0.7
78.95903	19.5
81.52537	0.5
96.96969	1.6
115.02281	0.5
135.20009	0.4
152.99582	32.8
153.99911	0.6
155.75359	0.5
171.00626	1.1
209.48926	0.5
227.03308	5.2
227.05472	0.7
245.04382	1.2
279.23279	100.0
280.23636	6.5
415.22690	1.5
507.27240	54.0
508.27563	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	507.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.8
57.36570	0.5
58.00613	1.0
59.01104	1.9
59.01380	39.5
60.01756	0.4
60.79303	0.4
63.96290	0.6
68.99577	2.2
69.03503	1.6
71.01014	1.1
71.01379	22.8
71.52242	0.8
72.99306	2.0
73.02938	2.2
83.00995	0.5
83.01451	1.7
85.02946	5.9
87.00949	1.4
89.02446	19.1
95.01378	2.3
96.96065	1.5
99.00918	0.9
99.04585	0.5
101.02441	15.1
102.02883	0.4
102.05603	3.7
106.11517	0.4
112.98570	2.2
113.02448	10.1
113.48647	0.4
119.03493	5.2
125.47611	0.4
128.03539	4.8
130.08824	0.8
131.03609	0.7
135.04514	0.5
136.71536	0.5
146.04596	10.0
149.04582	1.0
165.12906	0.6
183.13945	1.8
191.05614	0.8
195.13892	14.1
196.14288	0.5
213.14923	4.6
292.20868	0.5
357.19278	0.6
375.20215	100.0
376.20544	7.7
465.26917	1.2
507.24362	39.6
508.24884	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	507.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01728	0.9
61.98830	11.7
70.04041	0.5
71.01377	3.9
71.43030	1.0
73.02963	0.7
78.91909	0.9
78.95898	0.5
79.95750	1.5
80.96539	2.1
83.01429	0.6
85.02972	1.3
89.02473	1.8
96.96030	1.3
97.43325	0.4
99.00935	0.6
101.02445	3.0
113.02476	1.9
118.98120	0.6
119.03535	1.0
122.03746	0.8
149.31248	0.6
151.07599	0.5
158.93660	0.5
161.04568	1.5
164.04814	1.1
173.04550	0.9
179.07085	0.7
227.89192	0.5
229.01756	1.2
230.02588	1.8
243.03322	1.3
243.16005	2.6
250.24501	0.6
267.16055	0.8
344.09332	7.3
387.19934	2.5
405.21271	1.6
429.21371	2.2
447.22415	4.4
507.15250	11.7
508.15500	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91478	0.7
55.43185	0.7
59.01383	35.5
59.46234	0.6
61.98835	7.3
71.01382	12.9
71.51857	0.7
72.99318	1.5
73.02940	0.8
75.00875	1.7
78.95891	0.9
79.95744	14.6
80.96518	15.0
85.02943	3.3
89.02448	12.3
93.03470	0.8
95.01388	0.8
99.00837	0.7
101.02449	7.6
113.02450	5.3
114.78033	0.8
119.03503	5.6
122.03758	5.4
125.35924	0.8
143.03497	0.9
149.06125	1.5
152.79234	0.7
158.23122	0.8
161.04564	1.0
179.05527	1.2
191.05588	1.5
191.10793	2.8
191.61224	0.8
215.00220	1.3
216.00949	0.9
229.01727	14.9
230.02487	11.3
243.03297	11.7
244.03647	0.9
249.14946	2.2
262.01431	4.4
267.15967	7.2
269.16470	0.8
271.02826	1.2
286.05103	3.4
313.07556	2.0
329.06979	0.7
344.09332	71.2
345.09766	6.1
387.20480	2.0
429.21262	49.5
430.21725	5.6
507.15430	100.0
508.15738	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	507.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79612	0.7
57.03428	2.0
59.01377	33.6
62.52967	0.6
67.57157	0.7
69.03447	2.1
69.22762	5.6
71.01357	2.2
73.02948	4.5
73.59921	0.6
85.02953	0.9
89.02427	1.0
96.95992	2.2
99.10077	0.7
101.02425	0.9
101.71710	0.8
102.05585	2.1
128.03517	1.4
129.05606	1.6
131.03500	1.2
139.11290	41.3
140.11601	1.5
146.04572	3.0
149.04541	4.1
163.11238	2.9
165.09206	1.7
166.80249	0.6
181.12329	24.4
183.10249	46.2
184.10623	2.4
191.05612	0.9
199.13374	13.1
200.13641	0.9
207.10417	1.2
225.11298	11.9
243.12352	100.0
244.12675	6.0
326.57376	0.9
356.21625	0.7
357.15506	0.8
375.16565	71.7
376.16885	5.4
377.98917	0.7
465.26657	1.1
489.19958	1.3
507.20850	70.8
507.27747	5.2
508.21271	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	507.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96886	1.2
57.03441	3.6
59.01378	46.4
61.98826	20.6
69.03459	3.1
70.70815	3.5
71.01373	7.5
72.99308	1.4
73.02945	7.4
78.87367	1.3
79.95758	4.8
85.02955	4.9
87.00864	2.8
88.98793	2.2
89.02444	5.1
95.95233	1.8
96.96003	17.9
97.03011	1.6
97.06586	1.4
99.04501	1.5
101.02457	5.2
102.05577	1.3
113.02460	3.7
131.03490	3.1
139.11279	29.9
143.07155	10.5
145.06157	2.7
146.04634	2.5
149.04562	14.3
150.97046	1.5
163.04071	1.3
163.11296	1.5
164.04793	63.7
165.05202	2.3
165.09117	1.6
179.05534	2.9
179.07124	57.4
180.07524	2.0
181.12325	27.8
182.12737	1.6
183.10254	35.0
185.23050	1.4
191.05579	5.1
199.13388	47.9
225.11270	15.7
241.00130	3.5
243.12357	100.0
244.12761	5.4
259.02872	2.2
283.01166	6.4
327.08578	1.6
335.13293	1.8
357.15588	3.2
374.19016	1.6
375.16541	81.6
376.16959	4.9
383.13419	2.3
421.08020	5.9
463.09158	16.3
464.09171	1.9
489.19852	1.5
489.26740	2.3
507.08240	8.1
507.20792	55.1
507.28207	15.1
508.21201	5.2
508.28741	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	507.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45963	0.3
58.99305	0.7
58.99604	14.3
59.01378	5.0
71.01381	1.0
74.99097	2.0
76.23807	0.3
78.95897	1.3
85.02946	0.7
87.00873	0.4
89.02441	0.5
92.59540	0.3
93.03443	0.5
96.96013	8.9
96.96979	1.1
98.19875	0.8
99.04517	27.8
100.04840	0.5
101.02415	0.7
102.98596	100.0
103.98937	1.1
113.02438	0.4
115.02257	0.9
115.92104	0.6
120.99648	6.7
126.98637	0.4
129.01927	0.3
129.07060	0.4
161.04663	0.4
163.00714	5.5
169.10252	1.4
173.04636	0.4
181.10237	0.8
191.05600	1.1
197.09619	0.4
199.11270	2.2
230.09483	0.5
231.10219	2.0
243.10226	4.3
350.39343	0.3
374.60498	0.3
465.25439	0.5
476.53091	0.3
507.16611	0.4
507.25671	1.2
507.34537	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.9
59.01379	11.4
61.80801	0.7
61.98820	1.2
65.03957	1.1
67.01891	1.3
68.99839	1.0
69.03469	3.6
70.83881	2.1
71.01378	2.2
72.99302	15.4
73.02937	5.7
74.02712	0.8
79.05528	1.5
81.03432	1.2
83.05038	1.5
85.02947	1.9
91.05539	1.3
93.03452	2.8
93.07071	1.2
95.05011	3.8
97.02927	3.7
99.04515	100.0
100.04838	2.6
101.02438	1.7
102.98581	4.1
107.05043	6.2
109.02917	1.4
109.06571	2.8
111.04493	1.1
113.02415	1.1
113.06072	0.9
119.04997	1.9
119.08672	0.7
121.02921	1.1
121.06588	2.0
123.04535	4.6
123.08173	1.0
123.16033	0.8
125.02393	0.8
129.07025	0.8
133.06584	2.5
133.10217	0.9
135.04514	2.2
137.06064	1.9
139.04015	1.4
141.07086	0.9
143.08669	0.9
145.06549	1.1
147.04477	1.3
147.08167	1.6
149.06047	3.0
151.03993	6.5
151.07480	0.8
157.06566	2.2
157.10252	1.3
159.04561	1.7
159.08145	2.6
160.05336	1.3
161.06084	2.5
161.09720	2.5
163.07643	1.3
165.05608	1.2
169.10146	1.0
171.08116	3.6
173.06055	2.1
173.09731	1.7
175.07686	1.9
177.09210	2.8
181.05135	0.9
181.10225	1.1
183.08212	1.1
185.09738	6.0
187.07652	3.8
187.11272	3.1
189.09172	2.9
195.08153	0.9
195.11794	2.5
197.06104	1.0
197.09721	3.0
199.07591	3.2
199.11237	1.8
201.09232	1.9
201.12814	1.0
203.07083	1.0
203.10776	1.5
205.08609	1.1
207.10205	0.9
211.07607	1.9
211.11185	4.5
213.05537	0.8
213.09286	7.7
213.12794	9.4
215.07137	4.7
215.10701	2.1
215.14404	2.5
217.12250	1.7
225.12866	1.2
227.10774	2.0
228.07930	0.9
229.08691	2.8
229.12291	4.4
231.10349	4.6
233.08119	0.9
239.10750	5.9
241.12210	2.7
243.10095	1.8
243.13914	1.2
245.11790	1.2
249.11317	1.4
255.10208	4.3
257.08176	1.5
257.11792	7.8
259.06094	5.9
259.13361	8.3
261.11362	1.7
264.93149	0.9
269.11801	2.9
271.13165	0.7
273.11346	12.1
274.11639	0.9
287.12903	6.9
299.09232	0.8
301.10754	3.0
303.12421	2.9
305.13849	8.6
315.12369	1.7
317.10294	6.0
317.13589	1.6
318.10217	0.8
331.11874	7.7
335.14963	2.6
347.11084	1.7
349.12903	33.3
350.13297	2.3
357.16968	2.4
379.13940	16.5
380.14227	1.8
402.61908	0.8
407.13251	1.1
415.17343	1.0
425.45630	0.8
431.16928	2.4
475.15976	2.8
477.17896	1.0
507.18411	19.6
507.24518	2.2
508.18823	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	507.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29898	0.4
59.01379	21.6
61.98829	4.6
65.35944	0.4
69.61475	2.6
71.01377	6.4
73.02927	0.7
75.00871	1.0
77.30325	0.4
78.95948	0.4
79.68224	0.4
79.95731	16.0
80.96513	18.0
83.01392	0.6
85.02945	1.3
89.02450	4.4
96.96017	2.3
101.02437	4.1
113.02431	2.3
119.03485	2.5
122.03746	3.5
143.03513	0.6
149.06140	0.6
161.04533	0.9
167.10693	0.5
176.16484	0.6
181.05011	0.9
191.05537	0.9
191.10828	1.4
201.02260	0.8
201.99384	0.9
211.09756	1.2
215.00166	1.3
216.00822	0.8
228.00871	0.5
229.01723	14.4
230.02507	13.1
243.03302	11.7
244.03667	0.8
249.14893	1.5
257.05002	0.9
262.01477	4.0
267.15994	4.4
271.02744	1.4
276.03036	0.6
286.05127	2.2
287.06039	0.7
313.07654	2.2
313.84290	0.4
327.09302	0.5
329.06766	0.9
344.09311	69.7
345.09698	6.5
387.20172	0.6
405.21027	0.6
429.21246	18.4
430.21606	1.3
447.22311	1.0
507.15387	100.0
508.15695	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	507.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86987	0.6
54.49403	0.6
56.76698	0.5
59.01377	11.1
61.98828	100.0
62.89530	0.5
66.35665	0.5
71.01394	2.3
71.51650	0.7
72.99323	0.7
73.02947	0.6
78.95911	0.9
79.95729	4.2
80.31601	0.6
80.96516	6.1
83.01402	0.5
85.02984	0.6
89.02478	0.6
96.96021	2.6
101.02464	1.5
105.01945	1.1
113.02425	1.1
115.00349	0.6
117.59879	0.6
119.03506	0.6
120.62956	0.5
135.04504	0.7
149.06027	0.7
153.22232	0.6
164.04790	4.2
179.07146	1.5
182.89345	0.5
191.05508	0.8
201.99432	3.4
203.00146	1.8
215.00195	10.1
215.05835	0.7
216.00893	2.2
227.00220	0.7
229.01720	13.1
230.02499	13.2
243.03299	11.3
243.05663	0.8
244.03989	0.8
246.01944	0.6
257.05090	0.7
258.05450	0.8
269.04953	0.9
313.07480	46.8
314.07739	3.1
329.07007	2.0
344.09293	16.5
345.09714	1.4
420.54828	0.6
442.30258	0.6
447.21933	1.0
463.09088	1.0
507.15396	81.7
508.15662	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
59.01376	22.7
61.98837	1.1
70.06807	1.0
71.00997	1.0
71.01369	8.9
72.99301	1.5
73.02943	1.3
73.07346	0.5
73.62988	0.5
78.91880	1.0
79.35727	0.5
79.95735	12.6
80.96519	9.6
82.18178	0.5
83.01389	1.3
85.02948	3.9
87.00874	2.3
88.98805	2.4
90.87141	0.5
93.03477	0.6
94.98065	0.9
95.01382	1.0
96.96010	89.1
97.02954	1.0
99.00868	1.1
101.02444	2.7
110.80788	0.5
113.02457	1.8
122.97583	1.4
125.02415	0.9
137.02512	0.7
137.96265	0.8
138.97067	7.3
145.06171	1.1
149.38084	0.5
150.97038	5.4
163.04019	0.8
164.04788	29.8
164.98582	0.6
165.05170	1.2
166.96556	0.6
179.07138	15.1
180.07413	0.6
180.53427	0.5
180.98109	1.2
191.05518	1.0
201.11868	0.6
222.99153	2.6
241.00229	13.3
242.00560	0.7
258.28641	0.6
266.16898	0.6
283.01282	100.0
284.01492	4.1
375.27408	1.8
387.12799	0.6
421.07959	0.7
447.25461	0.6
463.09235	6.2
506.33911	0.8
507.08063	5.1
507.28058	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72444	0.6
57.48567	0.7
57.95250	0.6
59.01378	4.2
61.98818	0.7
68.99570	100.0
69.43833	4.1
71.01383	2.9
73.02970	0.7
78.71687	0.7
79.95738	0.7
84.51026	0.7
85.02961	1.5
87.00880	2.3
87.57222	0.7
89.02443	1.6
96.96007	13.0
96.96973	1.8
98.20684	0.7
99.04516	0.7
101.02450	2.3
102.98589	1.5
112.98566	95.1
113.02457	1.4
113.98911	0.8
115.92068	1.0
119.03533	0.9
120.92957	0.7
188.08568	0.8
190.10004	1.6
191.05609	2.0
192.05927	0.9
201.05493	0.7
229.08696	1.4
278.15048	1.0
279.10580	0.8
345.20599	1.8
419.24329	7.1
420.24615	0.8
464.52072	0.7
507.35297	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	507.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	1.8
59.01376	7.3
61.98840	3.2
69.03430	4.7
69.33952	13.9
71.01377	8.5
78.95894	4.9
79.01873	1.6
79.95741	3.4
85.02920	3.3
89.02455	3.5
92.62402	1.7
96.96013	100.0
96.96988	6.7
101.02434	6.6
107.01382	4.6
109.08244	1.9
113.02419	1.9
115.92074	5.5
119.03590	2.4
125.02396	4.5
151.00383	5.6
181.03268	2.0
227.06694	2.2
229.08699	1.8
242.05896	6.7
243.06645	4.1
279.10593	19.9
447.12878	8.1
450.72870	1.6
507.25940	3.4
507.35275	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	506.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
61.98829	100.0
74.78960	0.3
78.95900	0.4
122.00455	0.3
122.03724	0.4
229.29355	0.4
283.15701	0.8
284.15894	1.4
422.65433	0.4
443.97122	0.3
507.16034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
61.98829	100.0
74.78960	0.3
78.95900	0.4
122.00455	0.3
122.03724	0.4
229.29355	0.4
283.15701	0.8
284.15894	1.4
422.65433	0.4
443.97122	0.3
507.16034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19847	27.8
59.96459	25.6
61.98819	100.0
77.06285	31.7
94.32940	25.4
98.19932	66.6
119.12237	26.1
127.62487	30.2
141.06929	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.8
61.98810	3.6
69.03451	3.3
71.01402	1.9
71.53245	2.1
78.95881	2.2
80.02599	1.4
93.03463	2.2
95.01402	9.0
95.14156	1.4
114.05607	79.2
115.05955	1.9
119.05055	2.7
129.09113	1.4
140.50340	1.4
140.70209	1.5
145.02928	5.9
146.03294	1.8
178.79584	1.6
185.86818	1.6
200.61502	1.4
226.08492	1.5
249.75438	1.7
251.23796	2.2
293.24814	9.0
329.24771	3.6
347.25900	54.3
348.26181	5.7
379.24844	3.6
388.49738	1.5
391.24869	100.0
392.25250	10.3
394.62494	1.4
506.28287	6.6
507.24194	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	505.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.0
59.01379	14.9
61.98824	3.0
69.03461	2.6
70.78532	0.9
71.01380	17.5
71.52134	1.2
72.99308	5.3
73.02943	1.7
73.72332	0.9
75.00870	14.3
78.02092	0.9
78.95896	7.0
83.01378	2.4
85.02953	23.8
87.00877	7.0
89.02452	4.0
93.03467	1.4
95.01385	7.1
99.00881	12.2
103.00378	3.4
111.00832	2.2
112.01700	1.0
113.02454	31.1
114.02816	1.0
115.00402	2.0
117.01945	2.1
129.01942	1.5
131.03488	1.8
135.36076	1.0
152.99606	7.5
157.01378	2.1
171.90416	0.9
175.02466	3.6
196.06915	0.8
201.85674	0.9
205.07178	2.9
213.74873	1.1
224.03346	1.1
249.06174	15.1
255.23274	94.5
256.23587	6.5
267.07263	8.5
277.21539	1.0
279.23322	5.6
280.23618	10.5
281.24716	1.5
308.26767	1.6
487.29227	2.4
505.30215	100.0
506.30521	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	505.3018
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
50.27675	0.7
51.10812	0.7
51.41336	0.7
55.34773	0.7
57.03454	1.9
59.01384	12.5
62.89107	0.9
68.99817	1.3
69.03427	1.1
69.29225	0.7
70.83232	2.3
71.01384	13.6
72.99301	6.0
73.02946	1.5
73.18853	0.7
75.00871	17.2
85.02948	19.3
87.00873	6.6
89.02452	2.5
93.03417	0.9
95.01397	3.7
99.00890	9.0
103.00396	2.1
107.01499	0.9
109.02948	0.8
113.02459	24.6
113.03254	1.3
115.00368	1.5
117.01936	2.5
129.01903	1.2
157.01460	1.2
175.02457	3.8
177.77995	0.8
179.04710	0.9
192.64713	0.8
231.05235	1.7
249.06136	18.1
255.23294	100.0
256.23648	6.1
256.57599	0.8
267.07196	2.8
314.80411	0.7
388.30734	0.8
389.14209	1.0
425.21289	0.9
487.29227	2.3
505.30185	99.7
506.30389	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	505.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
59.01382	100.0
61.98829	8.6
67.32157	0.9
69.03461	1.1
69.76306	4.7
71.01381	14.9
71.05009	1.8
72.99325	1.5
73.02939	6.1
75.00862	1.6
83.01376	3.1
83.05022	1.3
83.66785	1.1
85.02951	7.8
87.00853	1.7
88.98797	1.2
89.02454	6.8
95.01371	1.5
96.96019	2.1
99.00873	2.6
101.02444	9.3
109.07375	0.9
111.04479	1.8
113.02443	7.6
115.65419	1.0
116.92854	2.1
119.03525	2.0
120.99702	1.2
125.02394	1.2
133.85687	1.0
143.03485	1.9
149.04439	1.2
153.01932	1.2
154.33290	1.0
161.04523	2.4
191.05602	2.2
223.13399	1.2
230.88939	1.0
241.14320	1.0
261.33029	1.0
265.14572	2.0
275.72778	1.0
282.66690	1.2
285.95099	1.1
300.02921	1.8
301.03436	2.1
313.99176	1.2
385.18680	50.5
386.18939	4.8
388.49133	1.3
403.19714	22.6
404.19772	1.9
445.20721	48.7
446.20898	4.1
466.17526	1.1
472.23050	1.0
487.21716	1.2
505.09702	2.4
505.19504	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53433	0.5
59.01369	0.8
59.95630	0.4
69.24773	3.6
69.25192	1.0
74.99531	0.5
78.95901	19.4
92.18268	0.4
96.96944	1.8
98.20681	1.1
99.35281	0.4
152.99579	28.2
153.99925	0.5
163.82350	0.5
171.00612	2.0
189.94766	0.4
227.03297	4.2
233.22745	0.6
238.76378	0.5
245.04355	1.7
256.81058	0.5
259.20700	0.7
272.32138	0.5
277.21701	100.0
278.22086	7.3
399.46402	0.5
413.21329	0.6
505.25702	41.5
506.26035	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	505.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.3
69.38628	2.7
69.39035	1.0
71.01364	0.6
74.20029	0.4
78.95904	27.1
96.96966	2.2
98.19925	0.8
152.99577	40.3
153.99960	0.6
171.00670	1.6
227.03262	6.2
245.04315	1.8
247.35434	0.5
259.20566	0.5
270.16016	0.5
275.20038	0.5
277.21713	100.0
278.22040	7.6
299.81458	0.5
413.20959	1.5
431.21661	0.6
456.15625	0.5
505.25717	62.7
506.26089	6.3
518.21173	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.0
55.89019	0.4
57.03455	1.5
58.00594	0.7
59.01384	19.4
63.44055	0.4
69.03470	1.9
69.16996	4.4
71.01384	17.7
72.99316	1.5
73.02945	7.4
80.50639	0.5
83.01386	5.2
85.02952	9.8
85.03464	0.5
86.00123	1.8
86.46978	0.4
87.00877	2.0
89.02434	5.7
89.02930	0.4
95.01403	2.1
99.00883	2.0
99.52324	0.5
101.02443	18.7
110.23574	0.4
111.00871	0.8
113.02451	6.2
119.03498	1.4
120.99677	0.7
122.99242	0.6
129.01936	0.5
131.03563	1.1
131.92909	0.4
161.04445	0.6
193.12379	1.0
211.13382	2.0
306.33936	0.4
373.18658	100.0
374.19019	8.4
414.59692	0.5
477.98642	0.4
505.22888	29.3
506.23221	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	504.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.7
60.01721	0.6
61.98829	100.0
71.01389	0.8
71.29726	0.7
74.02489	0.5
79.22940	0.4
92.55956	0.5
94.98110	1.1
96.96033	1.2
101.02438	0.9
191.05655	0.6
239.98271	0.5
505.52109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
56.03463	0.3
57.03437	0.3
57.11245	0.3
59.01379	5.5
69.33129	2.5
71.01385	3.0
73.02939	1.1
74.02477	2.0
80.74763	0.3
82.05209	0.3
83.01367	0.4
85.02954	1.9
93.03458	5.2
94.03809	0.3
95.01407	1.7
98.20647	0.7
101.02433	1.7
102.06836	0.4
104.58388	0.4
107.01390	0.5
111.00871	0.4
113.02470	1.3
119.05020	13.2
120.05368	0.6
120.99699	0.6
123.00885	7.2
126.90409	1.1
128.90187	0.5
137.02420	3.8
137.99565	0.5
139.00377	1.3
145.06172	0.9
149.99588	2.0
151.00368	5.1
151.04031	0.6
153.01959	0.8
161.04474	0.5
164.01074	0.5
165.01927	53.2
166.02336	1.8
169.01483	0.4
173.04568	0.6
177.02007	1.0
180.04280	49.0
181.04601	2.1
191.05574	1.0
192.04315	0.5
195.06618	100.0
196.06946	4.7
207.06578	0.6
215.06793	0.4
228.93327	0.4
243.06641	0.7
270.02264	0.5
270.05142	0.8
271.06143	3.8
285.07700	2.8
286.08298	0.8
301.10794	46.8
302.11130	3.9
373.25977	3.8
415.10342	0.5
445.15012	4.3
446.15356	0.7
475.12515	2.0
505.16946	2.9
505.28378	1.4
505.34976	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	503.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37303	1.8
57.03444	21.0
61.98815	1.8
78.95903	2.3
99.04522	100.0
100.04850	3.0
115.22390	1.5
118.72047	1.5
135.88681	1.7
143.09720	3.2
143.10777	40.7
145.06583	6.6
157.05373	2.8
157.06583	27.8
173.09676	11.3
173.67879	1.6
197.09758	3.1
201.05707	1.6
215.07246	1.7
215.10779	19.5
217.08699	2.4
259.09708	26.1
260.10126	2.0
311.75992	1.8
336.19446	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	504.136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
58.48148	0.7
59.01379	5.5
59.06638	0.9
61.98830	100.0
70.47453	1.8
70.47856	1.6
71.01377	7.3
73.02937	1.3
85.02944	4.7
95.01352	1.0
99.00870	0.9
101.02439	2.4
113.02440	5.9
114.82722	0.7
116.75788	0.7
117.08380	0.7
118.20684	0.7
120.99670	1.6
122.27778	0.8
122.99220	2.5
135.04596	1.7
158.68971	0.8
161.04674	1.3
163.04007	19.1
178.06339	19.6
193.08694	35.0
194.09009	1.8
239.05379	0.8
341.30508	0.8
361.29898	1.5
369.48560	0.9
452.90384	0.8
505.26688	1.5
505.33810	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	503.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92717	3.0
57.03444	3.3
59.01377	100.0
61.98822	4.1
66.05629	2.3
69.53224	15.2
69.53642	5.6
71.01389	28.0
73.02948	5.9
77.04734	2.6
81.03436	4.8
83.01382	5.9
83.05025	8.0
85.02950	19.9
87.00864	3.0
89.02438	11.4
93.03471	3.8
95.01385	5.8
99.00848	4.0
99.04546	2.9
101.02446	18.8
102.98580	3.3
113.02459	22.6
120.99648	41.2
122.00016	5.5
122.99242	32.0
123.00069	5.2
125.02525	5.4
129.88173	3.1
161.04584	4.9
171.13956	3.2
175.62894	2.6
183.42297	2.7
187.02477	2.8
188.09392	3.2
191.05574	3.9
234.05844	2.6
241.77322	2.9
266.51086	2.7
267.07114	4.8
278.62003	2.7
289.69275	2.6
359.28070	9.3
371.24301	5.0
399.23880	8.1
417.24866	8.7
451.03998	3.2
461.60922	2.7
503.19601	8.6
503.26758	11.0
503.33209	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	503.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34481	1.8
57.03443	5.0
59.01377	78.0
60.01713	5.8
61.01796	2.8
65.63074	1.9
69.03448	2.8
69.33086	18.3
69.33412	4.4
71.01383	29.2
72.01723	4.0
72.99313	3.6
73.02937	6.0
75.00864	11.3
83.01357	2.4
85.02956	26.2
86.03281	3.0
87.00883	7.6
89.02434	11.0
93.03438	2.3
95.01401	6.5
95.04981	2.7
99.00883	10.0
99.04508	6.1
101.02444	6.5
111.21367	1.9
113.02436	28.2
114.02736	4.0
115.02862	2.9
120.99654	51.7
121.99973	4.2
122.99236	22.3
125.02431	4.2
134.03726	2.4
136.83708	2.0
187.02525	2.5
189.12901	3.9
190.13158	2.5
191.05615	2.8
207.13928	2.7
249.06136	7.1
250.06529	6.2
251.06555	6.9
251.12833	5.0
253.13286	3.2
267.07211	9.3
268.07538	12.6
269.07690	16.8
359.28036	7.3
399.23874	6.9
417.24899	2.8
485.18979	3.9
503.20361	100.0
503.31458	15.6
504.20694	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.4
59.01376	13.6
60.24039	0.8
61.98813	0.9
69.61469	4.6
69.61874	2.2
71.01385	5.3
71.05026	0.9
73.02932	1.8
85.02950	4.3
87.00870	1.0
89.02432	1.4
90.46953	0.8
95.01412	1.2
98.20650	1.0
99.04497	1.8
101.02443	3.6
107.53793	1.1
113.02436	4.5
120.99655	82.4
122.00049	16.0
122.99247	100.0
123.00071	15.2
123.99545	1.1
125.02449	3.0
137.53014	0.9
161.04509	1.3
187.02463	2.3
187.78795	1.0
209.58917	1.0
246.90138	1.0
329.13095	1.0
340.18295	0.9
359.27963	1.9
399.23718	1.8
465.70035	1.0
503.18210	5.0
503.32175	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	503.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.4
59.01376	13.6
60.24039	0.8
61.98813	0.9
69.61469	4.6
69.61874	2.2
71.01385	5.3
71.05026	0.9
73.02932	1.8
85.02950	4.3
87.00870	1.0
89.02432	1.4
90.46953	0.8
95.01412	1.2
98.20650	1.0
99.04497	1.8
101.02443	3.6
107.53793	1.1
113.02436	4.5
120.99655	82.4
122.00049	16.0
122.99247	100.0
123.00071	15.2
123.99545	1.1
125.02449	3.0
137.53014	0.9
161.04509	1.3
187.02463	2.3
187.78795	1.0
209.58917	1.0
246.90138	1.0
329.13095	1.0
340.18295	0.9
359.27963	1.9
399.23718	1.8
465.70035	1.0
503.18210	5.0
503.32175	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	503.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83249	1.4
59.01381	96.1
60.01719	2.5
66.31352	1.4
67.28910	1.6
69.20505	15.7
71.01378	6.9
81.02083	1.5
83.01364	1.9
85.02948	2.0
89.02438	4.0
95.01324	1.6
98.20595	3.8
99.04520	1.6
101.02445	5.8
109.05328	1.7
113.02420	3.3
117.03464	8.0
120.99624	1.4
122.99215	2.7
124.56946	1.4
135.00810	2.1
149.44458	1.6
153.04445	1.3
163.00372	9.9
163.89745	1.7
178.99860	2.0
183.04477	4.8
191.05544	2.2
211.03954	2.3
227.03415	4.2
255.02997	42.6
256.03342	3.8
269.04559	5.3
283.02487	77.8
284.03085	16.0
285.04025	9.0
297.04065	15.7
298.04730	8.2
299.05588	4.1
325.53088	1.7
360.14639	1.8
417.21243	2.8
441.21054	2.1
459.22379	44.2
460.22800	5.6
488.09900	8.9
503.11942	100.0
504.12448	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	503.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
65.62115	4.6
69.69827	9.3
69.70238	17.8
71.01386	12.8
85.02939	6.4
107.67337	4.9
113.02467	8.6
120.99656	51.2
121.99910	9.4
122.99248	52.9
123.00066	10.8
128.03545	5.9
153.68350	4.7
161.04550	6.2
164.04756	5.8
329.87009	4.8
340.39160	5.0
399.23807	12.9
417.24802	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	503.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.9
57.03448	4.6
58.00576	1.6
59.01379	29.6
67.01890	1.4
69.03459	1.6
69.77863	3.6
69.78254	1.6
71.01383	33.1
71.05033	1.7
72.99316	5.9
73.02939	3.0
75.00874	17.1
83.05033	1.4
85.02953	37.6
85.03473	1.8
87.00877	12.9
89.02451	10.6
91.04014	0.8
91.05556	1.1
95.01392	7.6
96.96027	1.3
98.20615	1.5
99.00880	12.0
101.02438	2.6
101.06084	1.5
103.00365	3.0
111.00869	1.2
113.02451	51.1
114.02795	0.9
115.00452	1.7
117.01944	3.3
120.01276	1.7
120.99676	1.7
129.01932	1.7
131.03467	1.4
151.54837	0.9
157.01527	1.2
161.13350	2.8
164.04723	0.9
175.02463	3.1
179.14360	1.4
179.98856	4.3
180.99634	2.1
191.05634	1.9
195.01180	8.2
196.02013	1.2
205.07187	2.1
207.05037	2.2
210.03471	5.1
231.05145	0.9
249.06122	11.9
253.14435	3.3
255.02815	0.9
267.07202	100.0
268.07596	2.4
270.01285	0.8
299.78046	0.8
326.11609	1.9
327.12454	1.4
341.13943	1.0
373.09589	9.3
459.55020	0.9
485.20526	1.0
503.21307	89.9
504.21548	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	503.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.0
57.03444	2.8
59.01376	18.5
65.62573	0.8
68.99809	2.8
69.03437	2.3
69.21192	1.3
69.21603	9.2
71.01381	22.9
71.05002	2.2
72.99306	5.0
73.02920	1.7
75.00868	16.3
77.09437	1.0
83.01398	1.2
83.05010	1.3
85.02949	24.9
87.00872	8.1
89.02458	7.0
91.05538	2.1
95.01414	4.9
96.95997	2.0
99.00887	10.0
101.02467	1.2
101.06078	2.2
103.00381	2.9
106.73061	0.9
113.02448	32.0
113.67300	1.1
115.00340	1.7
117.01926	2.8
129.01915	1.5
131.03519	1.1
149.04486	1.0
157.01384	1.4
161.13329	6.8
163.04816	1.1
175.02458	2.6
177.46089	1.0
179.14389	3.2
190.81856	1.0
205.07126	3.1
209.15445	1.6
223.08485	1.4
231.05115	1.6
244.95227	1.0
249.06152	20.1
253.14398	5.2
255.85684	1.0
267.07199	59.9
268.07648	2.4
465.80533	1.0
485.20361	1.5
503.21353	100.0
504.21576	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	503.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45075	0.6
55.01846	0.8
55.49968	0.5
57.03443	3.7
58.00593	0.9
59.01379	18.4
67.01892	0.8
68.99817	1.4
69.03447	0.8
69.21923	5.9
71.01380	24.1
71.01781	1.2
71.05020	5.5
72.01697	0.7
72.99302	5.4
73.02943	1.8
74.99085	1.9
75.00872	17.8
81.03451	0.7
83.01405	1.0
83.05017	1.1
83.63790	0.5
83.98313	0.6
85.02953	25.4
87.00870	7.7
89.02448	6.8
91.04021	0.8
92.20643	0.6
93.03466	0.8
95.01390	5.6
97.02899	0.9
99.00877	8.6
99.04540	3.0
101.02434	1.8
103.00370	2.0
111.00851	1.1
113.02452	31.0
114.02798	1.1
115.00340	1.7
117.01920	2.8
120.99648	0.6
129.01907	2.1
131.03551	1.3
136.99117	1.8
149.04460	0.8
157.01366	0.8
159.83754	0.7
161.13354	16.1
162.13673	0.9
163.11282	1.0
164.04779	1.6
175.02512	3.2
179.07112	1.7
179.14365	1.7
187.66638	0.6
205.07140	2.0
207.05075	1.5
231.05025	1.5
249.06136	23.2
250.06403	0.7
253.14403	5.2
267.07196	61.3
268.07520	2.4
280.67560	0.7
331.47168	0.6
331.85507	0.7
422.65918	0.7
443.18945	0.7
485.20428	1.1
503.21344	100.0
504.21716	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	503.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69639	0.2
59.01369	2.1
61.16142	0.2
65.47116	0.2
69.27819	0.3
69.92258	0.6
69.92663	0.6
71.01380	0.2
99.04535	0.2
120.99651	100.0
122.00025	1.3
145.67645	0.2
215.00710	0.2
234.37801	0.2
433.25534	0.3
439.44379	0.3
503.19485	3.2
504.19641	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15748	2.1
59.01075	4.9
59.01377	100.0
59.78810	2.0
60.70186	2.1
61.98818	4.6
64.25718	2.3
64.49673	2.2
66.75068	2.2
71.01360	8.5
83.01369	2.7
85.02930	4.7
89.02414	4.0
101.02435	5.1
116.86184	2.4
122.03738	39.0
135.04514	2.7
149.06070	5.7
151.07602	2.5
151.80190	2.2
154.05830	1.9
161.04533	2.5
168.57764	2.0
179.10750	3.1
191.10825	2.7
248.14087	10.0
249.14886	5.5
265.14346	2.5
266.15088	5.9
267.16000	5.8
304.09573	2.3
381.22693	5.4
503.21658	3.4
503.34100	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	18.1
61.98824	6.1
70.79546	2.6
71.01385	10.8
72.99313	4.1
73.02943	3.2
75.00873	100.0
83.01392	2.3
83.05021	1.6
85.02953	2.3
87.00860	1.2
89.02451	4.0
96.96027	8.5
97.32487	1.0
98.20699	1.1
101.02436	4.7
101.24617	1.1
102.98599	4.0
113.02436	2.2
115.00320	1.7
119.03458	1.3
129.73462	1.1
134.03716	3.2
138.79572	1.2
143.03508	1.2
145.06236	1.5
149.06093	3.7
150.61032	1.1
157.71408	1.3
160.05305	1.4
161.04539	2.8
176.08417	18.0
177.09076	1.5
179.98874	1.5
180.99690	1.3
191.05638	1.8
191.10777	8.8
195.01180	2.9
201.88174	1.0
210.03618	1.6
253.98151	1.2
265.14438	24.8
286.99432	1.1
316.99774	1.1
329.14053	2.2
373.09525	5.0
387.20261	2.4
485.11890	1.2
503.11588	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	503.1614
Annotation	fagopyritol A2
Peak:m/z	Relative Intensity
55.01865	2.1
56.01760	1.0
57.03429	1.5
58.00581	4.6
59.01380	98.1
60.01690	1.8
62.32541	1.1
69.03455	1.5
71.01381	91.1
71.50931	1.5
71.51323	1.4
72.99298	4.6
73.02943	7.4
75.00848	1.6
83.01386	5.3
85.02953	21.6
87.00869	22.0
89.02446	100.0
90.02799	1.3
95.01401	6.6
97.02941	4.0
99.00897	1.7
101.02444	66.0
111.00860	1.9
113.02452	49.6
114.02769	1.6
115.00324	1.1
116.07150	1.1
119.03516	22.7
123.03305	1.2
125.02446	3.9
129.01883	1.2
131.03496	6.5
143.03502	11.9
145.06157	1.6
149.04558	3.8
161.04556	25.2
168.06548	1.3
179.05615	97.8
180.05966	3.0
221.06654	44.8
222.06914	2.3
263.07724	1.9
281.08780	4.0
284.46100	1.1
323.09821	14.6
341.10965	6.8
342.11514	1.4
503.16187	67.2
504.16266	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	503.1771
Annotation	Coniferinoside
Peak:m/z	Relative Intensity
57.03443	0.6
59.01378	5.1
61.98811	0.8
69.23168	0.3
71.01376	2.3
72.01778	0.4
75.00874	0.8
81.95824	0.3
85.02943	0.7
89.02430	1.4
96.96008	2.3
98.20779	0.8
101.02428	0.9
113.02435	0.8
115.00369	2.7
115.03947	0.4
119.03486	0.5
128.33118	0.3
133.95078	0.4
134.03714	1.0
137.02455	1.0
149.06013	0.6
161.04633	0.7
163.03989	1.0
164.04790	90.0
165.05104	2.9
171.10233	0.4
179.07133	100.0
180.07494	4.4
267.07135	0.4
280.27609	0.4
281.13947	0.5
341.12393	22.1
342.12784	1.3
373.09766	0.5
453.15533	0.7
503.12509	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35930	0.1
59.01374	1.1
61.98829	0.2
71.01385	0.3
78.95902	7.3
81.06153	0.1
83.05029	0.3
85.64872	0.1
96.96976	0.1
98.19891	0.2
127.07626	0.2
128.58540	0.1
141.09245	0.1
152.99596	0.8
168.04298	2.0
182.45268	0.1
205.19508	0.1
224.06914	1.2
233.22707	0.4
242.07980	3.3
259.20605	0.4
269.24631	0.1
275.19940	0.4
277.21701	100.0
278.22046	8.0
278.25412	0.1
307.87570	0.1
403.70636	0.1
502.29349	7.1
503.29770	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10873	0.1
52.72459	0.1
59.01377	1.0
61.98827	0.2
62.96396	0.2
63.45616	0.1
69.97911	0.1
69.98321	0.2
71.01387	0.3
72.19739	0.1
78.95901	27.4
82.73708	0.1
83.05025	0.2
92.80249	0.1
96.96980	0.3
104.91343	0.1
104.97446	0.1
122.98543	0.2
127.07645	0.3
134.98515	0.2
141.09230	0.1
152.99583	3.1
153.99893	0.1
157.66534	0.1
168.04303	4.0
169.04584	0.1
171.00618	0.1
194.05855	0.2
205.19627	0.2
224.06915	11.6
225.07243	0.3
233.22781	0.3
237.54414	0.1
242.07970	2.8
243.08253	0.1
259.20572	0.4
275.20035	0.5
276.20615	0.1
277.21698	100.0
278.22037	8.2
413.20868	0.1
424.62830	0.1
502.29376	22.4
503.29776	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	503.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.0
71.01382	5.8
71.52260	0.4
73.02949	0.5
74.99086	0.6
75.00879	0.3
85.02958	1.5
87.00879	0.9
87.84323	0.3
89.02438	1.7
89.41536	0.3
92.42909	0.3
95.01411	0.4
99.00880	0.9
99.04523	0.4
101.02451	2.8
102.98600	2.2
105.03466	0.9
109.01215	0.3
113.02444	3.0
119.03526	0.9
119.05035	0.4
120.99654	1.0
125.02470	0.4
137.02473	0.7
139.02208	0.8
139.99358	0.9
143.03516	1.0
147.04465	0.6
149.97098	0.4
151.02238	2.2
154.98097	2.3
161.02452	6.6
161.04549	2.3
161.05832	0.5
161.13362	0.4
162.03197	1.5
163.00700	0.8
163.03979	1.9
164.04788	83.3
165.05118	3.0
167.01744	0.7
170.00414	5.2
177.00128	1.3
177.05571	4.4
178.01035	0.4
178.98108	0.7
179.01776	4.1
179.07132	100.0
179.98854	12.8
180.07449	4.8
180.99644	27.5
181.03223	4.9
181.99936	1.0
194.00418	5.5
195.01205	28.0
196.01978	45.4
197.02327	2.1
209.00737	0.7
209.02756	11.1
210.03453	2.5
211.04329	62.8
212.04669	2.9
237.05922	1.2
253.05344	0.7
267.07056	0.5
281.04874	1.9
323.09766	3.4
341.07019	2.2
341.12372	23.6
342.12589	2.0
358.07306	4.0
373.09589	28.8
374.10016	2.2
443.09900	0.5
503.11691	0.7
503.18274	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	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01723	0.9
70.82845	1.0
71.01384	0.7
73.19963	0.4
77.58766	0.4
88.98827	0.7
99.04507	1.0
101.02435	0.5
110.06599	0.4
116.92869	3.3
148.88336	0.4
399.24088	0.6
435.79919	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95821	0.7
65.61608	0.6
70.16348	2.3
70.16756	1.2
98.06692	0.7
101.49010	0.8
122.89782	0.7
125.86404	0.7
137.07376	0.7
149.09721	27.4
150.09988	0.8
163.11282	100.0
164.11618	3.8
217.68661	0.8
325.21710	25.4
326.22061	2.7
337.21667	11.3
338.22012	1.2
501.33740	80.5
502.33969	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	502.266
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22185	0.9
61.98829	100.0
71.52690	1.6
78.95909	4.1
91.36621	0.9
131.59286	1.1
141.23734	1.0
152.99562	3.0
196.03923	1.3
198.48695	0.9
277.21738	4.2
305.24811	9.6
502.29755	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
78.01668	1.3
78.95882	6.5
81.20284	1.3
84.73190	1.3
123.38007	1.2
123.78640	1.2
136.28749	1.1
152.99545	6.9
181.33058	1.2
231.75356	1.3
277.21692	18.6
502.25757	9.9
502.32587	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	501.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01721	2.5
62.90431	1.7
69.46477	14.4
71.01375	13.2
72.17091	1.6
73.02946	4.5
74.99090	4.1
85.02953	7.7
87.00890	4.4
89.02453	7.6
98.78907	1.9
99.04559	2.6
101.02431	7.8
113.02461	9.7
119.03487	2.2
120.99645	17.9
121.96358	1.7
122.99238	4.4
125.02482	2.1
129.75862	1.9
136.99142	3.2
163.11217	2.2
174.99869	1.7
249.06268	4.1
311.56613	2.3
332.26395	2.1
369.22821	4.2
397.22202	4.4
415.23184	3.1
420.76346	2.3
501.19888	9.3
501.26337	3.2
525.96295	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	501.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.1
57.03433	2.8
59.01378	100.0
60.01712	1.5
61.98842	1.7
65.26230	1.1
67.01881	2.8
68.99840	1.6
70.30500	4.2
71.01376	16.7
72.99315	1.3
74.62415	1.1
83.04977	1.5
85.02947	20.4
87.00867	6.1
89.02426	1.6
91.04010	1.1
95.01382	4.6
99.04523	4.4
103.00395	1.2
108.44349	1.1
110.17226	1.1
111.00871	2.8
113.02449	30.2
115.92046	1.8
116.92843	6.6
120.84709	1.2
120.99666	7.8
122.99236	4.6
129.01984	1.6
138.05342	1.3
157.01395	1.3
161.13380	1.8
163.14928	14.1
205.07146	9.3
219.13892	1.7
237.09851	1.3
237.14946	23.5
249.06122	3.4
263.07675	14.1
281.08759	35.1
290.63388	1.1
341.75409	1.1
386.69031	1.3
501.23441	55.3
501.30652	3.0
502.23859	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	501.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61673	0.5
59.01378	100.0
71.01385	0.8
75.52354	0.5
76.70843	0.5
89.20970	0.5
89.33052	0.6
99.04561	1.2
115.92029	0.6
116.92849	3.3
120.99654	27.5
122.00032	4.7
122.99246	34.7
123.00089	5.6
222.18027	0.5
229.07027	0.6
501.16779	6.7
501.24023	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50785	0.5
59.01378	100.0
60.01710	1.0
61.98817	0.6
67.48631	0.5
69.50748	3.9
71.01401	1.0
81.86137	0.5
89.41386	0.5
98.19921	1.0
99.04506	0.8
101.02444	1.2
115.73734	0.6
132.45216	0.5
141.81073	0.5
168.90840	0.6
192.54805	0.5
214.20486	0.5
224.31328	0.7
399.23941	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.4
71.01375	2.5
71.32990	0.7
71.52657	0.9
72.99324	1.4
74.02522	0.7
75.00882	1.1
75.50597	0.6
79.88844	0.6
80.00011	0.7
85.02955	2.3
86.18871	0.6
87.04523	1.1
92.09027	0.7
93.03445	1.0
96.96013	6.2
101.02422	0.8
104.03542	1.0
108.02176	7.1
113.02468	1.5
119.03541	0.8
122.03738	48.1
123.04485	3.5
124.05334	1.6
128.96732	0.7
135.04509	1.0
135.55554	0.6
139.07689	0.8
146.04593	0.7
148.05249	0.8
149.06081	8.1
150.06413	0.7
151.03983	0.7
151.07614	2.8
152.01138	15.3
153.09241	1.3
161.09700	1.0
163.07663	1.3
167.03494	28.2
168.03876	1.1
173.04616	0.9
177.01894	0.7
179.10796	2.5
183.24896	0.6
191.05609	1.9
191.10786	6.3
206.08173	1.0
249.14867	1.5
252.13626	1.6
265.14410	4.3
266.15210	9.2
267.16000	100.0
268.16370	7.8
279.12405	6.3
280.53989	0.6
327.11063	0.8
429.21194	6.0
450.39380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.6
59.01385	4.1
61.98859	0.5
69.58338	2.8
71.01372	2.3
73.02933	0.7
75.00849	0.5
77.98891	0.5
83.05019	0.5
85.02949	2.6
87.04503	0.9
96.96022	3.8
101.02431	1.0
101.06095	0.6
104.03519	0.7
108.02174	3.5
113.02428	0.8
122.03741	45.4
123.04491	1.8
124.05287	1.1
128.03513	0.7
134.03703	0.8
135.04529	0.8
139.07578	0.5
147.04628	0.6
149.02611	0.5
149.06075	6.5
150.06703	0.5
151.07651	3.4
152.01154	10.0
153.09183	1.5
161.04619	0.7
161.09666	0.5
163.07588	0.7
163.11169	0.6
164.07011	0.5
167.03488	17.2
168.03792	0.8
179.10797	2.7
191.05562	1.4
191.10785	6.1
206.08218	1.5
231.13997	0.6
249.14963	2.4
251.12854	0.9
252.13635	0.6
265.14407	3.7
266.15207	10.0
267.15997	100.0
268.16357	6.6
279.12384	3.1
327.04642	0.5
390.57425	0.5
429.21277	6.8
501.16464	1.0
515.88428	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27372	0.4
57.03433	1.8
59.01377	22.2
67.01896	0.5
68.99833	0.6
69.03431	0.6
69.39122	3.4
71.01382	17.2
72.99307	3.6
73.02940	1.1
74.99121	0.5
75.00873	9.4
80.02672	2.4
83.01412	0.7
83.05001	0.5
85.02949	19.5
87.00866	6.9
87.48448	0.4
89.02448	5.4
91.04036	0.8
93.32697	0.4
95.01379	4.2
99.00887	5.4
99.04517	5.7
99.92599	1.5
100.48372	0.4
101.02426	1.1
103.00371	1.8
105.01941	3.9
111.82215	0.4
112.01641	0.7
113.02449	23.3
114.02702	0.7
115.00360	1.3
115.74971	0.4
115.92059	2.0
116.92844	0.8
117.01924	1.2
118.98055	0.5
119.03493	0.5
120.99651	100.0
121.99961	0.9
122.99238	1.4
125.02447	0.7
129.01939	1.2
129.82594	0.4
131.03455	0.5
157.01405	1.1
175.02426	1.9
183.01109	0.4
189.12843	6.5
191.05505	0.6
205.07178	1.0
207.13853	3.0
208.14169	0.6
219.10104	0.6
222.15143	0.6
228.08412	0.5
233.11800	2.2
249.06146	6.1
251.12921	2.6
267.07193	45.0
268.07507	2.0
269.07648	1.5
281.12207	1.1
307.06348	1.3
324.13934	0.5
325.16537	2.1
351.05597	0.8
369.13666	1.3
439.19833	1.9
457.19995	1.3
474.68768	0.6
483.18484	1.4
501.19720	57.5
502.20065	7.0
502.26944	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.6
59.01377	49.7
60.01722	0.6
60.92688	0.5
67.01888	0.6
68.99825	1.4
69.03444	1.7
71.01378	21.0
72.99309	4.7
73.02934	1.5
75.00870	15.2
80.02666	1.7
81.03438	0.7
83.01414	0.8
84.02200	0.6
85.02949	20.4
87.00869	8.6
89.02444	5.3
91.03999	0.6
95.01389	5.2
98.19701	0.4
99.00880	9.9
99.04511	3.6
101.02436	1.1
103.00385	2.2
107.86533	0.6
111.00886	1.2
113.02446	26.9
115.00349	1.4
117.01943	2.5
120.99654	20.5
121.06588	2.2
129.01947	1.7
142.13312	0.5
157.01373	1.8
162.64154	0.6
167.10010	0.6
175.02501	2.8
177.70152	0.7
189.04059	0.7
189.12817	7.9
205.07123	0.9
207.05090	0.9
207.13895	6.3
231.05144	1.0
233.11978	1.0
245.36588	0.6
249.06143	16.5
250.06622	0.7
251.12856	8.1
252.13255	0.7
267.07190	45.3
268.07584	1.9
313.71735	0.6
325.16476	4.3
439.19565	1.0
483.18738	3.0
501.19757	100.0
502.20135	12.8
508.68253	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03452	3.5
58.00588	0.9
59.01379	20.5
65.03546	0.6
67.01870	0.7
68.99818	1.9
69.03448	1.3
69.27489	5.6
71.01378	22.6
72.99312	5.4
73.02950	1.4
75.00865	15.7
80.02676	4.2
81.03442	1.0
83.01376	0.9
85.02950	22.7
87.00875	8.0
89.02442	5.8
89.61880	0.6
91.04012	0.9
93.03432	0.8
95.01383	5.4
95.05038	0.6
98.19852	1.1
99.00883	9.0
99.04527	5.9
101.02404	0.7
103.00365	2.7
111.00885	1.0
112.01630	0.9
113.02448	28.0
114.02784	0.6
115.00372	1.9
117.01958	2.8
120.99654	53.8
121.06569	1.9
121.99945	1.1
122.72894	0.7
129.01942	1.1
131.03505	0.9
149.04594	1.2
157.01433	1.9
175.02490	3.1
189.12848	13.5
190.13184	0.7
205.07205	1.3
207.05107	0.9
207.13919	7.9
215.80789	0.6
233.11798	4.2
249.06148	19.7
250.06470	1.3
251.12845	6.8
255.16309	0.6
267.07193	49.7
268.07538	2.4
325.16486	4.4
439.19666	4.3
457.20538	0.9
483.18552	3.1
501.19742	100.0
502.20135	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
57.03453	2.5
59.01379	24.5
65.34206	0.4
67.01868	0.5
67.85800	0.4
69.03450	1.0
69.38000	3.3
71.01379	17.4
71.87938	0.4
72.99303	3.6
73.02943	1.1
74.99108	0.4
75.00869	11.0
80.02679	1.9
83.01385	0.9
85.02948	19.4
87.00876	7.0
89.02442	5.3
91.04038	0.6
95.01382	4.3
98.19877	0.5
99.00875	6.3
99.04530	4.1
99.92587	1.7
101.02425	1.2
103.00368	1.6
105.01935	3.6
113.02442	24.7
114.02730	0.4
115.00391	0.8
115.92081	2.6
116.92860	1.0
117.01940	1.3
119.03483	0.7
120.99651	100.0
121.99982	1.7
122.99240	1.5
125.02419	0.6
129.01964	1.4
131.03520	0.9
157.01385	0.7
175.02451	1.7
176.46059	0.5
189.12823	6.4
191.05693	0.5
205.07184	0.8
207.05179	1.0
207.13881	4.4
219.10257	0.5
223.08266	0.7
233.11859	1.7
247.13353	0.5
249.06088	6.0
250.06427	0.6
251.12833	3.0
261.18881	0.5
267.07190	47.6
268.07504	2.2
269.07599	0.9
281.12158	1.0
307.06427	1.1
325.16431	2.1
351.05609	1.0
369.13797	1.2
439.19672	2.1
457.20374	0.7
474.09579	0.4
483.18265	2.1
501.19705	56.6
502.19760	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	501.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47697	0.3
59.01382	2.0
63.34194	0.3
72.01746	0.3
99.04529	1.0
120.99649	100.0
122.00000	1.0
211.38170	0.3
221.47359	0.4
229.76517	0.3
257.31149	0.3
338.78079	0.3
501.18097	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.4
69.52006	0.5
69.52419	0.9
71.01384	0.6
75.00884	0.2
84.95670	0.2
85.02950	0.5
86.05016	0.2
87.00839	0.2
87.05309	0.2
89.02465	0.2
91.10638	0.2
98.19949	0.4
99.00898	0.3
99.04513	0.4
113.02452	0.6
120.99654	100.0
122.00031	1.1
132.09735	0.2
193.67581	0.2
249.06175	0.4
251.12851	0.2
265.34589	0.2
267.07181	1.4
383.75394	0.2
501.18637	3.8
502.19211	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03818	0.3
51.23519	0.3
57.03449	0.5
59.01376	1.9
71.01392	0.9
71.29205	0.6
72.99317	0.4
75.00894	0.6
80.02655	0.3
81.03493	0.4
85.02950	0.9
87.00868	0.4
89.02420	0.3
99.00874	0.5
99.04528	2.9
100.67028	0.3
102.98573	0.4
106.70338	0.3
113.02427	1.5
120.99657	100.0
121.99995	1.1
122.99241	1.4
155.21222	0.4
161.06149	0.6
189.12791	0.5
231.10229	1.0
249.06094	0.6
267.07196	2.5
307.93298	0.3
420.17712	0.3
483.16956	1.8
484.17761	0.3
501.18246	11.6
502.18472	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57059	0.5
58.22458	0.4
59.01379	45.3
60.01691	0.5
61.98825	0.7
71.01376	1.3
71.52496	0.6
74.99100	2.8
75.80467	0.5
76.93352	0.5
83.71632	0.4
85.02950	1.0
89.02466	0.8
89.62273	0.5
90.98618	0.5
99.04524	0.5
99.92593	2.4
101.02445	0.6
101.06079	1.3
101.18108	0.4
113.02425	0.9
115.92083	4.2
116.92858	17.2
117.92870	0.6
118.98087	1.4
120.63708	0.5
120.99654	100.0
121.99982	1.1
122.99216	0.5
125.02395	0.5
136.99168	2.3
138.91388	0.4
157.97224	0.5
158.51035	0.5
193.62956	0.4
233.11850	0.6
237.15009	0.6
251.12770	0.8
369.15656	0.6
369.22736	0.9
397.09525	0.6
415.10611	0.7
417.49002	0.5
457.11917	0.9
501.10699	2.3
501.18140	5.7
502.18710	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70940	0.5
52.67901	0.5
57.03451	0.6
59.01392	2.7
61.84769	0.5
61.98827	0.9
70.63197	1.5
71.01379	1.9
81.03466	0.6
82.25112	0.5
83.05035	0.9
88.77039	0.5
89.02442	1.8
112.42132	0.6
119.67945	0.5
121.06591	1.4
122.03735	6.0
133.06593	1.3
134.03734	8.7
135.04468	1.7
144.81328	0.5
147.08144	0.7
148.05363	2.6
149.06082	48.7
150.06584	1.9
151.07683	0.8
154.35851	0.5
161.06087	1.9
162.06856	2.0
163.07608	1.3
173.06084	0.7
175.07629	1.7
176.08435	8.3
177.05579	0.8
177.09181	1.1
179.05571	0.9
189.09207	36.0
190.09610	2.1
191.10768	6.5
231.13840	0.6
233.11818	1.2
233.15320	1.0
235.13293	0.6
247.13431	1.0
248.14174	100.0
249.14873	26.3
250.15306	2.2
263.12918	0.9
264.13559	1.1
266.15259	0.8
267.16046	1.3
282.48184	0.6
288.50293	0.6
319.22800	7.8
355.82178	0.6
372.19315	0.8
481.29498	0.7
484.28250	0.7
499.31042	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	500.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28707	0.4
58.73866	0.4
60.49698	0.3
61.98832	100.0
63.48650	0.3
69.60760	0.3
97.49475	0.3
107.37637	0.4
110.33560	0.4
236.01378	0.4
333.31784	0.4
393.33701	5.5
394.33762	0.5
452.55212	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15261	0.4
57.03449	2.6
61.98827	100.0
79.60607	0.3
81.03447	7.0
83.01400	1.1
83.07638	0.4
99.28246	0.4
108.44804	0.3
125.02463	4.1
180.28101	0.4
206.63177	0.4
236.97223	0.4
267.81830	0.4
437.32709	22.6
438.33035	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	500.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20625	0.6
52.78469	0.5
57.03445	5.6
59.29132	0.7
61.98829	100.0
69.37984	4.9
75.62440	0.6
81.03464	7.8
81.89690	0.8
83.05036	1.8
98.19860	1.4
99.04503	0.9
114.99960	0.7
125.02444	15.4
155.55594	0.7
399.73700	0.7
428.84576	0.6
437.32764	19.1
438.33240	2.9
483.78403	0.6
495.48776	0.8
506.46808	0.7
507.65143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.323
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57507	0.4
61.98829	100.0
70.31548	0.4
71.86298	0.4
73.03490	0.4
98.20694	0.8
125.06083	3.0
174.05415	0.4
179.44757	0.4
393.33810	3.2
394.33981	0.7
464.73416	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29828	0.4
59.01379	77.4
59.42288	0.5
61.98833	1.0
68.78686	0.5
69.26578	3.6
69.84938	0.5
72.99310	1.2
76.52809	0.5
85.00522	0.5
90.97136	0.9
111.25906	0.5
118.96633	0.6
132.98239	1.5
157.03552	3.9
159.01506	0.8
161.61049	0.6
174.99245	20.1
182.26863	0.6
201.02545	32.6
202.02748	2.7
217.00290	100.0
218.00591	2.7
252.22011	0.5
292.96320	1.1
343.03888	2.9
359.01459	54.3
360.01709	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3067
Annotation	Sodwanone A
Peak:m/z	Relative Intensity
52.12468	1.1
57.03443	2.1
59.01384	16.0
61.98845	2.6
71.01391	1.1
71.05047	1.3
71.51756	2.2
78.95908	1.7
85.02966	3.0
93.03439	1.9
94.04241	26.4
95.05040	4.6
97.06580	1.5
99.04524	1.5
107.05019	3.0
108.02128	1.5
109.06586	1.9
112.35107	1.2
120.05801	5.2
121.06625	6.4
123.08179	6.0
125.02451	1.7
126.03235	3.9
133.06595	1.2
135.08163	2.3
136.05386	1.1
137.06100	4.3
138.03227	41.6
139.03926	1.2
148.05283	1.5
149.06119	7.7
149.09753	2.9
150.06845	2.9
153.12801	2.1
159.37634	1.2
161.09785	1.3
162.06897	1.8
163.11293	7.5
165.09195	1.2
175.11253	1.2
176.08310	1.8
177.09134	1.8
187.14935	7.3
189.09103	2.2
189.12793	3.4
190.13600	2.0
191.10789	1.5
191.14360	2.6
195.13928	4.4
200.69820	1.2
201.12918	2.1
203.14468	1.9
205.15970	100.0
206.16341	5.5
207.13934	8.0
209.15526	4.2
219.13892	48.6
220.14259	3.6
233.15456	12.6
235.13467	1.2
248.14290	2.7
249.14944	48.1
249.17458	2.4
250.15280	3.4
259.17130	3.5
261.14984	6.8
263.13022	1.5
264.13672	2.0
275.20160	2.0
313.21799	1.5
325.21603	1.4
354.18420	2.0
388.85977	1.2
411.29071	2.6
420.74136	1.3
421.27588	1.6
439.28717	6.9
481.29605	23.2
482.29947	3.3
499.30801	45.0
500.31097	5.5
501.04965	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	499.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01721	0.8
69.47504	2.9
69.47862	0.4
71.01379	0.6
71.59560	0.4
75.00896	0.4
76.26962	0.4
85.02962	0.8
88.98835	0.5
101.02422	0.5
122.42271	0.5
195.46724	0.4
243.87125	0.4
265.00870	0.4
318.92325	0.5
399.81213	0.4
412.98563	0.4
423.15170	0.4
450.87540	0.5
499.26401	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	76.8
61.98826	1.3
73.44334	0.7
78.95899	26.0
83.12749	0.9
96.96955	2.6
98.58191	1.0
122.45784	0.9
132.15907	0.8
152.99574	43.7
171.00558	2.8
225.21846	1.2
227.03262	10.0
245.04330	5.6
248.14243	1.4
249.14668	1.1
253.21780	1.5
271.22763	100.0
272.23132	7.0
282.54730	0.8
317.21146	1.0
498.98618	1.1
499.26544	67.4
500.26764	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	499.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06290	0.7
59.01379	15.7
61.27316	0.8
61.98824	4.1
69.48795	3.9
71.01385	13.2
72.99281	0.9
85.02950	1.3
85.89632	0.7
87.00852	0.7
89.02448	20.4
98.19941	1.6
101.02428	6.1
104.92783	1.5
106.85534	0.8
113.02441	3.9
119.03493	2.9
122.03754	1.3
131.03519	1.1
134.03758	1.0
137.98383	0.7
143.03499	1.4
149.06068	3.0
161.04562	1.8
172.05383	0.9
178.33839	0.8
179.05591	9.0
189.09163	1.2
233.15599	1.0
248.14180	1.5
249.14798	1.3
263.12817	1.2
264.13528	2.6
267.15866	1.0
319.22751	100.0
320.23117	9.2
481.29562	1.2
499.13586	1.9
499.31061	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	499.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49424	1.3
57.03458	2.6
59.01382	100.0
59.90700	1.3
68.01825	1.2
69.38110	11.0
69.54735	1.4
71.01382	20.2
72.99304	3.2
73.02943	2.1
75.00869	8.7
83.01366	1.4
83.05040	1.8
85.02958	16.7
87.00871	5.6
89.02459	8.2
95.01406	2.3
99.00852	4.7
99.04483	4.7
101.02446	3.4
102.98558	1.8
103.00363	3.2
113.02454	25.0
115.00376	3.3
117.97314	2.1
118.98072	5.2
119.03495	2.2
120.99670	44.4
133.01434	3.0
135.08156	1.9
140.47432	1.5
149.56589	1.6
161.13335	4.6
185.36290	1.7
191.48137	1.3
194.40182	1.5
205.12326	4.5
232.30650	1.5
235.13388	2.6
245.13782	1.5
249.06158	8.4
251.16536	14.9
265.53778	1.3
267.07217	60.3
268.07465	3.8
453.11679	1.4
455.19159	10.9
499.17841	16.8
500.18158	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	499.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	29.3
62.71587	2.6
69.56831	2.5
69.78946	11.9
71.01377	22.5
85.02941	7.7
86.02469	3.5
87.00881	22.5
88.68480	2.6
89.02437	10.8
94.06603	3.7
96.96017	22.7
98.19909	3.3
99.00829	6.4
99.04525	3.7
101.02439	12.0
108.04540	3.3
113.02415	7.1
119.03515	5.0
122.06113	27.1
124.04012	2.8
124.21140	2.7
134.06088	15.0
136.04077	3.2
136.07686	15.6
147.05640	11.0
148.07674	4.5
149.04796	8.7
150.06877	3.4
151.07663	3.7
160.04065	3.1
161.04932	3.1
162.05562	5.6
164.07172	40.0
172.06419	3.7
173.04633	4.1
174.05605	4.5
174.09245	6.9
177.10350	18.2
178.08792	4.6
184.07637	3.6
187.08783	4.6
189.06644	8.5
191.05611	7.3
201.07655	2.9
201.10341	29.3
202.08795	12.5
203.11691	3.4
206.08229	4.6
211.08733	8.0
213.06706	3.5
213.10425	3.2
214.07397	4.3
215.11916	4.2
219.11349	24.5
220.09764	3.7
225.10271	6.6
227.08211	13.2
229.09808	43.8
238.07642	3.9
239.08299	5.8
240.09111	11.0
241.06104	3.0
241.09846	14.5
242.10619	16.8
243.11340	32.5
245.09238	14.0
247.10864	19.7
252.09016	6.7
253.09767	31.3
255.07545	4.6
255.11415	10.1
257.09384	13.7
259.10898	23.8
270.10107	22.4
271.10861	90.1
272.11224	9.8
273.08856	5.6
273.12463	9.6
277.11938	80.0
278.12274	3.7
283.10883	43.1
289.11911	7.1
300.11157	17.3
301.11932	83.0
302.12360	6.8
319.12967	15.4
381.16846	7.9
382.15482	3.5
399.17725	2.7
433.16138	59.9
434.16434	5.2
445.16238	8.4
451.17392	10.5
461.20181	9.1
463.17197	94.5
464.17279	8.6
464.23358	3.8
469.18082	3.3
481.18295	86.5
482.18661	10.0
499.19427	100.0
500.19727	8.3
516.32843	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	20.3
69.41047	2.6
69.41472	4.1
70.79004	1.0
71.01392	4.4
73.02975	1.2
74.99084	1.9
81.99284	0.8
83.01362	0.9
84.56070	0.9
85.02954	3.1
89.02448	2.0
91.51633	0.7
96.96012	2.1
96.96967	0.9
99.00902	1.1
99.04520	2.4
101.02463	2.2
113.02447	2.3
114.93353	1.1
115.92101	1.4
116.92870	5.3
118.98090	10.1
119.28358	0.9
120.99654	100.0
121.99961	1.4
135.08162	1.2
163.00516	1.1
180.36401	0.9
229.18102	0.9
235.13492	0.9
249.06129	0.9
251.16525	9.0
267.07196	2.9
276.89996	0.8
395.20682	8.5
413.21643	9.4
455.22687	3.8
499.16364	10.7
500.17062	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44256	0.7
58.45184	0.7
59.01371	3.5
61.98827	1.2
71.01394	2.0
71.52150	1.4
71.92566	0.8
72.99306	0.9
73.02956	0.8
78.95894	3.7
79.95722	3.8
80.70708	0.7
84.61581	0.8
85.02962	1.8
86.87553	0.8
87.00880	1.2
87.92455	0.9
93.03452	2.0
96.96010	100.0
96.96896	6.0
99.92556	1.0
101.02419	1.5
104.03549	1.8
113.02444	1.6
113.92628	1.6
163.04060	0.9
173.04488	2.8
191.05632	7.6
198.69899	0.8
200.88710	0.8
357.23279	0.9
401.18240	6.4
481.13184	2.4
499.14215	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
69.44512	1.2
69.44924	0.9
79.75685	0.3
82.57565	0.3
97.28864	0.3
99.04507	1.2
104.07795	0.3
114.02437	0.3
118.98074	0.5
119.90821	0.3
120.99653	100.0
121.99950	1.2
129.20828	0.3
499.16412	8.6
500.16672	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61595	0.5
60.78672	0.4
61.31831	0.5
61.98822	4.4
71.28603	0.8
99.04517	3.4
99.92584	44.0
100.92619	1.5
100.93348	9.5
115.92077	70.1
116.92084	2.7
116.92862	8.3
117.92862	0.5
121.91663	0.5
132.92393	0.6
154.76674	0.5
164.29440	0.5
209.60112	0.4
212.98560	0.9
237.97218	0.5
259.53583	0.5
399.12695	3.6
400.13318	3.2
413.10297	0.6
481.16992	1.2
499.17938	100.0
500.18124	18.9
513.15936	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	499.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11404	0.9
59.01379	100.0
60.01722	1.0
60.99310	4.9
70.43311	3.5
71.01378	1.7
73.02959	1.4
73.28779	1.1
74.02481	1.1
85.02982	1.1
87.00886	1.1
88.98804	30.8
89.02443	8.9
96.96009	1.5
113.02424	2.0
114.93427	2.0
116.92836	1.9
120.99657	2.8
140.64960	0.9
146.18605	1.0
161.04514	1.2
166.62891	1.0
170.79047	1.0
221.09201	1.8
233.15485	1.8
263.16431	1.1
294.22946	1.0
301.83398	1.1
397.21863	1.0
454.54440	1.0
499.27377	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	499.107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57954	3.1
59.01381	97.0
67.21086	2.9
68.53770	2.8
71.01387	23.4
71.50903	3.2
71.87524	2.5
85.02986	2.9
89.02454	33.3
90.02792	2.7
101.02438	12.1
110.51064	2.9
113.02454	11.8
119.03488	8.1
119.04989	3.5
133.68822	2.8
149.04474	6.3
152.95967	4.3
156.99052	19.5
163.67836	2.8
172.59882	2.9
179.05582	12.6
185.15923	3.0
247.41011	3.4
275.31512	3.1
341.10870	100.0
342.11032	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	499.1456
Annotation	kn-93
Peak:m/z	Relative Intensity
50.92091	0.7
51.98753	0.7
57.03448	1.0
59.01368	2.6
60.99292	2.9
61.98804	1.3
67.01886	10.2
69.03450	3.4
71.01380	4.1
71.51526	1.0
73.02936	0.8
80.27302	0.6
81.03439	1.7
83.01395	1.0
83.05019	2.1
85.02938	4.0
87.00870	13.9
93.03458	63.3
94.03759	0.9
96.96012	6.8
99.00854	1.3
99.04514	0.9
101.02427	1.4
109.02942	1.2
111.04514	10.6
113.02431	1.3
119.05022	25.8
127.04021	1.1
129.01956	2.6
134.06116	0.7
137.02446	0.9
145.02968	1.4
149.06096	0.8
155.03468	2.3
163.04001	17.6
173.04543	18.1
187.07687	1.0
191.05602	83.4
192.05882	2.5
246.41336	0.7
265.14371	1.1
322.72693	0.7
337.09286	14.4
338.09354	0.8
379.10208	2.7
419.17819	0.8
445.20474	1.1
481.13330	2.4
499.14465	100.0
500.14963	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	498.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	7.5
61.98833	100.0
65.00310	13.1
70.99763	6.7
83.01382	3.5
122.67273	3.2
125.02441	57.2
125.53471	2.7
128.98203	3.2
152.99545	4.9
165.19379	2.8
184.08177	2.9
391.32101	8.6
400.25671	7.9
435.31155	65.2
436.31494	4.4
460.14722	3.0
468.72455	3.5
499.17593	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	498.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.8
61.98832	100.0
69.14886	36.4
70.11842	3.2
80.73126	3.3
81.03452	10.0
92.09195	3.5
98.19924	7.2
110.13729	3.3
125.02443	21.9
137.28145	4.2
175.78951	3.9
205.48203	3.4
210.03023	3.7
233.12039	3.5
309.28333	7.4
319.81436	3.6
322.39990	3.8
334.66364	3.9
381.36316	3.8
435.31223	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	1.0
61.98824	2.2
67.37723	0.8
71.52446	0.9
71.52850	0.8
72.00888	1.1
73.04069	18.3
74.02473	43.8
75.02810	0.9
75.84738	0.8
78.95888	1.8
82.06628	1.3
83.02542	0.8
83.50125	0.9
84.00922	1.2
87.05625	4.2
98.93052	0.8
107.88397	0.9
112.02778	2.7
118.05073	3.6
125.10847	1.0
126.09251	2.6
130.08748	2.1
139.08698	1.2
141.10310	1.8
143.11891	27.6
152.07149	7.1
153.10301	1.4
154.91061	0.8
158.86621	0.8
169.09816	6.1
169.13431	4.4
187.10875	8.7
200.14032	46.8
201.14330	2.0
209.19098	1.0
226.15645	2.3
226.21751	41.8
227.22119	2.1
244.13385	1.1
244.16481	0.8
264.21854	0.9
266.21231	2.3
270.20758	3.1
283.23892	20.8
284.24268	1.1
353.31708	1.1
379.29630	1.2
397.30579	5.5
410.34033	1.9
416.25494	1.0
436.35913	1.5
445.51913	0.8
452.65012	0.7
454.32813	100.0
455.33145	11.4
498.29480	1.7
498.35486	44.7
499.36252	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	497.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.2
61.98822	2.4
66.32327	1.0
71.01400	2.5
71.52296	1.2
71.52727	2.2
72.18523	1.0
78.95919	2.2
83.05023	2.0
85.02947	1.8
85.06578	1.3
89.02454	2.2
93.03493	1.3
99.04517	1.3
109.02939	1.3
121.06586	2.0
122.03740	36.3
125.02463	1.6
134.03737	14.5
135.04529	4.2
136.05283	2.3
137.02390	1.2
148.05322	3.9
149.06081	60.9
150.06717	4.3
151.07626	5.3
152.99620	1.2
161.04816	1.1
161.06091	3.8
162.06847	4.3
163.07631	2.0
164.08397	4.0
171.08163	1.1
171.98425	1.3
175.07616	3.2
176.08435	6.1
177.09200	21.4
178.09790	1.6
179.10809	1.4
189.09215	47.5
190.09543	2.1
191.05594	1.4
191.07170	1.8
191.10785	2.1
231.13902	4.0
233.11758	1.5
242.18027	1.1
247.13344	6.2
248.14165	100.0
249.14902	55.6
250.15311	4.5
263.12805	1.9
264.13519	1.6
267.15909	3.4
269.21201	1.0
275.07172	1.1
305.84796	1.1
317.21185	11.3
322.60590	1.0
415.24841	7.0
497.16791	1.1
497.29651	12.1
498.29248	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	497.2756
Annotation	Simplexin I
Peak:m/z	Relative Intensity
56.31537	1.2
58.00563	1.7
59.01379	78.4
59.50236	1.4
61.98827	5.9
69.03445	1.3
71.01009	2.7
71.01380	39.7
71.52791	1.6
72.99309	2.2
73.02946	43.3
78.95889	1.8
80.96496	1.3
83.01392	14.4
85.02948	7.7
87.00873	3.8
89.02447	6.5
95.01352	1.3
97.02954	1.5
99.92635	1.5
101.02441	36.4
113.02472	8.3
115.92090	17.6
116.92818	1.7
119.03527	2.1
120.99692	1.6
122.03734	3.6
125.02406	1.5
134.03818	1.7
135.04504	1.3
135.08192	2.4
137.02423	2.0
137.06046	2.1
137.53397	1.4
143.03519	1.9
149.04649	1.5
149.06071	6.9
161.04530	5.2
165.05586	1.7
189.09219	3.4
233.15474	8.3
235.13354	3.9
248.14110	8.5
249.14851	6.4
263.12881	24.7
264.13507	3.4
275.20145	23.3
277.21716	2.6
293.21146	20.6
358.30872	1.6
392.07178	1.5
423.25623	1.8
435.25391	2.5
437.25317	10.3
453.26154	2.3
455.26541	21.5
456.27002	2.7
479.28247	2.9
497.27731	100.0
498.28076	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	497.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03317	0.8
54.04131	0.9
57.03446	0.8
59.01372	15.4
61.98820	1.7
71.01381	10.7
71.05017	2.8
78.95916	7.5
83.05029	1.2
85.02948	1.8
87.94119	1.0
89.02435	20.2
98.01417	0.9
101.02435	5.9
108.02163	1.2
113.02408	4.2
115.36499	0.9
118.74135	0.9
119.03513	1.6
122.03746	1.2
143.03499	1.1
149.04620	0.8
149.06059	3.2
152.99577	9.1
161.04468	1.2
171.98315	1.6
176.08368	1.4
179.05582	8.0
189.09210	1.9
191.05539	0.9
191.10757	1.3
197.19128	5.1
214.70370	1.1
219.13934	1.1
223.20634	2.5
225.22221	8.6
227.03294	2.1
247.13326	2.6
248.14261	4.7
249.14825	5.2
251.20088	1.3
269.21207	29.3
270.21451	2.5
279.12155	1.7
289.18222	1.1
317.21182	100.0
318.21539	8.2
359.55637	0.9
418.94489	0.9
450.78342	0.9
497.17065	1.2
497.24255	19.2
498.25125	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2755
Annotation	Pierisformoside A
Peak:m/z	Relative Intensity
57.03426	1.0
59.01107	1.6
59.01376	19.7
61.98818	1.5
71.01385	13.6
85.02973	1.3
87.66964	0.8
89.02444	20.1
98.19870	2.0
101.02440	4.5
104.92821	1.5
113.02429	4.0
119.03475	2.9
121.02871	0.9
122.03736	1.8
130.29018	0.8
131.03450	1.3
135.04514	1.4
137.02448	1.1
143.03470	2.5
148.05339	1.5
149.04628	0.8
149.06070	5.2
161.04533	2.1
177.09106	1.6
179.05606	8.4
189.09206	1.7
190.10069	1.2
203.75583	0.9
215.14366	1.2
233.15399	3.4
247.13307	1.3
248.14185	9.6
249.14896	4.4
263.12909	7.7
264.13419	1.6
309.45401	1.0
317.21210	100.0
318.21542	9.7
451.15637	1.0
459.27710	1.4
482.25912	2.1
497.29102	18.2
498.29074	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19705	0.9
54.60442	0.9
58.00579	1.0
59.01376	11.3
61.98813	1.6
71.01379	11.7
71.05020	2.2
71.53377	1.8
73.00056	0.9
76.45165	1.0
78.95908	3.7
83.04983	1.1
89.02437	15.9
99.00895	1.4
101.02441	6.1
113.02484	2.3
119.03497	2.5
122.03728	2.6
134.03731	2.0
135.04462	1.4
135.08156	1.7
142.58694	1.0
143.03513	1.4
148.05241	2.1
149.04814	1.5
149.06061	12.9
150.06741	1.2
152.72501	1.1
152.99596	4.9
161.04524	2.7
163.07687	1.3
175.11336	1.6
177.09259	1.6
179.05591	7.3
189.09276	2.1
191.10814	2.1
197.19032	1.8
211.96233	1.1
214.73528	1.0
225.22194	3.1
227.03340	1.1
233.15326	1.3
247.13289	2.6
248.14110	4.8
249.14821	2.8
251.20305	1.2
263.12799	6.1
264.13660	2.4
266.15222	48.0
267.15546	3.2
269.21185	17.3
270.21509	1.5
315.19757	1.1
317.21198	100.0
318.21536	8.9
439.25131	1.8
482.25665	1.7
484.49210	1.1
497.25110	6.0
497.28983	13.9
498.29495	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.252
Annotation	12,13-Deoxyroridin E
Peak:m/z	Relative Intensity
51.91130	0.8
57.03445	1.7
57.03730	0.9
59.01385	4.6
61.98833	1.3
70.32526	3.0
71.01363	1.2
71.05029	9.9
75.62296	0.9
78.95904	20.0
78.96327	1.4
83.05035	2.6
87.04503	1.0
91.96057	0.9
96.96959	1.6
99.00921	1.3
108.02194	0.9
122.03741	14.4
133.06564	1.6
134.03741	1.8
135.04515	1.6
136.05363	1.1
149.06061	6.4
151.07562	1.5
152.99583	40.6
159.08171	1.2
161.06175	1.0
162.06851	3.8
171.00714	1.4
171.98332	1.1
173.06071	1.0
175.11275	6.8
176.08450	4.2
177.05594	0.9
177.09195	10.6
178.09715	0.9
189.09132	4.3
191.07176	1.0
191.10834	1.5
195.17543	1.2
197.19121	17.8
198.19403	1.1
206.09511	1.2
215.14450	0.9
223.20645	8.5
225.22220	26.0
226.22487	1.9
227.03204	7.4
229.12260	0.9
231.13904	1.4
233.15471	8.4
245.04349	1.6
247.13377	1.9
248.14262	5.0
249.14966	4.0
251.20107	5.0
263.12909	2.5
265.14539	2.0
267.15985	8.4
269.21213	100.0
270.21564	7.5
317.21204	4.2
415.25204	1.6
479.27783	1.6
497.24469	64.1
498.24512	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	497.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13521	2.1
51.36139	1.7
53.44101	2.0
57.65666	2.0
59.01114	3.0
59.01384	42.2
61.98822	7.5
69.73176	6.1
69.73590	5.2
71.01382	8.3
78.95907	48.8
85.02908	4.4
87.00846	1.9
89.02435	5.6
93.03455	4.8
96.96000	7.4
96.96954	4.0
98.19656	2.2
99.04509	3.4
104.03546	3.1
113.02435	3.8
118.98052	3.0
120.99641	4.3
121.57725	2.1
122.03722	4.6
134.03719	2.2
135.01120	2.0
135.04500	6.6
149.06030	11.3
150.06856	6.0
152.98376	3.8
152.99593	63.3
161.65601	2.1
161.76450	2.1
163.07693	2.3
165.12819	2.4
171.00661	16.9
173.04465	2.7
185.58321	2.0
191.05608	5.6
193.59331	2.1
207.13823	5.1
209.11830	6.8
219.13887	3.1
227.03313	4.0
231.13936	4.3
245.04291	38.5
248.14191	21.2
249.14957	45.6
250.15373	5.0
269.13925	21.3
335.22189	4.3
405.13104	3.7
497.17914	100.0
497.27390	11.2
498.18326	9.3
518.81042	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	497.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33952	6.1
59.01382	100.0
61.98810	5.9
69.62298	37.2
71.01376	35.5
71.85019	6.6
73.02926	22.7
73.98714	6.1
74.99108	7.3
77.48332	6.4
78.90933	7.2
83.01385	9.0
85.02939	8.9
87.00880	8.2
89.02438	15.1
93.03429	10.3
94.03808	5.9
96.96024	15.4
99.04475	9.2
101.02431	23.9
113.02454	23.7
118.98101	7.0
122.03729	17.8
167.03540	12.5
173.04533	8.6
191.05605	17.5
203.10753	10.9
249.14983	25.8
264.02606	7.4
335.22168	7.3
339.08594	6.6
393.19260	12.6
497.27869	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	497.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33952	6.1
59.01382	100.0
61.98810	5.9
69.62298	37.2
71.01376	35.5
71.85019	6.6
73.02926	22.7
73.98714	6.1
74.99108	7.3
77.48332	6.4
78.90933	7.2
83.01385	9.0
85.02939	8.9
87.00880	8.2
89.02438	15.1
93.03429	10.3
94.03808	5.9
96.96024	15.4
99.04475	9.2
101.02431	23.9
113.02454	23.7
118.98101	7.0
122.03729	17.8
167.03540	12.5
173.04533	8.6
191.05605	17.5
203.10753	10.9
249.14983	25.8
264.02606	7.4
335.22168	7.3
339.08594	6.6
393.19260	12.6
497.27869	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	497.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71749	0.7
54.08136	0.8
59.01377	100.0
61.98836	1.0
63.27167	0.8
71.01378	2.3
73.02966	0.8
85.02955	1.5
87.00876	10.4
88.00426	1.2
88.98801	3.0
97.06593	2.8
113.02475	0.9
122.03728	1.2
134.03693	1.5
135.04547	0.8
148.05345	0.9
149.06090	5.8
149.76923	0.8
162.03223	0.9
177.05540	1.3
180.33717	0.8
195.21297	0.9
215.14403	9.1
218.13141	0.9
232.14601	4.9
233.15437	45.4
234.15816	3.1
249.14897	2.9
250.15585	0.9
251.16490	3.7
293.17636	1.0
317.21185	0.8
365.19882	0.9
384.37006	0.8
438.28983	1.0
456.29410	1.1
497.27182	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	497.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.6
61.98833	0.3
67.88525	0.3
69.89088	1.4
71.01370	0.8
73.02935	0.5
85.02970	0.3
85.92835	0.3
99.04517	1.4
99.70871	0.3
101.02423	0.7
112.26312	0.3
113.02450	0.5
118.98102	0.4
119.63198	0.3
120.99657	100.0
121.99982	1.0
126.43492	0.3
146.49202	0.3
154.47284	0.3
156.50124	0.3
307.63318	0.4
326.09573	0.3
375.03299	0.3
406.69315	0.3
497.14664	2.2
508.17438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.4
60.31256	0.5
71.01389	1.4
71.10518	0.5
71.53757	0.8
74.99096	14.5
83.23749	0.4
85.02937	1.1
89.02416	0.6
93.03444	0.6
96.95997	1.7
99.04515	1.0
109.02923	0.8
113.02489	0.6
114.00113	0.5
118.05123	2.7
118.98086	100.0
119.98428	1.3
120.01252	2.1
122.03729	1.0
147.81436	0.5
191.05666	0.9
231.56856	0.5
249.14955	1.4
267.07050	0.9
305.08456	0.6
497.20459	2.3
497.27496	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	496.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27997	0.3
51.58366	0.3
54.14441	0.3
54.81512	0.3
59.01372	0.6
59.52790	0.4
61.98829	100.0
64.38718	0.3
69.35777	2.1
69.36179	0.6
71.01384	0.4
88.42791	0.3
95.60110	0.3
96.96012	0.5
98.20592	0.7
138.88080	0.3
158.38972	0.3
165.22087	0.4
175.87442	0.3
198.63052	0.3
204.86052	0.3
435.83786	0.4
497.27643	0.9
520.83807	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.2
69.33174	3.1
71.01379	0.9
73.02930	0.4
80.21896	0.4
85.32858	0.3
89.02494	0.4
90.14154	0.4
98.19954	0.8
99.04520	1.8
101.02450	0.8
109.34107	0.3
113.02428	0.7
120.99651	100.0
121.99978	1.5
319.24860	0.5
497.14682	2.7
520.05469	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34889	0.6
57.03449	19.7
57.30824	0.6
59.01379	1.4
63.02384	1.5
65.00321	6.9
65.03952	2.8
67.01895	3.6
67.84512	0.6
68.99823	2.2
69.52720	4.8
79.32536	0.7
81.03455	56.3
82.03802	1.4
83.01389	14.3
83.05025	11.9
85.02952	20.8
88.04035	2.0
91.58442	0.6
93.49735	0.6
97.06558	0.9
98.19958	1.7
106.04240	0.7
107.01385	2.0
107.05034	6.1
109.02951	8.2
120.05790	0.8
121.06578	5.7
122.03747	3.9
125.02442	100.0
125.06055	2.2
126.02782	2.3
133.06586	2.0
134.03770	1.5
135.04494	1.7
135.08156	14.0
136.05287	2.9
137.02492	0.8
137.06108	1.1
148.05318	1.5
149.06070	8.7
150.06807	1.1
151.03978	3.2
151.07649	1.4
153.01927	14.4
153.03148	0.9
159.04463	0.8
159.08150	1.1
161.06079	1.5
161.09697	5.2
162.06827	1.7
163.03957	1.3
163.07666	0.8
164.04774	1.4
165.05534	1.6
167.07088	0.9
173.09732	3.1
174.06865	1.4
175.07509	1.5
175.11287	2.4
176.08408	4.4
177.09206	1.8
189.09192	4.4
191.10701	3.5
193.05054	1.0
201.12840	1.6
203.07097	0.8
203.14336	0.9
205.08636	1.4
211.06117	22.0
212.06369	1.0
215.14378	1.7
231.13878	3.2
233.15419	8.7
235.13391	4.2
245.11830	1.0
247.13406	2.6
248.14249	3.3
249.11108	0.8
249.14890	3.4
261.11353	2.1
262.12131	1.0
263.12863	22.5
263.15720	1.2
264.13406	2.2
265.14438	1.0
283.26447	0.8
304.99826	0.7
317.51755	0.7
349.31143	0.8
351.28857	2.3
368.16202	2.2
369.30087	13.5
370.30493	0.8
382.17813	1.3
391.32358	1.6
393.90729	0.9
396.19464	2.5
397.20166	12.0
398.20541	1.1
410.21118	2.4
433.33105	5.1
436.22388	1.2
437.23395	1.5
477.26404	1.1
477.32324	9.8
480.25412	1.9
495.27542	28.2
495.33621	13.1
496.27884	4.4
496.33969	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	495.332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28973	1.9
58.70789	2.0
59.01379	71.1
81.03450	2.1
92.91867	2.0
100.82545	1.9
125.02478	2.9
137.02466	4.8
150.03214	34.8
151.03996	3.5
153.01912	11.3
162.03220	28.7
163.03970	4.0
165.05524	12.5
167.03355	2.1
173.96436	1.9
177.05548	32.0
178.06369	11.5
180.04282	8.3
192.04276	13.4
195.06564	8.3
207.06630	10.5
222.05319	100.0
223.05685	4.1
237.07668	38.0
238.08008	2.5
240.06436	12.8
243.11429	2.0
255.08731	46.2
256.09039	2.5
281.24756	6.6
299.25879	73.2
300.26013	5.4
301.21671	9.3
477.32156	48.4
478.32443	8.1
495.33258	33.0
496.33633	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	495.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70670	1.5
57.03451	19.0
65.00323	6.9
65.03967	2.4
67.01875	3.6
68.99822	1.8
70.83234	1.9
70.83574	2.9
81.03456	54.3
83.01377	12.4
83.05022	12.4
85.02943	22.6
100.09223	1.3
107.05034	5.9
109.02921	6.4
113.41946	1.6
119.04961	1.7
121.06604	11.5
122.03750	13.1
123.04499	1.5
125.02451	100.0
133.06586	3.2
134.03699	2.5
135.04482	3.8
135.08170	20.6
136.05301	7.8
137.06065	4.5
146.62987	1.5
147.04536	1.4
148.05276	3.4
149.06084	21.6
150.06831	4.1
151.04005	3.3
151.07619	6.2
153.01903	15.1
161.06143	2.0
161.09743	7.4
162.06879	2.6
163.04060	2.4
163.07629	2.5
164.04684	3.8
165.05556	6.6
173.09723	9.3
175.07668	2.4
175.11237	12.1
176.08408	12.7
176.32790	1.3
177.05650	2.3
177.09065	4.2
189.09221	14.9
191.10757	17.2
192.11032	2.2
201.12845	4.1
203.07129	2.5
205.08609	5.4
211.06102	22.8
215.14359	2.7
217.12352	2.0
231.13881	5.9
233.15453	29.7
235.13425	7.6
245.11780	3.4
247.13322	5.4
248.13994	4.9
249.11067	1.7
249.14932	14.4
261.11234	6.3
262.11960	4.4
263.12857	37.6
264.13248	4.2
297.11310	1.5
351.28854	1.9
368.16141	1.9
369.29965	13.3
396.19275	6.9
397.20065	12.0
398.20081	1.3
398.93326	1.5
410.20807	4.3
415.31857	1.9
430.92203	1.5
433.33209	3.3
436.22220	4.1
437.23288	8.5
477.32162	9.3
480.25275	3.5
495.27341	70.1
495.33475	12.6
496.27939	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	495.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18439	6.5
69.18848	3.0
78.95901	33.0
91.08058	0.9
92.69675	1.0
96.96957	2.5
125.68417	1.0
129.99297	1.0
152.99591	45.9
168.32825	1.2
171.00644	5.7
175.27968	1.0
176.99098	1.0
195.74352	1.0
227.03239	4.6
242.50443	1.0
245.04323	29.9
267.23282	23.4
281.24857	1.1
301.21710	100.0
302.22150	9.0
318.41949	1.1
441.55872	1.0
495.27301	37.3
496.27652	4.2
504.74588	0.9
512.89813	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17087	0.9
54.77155	1.0
61.98822	3.1
71.51698	1.6
79.81063	1.0
84.95109	1.6
90.00565	1.1
96.16581	0.9
125.02397	1.6
164.47459	1.1
170.92004	1.0
175.95142	1.0
212.06256	1.0
301.21716	100.0
302.22098	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77148	0.9
53.78379	0.8
57.03449	3.9
59.01367	3.1
69.03478	0.8
70.02091	4.0
78.95892	4.1
83.05017	3.2
93.07101	0.9
95.72071	0.8
98.19963	1.3
98.70525	0.8
106.04280	1.2
109.02863	0.7
119.04986	1.4
121.06599	19.9
122.03720	1.8
125.95731	0.9
133.06602	1.7
134.03731	1.6
135.04506	1.6
135.08168	3.7
136.05327	5.6
137.02344	1.0
137.06133	1.0
144.05820	1.7
145.06563	1.7
146.07385	1.6
147.08208	1.0
148.05342	0.9
149.06081	8.3
149.09695	2.4
151.07628	0.8
152.99567	6.7
159.08156	2.9
160.05394	0.8
161.06039	1.8
161.09724	18.8
162.06844	3.0
163.04041	1.0
164.04791	1.4
165.05624	1.0
165.09593	0.8
168.04243	1.1
171.00702	1.1
171.08142	1.1
173.06058	1.0
174.06834	2.5
175.04037	1.1
175.07681	1.1
175.11256	10.5
176.08372	0.8
177.09193	5.3
186.10429	2.1
188.04851	1.1
189.05391	1.2
189.09190	7.8
201.12830	10.1
203.07112	1.8
206.95377	0.8
219.13863	1.9
233.11852	1.4
233.15448	30.2
234.15842	1.1
235.13339	3.5
247.13373	3.5
248.14133	3.8
251.03622	0.9
261.11325	2.4
262.12018	2.0
263.12851	22.5
264.13293	1.7
265.14557	1.0
268.07462	1.0
341.47702	0.9
367.15762	1.3
368.16138	3.8
381.16934	2.2
409.23499	3.5
410.20718	1.0
437.23532	1.8
477.25525	1.3
480.25327	3.9
495.27502	100.0
496.27808	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	495.2753
Annotation	Mikagoyanolide
Peak:m/z	Relative Intensity
69.78341	4.2
82.87159	0.8
83.26928	0.8
86.58751	0.7
122.03701	2.3
134.03673	2.3
135.04492	1.4
136.81836	0.8
148.05377	1.4
149.06081	10.3
150.36551	0.8
162.06888	1.5
173.06081	1.0
175.48544	0.9
176.08401	2.4
177.09128	0.9
189.09209	6.9
191.10771	1.2
200.04793	1.1
225.05510	1.0
227.07144	3.7
239.07104	2.8
240.07834	3.2
241.08681	1.7
245.11765	0.9
247.13376	2.8
248.14146	16.1
249.14775	2.3
253.08507	1.7
266.09708	0.7
266.13098	0.9
267.10175	1.6
299.13074	1.4
311.12833	3.1
312.13309	1.5
324.13663	1.1
325.14539	4.2
326.15048	2.3
327.15738	1.0
338.15335	1.2
339.16013	18.0
340.16364	1.3
365.17517	6.3
366.17719	1.3
368.16196	14.8
369.16492	2.0
370.17841	2.0
381.16934	1.3
407.21970	1.1
409.20328	1.8
410.20718	1.0
410.95935	1.0
423.21732	26.8
424.22379	9.7
437.23102	2.2
452.25671	0.8
480.25150	100.0
481.25604	13.6
495.27515	12.2
496.27771	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88584	0.6
70.40399	0.6
70.84146	1.2
76.64495	0.5
81.03458	1.0
98.09241	0.5
115.78594	0.6
118.19615	0.5
118.79514	0.5
122.03724	1.3
135.04555	0.9
138.84712	0.6
148.05287	0.5
149.06081	2.2
159.04498	0.9
161.06087	0.9
163.07684	0.6
163.37314	0.5
173.06104	0.8
174.06892	1.0
175.33340	0.5
177.09180	0.7
187.07626	0.5
189.09189	1.5
200.04819	0.7
213.05638	0.8
225.05542	0.7
226.06099	1.1
227.07124	2.8
235.13293	0.9
239.07120	3.2
240.07877	4.2
241.08589	1.1
247.13322	2.0
248.14137	1.4
251.07291	0.7
253.08650	1.6
255.10081	0.6
265.08615	1.5
266.09418	0.8
267.10239	1.5
281.11835	1.0
299.12888	1.3
305.11893	0.6
307.13257	0.9
311.12979	1.5
312.13782	0.9
313.14456	0.7
325.14343	6.0
326.15079	1.5
327.15915	1.0
329.16147	0.6
338.15216	0.9
339.15979	17.7
340.16425	1.6
340.23828	0.6
351.16092	0.8
352.16525	1.0
353.17749	0.9
365.17508	7.4
366.18008	0.9
368.16251	13.0
369.16568	1.6
370.17767	0.8
379.19101	0.6
381.16940	1.2
382.17551	0.9
395.18707	0.9
409.20117	2.1
419.22256	0.9
421.20273	3.7
423.21793	11.6
424.22501	7.8
425.22925	0.6
437.23300	1.2
465.22305	0.8
477.26233	2.0
480.25146	100.0
481.25568	11.7
495.27570	11.5
496.28571	1.2
496.36505	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	495.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26510	0.7
55.01902	0.9
57.81960	0.7
59.01379	100.0
60.01706	1.2
64.12135	0.7
69.03469	0.9
71.01380	16.8
73.02946	18.3
83.01392	4.7
83.51480	0.6
85.02953	4.9
87.00896	1.1
89.02451	7.9
95.01382	0.9
96.95996	1.1
101.02442	21.9
113.02454	9.9
113.03168	0.9
114.05597	3.7
116.92878	2.2
117.92879	1.6
118.91941	0.7
118.92712	1.5
119.03494	4.9
131.03546	0.8
143.03557	1.6
149.04591	2.4
161.04602	2.9
170.82211	0.8
171.11407	1.8
179.05644	1.1
183.13908	1.4
184.14236	1.4
191.05811	1.3
229.13527	1.2
229.91670	0.8
261.18549	3.7
351.21997	1.0
405.22974	4.2
423.23950	3.9
435.23557	4.1
453.24606	1.4
478.29791	0.8
495.26492	5.2
495.32343	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	495.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51611	0.8
60.53870	0.9
69.03460	0.9
71.52040	1.4
75.28758	0.8
78.95903	38.7
90.15762	0.8
96.96964	3.5
105.27332	0.8
152.99586	59.7
170.99283	1.7
171.00632	11.5
215.58182	0.8
223.43190	0.8
227.03241	4.9
241.04012	0.9
245.04303	46.5
246.04721	0.9
267.23279	30.2
268.23740	2.1
276.52402	0.9
301.21716	100.0
302.22009	8.3
378.67859	1.0
449.87875	1.0
495.27271	56.7
496.27518	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	495.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35639	1.5
57.03447	4.0
59.68820	1.6
71.52409	1.5
77.17401	1.9
78.95905	9.4
83.05018	3.9
99.00882	3.5
103.62345	1.9
111.00877	5.5
119.05016	2.9
120.05796	2.0
121.06596	19.1
122.03719	3.7
133.06563	7.8
134.03717	5.1
135.04524	7.1
135.08176	18.5
136.05302	30.1
137.06102	2.2
145.06560	2.4
147.04459	4.2
147.08160	4.3
148.05312	3.7
149.06081	21.9
149.09689	2.8
152.99605	7.7
159.04465	2.3
159.08157	5.1
161.09705	21.5
162.06898	9.5
163.04036	6.6
163.07664	5.2
164.04774	7.9
165.05501	2.4
168.04248	3.7
171.47278	2.0
173.06104	3.3
173.09726	1.9
174.06763	2.3
175.07574	1.9
175.11264	43.4
176.08318	3.5
177.05621	4.4
177.09180	16.8
186.10504	2.1
189.09206	27.9
190.09477	2.3
191.10771	6.5
192.07928	5.0
201.12825	5.6
203.07118	11.7
204.07988	2.8
205.08635	5.8
215.14450	2.5
217.12407	1.9
231.13857	2.0
233.15421	37.5
234.15788	2.9
235.13387	21.9
245.11864	3.1
247.13376	6.7
248.14072	6.5
249.14877	1.8
254.09410	3.1
256.10782	2.3
261.11270	15.4
262.11923	5.2
263.12860	100.0
264.13260	6.3
271.09802	2.4
281.08127	2.4
281.12091	1.8
283.13382	7.0
285.14819	3.0
297.11212	3.9
311.16385	7.8
314.11469	3.0
337.14304	5.2
351.15717	3.3
363.19675	2.9
366.18335	3.8
367.18854	2.3
368.16327	4.6
380.19882	3.8
381.20755	15.2
395.18307	2.0
396.19400	45.5
397.19656	4.6
407.27985	7.7
408.19003	11.5
409.19305	2.0
409.24048	16.7
413.19672	38.7
414.20074	5.4
422.20801	3.1
436.22534	43.4
437.23135	13.1
438.23462	2.6
441.18414	2.2
452.25470	7.2
469.22031	10.7
477.27551	3.5
480.25101	14.7
481.25381	2.8
495.27487	96.1
496.27728	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	495.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01696	0.8
61.98835	1.7
69.95353	1.7
69.95704	0.8
71.01398	0.8
71.19920	0.5
73.02969	0.6
78.95905	0.6
83.05000	0.6
93.03458	0.7
93.63301	0.4
98.20578	0.7
101.40387	0.4
103.63837	0.4
103.84673	0.4
111.04557	0.5
117.03465	0.5
122.03734	2.4
134.03725	2.6
135.04552	1.4
148.05344	0.8
149.06075	12.5
150.06613	0.8
159.04503	0.7
160.84627	0.4
161.06081	0.5
162.06870	0.6
163.07530	0.6
164.04753	0.7
171.08150	0.6
173.06100	0.6
174.06960	0.4
175.07672	0.6
177.09225	0.6
189.09215	1.0
191.05670	1.0
199.07687	0.5
201.09456	0.5
209.11931	0.6
211.13345	0.9
231.13910	4.8
231.90340	0.5
235.13185	0.6
236.77422	0.5
247.13412	1.6
248.14128	1.7
249.15001	0.6
279.20782	0.5
291.19534	0.5
323.09070	0.5
325.14169	0.7
333.20740	0.5
339.16046	1.0
368.16489	0.6
370.17554	0.6
397.20120	0.5
404.20190	0.6
477.27597	0.8
480.25290	1.2
495.16266	0.5
495.27975	5.0
496.24448	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	495.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	0.8
59.01378	18.7
61.98829	3.0
71.00848	0.6
71.01383	9.0
72.00895	1.1
72.99297	1.3
73.02969	0.4
74.02473	0.6
79.95718	0.5
80.05052	1.3
83.01392	0.4
84.83102	0.4
85.02934	2.2
87.00878	0.9
89.02443	8.3
95.01372	0.9
96.96003	2.5
101.02436	5.4
104.05029	0.4
105.66356	0.3
106.06612	0.5
108.04546	8.9
109.04882	0.5
113.02457	3.8
118.05100	5.0
119.03500	3.7
121.05329	0.9
122.06086	1.0
132.04539	0.3
136.07680	15.1
137.08041	0.4
138.05609	1.1
147.03284	1.7
147.05670	0.4
148.04030	0.7
152.07224	0.4
161.04454	0.4
162.05614	5.6
163.39899	0.3
166.05148	0.3
174.05698	0.3
184.11298	0.6
188.07152	0.6
191.05629	0.4
197.07230	0.5
198.07930	0.8
200.05872	0.6
202.12419	0.8
210.07756	0.3
211.08788	0.4
212.09550	0.7
213.06689	2.5
214.07509	0.6
215.11803	0.5
216.06691	0.6
217.07484	0.4
225.10294	0.6
226.07693	0.4
227.08273	0.6
227.11818	0.7
228.08742	0.8
229.09824	1.7
230.09900	0.4
237.06454	0.5
238.07471	2.0
241.06120	0.9
242.06956	1.9
243.11404	1.8
246.11163	0.4
253.09816	4.3
254.10315	0.6
255.07715	0.7
255.11377	1.0
256.08609	1.6
270.10135	1.3
271.10861	100.0
272.11191	8.0
352.39194	0.3
395.88678	0.4
408.16791	1.0
433.16217	0.9
451.17181	1.5
495.17072	4.6
495.26038	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	495.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.1
65.18624	0.7
69.30778	4.5
69.31193	2.2
71.01374	2.5
73.02917	1.3
73.33605	0.8
74.99094	16.5
79.95722	1.3
87.00881	0.8
89.02428	1.2
93.03471	1.3
93.92934	0.8
96.96018	6.9
97.06573	0.7
98.20688	1.3
98.95593	6.9
98.96423	1.2
99.00921	1.3
99.04515	1.5
101.02478	1.4
113.02473	1.4
116.92847	4.2
118.01394	0.9
118.98084	100.0
134.88612	0.7
135.04500	1.3
151.07751	0.9
173.09689	0.9
179.03564	1.1
179.07101	0.9
189.12863	2.6
191.05624	1.8
212.67372	0.7
217.05406	2.4
259.07947	1.6
277.10828	4.5
303.06982	1.5
397.09634	9.1
420.18890	1.1
464.17844	1.3
475.73239	0.8
495.17114	4.1
495.24719	1.5
496.11432	1.7
500.00424	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06306	0.2
54.44109	0.2
59.01355	1.0
61.01871	0.2
61.98829	100.0
71.01392	0.8
71.51340	0.3
82.39636	0.2
85.02972	0.2
89.02435	0.4
93.03468	0.2
96.96026	0.5
101.02441	0.4
108.04543	0.3
132.08250	0.2
136.07719	0.3
167.41835	0.2
181.82222	0.2
191.05621	0.3
194.36430	0.3
201.01668	0.6
213.89255	0.2
230.43077	0.2
236.05649	0.3
270.09830	2.8
271.10873	1.9
372.53265	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	0.6
59.01379	13.1
61.98826	1.6
64.43287	0.3
65.14772	0.3
66.81377	0.3
68.59090	0.4
69.38532	2.8
71.01382	7.2
71.94693	0.3
72.99305	0.7
73.02944	0.4
75.00875	0.4
80.05065	1.7
85.02963	1.9
87.00881	0.6
89.02445	6.1
95.01385	0.8
98.19926	0.8
101.02444	4.5
104.05124	0.5
108.04558	10.9
113.02478	2.6
119.03522	2.9
121.05321	1.3
122.06135	0.8
123.04536	0.4
131.03529	0.3
135.04512	0.4
135.31642	0.4
136.07684	16.2
138.05589	1.0
147.03271	2.4
148.04033	0.4
150.03235	1.2
152.01109	0.8
162.05606	5.9
165.05547	1.0
165.18811	0.4
167.03496	1.1
186.09229	0.5
191.05629	0.4
195.06651	0.7
197.07120	0.5
198.07990	0.4
199.05147	0.5
200.05934	0.5
200.10744	0.6
212.09450	0.9
213.06656	2.4
214.07445	0.5
216.06532	0.4
225.10541	0.5
227.08089	0.4
227.11949	1.7
228.08955	1.0
229.09833	1.1
238.07486	1.8
241.06155	0.8
242.06982	2.0
243.07487	0.4
243.11378	2.0
253.09802	4.5
254.10489	0.4
255.07744	0.8
255.11400	0.6
256.08542	2.0
270.10126	1.9
271.10867	100.0
272.11169	8.1
363.10730	0.4
379.12469	0.5
433.16199	0.6
495.15976	5.4
496.16916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	1.5
68.55397	1.1
71.52066	1.6
71.80943	0.9
78.95906	24.7
81.03485	1.2
86.18928	0.9
89.75417	1.2
96.96943	1.4
120.96952	5.8
125.02435	2.9
137.00157	1.2
138.98012	8.6
149.09177	1.1
152.99594	11.2
171.41148	1.1
182.00403	1.0
188.18658	1.1
195.00624	13.0
213.01611	2.4
279.23279	100.0
280.23721	9.8
362.15460	1.4
406.50623	1.1
475.24625	57.3
476.25052	8.3
493.25705	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	494.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35850	0.4
59.01380	2.8
61.98830	100.0
65.88159	0.4
71.01383	1.0
71.50728	0.9
73.43499	0.4
89.02461	0.6
96.95965	0.6
101.32298	0.5
109.79813	0.4
119.03452	0.6
134.03757	1.6
135.04018	0.6
137.02443	0.8
149.06073	2.9
149.26950	0.5
150.06419	1.8
197.08205	0.5
198.08469	0.5
227.34427	0.5
271.10947	1.2
332.38358	0.4
485.77240	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.1
65.18624	0.7
69.30778	4.5
69.31193	2.2
71.01374	2.5
73.02917	1.3
73.33605	0.8
74.99094	16.5
79.95722	1.3
87.00881	0.8
89.02428	1.2
93.03471	1.3
93.92934	0.8
96.96018	6.9
97.06573	0.7
98.20688	1.3
98.95593	6.9
98.96423	1.2
99.00921	1.3
99.04515	1.5
101.02478	1.4
113.02473	1.4
116.92847	4.2
118.01394	0.9
118.98084	100.0
134.88612	0.7
135.04500	1.3
151.07751	0.9
173.09689	0.9
179.03564	1.1
179.07101	0.9
189.12863	2.6
191.05624	1.8
212.67372	0.7
217.05406	2.4
259.07947	1.6
277.10828	4.5
303.06982	1.5
397.09634	9.1
420.18890	1.1
464.17844	1.3
475.73239	0.8
495.17114	4.1
495.24719	1.5
496.11432	1.7
500.00424	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15416	1.0
59.01377	12.1
59.37423	0.8
69.03458	1.2
69.64941	0.8
71.01385	2.8
71.52230	1.2
73.84086	0.8
79.95738	3.1
80.91682	2.1
82.95415	27.6
84.00930	1.2
87.00870	1.0
89.02457	1.1
95.30642	0.8
95.95198	1.6
96.92020	0.8
96.95996	3.7
97.36232	0.8
101.02435	1.2
113.68189	0.9
131.03503	0.8
136.01482	0.8
149.04495	2.0
165.12875	1.7
167.14412	29.8
168.14771	1.2
169.94986	0.9
185.15469	1.0
191.05573	1.3
211.13391	49.4
212.13728	3.0
229.14427	100.0
230.14740	4.3
344.33319	0.8
347.04034	0.9
361.18652	26.4
362.18820	2.1
449.14938	3.7
465.28918	0.9
493.22885	36.1
494.22958	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	493.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.2
57.03438	0.5
57.61346	0.6
59.01383	20.2
61.98802	0.7
69.03434	1.4
71.01385	13.0
71.52583	1.0
71.60841	0.5
72.18831	0.4
72.99281	0.9
73.02953	5.5
83.01382	3.4
85.02951	7.4
86.00094	0.9
87.00863	1.2
87.04500	0.5
89.02443	3.8
92.28658	0.5
93.05859	0.5
94.06610	0.7
95.01382	0.9
99.00848	1.9
101.01823	0.5
101.02443	10.4
105.44765	0.5
106.06622	0.8
113.02455	4.8
116.95788	0.4
118.05013	0.5
118.06572	0.5
118.19609	0.5
119.03486	1.8
120.92572	0.5
122.30585	0.6
124.07668	1.2
131.03447	0.9
132.58395	0.5
134.06076	1.8
150.05571	0.8
152.07127	1.0
155.10692	0.6
178.05081	1.1
180.06595	1.0
181.12314	1.6
199.13409	7.3
202.35352	0.5
214.12714	0.6
269.12946	1.5
303.13333	1.2
331.12994	30.5
332.13306	3.2
343.17633	1.2
361.18665	100.0
362.19031	8.1
373.22266	0.9
493.22986	30.9
494.23343	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	493.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79962	0.3
59.01371	1.0
60.07275	0.3
78.37105	0.3
78.95901	2.1
79.95739	3.1
89.02486	0.3
96.96011	100.0
96.96893	3.8
98.20651	1.0
98.95588	0.3
103.96072	0.3
128.79028	0.3
140.88930	0.3
149.47086	0.3
182.23300	0.3
493.17599	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	39.6
61.98830	30.5
69.51046	15.5
71.01395	10.3
78.73515	2.0
83.01344	2.0
85.02954	2.6
88.52277	1.9
88.98828	2.3
89.02435	13.1
92.90530	2.0
96.96039	2.9
98.19883	2.4
101.02439	6.5
102.41463	2.1
104.51374	2.4
107.01540	1.9
113.02422	6.2
113.08656	2.0
119.03486	4.0
120.32529	2.1
122.85542	2.2
123.30435	2.0
134.03745	47.0
149.06078	100.0
149.07268	4.9
150.06438	4.8
161.04559	4.4
162.55829	2.1
169.77011	2.5
179.05597	9.3
179.53575	2.0
197.08170	32.0
248.70985	2.2
359.13184	2.5
359.20026	2.3
433.16913	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	493.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12286	1.0
57.03451	1.3
59.01379	21.2
61.98830	13.3
69.03445	1.6
71.01387	11.4
73.02948	5.5
73.60645	1.1
81.03498	1.1
83.05034	1.7
85.02953	4.3
87.04539	1.1
89.02441	9.8
90.47785	1.0
95.59569	0.9
96.95991	3.0
97.06590	1.3
98.19871	2.7
101.02445	5.8
109.02930	1.1
110.00220	1.0
113.02453	6.4
115.82451	0.9
119.03495	3.5
120.99641	2.9
122.99252	2.6
125.09703	1.1
127.11309	1.2
131.03548	1.4
135.08163	2.4
137.09726	28.0
149.02472	1.2
155.10779	100.0
156.11089	4.7
161.04549	2.5
164.98238	1.0
171.10286	2.4
173.04529	1.2
174.73738	1.0
175.00328	1.3
181.08679	3.1
191.05602	2.6
199.09744	71.6
200.10132	3.0
201.11293	7.2
209.11803	2.8
223.09778	1.4
241.10768	3.2
243.03012	1.2
259.02267	1.6
271.02420	2.3
287.01929	6.4
288.02789	1.1
313.12830	2.3
315.01395	11.7
316.02036	3.8
330.03741	11.6
331.04498	9.4
331.13895	18.9
361.15247	5.7
361.22281	18.9
373.14938	2.6
433.24338	3.7
492.32471	1.1
493.09918	12.8
493.19116	22.6
493.26291	6.5
493.32455	2.0
494.10101	1.3
494.19135	3.4
494.26022	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
57.03454	0.2
58.00589	0.3
59.01379	4.3
71.01384	3.9
72.91300	0.1
72.99329	0.2
73.02943	0.9
75.13464	0.1
78.95889	0.1
83.01389	0.6
85.02950	1.0
87.00880	0.5
89.02445	3.1
89.62182	0.1
91.03963	0.2
95.01377	0.5
97.02910	0.1
98.19888	0.3
99.00878	0.2
101.02444	3.8
103.03952	0.1
113.02457	1.7
114.05619	0.2
119.03513	0.7
125.02432	0.3
131.03516	0.1
133.05055	0.5
143.03481	0.4
157.05150	0.2
161.04564	1.3
179.05579	0.3
182.29887	0.1
215.16577	0.1
235.08197	1.3
237.22266	0.2
253.09293	11.0
254.09636	0.4
255.23288	100.0
256.23630	7.5
279.23233	0.3
294.64667	0.1
352.69162	0.1
359.35089	0.1
447.32440	0.1
491.28067	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	493.0987
Annotation	Myricetin 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
50.71455	0.8
50.76191	0.8
59.01380	10.3
61.98833	6.5
65.00310	1.2
69.54450	2.4
69.54872	3.1
71.01373	2.8
73.02937	0.9
80.96514	1.4
83.98941	0.7
89.02450	2.0
93.03432	0.9
96.96013	1.9
96.99308	1.3
101.02443	2.0
110.00082	3.8
111.00887	0.9
113.02420	1.4
121.02953	1.4
128.36975	0.8
136.98824	1.7
137.99567	1.3
139.00352	4.4
139.03975	2.5
143.04947	1.2
149.02444	10.2
149.99530	1.3
155.10753	4.7
159.04536	2.5
161.02467	1.4
161.04564	0.8
163.03995	1.0
164.98270	7.4
165.99052	9.0
171.04492	2.6
175.00359	6.9
177.99028	4.4
178.99863	2.0
181.01439	2.1
185.02451	1.2
187.03986	3.5
189.01935	4.8
191.05566	1.9
199.03986	3.2
199.09808	4.3
201.02077	1.2
203.03474	2.6
209.00906	2.0
213.01828	1.8
215.03481	7.4
217.01314	0.9
219.03011	1.0
226.02681	1.4
227.03459	2.5
229.01466	1.3
231.02965	7.6
241.01324	2.6
242.02194	2.9
243.02980	9.7
244.03329	1.5
245.00885	2.2
258.01675	0.9
259.02478	10.4
269.00906	1.6
270.01657	8.4
271.02472	14.9
272.02890	1.2
287.01959	61.3
288.02512	6.7
315.01453	99.6
316.02161	39.5
316.28009	0.9
317.02521	2.1
330.03787	100.0
331.04535	70.6
331.08691	1.6
332.04889	4.4
433.24414	2.5
478.07187	1.6
492.31647	1.9
493.09860	98.9
494.10330	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	491.2664
Annotation	Mucronine B
Peak:m/z	Relative Intensity
59.01372	2.7
60.25555	0.9
61.98827	2.0
66.03461	1.7
71.02493	2.8
84.39417	1.2
97.00449	1.1
102.98579	2.1
110.03610	1.5
114.05599	4.8
115.08770	9.5
116.05075	1.3
118.06632	4.2
119.56870	0.9
125.07202	2.6
126.05626	1.8
141.06693	4.3
146.06119	9.0
146.34572	0.9
152.08289	1.3
153.06779	1.0
163.08781	1.4
170.09331	2.8
171.10332	1.4
173.07280	1.2
179.11896	4.5
183.13805	1.0
195.40782	1.0
197.08014	1.3
202.12392	1.6
211.13411	1.3
214.15605	5.2
217.13423	1.2
227.11864	2.1
228.10303	2.8
229.08675	2.8
245.13005	2.4
248.10742	1.1
262.15552	2.6
269.16241	1.6
298.84863	0.9
326.18625	5.3
344.19791	2.5
428.49835	1.1
491.26620	100.0
492.26962	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	491.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01725	0.9
61.98835	2.6
68.74535	0.4
71.01391	1.5
73.02977	0.6
78.91926	0.5
83.05036	0.7
85.02951	0.7
85.69364	0.4
89.02460	0.5
101.02480	0.7
111.04555	0.6
113.09757	0.5
117.15533	0.5
125.09732	0.8
129.05580	0.5
161.04529	0.8
169.08797	0.6
171.10338	1.4
197.11913	0.8
198.03255	0.6
229.14465	0.6
251.16820	0.5
277.40173	0.5
298.01288	0.8
313.03760	1.9
334.54327	0.4
341.19846	0.7
359.16415	0.9
359.20728	11.6
360.21240	0.8
389.21710	0.5
476.09625	1.3
491.11667	2.8
491.25110	4.0
492.12317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29885	1.6
56.70618	1.7
61.98814	1.6
63.36429	1.7
78.95910	2.5
118.06582	1.7
127.38544	1.8
150.26740	2.0
229.10652	2.0
272.15643	2.4
277.21539	3.7
359.22235	100.0
360.22604	9.4
390.97797	1.9
417.17337	2.0
422.30875	2.0
473.22910	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	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01716	0.7
61.98831	1.5
69.62318	1.9
71.01390	1.1
73.02938	0.5
85.03020	0.5
89.02459	0.8
90.58954	0.4
101.02440	0.8
108.63676	0.4
109.77232	0.4
113.02391	0.4
128.19594	0.4
188.05287	0.4
192.27055	0.4
215.48619	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01722	0.9
61.98830	10.9
69.48788	2.0
71.01392	1.8
73.02971	0.4
79.05009	0.3
85.02985	0.8
85.30243	0.3
89.02493	0.7
96.96009	0.3
98.20621	0.5
101.02464	0.8
113.02445	0.9
119.03461	0.4
131.84708	0.4
153.09216	1.8
155.10851	1.1
161.04607	1.0
197.08226	1.0
227.16553	1.7
255.04431	0.4
329.12921	0.8
347.06903	0.4
371.20709	0.7
389.21808	1.4
431.22766	2.1
491.17853	0.7
491.25558	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.6
59.01379	3.2
66.15977	0.3
68.99591	0.4
69.03459	2.9
71.01368	2.7
73.02938	2.2
73.51430	0.3
83.05020	0.5
87.00864	1.1
87.04510	0.4
89.02435	6.6
90.16693	0.4
96.94291	0.3
101.02427	0.4
103.04005	2.1
111.08147	2.6
115.00371	0.8
119.37046	0.3
119.58381	0.3
124.53107	0.4
131.03470	1.5
140.22375	0.3
149.04550	22.9
153.44200	0.3
165.12837	31.5
166.13150	1.6
183.13890	100.0
184.14221	5.3
191.10664	0.7
209.11923	2.7
221.82585	0.4
227.12875	63.9
228.13161	2.9
287.22226	1.5
335.27573	0.4
341.15881	1.7
359.17096	39.4
360.17343	3.6
431.26462	0.5
449.27316	2.0
491.21390	37.2
491.28409	4.0
492.21808	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	491.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33203	1.1
55.01846	1.1
55.18178	1.0
57.03441	3.4
59.01378	15.6
61.98845	1.1
68.99572	21.6
69.03455	3.2
70.97832	1.0
71.01382	7.8
71.52135	1.5
71.52510	1.1
73.02942	5.0
83.01380	1.3
85.02940	5.4
87.00880	2.1
89.02444	5.6
93.03439	1.2
95.01413	1.6
96.96016	1.6
99.00815	1.0
101.02461	2.5
103.04013	1.5
103.27921	1.0
111.08160	2.4
112.98576	29.9
113.02436	4.7
124.07693	8.8
128.65817	1.1
131.03535	2.8
135.04495	1.4
145.01414	1.2
149.04565	19.1
165.12856	27.3
169.27997	1.2
175.74048	1.1
178.05081	1.3
183.13901	100.0
184.14236	3.8
191.05559	1.4
209.11835	1.3
219.21722	1.1
227.12891	65.2
228.13190	2.9
236.69138	1.2
287.14011	18.8
287.22284	4.7
288.14395	1.4
329.14975	3.1
347.30573	1.7
359.17130	42.3
360.17542	3.2
376.91650	1.6
431.26404	5.3
449.27527	8.9
478.76791	1.2
491.21310	38.9
491.28494	14.6
491.35172	3.8
492.21637	4.2
492.28427	1.6
495.95685	1.2
506.54514	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	84.0
60.99305	18.4
61.98828	33.5
71.01380	29.5
71.51929	2.0
72.99313	4.3
73.02944	4.7
74.99110	2.0
77.53294	2.2
78.95897	7.5
80.96519	2.6
83.01418	1.8
85.02954	5.8
87.00886	4.3
88.98808	100.0
89.02444	52.5
96.96959	8.0
101.02448	13.2
101.02999	2.3
113.02464	13.6
113.03125	2.2
118.98083	11.3
119.03526	13.1
120.99661	2.2
121.36820	1.8
136.87311	1.7
143.03461	2.9
161.04578	6.3
164.03520	3.0
173.11247	1.8
175.30417	1.7
179.05611	10.2
401.17813	4.5
431.22855	10.9
457.81409	2.3
491.17307	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	491.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03478	1.0
58.30960	1.1
59.01377	100.0
60.01727	2.1
61.98824	12.3
71.01381	8.5
71.52099	1.5
73.02951	5.8
85.02945	3.1
87.00887	1.6
87.50875	0.9
89.02456	9.1
101.02438	8.3
113.02420	3.9
119.03477	3.6
125.02279	1.0
142.54253	1.3
149.02406	1.9
160.56253	0.9
161.04544	2.2
179.05490	2.6
179.15433	1.1
243.16048	1.4
263.21796	1.2
363.76312	1.1
431.22760	2.8
459.60608	1.4
491.19223	4.0
494.80939	1.2
515.49261	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.6
69.03485	0.5
69.79781	1.6
69.80193	0.6
71.01377	6.5
72.20962	0.5
73.02945	6.5
73.82794	0.4
87.00884	2.4
88.01096	0.4
89.02447	23.3
100.72767	0.4
101.02475	0.5
101.60905	0.4
103.04017	4.9
131.03506	1.5
132.14182	0.4
143.18118	0.4
149.04553	100.0
150.04892	1.6
333.92163	0.4
341.10858	0.5
360.83194	0.4
408.19183	0.5
447.71063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69861	0.6
59.01373	2.1
69.80107	3.9
69.80468	1.4
71.01378	6.7
73.02943	5.2
79.09472	0.6
87.00869	2.9
89.02436	27.9
101.02360	0.7
103.04011	5.1
131.03508	1.1
149.04546	100.0
150.04881	2.2
205.14658	0.7
229.62035	0.7
235.59155	0.8
328.62262	0.7
482.95917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	91.0
60.01682	2.5
61.98817	6.6
71.01387	4.4
73.02950	4.4
75.29823	2.9
89.02440	5.6
96.95985	2.5
101.02451	6.4
103.21323	2.6
113.02431	3.5
116.92870	3.7
124.98849	2.2
139.05630	3.0
139.11292	14.7
181.12291	13.3
181.33226	2.1
183.10258	25.2
187.98418	2.8
199.13420	8.2
219.12186	2.2
225.11331	8.7
243.12355	100.0
244.12662	5.0
244.90456	2.4
371.20593	4.4
382.71719	2.6
431.22684	4.5
447.18762	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01721	1.4
61.97841	0.6
61.98847	1.6
68.99589	4.2
71.01391	2.3
71.52777	0.7
73.02978	0.8
78.65297	0.6
78.91915	2.3
80.91685	7.7
82.95443	0.8
83.01372	0.9
85.02975	1.8
88.98841	1.6
89.02454	1.0
90.98602	1.0
93.03472	3.3
95.01402	1.5
101.02465	1.1
108.02195	2.5
111.08132	0.8
112.98579	3.8
113.02456	1.2
121.02981	2.3
127.37052	0.6
136.01654	3.9
137.02472	2.0
147.08063	0.6
149.04578	1.5
165.12860	3.7
183.13838	4.2
191.05592	0.9
194.05197	0.6
227.07141	32.7
227.12900	3.8
228.07579	2.1
346.30762	0.8
359.17197	1.8
490.34625	0.8
491.21271	1.6
491.28610	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96630	1.1
59.01379	22.2
61.98815	3.9
62.96920	1.0
66.65240	1.0
68.55186	1.1
68.99570	100.0
71.01380	4.0
71.53951	1.3
72.99265	1.6
73.02938	2.3
83.01389	1.3
85.02965	2.4
85.91308	1.1
87.00869	1.2
93.03428	2.3
101.02442	3.7
101.47217	1.3
112.98566	97.6
113.02478	1.2
113.98890	1.4
135.04494	1.6
145.01385	1.1
183.13905	1.6
191.05586	2.8
198.48599	1.2
208.47440	1.1
218.50531	1.0
227.12917	1.2
287.22198	1.6
333.20798	1.5
431.26392	5.8
449.27579	6.7
473.25894	2.1
491.19763	6.9
491.28494	26.5
492.29034	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	491.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
68.99558	5.1
69.65952	3.5
71.01383	4.2
73.02946	1.6
78.95890	1.0
82.95411	1.0
85.02927	2.5
88.93326	0.8
88.98811	1.4
93.03457	0.8
94.98061	0.7
96.96010	3.0
96.96958	1.4
98.20724	1.3
98.92802	0.8
101.02457	2.3
101.06087	6.2
101.06647	0.8
112.98552	6.8
113.02482	1.1
121.02953	34.1
122.03289	1.2
149.04460	1.2
149.51994	0.9
165.12863	1.4
172.70145	0.7
183.13875	8.2
191.05597	1.3
227.07132	24.8
227.12878	4.5
228.07417	1.8
280.38461	0.9
287.22235	3.3
359.16980	2.6
385.04324	1.0
431.26352	3.1
449.27573	6.1
466.38965	0.9
491.21036	2.3
491.28510	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	491.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87417	0.7
51.05025	0.7
59.01384	4.0
61.98592	0.6
61.98833	6.7
67.42593	0.7
71.01369	3.9
71.51712	1.2
73.02941	1.3
75.00881	1.0
78.28610	0.8
81.03468	0.7
81.29456	0.7
85.02940	0.9
88.98770	0.9
89.02429	2.4
95.01391	3.2
96.96010	2.0
99.00887	2.5
101.02425	1.8
110.66766	0.7
121.02937	0.8
123.00880	20.2
123.04514	4.2
134.68509	0.8
138.03218	15.8
152.01157	1.2
153.05568	7.3
166.99850	24.4
167.03505	12.2
168.00143	0.9
169.31042	0.7
173.84085	0.8
181.01486	0.8
182.02205	70.6
183.02608	4.1
187.04909	0.7
191.03494	2.4
191.05486	1.1
195.06638	0.8
197.04544	100.0
198.04880	4.2
209.04576	1.0
280.59174	0.9
293.18195	0.8
329.08789	2.9
359.10110	1.2
417.10577	0.9
447.14825	0.8
491.14072	31.6
492.14600	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10330	0.2
59.01381	5.7
60.21385	0.2
60.70913	0.2
65.70573	0.2
71.01382	0.9
73.02933	0.3
74.36011	0.2
78.95902	2.7
79.95744	2.9
82.10781	0.2
82.58207	0.2
85.02945	0.4
89.02463	0.6
93.03490	0.3
94.53098	0.2
96.01366	0.2
96.96015	100.0
96.96902	4.9
97.30018	0.2
97.95918	0.4
99.04527	0.3
101.02435	0.4
149.04547	0.8
163.11147	0.2
165.12819	0.3
169.70018	0.2
173.08366	0.2
175.28322	0.2
181.12428	0.4
183.13977	1.2
191.05717	0.3
195.66318	0.2
201.11320	0.5
223.76662	0.2
224.12419	0.2
225.11504	0.3
226.11681	0.4
227.12788	1.0
241.66592	0.2
256.83859	0.2
295.07224	0.3
299.18570	0.3
317.19458	0.3
359.16684	0.6
359.20697	0.3
359.24426	0.5
491.20218	0.5
491.27975	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07156	0.5
59.01380	44.0
60.01722	3.0
61.98830	100.0
63.60990	0.5
69.26094	4.1
70.92679	0.5
71.01392	1.3
73.02937	0.7
85.02969	0.7
89.02406	0.8
90.30762	0.5
96.96006	0.7
98.19859	0.9
101.02454	1.3
103.73476	0.5
113.02449	0.6
114.02842	0.5
122.22836	0.5
122.74535	0.4
129.85321	0.5
166.57561	0.5
191.05656	0.6
268.16464	0.6
329.13943	1.0
369.96616	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73124	0.5
58.19210	0.5
59.01381	12.2
61.98811	2.2
62.74442	0.5
65.00340	1.0
69.04841	0.5
71.01373	1.4
71.53639	0.5
73.02946	0.8
85.02921	0.7
89.02450	1.0
96.79292	0.5
96.96001	1.7
101.02444	1.5
113.02421	0.6
114.15034	0.5
132.02179	2.3
135.00868	0.7
136.98788	1.4
147.04533	1.8
163.00401	2.8
164.98251	1.6
165.98994	0.8
170.03584	0.5
181.12343	1.7
182.12653	1.5
182.58200	0.5
183.12840	0.6
191.05569	0.9
198.03160	1.8
214.02672	1.8
225.11229	1.3
226.02800	1.1
227.11595	0.6
236.02522	0.7
241.01454	0.6
242.02148	3.7
243.02795	0.6
244.67018	0.6
255.02966	1.6
257.00760	1.0
267.02963	2.1
269.00818	2.3
270.01660	16.8
271.02402	5.8
272.02905	0.9
282.01694	2.2
284.03271	2.6
285.04044	9.5
295.02448	1.8
298.01178	23.6
299.01895	6.2
299.05359	1.3
300.02606	3.2
312.02744	4.4
312.05963	0.9
313.03510	68.6
314.04141	10.7
315.05103	3.8
327.05115	10.1
328.05841	5.1
329.06641	4.4
343.04581	1.2
358.15863	0.9
359.16220	1.1
455.83588	0.5
473.17819	0.6
476.09537	8.4
477.09927	1.2
491.11917	100.0
492.12222	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	490.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.1
61.98832	100.0
65.92528	0.3
69.42542	1.6
69.42972	1.2
77.28067	0.3
83.21220	0.4
238.75319	0.4
250.22835	0.4
307.96265	0.4
358.80740	0.4
422.04865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62102	0.5
59.01375	5.8
61.98830	100.0
69.36389	4.0
71.01390	1.4
72.91982	0.5
87.68286	0.5
88.98824	1.9
89.02462	2.2
101.02428	0.8
102.42569	0.5
113.02480	0.7
121.50790	0.5
129.15018	0.5
135.16731	0.5
168.10739	0.6
379.13318	0.6
393.60028	0.5
452.85077	0.5
470.17245	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07156	0.5
59.01380	44.0
60.01722	3.0
61.98830	100.0
63.60990	0.5
69.26094	4.1
70.92679	0.5
71.01392	1.3
73.02937	0.7
85.02969	0.7
89.02406	0.8
90.30762	0.5
96.96006	0.7
98.19859	0.9
101.02454	1.3
103.73476	0.5
113.02449	0.6
114.02842	0.5
122.22836	0.5
122.74535	0.4
129.85321	0.5
166.57561	0.5
191.05656	0.6
268.16464	0.6
329.13943	1.0
369.96616	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46477	0.6
55.01855	1.7
55.59383	0.6
57.03437	1.7
59.01377	36.0
60.01695	1.8
61.98827	7.0
64.63126	0.6
69.62039	4.2
71.01379	16.1
72.00905	2.4
72.99307	1.3
73.02956	4.0
74.02471	41.6
83.01372	2.6
85.02940	7.4
86.02508	0.7
87.00865	1.2
89.02432	4.1
91.05513	1.9
95.01379	1.1
96.96021	0.9
99.00874	1.0
101.02430	10.3
108.08183	2.1
111.00906	0.8
113.01183	2.1
113.02438	4.9
116.05034	0.7
119.03476	1.5
147.04515	9.3
152.07173	2.0
159.08510	0.6
161.04544	0.8
164.07159	26.5
165.07518	1.3
166.25262	0.7
178.08716	14.6
186.05527	0.9
196.06114	1.1
204.06581	1.0
222.07642	3.7
225.10822	0.7
235.72749	0.7
266.11917	1.6
328.10391	0.8
359.20792	1.0
375.73978	0.7
384.12967	100.0
385.13345	9.0
446.21240	0.9
490.17120	25.6
490.22919	1.2
491.17538	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	490.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85713	1.1
59.01381	26.6
61.98832	92.9
66.08253	1.2
71.01379	2.9
71.52547	1.8
73.02937	3.0
80.96507	1.8
93.03486	1.4
101.12007	1.1
117.03493	3.1
119.87433	1.0
124.44312	1.1
149.04541	2.0
151.00365	1.5
164.04797	80.7
165.05147	3.1
177.99043	1.9
179.07138	100.0
180.07504	5.7
181.12387	10.3
182.12651	8.0
186.03256	3.9
189.72232	1.3
191.05571	2.4
193.01428	2.6
214.02682	2.7
215.49176	1.1
225.11311	6.1
226.11681	5.3
236.68579	1.2
242.02203	1.5
261.05579	1.3
267.02957	2.1
270.01663	7.5
287.05850	1.5
298.01151	15.2
299.01981	3.0
311.05853	1.5
313.03531	35.6
328.05908	3.6
356.14587	1.3
357.15567	1.7
358.15909	5.9
383.13480	6.8
429.78787	1.3
476.09619	6.4
490.20096	3.9
491.11942	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	21.8
61.98833	100.0
71.01388	3.4
73.02939	3.5
74.11530	1.3
80.96495	1.6
85.02937	2.6
88.73372	1.3
89.02440	1.7
89.69701	1.1
96.96037	6.6
99.04510	1.9
101.02441	3.9
101.20654	1.3
104.74836	1.4
113.02414	1.7
120.99614	3.5
128.03542	1.8
149.04556	3.4
164.04797	65.2
165.05132	2.8
179.07141	77.7
180.07466	3.3
181.12349	1.8
182.12669	1.2
201.11237	2.0
225.11404	1.6
226.11639	2.0
229.08612	1.4
264.18448	1.3
283.01334	7.1
358.16095	1.5
383.13318	7.0
424.99149	1.3
429.02103	1.2
447.09271	1.7
447.22217	3.4
452.06561	1.5
489.26944	5.1
490.20096	2.0
490.27740	6.3
491.28281	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	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44291	0.6
57.35336	0.6
59.01380	100.0
60.01722	1.1
61.98833	8.0
70.18639	2.6
71.01395	3.4
71.01744	0.6
73.02965	0.9
85.02992	1.3
89.02470	1.2
96.68702	0.6
98.20668	0.6
101.02451	2.0
110.16665	0.6
113.02470	1.6
121.04877	0.8
171.40126	0.8
173.00063	0.6
225.15096	0.8
271.69135	0.7
351.30634	0.7
352.54849	0.7
369.19287	2.8
387.20538	1.9
429.21506	1.8
484.30142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.0
57.03447	2.4
58.00583	1.1
59.01380	82.1
60.01694	1.0
61.98817	2.4
64.02237	0.7
69.03456	1.0
69.95793	3.3
71.01380	21.3
72.99307	1.8
73.02950	8.9
78.91888	7.6
80.91671	2.8
83.01388	6.2
85.02955	14.7
86.00086	1.7
87.00874	2.4
89.02443	4.0
93.03463	1.2
94.98081	2.6
95.01400	3.3
99.00883	2.9
99.04513	0.9
101.02446	17.2
113.02459	9.2
117.52498	0.7
119.03503	1.1
125.02450	0.9
127.44330	0.8
129.01962	0.9
143.03494	1.1
154.74825	0.7
159.03015	0.8
161.04524	1.9
173.02403	1.2
181.12340	1.0
191.05605	1.6
220.73318	0.8
250.03069	0.7
267.19656	2.0
285.20712	4.2
345.30167	0.8
411.23709	0.9
429.24896	35.5
430.25275	3.2
447.26022	58.8
448.26425	7.0
471.25955	5.0
489.27075	100.0
490.27463	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	489.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	2.3
59.01377	8.0
61.98814	1.3
70.13931	0.4
71.01400	2.2
71.52257	0.5
73.02946	2.1
73.04067	1.6
78.91888	2.3
80.91659	1.0
82.06608	0.4
82.64446	0.4
83.01396	0.8
84.00925	1.0
85.02937	0.8
93.03439	0.6
101.02438	2.1
112.07658	1.8
113.02408	0.9
116.05059	1.8
116.82089	0.5
118.06674	0.7
126.09258	0.7
129.10342	30.6
130.08736	26.3
130.51350	0.4
131.09050	1.0
139.08830	0.5
141.10339	7.9
143.11899	3.7
146.06123	1.2
153.10316	0.9
154.08711	1.0
158.06107	1.1
159.09306	0.6
160.07693	4.2
161.90004	0.4
168.09018	0.4
169.09854	4.3
171.11389	19.9
172.11739	0.5
186.05597	7.4
187.10878	6.2
188.11264	0.7
198.12491	1.3
203.08308	0.8
218.15561	0.5
230.15425	0.6
242.11865	1.4
267.19653	1.8
273.16086	8.6
274.16409	0.7
276.17200	0.9
290.18796	0.9
317.14890	0.8
318.18140	1.0
334.17673	2.0
335.17902	0.5
445.27661	0.7
447.25885	3.1
489.27155	100.0
490.27484	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	489.234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63698	0.5
54.91535	0.6
54.96942	0.6
59.01377	100.0
60.01706	0.6
60.54079	0.5
63.26534	0.5
69.45563	3.2
69.45990	1.4
71.01390	2.4
73.02943	1.2
76.71936	0.5
85.02970	1.1
85.58832	0.6
89.02463	0.8
98.19909	1.1
101.02451	1.8
113.02498	1.3
129.26842	0.6
134.46805	0.5
138.06882	1.6
149.24286	0.6
153.09206	6.2
161.04601	2.0
166.90501	0.6
201.78947	0.5
206.87364	0.6
225.14944	16.0
225.17108	0.9
226.15315	0.9
258.58035	0.6
324.07831	0.6
369.19077	3.9
387.20395	3.8
403.32217	0.6
429.21198	8.6
430.21677	1.0
458.80179	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70873	0.7
55.01883	1.0
57.03452	2.0
58.04757	0.8
59.01380	100.0
60.01712	0.8
61.98829	5.0
67.01292	0.9
70.14992	3.1
71.01379	30.2
72.99310	1.4
73.02940	8.1
83.01376	2.8
85.02953	12.1
87.00895	3.3
89.02439	7.8
93.03528	0.8
95.01411	2.6
96.96014	6.4
96.96951	1.2
99.00864	3.7
101.02445	18.6
102.01397	0.7
102.62172	0.8
105.80273	0.7
113.02448	13.4
119.03491	2.0
122.03781	1.5
125.02503	1.4
137.02400	1.0
143.03520	2.5
150.03273	1.0
154.37970	0.9
159.02942	3.9
161.04559	34.4
165.88098	0.9
179.05679	1.0
191.05690	2.0
195.06715	2.6
201.52382	0.8
205.03578	1.7
212.34824	0.7
226.16154	0.8
256.71292	0.7
267.15857	0.8
270.04764	0.8
283.15671	2.1
284.15692	1.1
285.16229	1.4
371.31763	0.8
426.22165	0.8
429.21280	16.4
473.20319	1.5
489.10477	1.2
489.16861	1.3
489.23257	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	489.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35069	0.9
57.46890	0.8
59.01379	100.0
60.01705	0.8
61.98829	1.2
62.32922	0.8
69.48540	1.8
69.48940	5.1
71.01369	2.6
73.02931	1.0
81.52114	0.8
83.04987	1.2
89.02438	2.6
95.01366	0.9
96.95992	2.6
98.95587	2.2
101.02437	1.4
101.64449	1.1
108.75079	0.9
113.02447	2.0
119.03522	1.5
120.99663	0.8
139.25090	1.0
196.07256	0.9
264.11163	0.9
267.16080	5.0
278.35199	0.9
287.60886	0.8
357.21036	1.4
369.19199	4.8
370.19754	1.0
387.20059	2.6
429.21094	3.5
452.64127	0.8
475.27917	1.0
489.13013	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71478	0.6
57.03463	0.8
59.01377	100.0
60.01693	0.8
61.42957	0.5
61.98829	1.2
62.32178	0.5
69.73122	3.5
71.01385	4.1
73.02942	7.1
83.01398	0.6
85.02969	1.1
86.42722	0.6
87.00862	0.6
89.02456	1.6
93.03444	0.5
96.08768	0.5
96.15321	0.6
98.20662	0.6
101.02486	2.7
101.03029	0.5
113.02465	1.6
119.03546	0.6
120.99657	1.0
122.99228	1.4
131.03513	0.8
149.04549	0.8
161.58546	0.5
163.11342	2.5
164.04839	0.8
179.07115	0.6
181.12331	38.6
182.12715	2.2
210.97774	0.5
223.13408	1.0
225.11319	13.3
226.11627	0.9
227.06757	0.6
241.14418	0.9
244.56039	0.6
261.05548	1.5
274.08041	0.6
284.03265	0.7
285.04004	1.2
357.15536	10.9
358.16049	1.4
369.19641	0.7
385.18771	0.7
387.20483	0.7
403.19946	1.9
445.20734	10.6
446.21375	1.2
489.19598	9.3
490.20383	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56640	0.9
51.67945	0.9
56.51557	0.8
59.01376	2.3
63.24868	0.8
63.27015	1.1
69.03442	3.0
69.39823	3.7
69.40224	3.2
71.01384	1.0
73.02943	13.5
86.91550	0.8
89.02424	6.4
95.05013	3.2
101.79556	0.9
103.04014	2.7
131.03467	2.4
149.04561	24.9
158.11926	1.0
163.11281	9.2
181.12332	54.5
182.12625	2.9
207.10229	4.0
225.11307	100.0
226.11690	6.1
352.16019	1.2
357.15527	52.0
358.15851	3.7
451.29120	1.0
489.19763	54.9
490.20053	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	13.1
61.98817	2.9
66.09734	0.9
69.03453	2.6
71.01376	2.7
73.02941	9.2
80.96519	2.2
89.01897	1.3
89.02425	7.3
95.05016	2.9
99.04531	1.2
101.02452	1.9
103.04023	1.9
109.06617	1.3
120.99625	3.8
131.03497	2.3
149.04552	34.5
152.80951	0.8
163.11276	9.3
164.04768	1.1
179.07106	1.4
181.12332	47.1
182.12718	2.4
187.96307	0.9
191.05565	1.2
207.10263	2.6
225.11304	100.0
226.11670	5.3
285.04221	1.6
339.14487	2.9
357.15518	55.2
358.15894	4.5
385.02832	0.9
424.56741	1.0
489.19748	36.2
490.20157	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	489.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28077	0.8
59.01379	100.0
60.01715	1.3
69.03462	1.7
71.01390	5.5
71.52417	1.1
73.02953	9.2
73.29546	0.7
79.76682	1.0
85.02959	1.6
86.96837	0.7
87.00868	0.8
89.02448	1.6
90.40407	0.8
101.02473	3.4
113.02457	1.1
113.21744	0.7
120.99687	1.0
122.99297	0.9
126.77274	0.7
131.03546	1.0
161.04567	1.2
163.11307	3.7
181.12337	47.2
182.12675	2.5
188.86879	0.8
225.11298	14.6
225.13316	1.2
226.11699	1.5
241.14458	1.1
244.32408	0.8
261.05545	1.6
267.15753	1.0
285.04266	1.1
357.15479	16.4
358.16019	1.6
369.19412	1.0
385.18546	1.3
403.19614	6.6
429.20883	0.8
445.20731	22.7
445.26663	1.2
446.21445	2.1
489.19666	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	489.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34420	0.3
52.71357	0.4
59.01381	3.5
65.53502	0.4
67.62836	0.3
69.03451	2.5
69.50031	1.2
69.50450	1.5
71.01402	0.5
73.02949	11.7
83.20040	0.4
89.02446	0.5
94.98087	0.4
95.05061	0.5
96.74554	0.4
103.03947	0.5
104.98888	0.4
110.65081	0.4
116.90156	0.4
131.03526	1.1
137.76418	0.5
138.77269	0.4
149.04543	1.6
163.11270	7.8
181.12335	100.0
182.12666	5.3
193.49953	0.4
207.10194	0.6
225.11308	32.6
226.11664	1.7
294.16656	0.4
314.60245	0.4
357.15533	28.9
358.15918	2.9
489.19769	36.6
490.19968	3.4
510.88574	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	5.0
59.01375	3.7
61.98830	100.0
69.91821	6.5
75.31715	1.3
81.03449	15.1
83.05057	2.2
99.04507	2.1
108.78011	1.3
112.59816	1.4
125.02446	32.9
162.86568	1.5
182.22951	1.2
237.06877	1.2
425.29120	27.2
426.29449	3.2
462.37512	1.5
488.30035	1.7
489.23138	1.6
489.31833	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95544	0.9
59.01379	100.0
60.20187	0.9
60.50513	1.1
65.60153	1.1
69.26104	7.3
69.26530	3.2
71.01365	4.4
73.02944	14.4
79.10584	1.1
85.02924	2.5
89.02422	2.4
98.20676	2.5
99.04533	1.3
101.02431	3.4
113.02418	3.0
120.99654	2.4
127.37299	1.0
131.03526	1.2
149.04570	1.2
161.04506	1.7
163.11269	4.7
181.12340	70.2
182.12650	4.8
194.25183	1.1
223.13222	1.0
225.09218	1.9
225.11316	22.3
226.11502	1.5
261.05252	1.2
357.15546	25.3
385.18439	1.5
403.19751	6.8
445.14731	1.8
445.20706	24.2
446.21054	2.2
489.19662	18.4
489.26395	1.1
490.20038	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	487.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95313	1.0
55.01865	1.7
56.56540	1.1
57.03433	3.2
58.00581	1.5
59.01381	100.0
61.98827	2.2
69.03443	1.8
69.18697	1.0
71.01381	59.4
71.52107	1.0
71.52529	2.1
72.99297	3.0
73.02945	26.2
81.03493	1.5
83.01384	7.9
83.05029	3.8
85.02947	11.3
87.00870	3.2
87.04516	1.5
89.02432	10.8
93.03461	4.5
95.01372	2.1
95.05012	2.2
96.95992	2.4
97.02960	2.0
98.95605	2.5
99.00874	2.2
99.04569	1.3
101.02439	18.5
101.06063	2.9
106.06645	2.7
106.92757	1.2
109.02966	7.4
111.00900	1.8
111.04520	27.6
113.02444	10.9
119.03458	2.6
120.99663	14.0
122.03592	1.3
125.02462	2.0
131.03468	2.2
135.04512	3.0
137.02444	4.0
137.06055	1.9
138.03268	7.9
139.00377	1.5
143.03494	3.0
144.50020	1.4
149.04575	1.4
149.06085	2.0
151.04048	1.3
151.07632	1.7
161.04562	4.1
163.11308	1.4
164.04747	2.4
165.05602	2.6
167.07181	1.5
173.04558	1.3
173.06216	1.2
176.08395	1.3
177.05527	2.3
177.09105	1.5
179.07101	2.8
179.10788	1.9
184.08894	1.1
189.09166	7.1
191.05569	3.6
223.13435	1.5
237.14841	1.3
239.16708	1.3
247.13310	3.8
265.14432	41.4
266.14743	3.5
267.15930	2.3
281.13943	1.3
283.15506	12.2
307.15448	2.5
337.16623	10.0
401.69098	1.1
409.18668	2.8
427.19623	20.6
428.20059	2.3
445.20813	18.1
469.20743	26.8
470.20917	2.4
487.21967	20.9
488.21878	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	487.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94133	0.7
55.01877	0.9
58.00601	2.3
59.01380	100.0
59.31842	0.6
60.01721	1.1
61.98833	1.8
69.34389	3.8
69.34815	2.3
71.01382	30.1
72.99335	0.8
73.02949	2.5
81.03459	1.0
83.01392	1.4
85.02958	7.2
87.00882	1.8
89.02446	37.9
95.01408	1.4
96.96024	9.6
97.94812	0.7
98.95598	9.1
98.96268	1.1
101.02445	16.0
107.58021	0.8
113.02461	14.4
119.03504	16.5
125.02486	0.9
131.03522	2.6
143.03519	2.5
149.04549	1.8
161.02515	1.2
161.04585	5.7
179.03500	1.9
179.05646	9.7
191.05626	6.7
194.05861	1.5
196.06366	1.0
203.14456	2.3
209.08197	1.4
221.15552	1.3
265.14401	6.7
382.77222	0.7
383.20810	1.3
427.19760	19.4
428.19846	3.8
487.11337	2.8
487.22086	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01716	1.2
69.32725	3.6
71.01369	2.9
73.02950	3.7
75.00877	0.9
81.03458	0.8
82.58966	0.4
83.01426	0.8
83.05051	1.9
89.02462	1.4
93.28247	0.4
97.81087	0.5
101.02448	3.5
107.05045	0.4
113.02476	1.3
124.77155	0.4
125.02477	0.4
139.07666	0.8
149.04616	0.7
157.08693	0.8
205.12303	3.1
215.67621	0.4
223.13472	0.9
265.14536	1.2
281.81467	0.4
356.20749	2.1
368.28714	0.6
427.19934	1.1
487.21964	0.6
488.25003	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.6
59.01383	4.4
61.25439	0.4
69.00456	0.3
69.42319	3.1
71.01387	3.3
72.91245	0.4
73.02937	3.6
76.10828	0.4
83.05018	0.5
85.02961	1.7
85.40414	0.4
87.04507	1.4
96.96025	0.8
97.02990	0.5
98.19905	0.8
99.04504	1.4
101.02455	0.9
108.02176	0.7
109.02960	0.7
110.84241	0.4
113.02420	0.8
122.03737	58.3
123.04487	2.0
124.05290	1.6
125.06091	0.5
134.03743	2.6
135.04501	1.3
136.05298	1.4
137.06068	1.1
145.05023	0.4
148.05312	1.0
149.06079	12.2
150.06889	2.6
151.07640	7.8
152.08054	0.5
153.09259	2.9
159.04541	0.5
161.04572	0.5
161.09715	0.9
162.06851	1.0
163.07660	2.5
165.05496	0.7
165.09209	0.9
172.04291	0.4
173.09648	0.5
174.06519	0.5
175.11360	0.4
176.08479	2.6
177.09210	2.9
178.10002	0.4
179.10779	3.2
189.09224	1.4
191.09029	0.7
191.10776	13.2
192.11040	0.6
193.08690	0.6
205.08627	0.5
207.10260	2.4
213.09132	0.5
214.09999	1.1
217.12376	2.1
229.12300	3.2
235.13419	4.4
237.11275	0.5
247.13345	1.0
249.11569	0.4
251.12874	11.8
252.13289	0.7
253.14455	0.9
264.13684	2.6
265.14435	23.3
266.14694	1.4
268.13104	0.6
281.13940	1.2
282.14722	21.6
283.15491	100.0
284.15866	6.9
309.17075	1.1
325.16476	0.4
427.19714	13.0
428.20197	1.4
443.19107	0.5
445.20865	2.1
487.21893	3.7
488.22125	0.6
492.29123	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
68.50976	1.1
69.43957	1.2
70.79898	3.2
71.01370	6.1
73.02954	3.0
85.02946	2.0
96.95988	2.5
98.95597	1.8
101.02438	2.1
113.02434	2.6
135.04482	2.0
143.97571	1.2
151.07637	1.9
153.09169	3.6
161.04576	4.7
161.05933	1.8
176.08430	55.1
177.08763	3.1
191.10779	31.0
265.14444	61.8
266.14789	4.3
333.19421	1.3
427.19672	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	487.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28500	0.6
55.01857	1.0
57.03439	3.2
58.00576	1.4
59.01378	21.5
67.01904	0.8
68.99812	1.5
69.03456	1.9
69.36964	1.5
69.37385	3.9
71.01377	30.7
72.01653	0.7
72.99300	5.7
73.02920	1.4
75.00868	23.3
81.03442	1.1
83.05027	0.9
85.02946	28.4
86.03262	0.9
87.00872	10.9
88.98798	1.0
89.02440	9.8
91.03985	0.9
95.01384	8.1
95.05032	0.7
99.00872	11.8
99.04542	3.9
101.02466	0.8
103.00368	3.3
111.00858	1.2
112.01647	1.0
113.02440	39.7
114.02766	1.3
115.00366	2.4
117.01903	2.5
129.01947	2.5
131.03479	0.7
149.04564	0.8
157.01379	1.3
161.13319	2.0
163.14938	9.4
169.23549	0.7
175.02501	4.1
189.03912	1.1
205.07111	2.9
207.05052	1.6
208.99129	2.6
223.08125	1.5
231.05069	2.1
237.14919	11.9
238.15256	0.8
249.06122	30.9
250.06400	1.1
267.07184	79.7
268.07669	3.9
310.98270	0.7
431.82608	0.6
469.20721	1.7
487.21811	100.0
488.22110	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	487.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	5.0
59.01379	39.5
61.98819	4.3
67.01886	3.5
68.99804	3.8
69.03439	3.6
69.18009	6.3
69.18438	7.7
71.01379	32.5
71.05025	15.4
72.34261	1.3
72.99300	3.9
73.02947	4.1
75.00871	13.3
81.03461	1.7
83.01379	3.3
84.02179	1.6
85.02950	37.6
87.00869	12.4
89.02444	7.9
93.03452	3.3
94.19736	1.3
95.01379	9.2
95.05058	2.8
97.06612	1.6
99.00872	8.4
99.04512	4.7
99.80782	1.3
99.92568	1.5
101.02445	3.3
103.00364	4.3
109.06564	2.3
111.00861	3.8
111.08164	3.9
112.01721	2.1
113.02453	45.8
113.03250	2.4
116.92856	6.8
117.01916	2.6
120.99653	17.4
122.99173	1.5
123.08137	3.0
129.01944	2.7
131.03494	1.8
148.05469	1.3
149.04507	1.9
157.01369	2.4
163.14870	4.9
173.04408	1.3
175.02467	2.8
179.10788	2.2
179.14403	22.4
179.85065	1.3
191.05566	2.1
205.07138	11.3
219.13760	1.5
223.13420	29.7
231.04944	1.8
234.27303	1.4
237.14908	9.8
249.06180	23.8
263.07721	15.0
265.14529	1.8
267.04343	2.3
267.07205	47.4
268.07574	2.5
281.05801	2.4
281.08759	29.3
282.09109	1.5
333.97037	1.4
378.78351	1.5
432.37283	1.6
443.22827	1.4
469.20554	1.5
487.21826	100.0
488.22144	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	487.1947
Annotation	Terretonin
Peak:m/z	Relative Intensity
51.21256	0.9
55.29906	0.9
56.88428	1.0
59.01378	61.7
59.81616	0.8
61.98822	3.9
69.40694	2.8
69.41103	4.2
71.01375	13.4
73.02944	3.0
78.95900	26.6
79.95747	1.0
80.02660	1.5
81.03442	3.0
83.05025	9.1
84.02159	2.5
85.02934	2.8
87.00865	1.2
89.01941	1.1
89.02451	15.4
93.03471	1.6
95.04945	1.0
96.95991	2.6
96.96941	2.5
98.19868	1.2
101.02443	11.0
113.02448	6.8
119.03498	5.7
120.99628	3.5
131.03534	1.1
135.08051	1.4
143.03491	2.4
145.20445	1.0
152.98405	2.5
152.99583	37.4
161.04507	3.9
163.11258	5.1
165.12816	4.5
171.00577	3.3
179.05603	3.6
191.05598	2.4
191.10774	2.9
203.14302	1.3
209.11812	100.0
210.12180	6.2
227.03140	3.3
227.12875	14.1
245.04242	1.0
265.14532	6.3
400.15305	1.0
427.19794	9.3
455.16736	17.6
487.19437	76.9
488.19803	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	487.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81694	0.2
59.01378	3.4
59.52533	0.3
62.60160	0.2
66.73601	0.2
71.01382	1.1
73.02953	0.5
85.02950	1.2
87.00887	0.6
89.02486	0.5
90.98595	4.0
96.95992	0.3
98.19804	0.3
99.04523	0.7
101.02454	0.4
112.59303	0.3
113.02434	1.3
120.99654	100.0
121.99981	1.1
122.48508	0.3
179.10803	0.9
190.05238	0.4
191.05605	0.4
214.65857	0.2
223.09753	0.3
263.07828	0.4
281.08786	1.0
439.63995	0.3
443.19019	0.6
487.20193	1.4
487.26297	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87786	0.9
59.01380	6.7
61.28379	0.8
61.98845	1.1
69.03445	3.4
69.32290	1.8
69.32693	6.9
71.01371	4.1
73.02937	6.5
73.57896	0.9
87.00866	2.3
89.02440	19.5
92.68233	0.9
95.05025	0.9
101.74216	1.0
103.04008	4.5
116.92864	1.3
120.99637	1.3
127.69270	0.9
131.03468	4.0
133.10228	1.8
135.11786	11.5
149.04546	100.0
150.04854	2.1
158.73563	1.0
161.09711	6.7
179.10765	52.9
180.11063	2.0
223.09744	14.3
311.15216	1.3
337.12640	2.3
355.13992	26.9
356.14203	1.9
486.83780	1.0
487.18176	51.5
488.18378	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	487.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22081	1.5
56.87292	1.5
57.03451	2.5
57.29050	1.4
59.01381	100.0
60.49262	1.4
68.86208	2.0
69.03433	1.7
69.17482	7.3
69.17909	8.2
69.76016	1.4
70.78094	1.5
71.01382	25.8
73.02960	9.9
78.95889	2.4
79.95735	3.6
80.96518	4.3
83.01383	4.2
83.62708	1.4
85.02946	11.8
89.02433	7.8
93.03449	2.2
95.01384	2.1
96.96026	12.8
98.95577	4.3
99.00858	2.9
101.02450	19.2
113.02459	10.2
122.03724	3.1
123.04523	2.6
125.02452	1.6
135.04523	1.7
138.33165	1.5
146.03708	8.2
157.08813	1.8
159.02991	1.6
161.04517	6.6
161.05948	3.5
164.04826	8.1
179.07115	7.6
191.05580	2.4
191.10762	1.8
195.04802	5.4
195.13899	2.0
265.14447	12.5
283.15408	6.4
307.04688	2.8
316.57483	1.7
357.19131	6.3
401.18054	4.9
427.19629	4.4
443.19223	64.1
444.19666	9.1
469.14246	1.6
487.13983	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	486.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60439	0.9
59.01364	1.1
59.07429	0.8
61.98830	100.0
63.90495	1.0
67.29337	0.9
71.51569	1.5
78.95892	4.9
80.96333	1.8
152.99568	4.0
153.99850	1.0
154.99985	3.6
176.08417	0.9
199.58076	0.9
238.28201	0.9
255.23300	7.2
256.23633	19.1
257.23990	6.4
258.24121	7.5
348.62103	1.0
356.93167	0.9
379.32278	5.7
486.28079	18.0
487.28320	1.6
487.34790	1.1
494.98444	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54596	0.8
61.98829	100.0
71.51637	1.2
125.06078	2.2
184.65417	1.0
379.32126	3.5
486.28452	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01381	100.0
61.98823	1.0
69.03474	0.6
69.44993	3.3
69.45399	1.1
71.01385	13.5
72.99318	0.8
73.02940	5.5
78.13500	0.7
79.95725	3.1
83.01402	1.7
83.05035	0.9
85.02972	2.2
87.00900	1.3
89.02444	15.2
92.38364	0.5
95.01430	0.8
95.95229	4.8
96.96016	46.0
98.20731	0.6
99.04541	0.6
101.02448	11.9
113.02467	7.0
118.98156	0.7
119.03494	7.3
119.04948	0.8
120.99633	1.4
138.06845	0.6
139.07697	1.1
143.03546	2.0
143.23351	0.5
149.04590	1.3
150.03259	0.7
161.04567	4.1
163.04048	1.8
165.09277	1.7
176.08485	1.9
179.05646	3.8
181.05116	3.5
191.05663	0.6
191.10928	0.9
192.11613	0.8
196.07466	3.9
203.14487	2.1
205.12418	1.1
211.09723	1.3
221.15535	1.8
223.13458	0.9
265.11646	1.3
265.14435	11.8
266.14740	0.9
269.04495	2.8
275.02261	3.1
290.04562	2.6
356.20978	0.8
404.67679	0.6
427.19775	11.4
428.20557	1.1
443.19513	1.9
487.13113	17.1
487.21982	3.0
488.13516	1.9
488.22675	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52303	0.3
59.01155	0.3
59.01379	3.5
69.27969	2.5
69.28381	0.6
71.01377	1.1
72.45233	0.3
75.97685	0.3
79.87284	0.3
80.91848	0.3
85.02972	0.8
89.02470	0.4
90.98587	0.6
99.04529	0.8
101.02422	0.7
117.35110	0.3
120.99654	100.0
122.00011	1.8
126.00049	0.4
149.04599	1.3
179.10745	0.6
181.30968	0.4
231.10422	0.5
249.34744	0.4
281.08743	0.4
355.13882	1.0
386.31400	0.3
445.24374	0.4
487.16434	3.0
487.25284	1.3
488.26248	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69919	1.6
57.03440	2.1
59.01378	100.0
59.07251	1.6
59.88651	1.7
61.98830	2.7
67.19238	1.5
69.07995	1.8
69.20935	15.0
74.64236	1.7
83.05028	2.1
86.51643	1.7
109.06590	2.5
135.04561	1.7
146.07404	2.1
149.06059	6.3
163.07652	1.9
187.94722	1.8
189.09187	2.3
189.73680	1.6
221.05719	2.1
235.13286	2.0
248.14191	15.2
249.14801	3.9
250.15257	2.7
251.15565	2.0
271.07181	2.0
387.85248	1.9
427.28320	3.0
441.28958	2.4
467.31741	1.9
485.33273	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54758	0.6
54.16748	0.6
59.01379	100.0
59.85619	0.7
60.01715	1.3
61.98822	1.0
65.78987	0.6
69.78712	3.0
73.74442	0.6
79.51193	0.5
111.00830	0.6
149.06158	0.8
152.04713	0.6
177.47237	0.6
248.14418	0.8
336.34824	0.8
485.32901	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	486.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	2.4
59.01353	0.9
61.98829	100.0
69.28500	2.9
69.28923	4.2
69.29842	0.7
81.03455	7.3
83.01383	1.5
98.19937	1.8
125.02472	4.9
162.94240	1.1
220.00482	0.9
256.23593	1.1
337.57632	0.9
423.31082	24.3
424.31439	4.0
486.27542	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.7
59.01382	100.0
61.98835	15.0
69.31118	24.3
71.01379	16.3
71.05025	10.1
73.02937	6.6
75.00879	9.4
85.02950	7.9
87.04533	3.1
93.03455	4.6
96.96006	4.0
99.04524	3.6
101.02455	7.1
101.06107	5.4
113.02469	9.0
118.91637	3.4
120.99672	29.0
135.00967	2.8
143.10757	5.7
161.04582	7.1
167.14447	2.9
173.04507	5.4
185.11852	5.0
189.97975	2.8
191.05608	6.1
229.14391	4.9
230.14613	3.0
355.23068	3.2
399.23898	9.5
427.27304	3.3
443.24805	6.9
485.25549	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	485.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07189	1.8
53.75373	1.7
57.03443	3.3
59.01380	46.0
69.31739	13.7
71.01382	8.7
71.05006	2.8
72.99287	1.5
73.02963	3.4
75.00871	100.0
75.72793	1.5
85.02948	5.2
85.45984	1.7
87.00873	2.2
89.02451	2.2
95.01392	2.0
99.04539	8.9
101.02459	3.4
104.08410	1.9
113.02442	6.8
116.63919	2.0
120.99656	2.7
157.08710	3.6
160.89243	3.5
161.04572	2.0
173.04549	2.7
240.55777	1.6
247.09787	3.7
311.85898	1.9
352.07751	1.7
353.23175	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	485.2756
Annotation	10,11-Dihydro-12-hydroxynerolidol 3-O-beta-D-2'-acetylglucoside
Peak:m/z	Relative Intensity
53.26988	0.5
59.01378	100.0
60.01709	0.8
61.98824	0.5
66.92739	0.4
70.04444	1.1
70.04839	0.9
75.04659	0.4
98.20010	1.0
109.67597	0.5
137.15152	0.5
212.99390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01718	1.0
61.98825	1.1
65.47158	0.4
67.11615	0.5
69.61452	0.7
69.61861	2.0
71.01361	0.5
72.76992	0.4
83.05081	0.4
92.18351	0.4
96.38310	0.4
103.79898	0.4
135.89722	0.4
138.62854	0.5
140.43153	0.4
144.15944	0.5
149.06042	0.8
159.12741	0.4
190.66396	0.4
248.14227	0.9
271.00760	0.5
295.55096	0.4
314.46213	0.5
485.33652	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	485.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.01382	1.2
61.98820	0.3
70.31584	0.7
71.01393	0.3
71.79252	0.2
71.89552	0.2
85.02968	0.3
87.00874	0.3
99.04524	4.6
102.98569	0.3
117.07819	0.2
119.31707	0.2
120.99654	100.0
122.00042	1.2
159.08302	0.2
163.07632	0.3
164.93066	0.2
175.07632	0.4
187.71030	0.2
207.13766	0.2
209.11745	0.2
215.28552	0.2
223.05809	0.2
233.11800	2.1
237.14978	0.3
263.12823	0.5
299.18564	0.2
300.18869	0.4
323.25681	0.2
412.99484	0.2
485.18427	6.8
485.32050	0.2
486.18640	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.7
60.01696	0.4
61.50537	0.4
61.98805	0.4
69.48279	0.4
69.48594	2.9
71.01370	4.3
73.02927	1.0
75.00886	1.9
80.34589	0.4
81.65247	0.4
85.02927	2.5
87.00877	0.6
89.02443	0.7
95.01373	0.7
97.02950	0.7
99.04523	0.6
101.02436	0.8
101.06080	18.9
113.02461	4.9
120.99653	100.0
121.99965	1.9
137.02449	0.6
143.03528	0.5
159.87949	0.4
163.03932	0.5
164.04785	5.3
168.28224	0.4
179.07104	1.6
181.25822	0.4
182.61737	0.4
266.11569	8.0
266.14191	0.7
279.12482	0.6
281.13925	20.8
282.14288	1.4
323.14865	0.8
341.26935	1.4
425.18304	2.8
443.19342	0.9
447.65625	0.5
465.06451	0.4
485.18890	1.3
485.31250	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	485.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45458	0.9
58.99615	0.9
59.01369	5.3
61.98837	1.6
69.09803	0.8
71.01385	2.1
71.53001	1.0
71.68883	0.9
72.00258	0.7
72.99313	1.4
73.02943	1.0
75.00874	100.0
76.01225	1.0
85.02984	1.2
95.01448	1.1
95.93582	0.9
99.04530	7.0
101.02444	1.0
101.06091	4.7
111.08109	0.9
113.02518	1.0
120.99657	8.0
121.59921	0.7
122.99237	0.9
128.03510	0.9
147.24791	0.9
150.46533	0.8
150.99289	0.9
191.05540	1.6
203.10744	2.1
209.11922	0.9
210.12091	0.9
227.12909	3.0
228.13211	1.5
247.09734	1.6
257.17490	1.4
258.17841	1.3
266.11502	1.3
277.10773	1.1
281.14001	5.1
299.18741	2.4
300.18930	4.0
485.30859	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	485.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.0
59.01378	19.5
61.70219	0.4
67.01902	0.7
68.99824	0.9
69.03458	0.8
69.61575	0.4
70.85370	1.4
71.01383	19.7
72.99309	2.6
73.02960	1.4
75.00871	11.5
80.44173	0.4
83.01395	1.2
85.02953	22.2
87.00875	7.5
87.56212	0.5
89.02444	6.5
89.02947	0.6
91.04034	0.7
93.03440	0.5
95.01389	4.4
99.00879	6.4
99.04542	0.6
101.02444	1.2
103.00381	1.9
105.00188	1.3
107.79568	0.5
111.00906	0.7
112.01678	0.5
113.02454	28.8
114.02836	0.7
115.00378	1.4
117.01956	2.2
129.01965	1.1
131.03545	1.3
135.11906	0.5
149.04546	0.5
161.13341	7.4
175.02466	1.8
191.14369	0.8
207.05096	1.2
216.33316	0.6
217.12241	0.7
231.05070	1.6
235.13365	4.8
249.06134	15.4
250.06586	0.6
267.07199	100.0
268.07535	4.8
331.08234	0.5
415.98853	0.5
441.21039	0.6
485.20212	19.1
486.20355	2.7
499.46335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01110	0.5
59.01379	4.9
61.98813	0.5
69.93593	1.5
71.01384	3.7
71.18278	0.3
72.99342	0.4
73.02934	1.0
73.47432	0.4
74.97576	0.4
75.00877	3.3
83.01384	0.8
85.02944	2.5
87.00870	0.4
89.02442	0.7
99.00903	0.4
99.04528	0.4
101.02430	1.2
101.06081	73.9
102.06424	1.9
106.60260	0.4
113.02466	2.9
120.38250	0.3
120.99657	2.7
137.02435	3.4
163.04008	1.2
164.04790	25.8
165.05138	1.2
179.07138	6.8
266.11578	37.8
267.12003	2.2
281.13934	100.0
282.14301	6.5
425.12067	0.4
449.28955	0.8
485.20325	1.2
485.31403	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	485.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.9
60.99013	1.0
60.99310	14.0
64.54095	0.7
71.01377	1.3
74.57059	0.7
74.99107	1.4
87.00912	0.7
88.98803	100.0
89.02443	5.9
89.99123	1.1
99.04490	2.3
118.98074	5.7
120.99661	0.8
136.06073	0.7
139.01944	0.6
237.65523	0.7
243.39944	0.6
291.13297	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.6
59.56067	1.0
60.99303	15.6
67.10983	0.9
69.31700	5.1
69.32126	3.7
71.01380	2.0
74.54226	0.9
85.02950	1.5
87.00904	1.3
88.78329	1.2
88.98803	100.0
89.02438	7.8
89.99113	1.3
90.98598	6.3
96.36059	1.0
99.04504	2.1
101.02453	1.1
101.06073	1.8
120.99660	16.6
122.00007	1.6
122.99245	4.2
249.81911	1.1
275.09207	1.8
281.14090	1.5
282.40234	1.1
293.10510	2.0
401.80655	1.1
485.14661	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13276	0.4
52.29532	0.4
52.97606	0.5
59.01378	4.7
66.48590	0.4
71.01380	1.5
73.02939	0.6
77.17526	0.4
79.93913	0.4
85.02956	0.7
87.00908	0.5
88.98826	1.1
89.02422	0.6
90.98678	0.4
99.04543	0.9
101.02425	0.7
113.02458	1.3
120.99659	100.0
121.99963	1.4
136.91675	0.5
140.13873	0.4
169.18689	0.4
263.16376	0.7
267.07217	2.7
407.24246	0.5
411.30640	0.5
424.30127	0.4
465.73276	0.6
485.24161	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	485.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72005	0.4
59.01369	1.7
61.98819	0.9
63.51486	0.4
71.01380	0.4
71.51982	0.5
71.52374	0.5
76.88152	0.4
85.02947	1.5
90.98597	2.9
97.92677	0.3
118.98176	0.8
119.15680	0.4
119.94832	0.4
120.99654	100.0
122.00002	1.2
149.04523	0.4
386.42737	0.4
485.14774	8.8
486.15189	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
59.01380	9.0
67.01904	0.6
69.76021	2.8
71.01376	2.9
72.99294	1.1
73.02945	1.0
74.99102	1.2
83.01398	0.6
85.02944	1.4
87.00862	1.2
89.02451	1.4
93.03463	2.7
96.08665	0.5
96.96013	4.3
98.95619	0.7
99.04500	0.7
101.02458	1.1
103.00347	0.7
104.03500	0.5
109.02979	0.5
110.69279	0.5
111.04487	0.8
113.02483	1.0
118.98102	1.1
120.99658	100.0
121.99998	1.6
134.03728	0.5
135.04378	0.5
151.03954	0.6
173.04585	5.2
190.49435	0.5
191.05621	4.0
201.07440	0.6
201.09154	3.2
215.50989	0.5
219.13689	0.7
229.08571	0.7
233.02426	0.5
263.12775	1.0
270.27835	0.5
370.43109	0.5
385.14813	0.6
441.21103	3.6
446.40405	0.6
467.15610	2.4
485.14850	8.8
485.20230	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69500	0.3
59.01373	1.1
69.32127	2.7
79.95736	5.6
80.96519	1.3
92.29265	0.3
93.03469	0.8
94.98093	0.5
95.95234	7.3
96.96011	100.0
97.95969	0.4
105.03474	0.8
122.97554	2.9
133.02969	0.4
134.03766	0.4
136.01677	0.5
150.03220	1.6
150.35316	0.3
151.03998	3.0
161.02438	9.5
162.03104	1.2
165.05626	1.5
173.04555	0.8
176.04784	6.3
177.05428	0.9
179.03494	17.8
180.03922	1.0
181.62025	0.3
191.05611	0.6
191.07140	2.6
194.05830	15.9
195.06407	1.1
209.08183	15.2
210.08514	0.8
216.77916	0.3
224.00612	0.3
233.11679	0.3
258.01932	0.7
263.12881	0.4
270.59921	0.3
275.02298	7.0
299.73700	0.3
387.40808	0.4
397.09497	0.5
408.76208	0.3
427.30771	0.3
437.91458	0.3
467.15497	0.5
485.11182	13.3
486.11649	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	485.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48978	0.2
59.01379	0.5
69.34993	0.3
69.35630	1.5
73.02837	0.2
74.99068	0.3
78.62170	0.3
79.95742	5.4
80.96529	1.5
82.32320	0.3
93.03464	0.7
95.95232	8.0
96.96011	100.0
97.95926	0.4
98.19862	0.4
102.97234	0.2
105.03481	0.7
117.03586	0.3
118.98043	0.7
122.87344	0.3
122.97585	1.5
129.44391	0.2
133.02980	0.3
134.03734	0.3
136.01648	0.5
145.03006	0.2
149.06041	0.3
150.03217	0.8
151.04005	3.0
161.02432	9.3
162.03052	1.0
165.05551	0.6
173.04526	0.4
176.04770	6.3
176.07074	0.3
177.05409	0.7
179.03494	16.9
180.03876	0.5
191.05597	0.9
191.07141	1.9
194.05843	16.6
195.06415	1.2
209.08188	12.7
210.08473	0.5
258.01968	0.6
263.22668	0.2
275.02338	3.7
276.02463	0.4
277.10788	0.4
293.40192	0.3
311.09641	0.6
397.09494	0.7
418.39468	0.3
485.11215	15.4
486.11624	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3116
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
59.01376	1.3
83.05036	1.1
125.02482	1.2
131.08656	1.0
136.05270	2.1
137.02435	1.2
137.06073	3.4
149.06082	2.8
150.06891	1.5
157.10062	0.9
161.06070	0.9
165.05597	2.3
173.06052	1.2
175.07594	5.6
187.07733	0.9
203.07112	9.6
205.08678	3.6
205.12354	1.1
217.12361	0.8
229.86850	1.0
229.89009	0.9
231.10185	1.1
235.13440	8.9
243.13857	1.3
245.11848	2.2
248.14304	2.0
261.14758	1.3
263.12851	31.1
264.13177	2.3
271.13474	4.7
271.16339	0.9
301.01505	0.9
344.91165	1.0
455.31760	1.2
483.31174	100.0
484.31470	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	484.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95803	0.7
59.01377	67.0
60.01720	4.3
61.98827	100.0
62.54358	0.8
71.51720	1.4
72.56245	0.6
89.43860	0.6
120.64989	0.6
130.32816	0.7
156.09090	0.6
248.14169	0.8
285.56281	0.7
326.50262	0.7
341.56033	0.8
399.77127	0.8
483.28265	2.6
484.27924	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	484.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37467	0.3
57.58535	0.3
61.98829	100.0
62.97813	0.3
65.70125	0.3
69.41485	2.3
74.24727	0.3
78.95900	2.5
96.96040	0.5
98.19936	0.7
117.89206	0.3
140.80270	0.3
152.99576	3.3
153.99951	0.5
161.20605	0.4
227.03313	0.5
255.23277	4.6
256.21121	0.6
256.23627	9.1
326.13620	0.4
399.25351	5.5
400.25580	0.9
416.85712	0.3
483.27356	0.4
484.22809	35.4
485.23007	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	484.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.3
59.01385	9.0
61.98826	11.7
63.56337	1.1
66.51874	1.1
68.81953	1.1
69.22336	5.2
69.22759	5.8
71.01370	2.8
71.05019	17.3
72.94203	1.1
73.02939	1.6
79.95691	1.1
81.03442	1.4
83.05029	3.6
96.08195	3.1
96.95995	2.8
97.06593	3.1
98.41286	1.1
99.00846	1.4
99.04517	3.3
109.06570	1.3
110.06108	4.6
111.08170	3.0
113.09718	1.8
114.09249	3.1
115.07645	21.2
120.99657	46.2
122.06104	6.7
122.99288	1.7
125.09701	2.5
127.11217	2.0
135.04477	1.2
137.39581	1.1
138.09248	1.5
140.10791	3.0
155.14322	2.2
163.11256	1.7
165.11595	1.8
165.12845	21.7
169.12308	4.4
183.13867	11.2
195.17555	5.4
209.11781	19.2
211.17038	10.0
213.18634	6.2
227.12875	67.4
228.13196	3.2
232.20627	1.9
235.13396	1.6
236.13792	1.3
237.18622	1.7
239.16492	5.3
245.13954	3.8
250.21593	1.5
255.15976	2.2
257.17596	26.9
258.17889	1.6
281.17581	4.6
294.20691	1.5
296.14917	2.5
299.18619	100.0
300.18942	6.9
306.20688	9.6
324.21771	19.6
325.21967	1.3
331.16629	1.4
338.19684	1.4
342.22830	1.6
350.19421	1.3
410.28571	1.8
454.27847	2.0
484.29352	7.7
485.18378	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	484.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07496	1.5
61.98829	100.0
64.97270	1.4
65.68878	1.5
72.66367	1.6
77.16488	1.7
81.03462	4.0
84.82789	1.6
88.62221	1.5
89.48861	1.7
113.63038	1.5
125.02446	2.3
182.94978	1.6
229.76434	2.3
279.56750	1.7
292.61203	2.0
421.33252	9.3
485.28397	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	484.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
69.18027	2.7
83.63947	0.3
93.91994	0.3
98.20722	0.5
181.62056	0.3
328.21671	0.3
337.30969	0.3
377.34302	1.7
421.33224	5.5
422.33533	0.5
485.27914	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.6
64.69358	0.3
70.08686	0.3
70.80167	0.3
70.80470	0.8
71.01378	0.7
75.49989	0.3
78.95857	0.4
79.95733	11.1
80.96516	2.0
87.00898	0.4
93.03468	0.9
94.98072	0.8
95.95229	7.2
95.95818	0.6
96.96008	100.0
110.52632	0.3
110.97550	1.0
118.97133	0.4
122.97570	5.9
123.39412	0.3
134.03737	1.0
135.04488	1.0
136.01653	0.7
145.02956	1.1
146.03732	22.1
147.04236	0.8
149.02577	0.3
149.06102	0.5
153.11632	0.3
161.06071	7.3
162.06267	0.3
163.03967	0.9
164.04787	14.5
165.01920	2.5
165.05113	0.7
166.02635	0.5
167.03534	0.5
173.04552	1.2
174.06847	0.4
177.01947	1.7
179.07117	15.6
180.04214	2.0
180.07445	0.7
191.05608	2.2
192.04300	0.7
193.05017	0.9
195.06676	1.5
207.06584	0.4
225.07677	1.0
288.03110	1.4
305.03326	15.2
305.68970	0.3
306.03745	0.8
311.11597	0.5
359.60611	0.3
467.15402	0.9
485.11212	33.7
486.11588	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	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27851	0.5
78.95903	17.1
83.82766	0.4
89.46953	0.5
90.49170	0.5
96.96973	1.1
152.99586	29.6
171.00673	1.2
201.94768	0.5
227.03275	4.5
228.99460	0.5
245.04282	1.6
254.95435	0.5
255.23279	100.0
256.23605	7.9
391.22589	0.6
463.18842	0.6
483.27277	52.9
484.27563	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	483.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53063	0.6
59.01370	1.9
61.98816	0.8
90.57024	0.7
91.70917	0.7
98.20639	2.0
99.00880	0.7
101.58466	0.7
122.03696	1.0
133.06320	0.7
134.03745	3.4
135.04517	7.8
136.47717	0.7
148.05301	5.0
149.06082	24.7
150.06874	9.4
163.07619	2.8
231.13884	0.7
233.15501	2.0
247.13409	1.0
248.14156	100.0
249.14598	9.8
457.96500	0.7
465.29941	0.7
483.31668	10.4
484.31879	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02703	0.5
57.03439	0.5
59.01379	100.0
60.01709	0.9
60.53999	0.5
61.98829	0.7
69.61448	1.0
69.61858	2.4
71.01381	0.6
78.51910	0.5
91.56958	0.4
93.41949	0.5
96.08202	0.8
98.19955	0.7
111.00909	0.6
122.03755	0.6
142.76495	0.5
149.06134	0.8
160.88770	0.5
211.15306	1.0
235.13445	0.8
248.14279	0.6
401.24936	0.5
483.27509	7.0
484.28104	0.7
491.64972	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.26
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.75695	0.3
60.01708	1.3
61.98832	0.7
69.31755	3.5
71.01365	0.6
74.68965	0.3
85.02982	0.4
98.20628	0.6
110.80845	0.4
115.73547	0.4
169.12410	0.8
185.11888	0.7
235.13513	0.4
245.13969	1.0
252.15913	1.0
351.15778	0.4
483.28607	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	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09108	0.4
60.73550	0.4
69.22874	3.4
69.23277	1.2
78.95904	18.2
82.27244	0.4
86.66693	0.4
96.24694	0.4
96.96964	1.3
103.84603	0.4
125.88554	0.5
152.99586	28.7
153.99968	0.6
171.00690	1.5
193.79347	0.5
227.03253	4.6
245.04326	0.9
255.23277	100.0
256.23608	6.8
391.22412	0.7
397.38922	0.4
483.27274	47.2
484.27615	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	483.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87172	0.4
51.98515	0.3
58.64309	0.4
59.01378	2.0
60.99298	0.8
61.98822	0.7
67.62659	0.5
69.21442	2.4
69.21851	1.0
71.01371	0.6
78.95913	1.4
87.00853	0.5
88.98803	6.8
99.04522	1.1
102.98594	0.8
115.63541	0.4
120.99654	100.0
122.00003	0.9
152.99574	1.3
166.10092	0.4
183.58592	0.4
213.57545	0.4
252.46962	0.4
281.93066	0.4
351.21805	1.0
385.72406	0.4
430.80740	0.4
483.23578	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.8
61.98820	0.8
69.42932	3.0
71.01373	0.9
75.00874	0.5
81.95291	0.7
96.96014	1.3
98.95596	1.1
99.04520	7.9
102.98589	0.5
103.00362	0.5
109.52916	0.5
119.76853	0.4
120.99655	100.0
122.00046	0.9
137.68457	0.4
139.26639	0.4
153.35406	0.4
174.41878	0.4
189.05739	0.4
439.15054	1.6
444.60397	0.5
452.85913	0.5
455.26498	0.5
482.28674	0.8
483.16772	0.7
483.28607	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15338	0.2
59.01363	0.8
65.38284	0.2
71.52084	0.3
73.02937	0.3
73.23969	0.2
74.02487	0.2
79.95734	3.6
80.96529	1.9
85.02943	0.5
88.04076	0.2
93.03431	0.5
93.97265	0.2
95.94679	0.3
95.95241	3.6
96.96009	100.0
97.95936	0.3
104.03544	1.2
121.02929	0.2
123.00843	0.3
123.04514	0.4
135.04541	0.3
136.07936	0.2
137.02411	0.5
138.03247	0.5
146.03719	2.0
149.02463	0.5
150.03253	0.4
153.05579	0.5
159.38785	0.2
161.06068	0.4
163.03925	0.2
164.04816	1.2
165.01917	1.1
165.05574	0.8
172.35732	0.2
173.04572	0.3
177.01923	2.5
177.05536	0.2
179.03502	0.3
179.07120	1.3
180.04268	1.8
191.03729	0.3
191.05589	1.0
192.04260	3.4
193.04948	0.7
193.17883	0.2
195.06627	2.1
207.06612	5.4
208.03807	0.4
208.06853	0.3
223.06146	0.6
244.00455	0.2
245.01186	1.5
273.00662	0.3
275.02313	3.5
276.02658	0.2
303.01752	0.7
403.13824	1.2
483.09552	3.0
483.15945	0.2
484.09961	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96884	0.4
59.01105	0.8
59.01380	9.7
59.01867	0.4
61.98839	0.7
64.70524	0.4
69.84604	2.3
71.01382	0.8
71.05044	0.7
81.84882	0.4
89.02434	0.5
89.32478	0.6
99.04527	1.5
101.02477	0.6
102.98596	1.1
113.02491	0.8
113.99747	0.4
118.98022	0.5
120.99655	100.0
121.99976	2.0
128.59378	0.4
149.06108	0.5
156.31876	0.4
165.12813	0.7
167.74350	0.4
169.12355	1.0
175.38081	0.5
189.09296	0.5
209.11760	0.7
227.12990	0.9
235.13397	1.3
245.22328	0.5
299.18744	0.9
364.37564	0.4
421.75214	0.5
483.16971	1.7
483.28214	1.2
484.29071	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2805
Annotation	Pierisformoside B
Peak:m/z	Relative Intensity
59.01073	0.9
59.01378	16.4
71.01384	19.1
78.51487	0.9
78.95898	1.6
80.75049	0.8
82.90279	0.8
83.31465	0.8
87.00874	1.4
89.02438	24.6
92.65532	1.0
98.19838	1.6
101.02434	5.0
112.96042	0.9
113.02442	5.3
119.03505	3.0
139.50053	0.8
143.03525	1.6
152.99548	2.6
153.12926	1.4
153.49272	0.8
161.04622	2.4
179.05618	11.7
245.04305	1.7
301.21695	100.0
302.22031	11.9
385.67389	1.0
481.25894	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	481.2958
Annotation	Kuguacin F
Peak:m/z	Relative Intensity
57.03452	1.3
59.01361	1.9
61.98834	1.3
71.52460	0.8
83.05029	4.7
85.02966	2.6
98.19913	2.7
100.60028	0.7
102.48463	0.9
113.02467	3.5
117.79015	0.8
122.03761	2.3
133.06552	0.8
134.03752	3.3
135.04561	3.9
148.05345	2.0
149.06084	24.4
150.06914	4.1
160.05333	1.4
161.06075	1.9
163.07631	1.2
174.06964	0.8
175.07664	2.9
175.11230	4.6
176.08380	2.9
185.06056	6.2
189.09180	4.8
190.10005	7.0
191.10327	1.0
203.07135	22.6
204.07465	1.6
211.07794	1.0
229.12280	0.9
230.13225	2.6
231.13785	1.2
233.15427	6.1
235.13464	1.0
245.04202	0.9
247.13380	1.2
248.14166	27.6
249.14697	3.1
354.18375	3.5
405.24463	2.3
423.25461	5.3
451.29126	1.0
453.30298	1.7
463.28568	3.6
466.27533	1.3
481.29669	100.0
482.29971	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	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56450	1.2
69.47662	5.7
69.48084	3.4
74.29559	1.3
78.95901	48.6
79.83429	1.2
96.96970	4.8
98.20660	1.7
110.93185	1.5
150.98024	1.5
152.99593	100.0
171.00652	20.0
227.03255	10.1
245.04301	84.4
246.04707	2.8
253.21706	57.7
254.22107	4.4
481.25714	95.3
482.26169	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	481.2805
Annotation	Pierisformoside B
Peak:m/z	Relative Intensity
57.25600	0.8
59.01376	8.2
61.35757	1.1
61.98844	7.6
69.51685	6.5
71.01374	1.6
78.95869	0.9
81.03442	2.9
85.02950	0.9
93.03492	1.4
101.02448	6.2
107.98561	1.1
139.07652	2.2
149.06038	3.2
150.06834	1.0
160.84215	1.9
161.04536	1.9
162.83885	5.8
175.07632	1.1
189.09126	1.4
203.07109	1.2
233.15523	1.5
248.14108	5.5
285.22650	1.1
319.22769	100.0
320.23178	9.1
481.07193	1.4
481.14526	2.1
481.19849	2.2
481.25021	4.8
481.29694	6.3
482.06540	2.4
482.28375	2.2
482.35104	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	481.2803
Annotation	Pierisformoside B
Peak:m/z	Relative Intensity
53.74615	0.8
58.00583	1.1
59.01382	15.3
71.01382	15.2
71.51585	1.0
73.03007	0.8
78.95895	1.9
84.03149	1.0
85.02961	1.2
87.00888	1.0
89.01933	1.9
89.02442	22.9
93.55300	0.9
101.02438	3.7
106.22647	0.9
113.02443	3.4
119.03495	2.8
131.03531	1.6
143.03513	1.5
152.99593	2.3
161.04471	1.4
179.05617	10.2
245.04259	1.9
253.21712	1.9
255.23254	2.2
301.21704	100.0
302.22070	9.0
409.87854	1.0
481.25586	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	481.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33809	0.4
58.49155	0.4
59.01379	100.0
60.01706	0.5
61.98841	0.7
68.74437	0.4
69.31956	3.0
71.01388	0.4
71.05077	0.4
96.08192	1.0
161.19478	0.5
165.12807	0.7
180.30904	0.4
183.13956	1.1
184.82254	0.4
209.11771	0.8
210.15047	1.4
227.12907	1.2
248.14240	0.7
283.10019	0.4
361.41986	0.5
418.54910	0.4
481.30505	0.5
482.27579	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
68.28865	1.2
68.71938	1.3
69.98096	4.9
69.98499	2.5
71.57394	1.2
78.95905	60.7
85.03329	1.4
96.96958	4.5
98.19999	1.7
119.41590	1.8
119.83714	1.2
149.24422	1.2
152.99586	89.6
153.99911	2.5
171.00644	23.6
227.03314	7.3
245.04309	100.0
246.04651	3.9
251.50749	1.7
253.21730	66.3
254.22064	6.1
419.20508	1.6
481.25726	71.0
482.25974	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	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.7
59.01363	2.8
60.64494	0.9
60.99298	4.8
67.01892	14.0
69.03461	4.5
70.13178	2.6
71.01360	5.8
81.03456	2.6
83.04997	2.0
86.86629	1.0
87.00877	23.7
93.03458	100.0
94.03781	1.9
98.20000	1.2
99.00877	1.8
99.04526	1.6
109.02940	1.7
111.04536	14.8
113.02419	1.9
129.01930	2.6
133.02953	2.6
134.03766	8.7
135.04486	2.6
137.02406	1.6
143.03423	1.6
155.03497	3.6
173.04536	58.7
174.04817	1.2
177.01903	1.5
178.02721	7.5
179.03462	2.2
191.05522	1.6
255.27547	0.9
308.08890	1.2
352.07962	1.8
449.14551	48.4
450.14783	5.5
481.17075	21.3
482.17801	1.7
496.17529	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.9
59.08500	0.5
60.99311	1.2
61.98820	1.0
67.01881	2.3
67.30739	0.5
69.03461	0.9
70.13654	1.0
70.14066	1.5
71.01384	2.3
76.11495	0.5
81.03465	0.5
83.05013	1.0
85.02954	6.4
87.00871	5.5
93.03459	19.1
94.03786	0.7
99.00925	0.5
99.04548	0.5
109.02954	1.6
111.04529	3.2
122.40969	0.5
123.83958	0.4
124.16747	0.5
127.04004	1.5
137.02338	0.5
143.03516	0.5
155.03539	0.8
159.04536	1.6
172.05275	0.9
173.04559	10.9
173.06041	1.1
187.04062	0.6
187.07625	6.4
191.05605	100.0
192.06058	3.1
200.04767	0.8
202.06329	3.4
203.10701	0.9
213.09154	3.1
215.07330	0.6
228.04285	0.9
231.10260	6.1
232.10713	0.7
242.35071	0.5
257.08221	11.1
258.08243	0.6
275.09222	5.2
307.11887	1.7
322.18854	0.5
349.18857	0.6
449.14465	12.4
450.14844	1.3
481.17331	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84146	0.2
56.78190	0.2
57.03443	1.7
59.01383	2.8
60.99305	5.0
61.16066	0.2
65.03947	0.7
67.01890	15.2
69.03458	3.8
71.01385	5.2
71.05018	0.4
72.99293	0.4
73.02940	0.6
78.95901	0.3
79.95728	0.3
81.03458	2.6
83.05026	2.3
85.02953	1.2
87.00334	0.7
87.00876	17.7
93.03458	100.0
94.03802	2.6
96.96014	5.6
97.02943	0.6
97.06595	1.3
99.00876	1.7
99.04525	2.3
101.02448	0.7
103.00348	0.7
105.90182	0.3
109.02981	1.4
111.00917	0.4
111.04519	14.7
113.02441	1.8
115.04018	1.1
116.92863	0.3
118.98093	1.7
129.01971	2.3
133.02946	1.3
134.03741	22.1
135.04587	2.5
137.02455	2.3
143.03505	0.9
155.03497	4.4
162.03235	0.6
173.04541	84.8
174.04846	2.5
177.01930	1.1
178.02702	4.0
179.03416	0.7
183.16385	0.3
191.05640	1.3
193.99390	0.3
228.29227	0.3
231.10316	0.8
260.99249	0.3
275.02203	0.7
275.09268	1.4
289.11017	0.3
303.08264	0.3
307.11853	4.7
343.56946	0.3
349.20303	1.0
449.14523	10.6
450.14786	1.2
481.17108	38.1
482.17474	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04228	0.5
54.27283	0.5
57.03450	1.3
59.01382	2.6
60.99308	4.4
61.98814	1.6
65.03969	0.5
67.01887	14.0
69.03459	3.8
69.72264	0.8
69.72676	1.7
71.01379	5.8
81.03452	2.4
82.67892	0.5
83.05013	1.7
84.95107	1.8
85.02950	0.9
87.00877	18.9
93.03455	100.0
94.03799	3.3
96.96017	1.3
99.00880	1.5
99.04516	2.3
101.02436	0.9
109.02979	0.7
111.04520	13.8
113.02443	2.1
115.04044	0.6
115.91263	0.5
129.01930	2.4
133.02979	2.3
134.03743	10.7
135.04523	4.3
137.02408	2.3
143.03511	1.2
155.03526	3.7
156.04858	0.5
162.03271	0.7
173.04539	60.6
174.04858	2.0
177.01863	2.0
178.02716	8.3
179.03391	2.1
191.05592	1.4
231.10226	0.5
275.09174	1.4
308.09091	1.0
351.07126	0.8
352.07660	1.7
449.14514	35.5
450.14859	4.8
481.17102	23.4
482.17429	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
59.01381	3.7
60.12709	0.7
60.99302	2.6
64.90565	0.6
67.01557	1.2
67.01889	10.8
69.03454	3.3
69.35400	5.1
70.40608	0.6
71.01391	4.9
81.03453	2.8
83.05023	2.2
87.00876	12.1
93.03457	75.3
94.03821	1.1
99.00867	1.2
99.04507	2.1
109.02970	1.5
111.00851	0.7
111.04512	12.2
113.02458	1.9
129.01987	1.3
133.02950	3.7
134.03751	9.5
134.39691	0.6
135.04556	5.0
137.02448	6.5
137.71840	0.6
155.03505	5.6
173.04543	100.0
174.04921	3.3
177.01912	2.2
178.02704	12.4
179.03477	1.9
179.09521	0.7
180.85677	0.7
191.05602	1.6
231.92416	0.6
246.33037	0.7
267.19574	0.6
275.09357	2.3
307.11880	1.0
308.09082	0.7
351.07187	1.1
352.08014	1.7
449.14526	31.6
450.15067	3.3
462.46237	0.9
481.17001	8.4
482.17358	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09381	0.5
55.92904	0.5
59.01374	2.3
60.59300	0.5
61.98822	0.6
63.74968	0.5
69.83242	2.9
71.01365	0.7
73.02946	0.6
81.03465	0.7
83.05021	1.7
85.02948	1.0
87.00855	1.2
87.30889	0.5
90.70280	0.5
93.03461	5.4
96.96014	1.7
97.06588	5.0
98.20016	0.7
99.04518	0.6
102.05632	0.9
104.03544	2.2
105.03442	0.7
106.04244	0.5
106.94316	0.5
111.00911	0.5
111.04522	3.6
118.98022	1.1
133.02945	5.1
134.03737	100.0
135.04575	7.4
137.02432	2.1
139.04013	0.9
155.03484	4.4
172.37659	0.5
173.04556	8.6
177.01936	6.2
178.02701	20.9
179.03291	1.8
187.07692	0.6
191.05618	8.6
196.87599	0.6
231.10172	3.7
232.10593	0.6
275.09232	6.2
307.11850	93.4
308.12213	7.6
435.05252	0.5
449.14514	1.9
481.17026	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	481.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58090	0.4
59.01379	4.9
61.98824	0.8
64.09671	0.4
69.48113	2.7
71.01372	1.0
79.95747	0.4
81.03428	0.5
84.71120	0.5
85.02916	0.5
87.00863	1.3
93.03454	1.0
96.96006	2.2
99.04504	3.3
102.98610	0.6
107.72343	0.4
108.65709	0.4
113.02457	0.7
118.97973	0.4
119.06721	0.5
120.99654	100.0
121.99960	1.3
137.09714	0.8
173.04491	0.7
173.09828	0.5
179.07175	0.5
191.05605	0.9
235.13457	0.9
261.15070	0.6
297.17197	0.5
300.79819	0.4
332.29190	0.4
449.16245	0.4
481.15146	3.8
481.21228	0.5
481.25146	0.6
482.15970	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03486	0.4
59.01376	2.6
61.98822	2.3
64.54239	0.4
67.01904	0.4
69.03471	0.4
70.03523	1.7
71.01379	1.9
83.05029	0.7
84.20401	0.4
85.02948	8.1
87.00871	2.0
89.02470	0.7
89.12621	0.4
93.03452	4.4
94.03841	0.5
96.96028	1.0
99.04546	0.4
101.02422	0.6
109.02943	0.9
111.04514	1.5
113.02336	0.5
116.13369	0.4
127.04002	2.1
155.03546	0.5
159.04482	0.9
173.04521	2.3
173.05954	0.7
187.07619	2.5
191.05600	100.0
192.05974	3.6
201.11255	1.1
202.06314	0.6
203.10789	0.8
209.11864	1.7
209.47679	0.4
210.03271	0.6
211.04012	0.6
212.04845	0.7
213.09181	1.4
227.03416	1.0
227.12880	0.6
228.04239	1.7
229.05025	2.3
230.05664	0.5
231.06438	0.4
231.10239	2.1
257.08310	0.4
260.06879	1.9
275.09250	6.9
276.09717	0.5
289.10733	5.0
290.11133	0.7
307.11917	1.1
317.57019	0.4
320.13297	0.7
386.53702	0.4
405.04990	0.4
449.14401	1.3
472.73917	0.4
481.17184	1.7
481.26675	1.7
482.18304	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52270	0.2
71.57090	0.1
78.95902	5.4
80.43698	0.1
81.03439	0.2
91.88646	0.1
112.37044	0.1
134.46310	0.1
149.06099	0.3
150.06702	0.1
152.99634	1.0
153.99992	0.1
168.04301	1.2
171.00584	0.2
224.06923	1.0
237.22060	0.2
242.07971	2.3
245.04312	0.3
246.04668	0.2
248.14140	0.6
249.14583	0.5
252.20522	0.2
253.21680	0.3
255.23280	100.0
256.23627	7.5
256.26370	0.3
380.99561	0.1
480.25403	0.3
480.30966	7.0
481.31274	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.0
59.01379	3.0
61.98824	5.8
69.03448	6.4
69.49724	12.2
71.01366	4.1
83.01393	2.1
95.01392	14.6
106.04260	2.3
149.06076	6.5
189.09241	1.9
248.14137	7.5
249.14763	2.9
279.26953	13.0
293.24854	3.3
317.21149	5.4
318.21719	2.7
321.27988	24.2
322.28329	3.2
331.30090	6.5
357.27896	6.0
363.29007	14.7
375.29004	85.0
376.29391	9.8
396.64075	1.9
407.28012	49.2
408.28217	5.4
419.28009	100.0
420.28378	15.5
423.21588	2.4
425.39478	2.1
480.25275	8.8
481.30249	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	481.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60371	0.7
59.01380	9.3
61.98829	2.8
69.34833	1.9
69.35251	4.2
71.01379	5.6
72.99303	1.3
73.02937	2.0
79.95740	21.2
80.96518	10.1
82.70393	0.8
85.02970	1.4
87.00864	1.8
89.02412	0.8
91.89387	0.7
96.96011	100.0
101.02422	3.7
113.02467	1.9
122.97585	1.0
137.96284	2.1
138.97067	13.7
150.97061	3.2
166.96541	1.4
222.99086	2.4
241.00249	9.8
263.58865	0.7
283.01282	13.3
301.02411	2.3
377.12701	1.5
395.13763	16.2
396.13864	1.1
437.14828	93.0
438.15164	10.5
477.82059	0.9
481.13800	35.7
481.28345	3.7
482.14075	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	480.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
61.98810	0.7
69.18845	1.4
69.19270	1.0
83.05007	0.4
84.16133	0.2
85.96730	0.3
106.27802	0.3
121.02950	0.3
122.03738	0.5
123.39805	0.3
125.02457	0.5
134.03722	0.4
135.04504	0.4
135.08099	0.3
147.08162	0.3
148.05199	0.3
149.06041	1.9
150.06911	0.3
161.06113	0.4
171.04419	0.4
172.05185	0.3
175.07626	0.3
185.06084	0.3
187.03976	0.5
189.09174	0.6
190.75117	0.3
199.04002	0.7
200.04677	0.5
201.05583	0.4
211.07681	0.5
212.08292	0.4
213.05545	1.0
213.09222	0.5
214.06287	0.5
225.05519	1.7
225.09201	0.5
226.06308	2.0
227.07144	2.6
228.07610	0.4
233.15440	0.5
237.05524	0.3
237.09261	0.4
239.07137	4.9
239.10805	0.3
240.07907	7.7
241.08577	1.9
248.14154	2.8
249.14893	0.6
251.07057	1.7
251.10745	0.4
252.07776	0.6
253.08694	1.7
254.09317	0.5
255.06590	0.4
255.10255	1.3
265.08719	2.7
266.09357	1.4
267.10229	2.3
268.10947	0.5
269.11838	0.4
279.10242	0.6
279.13559	0.3
280.07388	0.3
281.11853	0.9
283.09726	0.4
291.10324	0.5
293.11642	0.3
295.09747	0.6
295.13254	0.5
299.12799	1.2
305.12289	0.3
307.13309	0.6
309.11411	0.6
309.14868	0.5
310.11993	0.4
311.12820	0.4
312.13788	0.7
313.14340	0.9
321.15073	0.4
323.12711	0.5
324.13568	1.2
325.14432	9.4
326.15247	2.9
327.15887	1.1
329.31659	0.3
337.14514	0.6
337.18066	0.3
338.15338	0.5
339.15982	22.6
340.16327	2.4
344.12741	0.6
347.16379	0.4
350.15054	0.4
351.16037	1.6
352.16660	0.7
353.17630	1.3
365.17566	10.9
366.17926	1.6
367.19058	0.7
379.19366	0.4
381.17044	1.8
395.18631	0.8
405.20477	0.4
409.20135	3.8
421.20111	3.9
422.20532	0.6
423.21713	12.4
424.22427	7.1
425.22635	0.5
437.23438	0.4
452.25885	0.5
465.22684	1.0
480.25110	100.0
481.24854	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	479.2649
Annotation	Pierisformoside F
Peak:m/z	Relative Intensity
52.86120	0.3
54.21929	0.3
56.16235	0.3
57.16241	0.3
58.00610	0.6
59.01381	16.2
61.98819	0.4
68.40533	0.4
69.29839	0.3
70.21476	1.2
71.01384	7.8
74.13373	0.3
78.95914	0.7
80.66737	0.3
83.01381	0.7
85.02962	2.6
89.02448	8.2
94.48100	0.4
95.01411	0.9
95.21486	0.3
100.25401	0.3
101.02445	7.4
107.22330	0.3
113.02466	4.0
119.03500	3.2
131.03468	0.3
271.09930	0.4
299.20160	48.6
300.20535	4.3
311.22290	0.5
317.21201	1.9
317.24524	0.3
371.10947	0.3
422.82162	0.3
479.26483	100.0
480.26852	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2651
Annotation	Virescenoside P
Peak:m/z	Relative Intensity
57.03444	0.5
58.00598	0.7
59.01380	100.0
60.01727	1.3
69.44748	1.1
69.45154	2.3
71.01379	15.1
72.99325	0.7
73.02945	8.0
83.01404	2.2
85.02946	3.9
89.02443	10.3
95.01392	1.1
101.02448	10.8
113.02450	8.5
113.03175	0.8
119.03487	3.1
124.92496	0.5
125.02447	0.6
131.03558	0.6
143.03520	1.8
149.04610	0.8
161.04610	2.2
179.05635	1.3
276.71982	0.5
292.35715	0.5
299.20193	5.6
300.20587	1.2
361.98584	0.5
406.22528	0.5
419.24353	1.3
437.25610	1.6
439.09653	0.5
479.26520	13.4
480.27075	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51435	1.4
59.01335	1.7
78.95900	63.1
80.14420	1.9
80.96473	1.9
96.96913	6.5
122.03651	3.2
134.03647	4.1
135.04478	1.6
149.06070	17.5
152.99574	100.0
171.00616	16.1
172.85205	1.4
189.09232	14.0
210.96414	6.2
215.10600	5.2
227.03299	8.4
230.12814	4.7
231.13725	2.0
245.04292	71.6
248.14157	41.0
249.14334	3.0
251.20148	52.9
252.20279	4.2
255.23285	41.1
448.17844	1.6
479.08688	3.3
479.23615	70.3
480.23492	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	479.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01715	1.4
61.35254	0.4
67.68427	0.4
70.11978	1.0
70.12388	0.7
71.01374	1.3
73.02945	0.6
73.95685	0.4
78.03671	0.4
83.01399	0.4
84.74582	0.4
84.75143	0.4
85.02983	0.4
87.04516	5.3
89.02443	0.5
98.15129	0.4
101.02451	1.3
113.02493	0.7
119.03546	0.4
131.30292	0.4
138.05048	0.4
156.29179	0.5
182.29007	0.4
186.61345	0.4
255.58870	0.4
365.14624	0.4
479.26248	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01023	0.3
59.01378	100.0
60.01720	0.7
60.20597	0.4
61.98840	0.4
69.66419	2.1
71.01380	0.6
78.30618	0.3
87.04517	8.8
94.35876	0.3
102.60748	0.3
115.92075	0.9
141.26747	0.4
194.43622	0.3
202.65858	0.3
258.72824	0.4
317.21445	0.5
373.09497	0.4
479.26569	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05152	0.3
55.01877	0.5
55.70270	0.3
57.03452	0.4
58.00585	0.8
59.01379	23.3
61.98836	0.4
69.95562	1.5
71.01382	11.6
72.99317	0.7
73.02936	0.4
80.89055	0.3
83.01389	1.1
85.02949	2.5
87.00854	0.3
89.02446	12.0
90.02785	0.4
93.03483	0.4
95.01395	1.2
101.02446	9.6
113.02453	5.4
119.03498	4.5
143.03508	0.5
179.05629	0.4
201.53168	0.3
299.20154	60.0
300.20465	6.4
317.21194	1.3
479.26477	100.0
480.26804	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	479.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
57.03429	0.8
58.00598	1.0
59.01381	37.6
61.98829	52.2
64.61107	0.7
67.70869	0.8
70.51311	0.9
71.00993	1.7
71.01383	15.7
71.51913	1.2
72.99329	1.2
73.02945	4.8
73.94503	0.9
75.00874	13.9
80.66383	0.8
83.01397	2.7
85.02965	6.5
87.00890	1.1
89.02425	4.2
93.28423	0.9
95.01389	1.8
95.39393	0.8
97.02896	1.1
99.00863	2.2
101.02436	12.0
113.02466	7.6
115.03948	0.9
119.03487	2.8
122.03751	1.6
144.04308	2.6
149.06026	1.7
150.06824	1.4
150.36853	0.9
151.07639	3.5
161.04570	2.0
164.08437	0.9
176.08423	8.0
177.12752	1.0
179.07184	1.0
189.09189	1.4
191.05566	2.5
191.10760	4.6
197.08263	1.3
207.10208	1.1
213.14984	1.0
239.12923	3.2
257.13934	2.4
281.13940	16.8
343.37302	0.9
345.14529	2.0
359.13724	0.9
407.25473	0.8
419.19217	100.0
420.19504	9.2
435.18808	1.1
443.19107	2.3
479.16946	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	479.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77059	0.8
57.03445	1.0
59.01380	16.6
61.98827	13.4
69.55049	5.3
71.01379	10.2
71.05002	1.8
72.00903	1.1
73.02936	2.6
73.57897	0.7
74.02469	1.8
75.40955	0.8
76.19456	0.8
85.02962	2.6
87.00864	2.9
88.04016	2.2
89.02449	5.6
96.96011	2.4
97.02956	3.3
97.06627	1.3
99.00875	10.4
99.04501	1.8
101.02434	6.8
102.05624	2.2
104.03530	6.2
108.04549	3.9
110.03664	1.0
113.02433	2.7
119.03480	1.7
125.09702	4.7
127.11268	2.1
129.76573	0.9
132.02983	1.6
136.07677	12.4
149.04626	1.6
150.05588	5.3
161.04478	1.4
163.11267	7.6
173.13181	0.9
173.50873	0.9
181.12343	14.2
183.10249	1.0
189.09172	1.1
191.05608	4.4
197.11815	1.1
199.13390	26.6
200.13617	1.6
207.10251	29.0
208.10609	2.5
225.11314	62.3
226.11635	3.2
243.12346	21.5
253.09210	3.9
255.11295	1.3
257.12897	3.7
299.13974	7.7
317.15942	1.6
347.17212	6.4
461.20242	12.9
462.20322	2.0
479.21277	100.0
480.21683	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	479.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20089	0.7
59.01379	100.0
64.93596	0.6
69.43053	4.3
71.01386	6.3
79.95740	4.0
80.96556	0.8
84.95143	0.7
96.96024	7.8
97.06580	5.1
113.02518	0.9
130.07901	0.7
159.96359	0.6
162.03268	1.1
163.04004	1.5
169.27904	0.6
177.05611	3.0
189.05617	1.0
196.44383	0.7
212.32182	0.6
215.07172	5.6
233.08188	2.3
259.09799	1.5
275.13062	1.0
282.98499	0.7
393.12305	1.6
419.13318	6.6
435.13181	6.5
436.19043	1.0
479.12396	1.6
479.19049	1.2
479.26703	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1694
Annotation	Agastinol
Peak:m/z	Relative Intensity
53.91208	3.8
56.63380	3.5
59.01097	7.5
59.01376	60.7
61.98828	84.0
71.01369	24.9
72.99339	5.6
73.02946	6.7
75.00878	14.2
85.02949	14.1
87.00854	3.7
87.04508	4.6
89.02441	12.9
92.79574	3.8
93.03421	5.0
96.96027	4.5
99.00886	4.4
101.02438	14.4
113.02435	10.6
149.06052	8.5
151.07648	7.8
155.30101	3.7
161.04552	4.5
176.08342	8.6
177.09154	3.7
178.06413	4.0
179.05605	4.9
179.07115	13.7
186.34538	3.5
191.05586	18.5
191.10666	3.8
214.43431	3.9
255.11057	4.3
281.13907	38.2
341.12451	10.6
393.57443	5.1
419.19254	44.9
420.19272	5.0
435.18503	7.3
443.18906	7.7
461.20395	6.2
479.16757	100.0
479.39709	4.4
480.17441	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	479.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.7
69.03455	0.9
69.41984	4.1
71.01386	1.7
79.95750	4.6
80.96539	0.6
83.01350	0.6
83.05022	0.8
85.02976	0.5
85.18275	0.6
87.00872	0.5
88.35474	0.5
93.03454	0.8
95.05054	0.8
96.96001	7.2
97.06590	100.0
98.06940	2.9
113.02451	1.4
117.03488	2.4
119.05001	3.0
135.04495	1.6
145.02950	5.1
147.04509	0.7
150.03256	1.0
161.02409	2.0
162.03227	25.7
163.04010	24.1
164.04398	1.2
165.05579	1.8
165.27255	0.5
177.05571	62.4
178.06339	21.6
179.06699	1.0
191.05609	0.6
241.00134	0.6
275.12897	26.2
275.15906	1.3
276.13281	2.3
283.01425	0.7
322.10400	0.8
340.11621	1.0
364.34787	0.5
382.12674	12.0
383.13074	0.9
393.12299	1.6
419.17029	2.2
435.13370	5.9
436.14514	0.5
437.18591	0.6
479.12491	1.1
479.19434	3.4
479.26181	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59462	0.9
55.01876	1.6
57.03433	1.9
58.00583	1.4
59.01381	100.0
61.98822	2.2
65.22386	0.9
68.91393	0.8
71.01384	37.2
71.01782	1.9
71.52386	0.9
72.89019	0.8
72.99310	1.5
73.02953	8.4
80.86837	0.8
80.91682	8.6
82.95419	3.9
83.01390	4.2
85.02956	12.5
86.36052	0.7
87.00867	2.7
87.04472	0.9
89.02447	19.7
89.39815	0.8
95.01379	2.2
96.96001	2.1
99.00874	3.6
99.04504	4.0
101.01798	1.8
101.02442	26.4
112.98572	1.9
113.02442	14.6
118.98100	1.7
119.03491	7.6
131.03535	1.3
143.03485	2.9
149.04478	1.0
159.02956	3.4
161.04553	23.1
169.12341	3.4
179.05602	5.8
191.05516	1.0
198.78142	0.8
213.11246	2.2
255.19817	2.0
315.17856	1.0
345.15778	1.6
345.22617	1.6
417.24927	42.0
418.25119	3.4
477.23480	2.0
501.94144	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85230	0.5
59.01383	15.7
60.01716	0.9
60.90298	0.5
61.98833	100.0
69.52917	0.9
69.53326	2.7
71.01375	3.4
72.99339	1.1
73.02962	1.3
75.00883	2.1
77.23766	0.6
79.24096	0.5
85.02964	1.4
89.02469	1.3
99.00855	0.7
101.02454	4.3
113.02492	1.2
146.03741	1.1
161.04549	1.3
162.04971	0.7
164.04808	1.6
165.05148	0.6
166.06401	2.6
167.06793	1.8
173.04604	0.6
179.05717	0.7
179.07175	2.4
180.07538	2.1
181.08752	2.8
182.09094	2.3
239.13240	0.6
281.14008	1.6
343.14191	2.5
344.14362	8.0
419.19244	15.3
419.24612	0.9
446.52820	0.6
473.94885	0.6
479.17209	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.294
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
61.98829	0.6
62.35499	0.5
67.54205	0.5
78.95901	27.3
88.04034	0.6
94.98878	0.5
96.95975	0.6
96.96983	1.1
134.03702	2.3
140.01189	4.7
148.05238	0.6
149.06059	8.4
152.99577	4.6
171.00610	3.1
175.07533	0.5
189.09215	7.8
190.56184	0.4
196.03775	9.7
214.04828	2.1
219.38589	0.5
237.81352	0.5
248.14136	18.4
251.20145	0.6
261.87927	0.6
280.23566	0.6
281.24832	100.0
282.25180	8.9
341.87289	0.5
446.66479	0.5
478.29355	30.0
479.29611	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	477.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93799	0.9
59.01381	52.5
61.98830	1.1
71.01376	23.0
71.52311	1.0
72.99326	4.5
73.02937	8.3
78.94460	1.0
78.95884	1.3
83.01361	2.8
83.05003	1.8
85.02949	3.6
89.02429	3.0
93.03448	1.6
97.06594	1.4
101.02437	8.3
111.04551	1.2
113.02421	3.5
113.92610	7.2
120.04681	0.9
120.99568	1.1
122.03701	1.8
134.03688	1.1
135.04482	2.1
146.03574	0.9
148.05280	1.2
149.06078	6.9
150.06598	1.2
161.06053	1.2
162.06790	2.0
163.07584	1.9
171.10271	1.0
173.06017	2.0
174.06828	1.5
175.07643	2.4
176.08475	1.2
177.09178	1.0
181.12549	0.9
188.08237	2.3
189.05707	0.9
189.09189	4.2
190.09958	3.2
191.10667	1.9
197.11871	1.2
200.08339	1.1
201.09155	3.1
202.09857	1.4
203.10680	1.8
211.13362	13.0
212.13728	1.4
213.09233	1.7
215.10686	1.7
216.11552	2.7
217.12346	3.0
228.07889	2.0
228.11397	1.5
229.12257	1.0
230.12888	1.2
231.13953	4.4
232.14401	1.2
241.08560	4.7
242.12991	1.6
243.13803	2.9
244.14572	1.2
248.14142	3.8
255.10236	3.0
256.10928	1.7
257.15421	5.2
258.15872	1.0
259.17007	8.1
261.15051	1.6
261.56619	0.9
266.15219	22.1
267.15521	1.0
269.15460	2.1
271.13379	2.7
271.16724	1.0
272.13980	1.4
273.14893	1.3
274.15668	1.3
276.13486	1.8
287.16544	2.2
289.18094	4.0
290.18411	1.0
297.15021	7.5
299.16483	3.5
301.15134	1.1
301.18079	6.2
302.18555	1.6
304.16702	2.4
309.20554	1.1
315.16180	1.3
315.19498	5.0
316.20291	1.0
317.17740	1.5
317.21170	3.6
327.19525	2.1
332.16547	1.4
342.22150	1.0
345.20520	3.6
355.19113	22.4
356.19492	1.4
358.17719	1.5
373.20157	100.0
374.20526	11.7
405.22751	1.9
415.24533	1.2
417.22842	10.5
418.23389	2.0
433.25916	1.6
435.23724	11.9
459.27151	4.2
477.28928	47.6
478.29437	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	477.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25240	0.8
59.01259	10.7
59.01591	3.7
61.98707	5.0
61.99069	1.4
69.03355	1.0
70.64037	1.7
71.01253	14.4
71.01695	3.2
72.99169	2.4
72.99557	1.0
73.02818	3.2
73.42165	0.6
78.95789	0.8
83.04887	1.3
84.35036	0.6
85.02796	2.8
93.03350	0.9
99.04407	0.9
99.99734	0.6
101.02276	2.5
101.02901	0.9
111.04439	1.2
113.02310	1.1
124.01546	0.8
149.06082	4.9
161.05928	0.9
162.06670	1.9
163.07486	1.7
164.08275	0.8
169.04979	0.9
173.05853	1.5
174.06625	1.8
175.07455	1.8
176.08295	1.6
177.09041	0.8
185.05919	0.8
186.06671	1.0
187.07501	1.4
188.08189	2.1
189.09006	2.6
190.09940	3.3
191.10446	1.3
197.11789	0.6
199.07454	0.9
200.08173	1.0
201.09012	2.0
202.09792	2.0
202.11557	0.7
203.10576	2.1
211.13396	8.3
212.13594	1.3
213.09068	2.6
215.10597	1.5
216.11497	3.5
217.12129	2.7
218.09322	1.1
220.06998	0.6
227.10701	1.6
228.07790	2.1
228.11409	1.8
229.08392	1.3
229.12231	0.9
230.12978	1.4
231.13905	5.6
241.08769	3.2
241.12196	1.2
243.13689	2.5
246.08807	1.9
248.14029	2.7
255.10248	1.6
256.10825	1.0
257.15430	4.5
259.17026	9.2
261.14880	1.5
266.15164	11.8
267.10162	0.8
269.15375	2.0
271.13318	2.5
271.16861	0.8
272.14117	1.0
273.14917	0.7
276.13461	0.9
277.14282	0.8
278.15189	0.8
286.15549	1.5
287.16382	2.1
289.14822	0.8
289.18051	5.2
291.19534	1.0
297.15005	6.7
297.18121	1.0
298.15219	0.9
299.16400	3.1
299.20038	1.4
301.17984	6.5
301.21350	1.2
304.16748	1.2
315.16232	1.1
315.19559	4.3
316.19843	0.9
316.69708	2.3
317.17328	0.9
317.21036	2.9
327.19540	2.0
329.21329	0.9
330.18420	1.1
332.16095	0.9
333.10831	0.7
337.18207	0.9
340.16742	1.3
345.20480	3.7
355.19098	21.4
356.19485	2.4
358.17822	0.9
373.20169	100.0
374.20496	10.9
389.72720	4.3
405.22824	2.7
408.33484	1.0
409.19824	0.9
410.73410	2.1
459.27832	1.5
471.35428	0.8
477.28680	29.5
478.28949	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	476.278
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
59.01371	0.6
60.07325	0.3
61.81531	0.3
69.91592	0.3
70.18911	0.7
78.95901	24.1
79.27178	0.2
91.24308	0.2
93.59834	0.3
96.96938	0.6
122.00117	0.7
140.01181	5.7
152.99580	2.1
153.84866	0.3
166.02734	0.4
171.00523	0.6
182.59845	0.2
196.03790	10.5
208.76074	0.3
214.04897	2.4
261.22083	0.6
279.23270	100.0
280.23633	8.6
280.26724	0.4
428.09702	0.3
476.27805	26.2
477.28027	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06892	0.4
56.65237	0.4
61.33025	0.4
70.84093	1.0
70.84406	0.4
78.95901	100.0
78.99583	0.4
96.96954	7.0
140.01143	1.1
152.99580	17.1
161.81963	0.4
167.80339	0.5
171.00639	17.8
196.03860	0.7
250.48651	0.4
279.23196	5.0
279.25967	0.5
357.47882	0.5
402.24088	1.5
476.27789	58.8
477.28131	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	477.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45175	1.2
59.01380	88.7
61.98835	2.1
70.67106	1.8
70.67463	2.3
71.01378	12.0
73.02949	4.2
75.00893	1.8
85.02953	5.1
87.00871	1.0
89.02454	2.9
101.02454	6.2
113.02467	5.2
119.03478	2.3
121.02958	11.1
133.05090	4.1
157.05087	1.3
159.02940	2.1
161.04556	15.2
166.06354	77.3
167.06676	4.2
169.86340	0.9
181.08701	100.0
182.09061	5.2
235.08220	8.6
417.17664	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	476.278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	0.6
71.00166	0.3
71.00505	0.5
78.00615	0.2
78.95901	12.9
80.98302	0.2
91.53059	0.2
96.96944	1.0
98.10169	0.2
99.04502	0.6
140.01204	1.7
146.25862	0.2
152.99559	1.9
171.00613	1.4
196.03703	1.2
214.02962	0.4
214.04846	2.6
261.22211	0.4
277.89893	0.2
279.23270	100.0
280.23618	8.6
280.26752	0.5
315.15268	0.3
330.12704	0.2
336.22815	0.3
476.27808	12.3
477.28082	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	0.9
59.01379	100.0
60.01723	1.1
66.45528	0.8
70.69212	2.6
71.01382	18.2
72.99303	1.2
73.02941	1.8
75.16861	0.9
79.48697	0.9
83.01389	1.6
85.02972	4.0
85.73570	1.0
86.82489	0.9
87.00883	1.2
89.02448	23.8
95.01400	1.3
96.96030	1.4
98.95606	1.3
99.92584	2.6
101.02440	14.1
113.02437	8.5
115.92085	6.8
116.92854	1.3
117.18282	0.9
119.03488	12.1
131.03471	1.5
135.02940	1.0
136.85231	0.9
143.03529	2.5
149.04599	1.5
161.04517	4.0
179.05611	8.6
217.16197	0.9
264.60052	1.0
281.04810	2.7
343.21304	1.3
415.23495	13.7
416.23410	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
57.03430	0.5
57.05198	0.5
58.00594	0.9
59.01379	100.0
60.01725	0.8
61.98832	2.2
69.03479	0.9
69.50845	3.7
71.01379	27.2
71.15328	0.4
72.99316	1.5
73.02944	28.2
74.03266	0.6
75.00917	0.6
76.54633	0.5
79.95761	0.5
80.82153	0.6
83.01389	8.0
85.02940	6.2
87.00886	1.4
89.02439	11.6
89.02946	0.9
95.01405	1.9
97.02985	0.8
98.20644	0.7
99.00872	1.2
101.02441	26.9
102.02813	1.0
104.85883	0.6
113.02448	17.5
119.03505	4.6
125.02468	0.9
130.05486	0.6
131.03519	3.1
143.03499	2.5
145.01392	1.2
145.89999	0.6
148.65491	0.5
149.04552	3.1
155.03545	0.6
161.04564	7.2
171.10309	0.6
173.04564	0.5
176.46075	0.5
179.05643	2.3
185.11929	0.7
215.90678	0.4
221.06618	0.9
228.56166	0.5
255.02904	1.1
271.02582	1.9
281.13959	1.1
284.03317	0.9
299.05679	0.6
300.02820	3.0
329.16315	0.7
343.21191	3.1
344.21600	0.6
411.93921	0.6
415.23300	5.5
433.24771	2.3
475.08881	1.1
475.25409	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18454	0.4
59.01378	100.0
60.01723	1.1
61.98828	8.8
63.99236	2.1
71.01368	2.6
71.04995	0.5
71.52214	0.8
73.02945	0.7
76.00363	0.4
83.01398	0.4
83.05032	0.6
85.02944	0.9
87.97784	0.4
89.02459	1.6
92.44625	0.5
96.96030	1.9
99.04513	2.3
101.02454	1.7
111.29865	0.4
113.02455	1.6
118.98100	0.7
118.98927	0.4
154.20335	0.4
159.84686	0.5
161.04570	0.8
162.83893	0.5
191.05688	0.9
239.16422	0.5
244.90347	0.5
355.21335	0.6
373.22189	4.0
374.22949	0.5
415.23328	2.7
475.26840	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.8
55.42041	0.5
57.03445	2.3
58.00604	0.7
58.71207	0.5
59.01377	100.0
60.01699	1.0
61.98804	0.5
69.03466	0.7
69.21355	0.5
70.78008	1.5
71.01379	26.1
72.99323	1.3
73.02946	11.7
73.03358	0.7
75.40399	0.4
83.01385	3.5
85.02948	10.6
87.00899	1.3
87.04527	3.6
89.02444	15.7
95.01379	4.1
95.05088	0.5
99.00893	1.6
101.02444	17.4
101.03113	0.9
101.06127	0.5
108.97120	0.5
113.02449	24.3
113.06065	0.8
114.02798	0.9
119.03495	5.8
125.02449	1.1
131.03532	1.2
131.78903	0.4
143.03513	2.3
149.04575	0.9
151.13393	0.5
156.27892	0.5
159.03052	0.7
161.04544	7.6
179.05559	3.8
196.82692	0.5
271.19128	2.2
315.79544	0.5
326.98315	0.6
327.03494	0.5
345.19083	0.6
415.23340	13.2
416.23819	1.9
433.24380	7.1
433.29834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69251	0.4
52.65478	0.4
53.72551	0.4
57.03471	0.5
59.01381	100.0
60.01720	1.5
61.98837	0.5
71.01367	3.2
71.52010	0.5
73.02965	1.2
85.02960	0.9
89.02463	2.0
92.71491	0.5
96.96029	1.1
99.00927	0.5
101.02464	2.0
113.02481	1.4
119.03545	0.8
134.06052	0.5
135.04633	0.9
138.91975	0.5
156.25610	0.5
161.04576	0.8
167.10791	0.6
171.10274	0.7
192.61156	0.4
209.11955	0.6
211.13420	2.0
253.18306	0.5
259.03006	0.6
313.07800	0.5
343.21277	4.0
409.14301	0.5
415.23151	0.5
475.25223	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
56.18827	0.5
57.03451	0.7
58.00595	1.9
59.01380	100.0
60.01718	0.6
64.77351	0.5
65.00329	1.0
69.03442	1.2
69.35922	4.1
71.01383	26.1
71.05030	0.5
72.99316	1.0
73.02945	13.9
75.00898	0.6
83.01399	5.0
85.02952	6.3
87.00893	2.2
87.04533	2.1
89.02447	15.9
93.03477	1.8
95.01388	2.6
98.19917	1.1
99.00894	2.0
101.02448	19.8
101.06111	2.5
107.01414	1.6
113.02441	18.4
119.03510	8.0
119.05007	5.8
121.30951	0.5
124.18460	0.6
125.02429	1.1
131.03477	1.6
139.00162	0.6
143.03471	2.4
149.04596	1.7
149.95180	0.6
151.00365	7.1
161.04553	5.8
177.01967	1.1
178.04857	0.6
179.05585	4.9
191.05734	0.5
225.14917	0.7
271.06131	16.2
271.19290	1.3
272.06564	1.3
300.18689	0.6
301.16562	0.9
304.58740	0.6
325.20288	0.5
327.18195	2.9
343.21344	2.3
345.19543	0.8
397.22565	0.9
415.23309	8.7
416.23828	1.1
433.24316	3.9
475.25623	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01720	0.7
60.23280	0.4
61.98828	0.7
62.00618	0.4
69.48312	2.9
69.58554	0.4
71.01384	9.9
73.02960	2.6
75.00915	0.5
83.01376	0.6
83.90397	0.4
85.02942	4.7
87.00895	0.7
89.02458	0.9
95.01409	0.7
99.00906	1.5
99.04533	0.4
101.02444	5.8
108.02186	0.6
111.81546	0.4
113.02464	4.7
123.04546	1.4
125.96154	0.4
143.03487	0.5
146.03760	3.5
151.88672	0.4
159.03030	1.4
161.04561	9.9
161.05940	0.6
164.04828	2.9
179.07135	13.2
180.07549	0.8
205.68507	0.5
261.52353	0.5
460.09775	0.5
473.13831	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.9
60.40532	0.2
61.98821	0.7
71.52684	0.2
77.24355	0.2
99.04521	100.0
100.04855	2.3
115.29392	0.2
159.08147	0.2
161.06131	0.2
164.04811	0.9
179.07132	0.7
189.05580	0.3
190.09970	0.3
201.09245	0.3
211.13393	0.3
213.09239	0.5
229.08702	0.7
231.10234	2.0
245.08174	0.7
257.08212	0.3
264.13614	0.2
275.09286	0.3
430.62869	0.2
475.26987	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	46.2
61.98839	2.5
63.75731	1.4
69.62080	1.3
69.96294	3.2
69.96698	5.6
70.99663	1.5
71.01375	3.7
72.99316	2.5
75.00864	1.6
78.95907	9.2
79.95735	6.0
85.02955	3.0
87.89979	1.4
92.98154	1.8
93.03470	8.1
94.82391	1.3
96.96011	100.0
96.96929	15.8
99.00907	1.4
99.04526	36.3
99.92570	2.7
100.93348	1.5
101.02414	2.3
111.04556	1.9
113.02536	1.4
114.98595	4.3
115.92075	24.8
116.92077	1.9
116.92855	3.6
118.98024	1.7
133.02969	1.9
135.04506	2.1
151.00644	2.9
161.02390	2.2
173.04518	3.4
177.67496	1.5
191.03613	2.3
191.05487	3.3
201.09218	2.7
213.09145	2.5
231.10262	3.4
245.08214	3.3
279.15347	1.5
305.17593	1.7
331.69553	1.2
433.24365	2.2
449.14514	5.3
475.16281	4.2
475.24487	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	475.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12558	0.6
59.01377	30.9
61.98828	23.7
69.51931	3.5
71.01366	3.0
73.02931	1.1
78.91866	0.6
78.95879	3.5
79.95734	3.0
85.02953	0.7
87.00840	0.7
89.02438	0.9
96.96008	100.0
96.96902	6.0
98.19888	0.7
101.02463	1.1
113.02436	0.9
114.98573	0.7
115.00354	3.0
125.19232	0.7
133.01419	2.2
133.31451	0.6
134.32916	0.6
143.49193	0.6
149.04570	2.2
165.12866	5.0
183.13893	18.0
184.14186	1.0
192.57336	0.6
227.12883	15.0
249.98685	0.6
343.21216	1.9
346.10547	0.9
359.17035	7.3
415.22867	0.9
471.58093	0.7
475.25659	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
57.03435	3.0
58.00595	1.2
59.01377	32.0
61.98817	2.2
67.01880	1.0
68.99810	1.4
69.03448	2.0
70.12120	4.1
71.01381	25.5
72.99285	4.5
73.02939	3.8
74.90144	0.9
75.00873	13.3
77.99156	0.8
80.02681	0.9
83.05006	1.0
84.80407	0.8
85.02952	22.0
87.00880	8.7
88.43409	0.9
89.02447	6.4
90.98606	1.7
95.01397	5.9
95.01926	1.0
95.05019	6.0
99.00892	9.7
101.02415	2.3
103.00409	2.3
109.06564	1.5
111.00825	1.3
112.01694	1.1
113.02447	27.9
115.00346	2.9
117.01904	2.4
129.01895	2.8
139.00330	1.1
143.03487	1.0
157.01395	1.8
163.11284	11.6
171.10291	1.5
175.02470	3.2
181.12352	6.0
185.11790	2.1
203.27101	0.9
205.07129	0.9
207.05173	1.1
207.10210	2.7
211.13364	2.3
225.09250	1.7
225.11311	24.4
226.11555	2.2
229.14499	1.0
249.04088	0.7
249.06128	18.0
267.07199	51.9
268.07440	2.9
299.12039	1.4
299.14920	6.9
324.06723	0.9
343.21246	5.7
415.23068	1.3
457.17123	2.3
475.18155	100.0
476.18381	12.4
485.12994	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37405	2.8
59.01366	3.4
59.96746	2.9
61.98813	4.6
68.66544	2.4
69.90176	14.2
86.65092	2.8
92.83903	2.8
115.51091	2.7
137.11177	2.6
151.49065	3.1
205.15932	7.7
279.23276	100.0
280.23615	12.3
315.79648	3.2
332.92032	3.3
473.28040	33.1
474.28726	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	474.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51624	1.4
59.01380	19.5
61.98829	100.0
63.62679	1.5
68.99572	6.3
69.70883	2.8
69.71304	4.9
71.01367	2.4
79.95767	1.7
80.91694	3.0
85.02980	1.6
86.52867	1.4
87.22610	1.3
93.03445	2.9
96.96061	1.8
99.04485	2.9
112.98557	5.7
113.02424	1.5
135.04532	2.3
148.05295	26.5
163.07652	32.2
163.11276	1.6
163.40244	1.4
164.04790	2.0
179.03450	2.5
320.44525	1.9
343.21259	2.4
475.10541	1.5
475.25314	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	474.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.4
60.01712	1.6
61.98830	100.0
62.09471	0.7
70.29984	0.7
70.30322	2.4
71.01389	5.1
73.02938	1.3
85.02963	1.7
89.02447	3.2
101.02424	3.5
113.02478	3.1
119.03513	1.0
120.99671	2.1
130.96289	0.7
153.08185	0.7
161.04585	1.6
171.10286	0.8
173.71404	0.9
247.92999	0.7
343.21201	2.1
372.96066	0.8
415.23337	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29677	1.4
59.01389	10.0
61.98830	100.0
65.49368	1.3
71.52021	1.1
71.52477	2.3
76.25262	1.2
87.21071	1.3
99.04496	2.1
116.92848	1.4
127.66127	1.5
184.18352	1.2
190.09917	1.9
195.49612	1.5
211.13391	3.7
224.25412	1.6
334.69873	1.6
385.07565	1.3
474.26950	1.8
475.27005	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	474.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.1
62.96399	0.3
69.89891	0.5
69.90257	1.1
73.36101	0.2
73.57779	0.2
75.50040	0.2
77.78255	0.2
78.95903	13.6
96.96932	0.5
99.04520	9.1
110.59444	0.2
122.00124	0.3
140.01193	2.3
152.98457	0.4
152.99564	2.1
171.00665	1.4
180.90968	0.2
196.03853	1.2
214.04848	4.2
231.10228	0.2
233.22745	0.4
259.20520	0.4
275.20041	0.4
277.21701	100.0
278.22052	8.5
474.26248	11.1
475.26645	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	1.0
69.31753	0.7
70.83640	2.0
78.95897	36.8
86.86883	0.7
96.96973	1.1
140.01196	7.1
152.99557	4.2
171.00587	1.4
196.03777	14.8
214.04851	2.9
214.54755	0.7
259.20929	0.9
277.21698	100.0
278.22046	11.0
474.26236	29.6
475.26758	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	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29605	0.7
50.35366	0.5
59.01380	2.1
61.98810	0.9
66.63480	0.6
78.95903	26.5
99.04532	2.1
122.00115	1.3
135.53326	0.5
140.01196	6.0
152.99570	2.4
196.03775	13.0
214.04842	2.4
277.21710	100.0
278.22037	9.5
315.19537	0.9
317.21219	1.4
407.47723	0.6
423.68866	0.7
457.25476	0.7
474.19440	1.3
474.26215	27.0
475.20142	1.1
475.26611	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	473.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.4
59.01380	100.0
61.98832	14.6
65.06078	1.2
71.01381	14.6
71.05052	1.8
73.02942	8.0
83.01378	2.7
85.02950	5.5
89.02428	7.0
101.02433	9.7
113.02444	9.3
119.03474	1.8
135.67360	1.1
138.06866	5.6
153.09232	18.6
161.04541	5.4
164.04802	12.6
179.03450	2.4
179.07144	10.5
207.14064	1.3
209.08205	1.6
209.51230	1.4
213.27501	1.2
225.14952	25.5
226.15273	1.3
250.15213	1.3
297.29523	1.5
369.19235	2.6
387.20245	4.4
390.34720	1.3
413.22000	2.5
429.21600	2.5
431.23129	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98834	1.9
63.04581	1.0
70.74878	2.8
73.32110	0.8
80.64388	0.9
83.05522	1.0
87.03699	0.9
125.61255	0.9
190.00296	1.0
208.63223	0.9
225.11346	1.8
249.24982	0.9
318.47125	1.0
396.68387	1.0
473.25336	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	473.2908
Annotation	CHEBI:68039
Peak:m/z	Relative Intensity
57.03429	3.2
59.01367	4.6
61.98822	1.6
65.00322	1.3
66.28374	1.1
69.61801	1.0
71.09501	2.4
79.35697	1.3
81.03459	3.6
83.01381	7.9
97.91940	1.0
106.05842	1.1
123.04527	3.3
125.02441	10.2
133.06599	1.3
154.23282	1.0
277.25262	1.4
279.26926	6.9
303.26855	9.7
319.30078	7.0
320.30356	1.3
321.27832	1.5
327.26944	1.5
341.28641	1.5
343.25882	1.4
343.29993	22.6
344.30399	3.5
345.27924	11.1
357.31723	1.7
378.81046	1.4
385.31110	14.6
386.31415	1.4
387.29004	10.6
389.26929	3.4
405.29932	3.1
429.30081	22.4
430.30484	3.3
431.27994	5.1
473.18948	2.8
473.29037	100.0
474.29315	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	473.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.6
57.03432	5.0
59.01379	100.0
61.65929	1.4
61.98818	3.1
68.99807	1.9
69.03450	2.5
71.01381	35.3
71.05020	11.1
72.99306	6.6
73.02942	5.0
75.00878	19.8
79.95721	1.4
81.03464	1.5
83.01347	2.0
85.02950	34.1
87.00872	10.0
89.02448	8.2
90.98594	25.4
93.03432	1.6
95.01382	6.7
99.00891	8.8
99.04510	3.7
101.02431	3.7
103.00345	2.2
109.06559	2.4
111.08149	2.1
113.02448	43.0
114.02811	2.5
114.34654	1.4
115.00369	2.5
117.01942	3.6
123.08150	1.2
129.01920	3.1
141.85670	1.3
147.11845	1.8
164.20779	1.2
165.12846	3.0
175.02467	2.4
179.14398	14.0
185.35516	1.5
191.05533	2.0
191.10802	1.8
205.07185	7.1
207.13860	3.3
209.11842	8.3
223.13390	14.0
241.82288	1.5
249.06140	30.2
250.06693	1.8
263.07663	4.3
267.07202	70.6
268.07590	3.3
268.71634	1.7
269.13968	9.4
281.08795	9.9
286.74149	1.4
293.13870	1.5
360.70999	1.9
371.20950	1.8
473.10577	3.2
473.20215	76.9
474.20374	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	473.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34028	1.1
55.01859	1.7
57.03447	6.4
58.00563	1.1
59.01377	56.2
61.98764	1.0
68.99811	1.8
70.36191	2.6
70.36584	2.3
71.01380	35.0
71.04707	1.0
71.05018	12.6
72.99312	7.1
73.02918	3.9
75.00471	1.5
75.00867	23.7
78.91450	1.1
78.91882	16.9
79.89377	1.0
79.95707	2.0
83.01368	2.1
85.02473	2.4
85.02946	36.1
87.00413	1.3
87.00878	13.1
89.02450	8.8
90.98562	3.1
93.03446	1.7
94.06638	1.2
95.01348	4.8
99.00871	12.6
99.04458	3.2
101.02406	2.8
103.00347	3.9
109.06580	1.4
111.08110	3.1
113.02444	48.1
115.00296	3.1
115.35409	1.1
117.01889	4.4
119.08780	1.2
120.38782	1.1
123.08125	2.6
129.01906	2.5
131.03452	1.5
175.02397	3.3
179.14401	15.9
201.85199	1.1
205.07076	4.4
205.12209	1.7
207.05043	1.6
223.08223	1.7
223.13371	13.1
231.05034	3.2
249.06120	34.9
250.06461	1.2
267.07187	100.0
268.07495	5.0
269.17450	1.3
431.22601	2.4
473.20047	83.4
474.20218	12.0
483.61227	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65162	0.8
59.01376	5.1
61.98825	1.5
69.03474	0.7
69.72168	2.6
70.51210	0.6
71.01383	2.1
79.95734	4.0
80.96509	1.0
86.77228	0.7
89.02444	2.3
94.31727	0.6
94.58701	0.6
95.95225	2.8
96.96012	55.1
101.02412	1.2
107.05032	1.2
108.02110	0.6
109.02948	6.2
111.00859	2.7
121.36160	0.7
122.97577	3.4
126.50665	0.8
134.03745	21.0
135.04524	90.0
136.04857	3.5
149.06067	13.6
149.20448	0.6
150.03224	2.0
162.03127	1.0
163.04022	0.7
165.05569	1.0
175.04001	0.8
177.05574	5.5
178.02686	2.3
179.03493	100.0
180.03802	3.4
195.06458	0.9
198.31769	0.7
219.06635	0.9
219.28502	0.7
221.04567	11.9
222.04816	1.0
228.51871	0.6
233.38065	0.6
275.02304	6.8
276.02737	0.7
311.07687	11.0
323.07687	0.9
341.08826	7.1
383.09683	1.0
462.42178	0.7
473.12454	55.3
474.12991	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91346	0.5
58.85018	0.4
59.01381	3.3
69.42828	2.6
71.01374	1.9
73.02962	0.4
83.52262	0.5
86.26553	0.5
89.02442	1.4
96.96004	1.1
98.95582	0.6
102.67870	0.5
107.04985	0.9
109.38806	0.5
111.46340	0.5
120.67216	0.5
121.67966	0.4
133.02954	1.8
134.03755	4.6
135.04521	100.0
136.04881	3.2
137.02475	0.6
149.06107	0.5
157.51537	0.5
159.04539	0.9
176.21193	0.6
177.05571	1.5
178.02716	0.7
179.03490	80.2
180.03781	3.2
191.05791	0.5
221.04626	1.0
228.56984	0.5
234.85626	0.5
268.16779	0.6
323.07669	1.9
341.08786	7.1
342.09140	0.5
473.12985	55.1
474.13254	7.0
492.87122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.5
61.98826	1.1
69.17125	3.5
71.01391	0.8
79.95742	6.0
80.96523	1.6
81.47638	0.4
87.00909	0.4
94.98082	0.7
95.95236	5.3
96.96011	100.0
97.45333	0.4
101.02483	0.5
107.04988	0.5
109.02945	2.8
110.97560	1.0
111.00867	2.0
122.97579	3.2
134.03740	28.7
135.04533	30.2
136.04871	1.2
149.06082	23.2
150.03224	1.6
150.06435	0.6
159.04457	0.5
162.03181	1.0
163.03947	1.1
165.05547	1.3
177.05534	3.0
178.02675	0.7
179.03497	28.5
180.03868	1.5
195.06601	0.6
208.42049	0.3
219.02960	0.5
219.06595	0.5
221.04530	6.1
233.08144	1.8
245.01224	0.5
258.02078	1.0
275.02298	7.0
276.02402	0.4
298.16858	0.4
311.07733	6.1
341.08835	2.6
473.11404	49.4
474.11731	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	472.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19438	0.7
51.59945	0.7
57.03456	4.7
60.53664	0.7
61.98827	100.0
69.92283	1.3
69.92675	1.8
81.03458	8.7
83.05031	0.9
99.04560	1.1
125.02437	15.2
204.25243	0.7
217.20705	0.8
263.23785	0.7
265.25235	0.8
305.24841	1.5
329.03458	0.8
343.28705	0.7
385.24155	0.8
409.29642	17.1
410.30188	2.4
410.66562	0.8
472.34586	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
101.12453	0.4
125.02475	0.7
125.06096	2.6
125.71075	0.4
276.36374	0.4
346.37646	0.5
365.30420	2.5
370.16702	0.4
448.95685	0.4
452.75641	0.4
473.27322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
59.01359	2.1
61.07273	1.2
61.98830	100.0
78.95893	3.0
81.03448	8.0
83.01389	1.2
95.96840	1.0
98.19813	1.5
125.02422	6.7
147.06552	1.1
195.00610	2.0
214.66641	1.0
222.98029	1.0
229.05952	1.5
250.82826	1.0
277.21759	8.8
279.23233	1.4
286.39178	1.3
303.95947	1.0
409.29581	19.4
410.29837	1.5
415.25006	1.8
425.92755	1.2
472.24545	1.3
472.35391	11.3
473.22925	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	472.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.7
61.98828	100.0
65.68159	0.7
70.36971	0.7
72.31117	0.7
76.90797	0.9
81.03448	8.1
83.01392	1.1
98.20648	2.0
109.28310	0.8
125.02439	6.6
142.62029	0.9
150.33566	0.7
171.88808	0.8
179.81845	0.8
196.19670	0.8
229.38338	0.8
259.68246	0.8
409.29584	21.5
410.30121	2.0
428.83502	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36912	0.4
55.02239	0.4
59.01379	33.7
60.33477	0.4
61.98821	1.5
63.37430	0.4
70.59289	1.2
71.01378	1.4
73.02952	0.8
76.44323	0.4
78.95902	6.9
79.95746	4.2
81.03459	1.1
83.05025	4.3
84.05341	0.6
89.02461	0.6
90.98592	1.8
91.58289	0.4
92.44419	0.4
92.98202	1.8
93.03460	0.4
94.98077	1.0
96.96014	100.0
96.96928	13.0
99.00905	0.6
101.02455	1.1
101.06063	0.5
113.02436	0.5
113.92655	0.5
115.07658	0.8
120.99635	1.4
121.02954	8.1
135.08113	0.4
139.07707	2.0
140.07935	0.6
143.07166	0.9
156.10341	0.7
157.08693	1.9
158.09053	0.7
158.11877	0.9
181.06587	0.5
181.12427	0.6
188.09177	0.5
191.05679	0.4
193.38165	0.5
197.11836	0.8
199.09785	1.2
217.50725	0.4
225.05576	0.6
232.14600	0.5
232.75658	0.4
242.13922	0.7
261.05460	0.4
313.07120	1.9
340.21249	2.4
341.21436	2.8
344.09460	1.2
357.06366	0.5
357.24451	1.1
401.08725	3.0
413.21609	0.5
429.22778	0.9
472.26022	0.4
473.18066	0.7
473.25922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28081	0.5
59.01382	15.9
60.01721	0.5
61.98832	3.7
65.91924	0.6
69.03457	2.8
71.01368	1.3
71.05029	2.2
71.32896	1.2
72.00910	0.6
73.02946	2.3
74.38563	0.5
81.03463	8.2
83.05025	50.2
84.05357	0.7
85.02883	0.7
86.02499	0.5
89.02463	0.9
90.98596	20.9
91.98940	1.7
92.98158	1.8
93.47054	0.5
96.08170	0.6
96.96008	0.9
97.06582	1.1
99.04506	1.6
100.04819	0.6
101.02474	1.4
111.08167	0.7
113.02415	0.7
113.09723	4.2
114.09209	1.9
115.07648	16.7
116.08008	0.5
120.99678	1.0
121.02942	0.8
127.04006	6.6
127.11309	0.7
128.10822	1.8
131.03519	2.5
135.08163	1.5
137.09732	2.0
138.09233	0.7
139.07648	49.5
139.11267	1.5
140.07962	1.9
143.07133	1.7
149.04538	2.7
150.09267	0.5
156.10295	19.2
157.08696	60.9
158.09169	2.5
158.11858	19.2
159.12195	0.8
180.13916	2.0
181.08722	1.6
181.12323	9.4
183.10295	1.2
186.11336	1.2
197.11839	0.8
197.95981	0.6
199.09753	30.6
199.13435	2.2
200.10146	1.7
224.12909	12.9
225.13258	0.8
228.97783	0.5
242.14000	10.4
243.14294	0.7
322.20233	1.2
340.21259	100.0
341.21832	7.6
344.09448	0.6
347.87827	0.6
401.08386	0.6
402.02795	0.5
414.62994	0.7
472.25494	24.3
473.25281	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	472.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49763	1.5
57.28760	1.7
61.98829	100.0
69.15266	4.5
69.15671	11.2
75.40097	1.4
82.51284	1.4
96.97877	1.6
285.00015	1.8
412.05737	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	472.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
63.62437	0.3
69.84438	1.4
69.84856	0.7
83.05018	1.0
95.12494	0.3
109.73836	0.3
113.07884	0.4
115.07682	0.6
139.07642	0.7
157.08708	1.2
181.12404	0.6
229.39206	0.3
242.13959	0.4
311.29807	0.5
340.21246	1.8
472.25699	0.4
481.39072	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88208	0.7
53.98703	0.9
59.01380	11.2
61.98830	100.0
65.05760	0.8
69.78357	2.3
69.78772	2.7
70.77578	0.8
71.01382	1.2
79.95728	0.8
83.05029	1.8
90.98591	19.2
91.98958	1.0
92.98177	1.9
94.98081	1.0
98.20556	1.3
99.04542	1.5
110.83963	0.7
113.02489	1.1
122.40043	0.9
143.07127	1.1
157.08609	1.4
191.05641	1.4
229.01718	0.9
340.21271	3.2
344.09253	3.2
415.13589	0.9
472.24997	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
67.84023	0.3
69.62733	1.6
71.76614	0.3
83.64816	0.3
98.20628	0.6
134.16829	0.3
270.21561	0.3
283.83087	0.4
387.25394	5.0
388.25714	1.1
390.26364	0.4
472.23145	43.8
473.23349	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	471.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	78.4
61.98815	10.2
67.16904	3.0
70.04567	12.2
71.01387	20.1
72.21868	2.3
73.02942	12.9
79.95727	5.0
83.01388	3.3
85.02953	10.4
87.00858	2.6
89.02430	8.1
95.01342	2.8
96.96021	26.2
98.95591	8.0
101.02446	12.4
111.02003	3.2
113.02428	8.4
117.97311	2.4
119.03525	3.9
120.99645	3.1
122.02922	5.2
122.03740	64.5
134.03786	14.2
136.05307	3.2
148.05211	3.8
149.06075	64.6
151.03885	2.8
151.07635	4.8
161.04530	7.9
163.11249	2.6
164.04774	11.4
176.08321	3.3
177.09154	3.5
179.07100	7.5
179.10768	4.0
189.09215	41.2
190.09734	3.6
191.05545	4.2
191.10774	42.5
198.93752	2.5
205.08492	3.4
231.13974	3.7
244.13774	2.8
248.14143	74.4
249.14940	100.0
250.15257	5.4
265.14420	6.2
266.15250	25.8
267.15976	97.7
268.16385	9.8
275.71024	2.9
291.15948	5.6
297.11832	4.1
298.11804	3.1
338.00998	2.8
411.20093	24.9
429.20987	3.2
471.11627	11.0
471.22485	13.0
499.66638	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	471.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	1.3
59.01378	100.0
60.01733	0.8
61.98837	0.7
69.34922	2.3
69.35363	2.4
70.28813	0.6
71.01378	15.6
72.99297	0.8
73.02949	1.9
85.02975	3.1
89.02446	21.6
90.91676	0.6
95.01414	0.5
99.41275	0.6
101.02440	7.1
113.02444	7.3
119.03510	7.3
125.02541	0.6
131.03497	0.7
132.93471	0.5
143.03540	2.1
149.04570	0.7
157.40164	0.5
161.04619	2.1
176.08366	0.9
179.05638	3.3
179.21100	0.6
180.80731	0.6
199.02812	0.7
211.13503	0.6
249.15025	0.7
254.12245	0.6
267.16177	1.0
291.04868	0.6
411.20004	0.9
429.21210	0.8
471.22675	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	29.1
61.98830	7.6
70.36018	6.2
71.01379	10.9
71.67242	3.2
73.02969	6.3
76.16998	3.2
96.96014	7.6
101.02438	9.2
105.81846	3.3
113.02474	6.0
120.99718	5.0
122.03733	16.5
140.23485	3.3
149.02275	2.8
149.06027	19.6
150.06821	10.4
161.04547	6.9
161.87993	3.7
219.13780	4.6
231.13832	6.8
248.14088	39.8
249.14954	100.0
250.15300	4.6
266.15134	5.7
267.15906	18.5
299.13156	3.5
364.95093	3.0
411.20197	6.7
429.20822	3.3
439.19171	3.5
446.69025	3.7
471.11679	4.8
471.22388	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	471.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38263	0.3
56.59544	0.3
57.03455	0.4
59.01393	1.8
70.34140	0.9
71.01389	0.6
79.06674	0.3
84.95213	0.3
85.02943	2.1
87.04510	1.4
97.02974	0.4
98.20559	0.3
99.04533	0.4
101.06076	0.6
109.02978	0.3
117.66149	0.3
121.03003	0.3
121.06590	0.5
122.03743	62.6
123.03981	2.1
124.05312	1.0
125.06133	0.3
134.03743	2.1
135.04570	0.5
136.05254	0.3
137.06104	0.5
142.96936	0.3
145.05049	0.8
148.05292	0.6
149.06085	13.5
150.06783	1.2
151.07668	3.9
153.09206	1.6
161.09685	0.8
162.06917	0.6
163.07666	1.4
164.08372	0.4
165.09215	0.3
176.08394	0.4
177.09149	0.7
178.10043	0.6
179.10806	3.6
189.09216	0.4
191.10789	7.2
192.11174	0.5
193.08656	0.3
207.10194	0.3
231.13992	0.3
249.14969	3.0
251.12849	1.0
252.13597	1.5
265.14417	5.1
266.15225	16.1
267.16003	100.0
268.16351	7.7
293.17551	0.8
295.61752	0.3
411.20267	6.1
412.20560	0.7
429.21475	0.4
471.22168	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	471.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11605	0.6
54.16560	0.7
54.44361	0.7
59.01380	100.0
62.35154	0.7
62.74366	0.7
71.01377	6.6
73.02940	9.3
83.01409	3.0
85.02951	0.9
87.03654	0.7
89.02458	2.8
90.98597	30.2
93.05376	0.7
98.19856	1.4
99.04521	7.5
101.02441	9.7
113.02481	2.9
119.03488	1.3
120.99638	0.9
122.03761	0.9
128.15077	0.6
131.03546	0.8
149.04587	0.9
161.04596	1.7
191.63161	0.7
197.71532	0.7
198.64041	0.7
203.10867	0.6
207.13934	1.3
229.43094	0.8
243.04929	1.1
261.18378	0.8
273.18652	1.2
291.19733	1.2
328.45514	0.7
471.17270	1.2
471.26312	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	471.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81866	0.2
59.01370	0.9
61.98831	4.6
62.85375	0.2
70.95129	0.5
90.98596	100.0
91.98945	0.6
92.41483	0.2
95.06950	0.2
99.04511	3.1
120.31013	0.2
148.71622	0.2
329.44287	0.2
402.37039	0.2
471.16946	2.4
471.23334	0.3
471.26202	0.3
472.17429	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18706	0.2
59.01382	11.8
59.96288	0.2
60.01698	0.4
61.01804	0.3
61.47378	0.2
61.98812	0.5
63.32998	0.3
71.01391	0.7
71.52962	0.3
72.01186	0.2
73.02942	1.0
85.02945	0.4
90.98596	100.0
91.98940	0.7
96.83935	0.3
97.06496	0.3
99.04517	1.5
101.02447	1.0
113.02415	0.4
120.99634	0.3
179.03430	0.3
207.13864	0.4
219.13855	0.3
234.71159	0.3
297.94434	0.3
366.14813	0.3
374.06357	0.6
471.16898	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52288	5.3
60.67202	5.4
61.98829	100.0
65.40944	4.6
69.29060	36.0
69.29474	11.0
75.79607	5.0
94.02935	5.5
98.20667	12.8
125.02396	6.9
150.03040	5.2
254.63899	5.4
256.23590	11.8
279.26883	8.5
321.27924	17.6
363.28900	27.0
380.29303	5.8
407.27960	71.7
408.28122	7.5
452.24905	6.8
471.34525	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	470.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
66.25901	0.5
69.56388	0.6
70.99506	1.4
84.40533	0.6
97.25105	0.7
177.45181	0.6
214.84756	0.6
345.32144	0.7
363.32959	2.1
407.31705	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	471.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42905	0.2
59.01376	2.0
61.98836	0.3
70.05383	0.9
71.01374	1.0
72.73531	0.2
73.56098	0.2
79.95733	6.2
83.01320	0.2
85.02961	0.8
87.04509	0.5
89.02483	0.4
96.96009	100.0
97.95945	0.6
101.02433	0.4
101.95764	0.3
110.97610	0.4
112.41119	0.2
121.87027	0.2
122.03743	18.5
122.10658	0.2
123.04095	0.3
125.02395	0.3
129.88884	0.2
134.03741	0.5
135.04584	0.3
137.02405	0.6
141.77849	0.2
148.05322	0.2
149.02487	0.3
149.06068	3.5
150.03232	2.2
150.06740	0.4
151.07637	1.4
153.09178	0.6
162.06795	0.3
163.07640	0.4
164.04799	0.3
165.05556	1.6
176.08363	0.4
177.01897	0.3
177.08893	0.3
178.09952	0.3
179.10797	1.3
180.04291	0.6
189.09142	0.4
191.10788	2.1
195.06659	2.1
196.03719	0.3
207.06566	0.2
207.10355	0.3
240.04292	1.5
249.14955	0.9
251.12846	0.3
258.98886	0.2
265.14493	1.5
266.15189	5.1
267.16000	26.8
268.16217	1.4
283.06067	0.5
286.08630	0.3
298.08429	1.1
313.10703	0.4
380.26315	0.3
411.20135	2.9
429.21292	1.1
471.09647	40.3
472.09955	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	471.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	62.5
61.98827	3.0
69.17789	2.7
69.18208	6.0
71.01382	1.9
76.70986	0.7
79.95725	2.0
84.30844	0.9
86.27676	0.8
96.96014	31.7
98.20689	1.8
98.95561	0.9
101.02452	1.5
113.02447	1.1
121.02948	1.8
122.03728	2.1
137.02411	1.2
149.06091	2.0
150.03223	2.1
159.04446	2.0
160.05278	2.1
161.04631	0.9
177.01901	5.1
189.40010	0.8
190.06313	1.4
191.05580	1.2
195.06653	1.5
204.04266	72.2
205.04546	3.4
205.08687	1.0
218.79141	0.9
219.06610	46.9
220.06967	2.6
234.05305	2.1
249.07664	100.0
250.08022	7.1
267.15704	2.5
313.18600	0.9
324.88831	0.9
429.21255	1.1
471.09714	12.0
471.17426	4.1
472.10144	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12902	1.3
61.98830	100.0
68.81025	1.6
69.38758	10.5
99.04543	5.4
100.04822	1.5
148.69540	1.3
208.30666	1.2
236.03358	1.4
254.78833	1.3
302.14395	1.3
321.95209	1.4
396.80487	1.3
455.84421	1.4
490.43277	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.2
61.98828	45.3
67.89722	0.7
69.03450	0.6
69.37454	5.6
71.01369	0.8
77.37152	0.7
77.48348	0.6
81.03391	0.7
83.05005	2.8
93.03420	1.0
96.29372	0.7
99.04503	1.8
100.03991	0.7
101.02451	0.6
101.06081	9.8
102.05585	1.8
115.92084	0.8
125.02390	1.3
149.06032	1.2
161.09676	0.8
169.01413	0.9
185.09766	0.7
191.05547	1.1
203.10794	2.1
212.97610	0.7
215.06958	0.7
247.09711	3.6
277.10776	0.9
300.19629	1.3
310.18011	2.3
322.77499	0.7
330.20605	0.9
338.19745	3.4
342.24411	1.3
357.21811	100.0
358.22125	10.4
372.25333	1.9
386.23334	1.2
413.24457	6.5
416.24570	1.7
443.25476	93.3
444.20383	1.2
444.25864	13.7
470.12219	1.1
470.20612	1.5
470.26688	21.0
471.27383	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	469.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05632	0.4
59.01376	8.4
69.25613	0.4
70.12480	1.6
70.87124	0.4
73.02927	0.5
85.02917	1.0
96.96023	1.0
109.02889	0.4
121.06585	0.5
122.03735	5.3
123.04546	0.7
134.03731	3.3
134.19962	0.4
135.04526	2.4
136.05281	1.6
145.76657	0.4
148.05318	3.4
149.06068	14.1
149.07266	0.8
150.06706	0.5
151.07631	0.5
151.42975	0.5
161.06076	4.9
162.06813	1.4
163.07622	1.2
174.06810	0.4
176.08415	100.0
177.08798	6.0
187.07657	0.5
189.09203	1.7
190.09996	2.1
191.10770	59.9
192.11125	3.2
195.10312	0.5
205.08687	3.0
213.09177	0.4
214.09982	0.6
217.12271	0.6
227.10782	0.6
229.12392	2.0
247.13306	2.0
264.13632	2.7
265.14432	39.6
266.14734	3.0
469.17526	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	1.6
60.17567	0.6
60.20099	0.6
61.13758	0.6
61.98814	1.5
64.96332	0.6
69.66263	0.6
71.34418	0.6
71.52110	0.7
74.03159	0.6
78.95910	3.3
78.96262	0.6
87.04481	0.9
99.04493	0.9
103.54035	0.7
116.40582	0.6
120.19627	0.5
120.96936	0.8
125.02451	1.7
152.99542	1.4
169.01398	2.0
195.00627	1.2
196.99962	0.6
217.36064	0.6
238.31026	0.7
255.23257	15.5
256.23651	1.5
287.25244	0.6
387.25391	100.0
388.25748	12.7
412.09384	0.8
451.24500	6.1
452.24692	0.9
469.25726	37.8
469.33029	3.4
470.26025	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	469.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76474	0.5
57.03455	0.7
59.01380	15.6
70.13770	2.8
71.01373	0.8
73.87550	0.7
74.37962	0.6
96.95996	1.4
99.00800	0.6
109.02933	0.9
112.31036	0.5
122.03737	7.4
124.21632	0.7
134.03719	4.1
135.04471	3.1
136.05283	2.6
137.06096	0.7
148.05313	4.4
149.06076	14.5
150.06778	2.1
151.07648	1.7
154.18399	0.6
161.06053	5.1
161.09703	0.7
162.06853	1.3
163.07640	1.2
164.13612	0.6
173.09692	0.7
174.06714	0.7
175.07657	0.9
175.29872	0.7
176.08421	100.0
177.08830	5.4
189.09229	2.1
190.10040	2.1
191.10777	60.6
192.05980	0.7
192.11043	3.2
205.08704	2.6
213.09196	0.7
214.09946	1.3
229.12352	1.6
239.60901	0.7
247.13339	1.7
264.13663	2.9
265.14435	52.5
266.14914	3.3
403.95782	0.7
434.92041	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90192	0.6
59.01380	15.9
70.20434	2.1
71.01371	1.4
79.15411	0.6
80.91658	0.6
85.02941	0.7
96.95982	0.9
106.91831	0.6
122.03728	6.0
134.03734	5.0
135.04507	4.2
136.05342	1.6
148.05293	4.1
149.06073	17.0
150.06821	1.8
151.07675	1.6
161.06068	4.9
162.06883	1.3
163.07613	1.2
173.05943	0.6
173.09718	0.9
176.08415	100.0
177.08876	6.3
189.09233	2.8
190.09988	2.1
191.10768	61.8
192.11092	3.7
193.05998	0.9
195.10391	0.8
201.47151	0.6
205.08688	2.9
214.10036	0.6
215.72142	0.8
217.12181	0.8
229.12289	1.6
247.13396	2.1
264.13681	3.7
265.14432	47.0
266.14804	3.6
295.38446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.2
70.63422	0.6
71.01385	0.9
72.99313	0.3
79.95740	2.6
80.96520	0.9
85.02962	0.6
87.00871	0.4
89.44499	0.2
95.95235	0.8
96.96013	62.3
98.95574	0.3
101.02451	0.9
113.02439	0.3
113.19493	0.2
122.03754	0.7
122.97581	1.0
125.02453	0.5
134.03795	0.4
138.97084	2.1
149.06111	0.7
150.97125	1.2
151.07637	0.3
152.98563	0.3
164.98567	0.4
169.01445	0.3
176.08408	0.9
180.98122	0.8
191.10759	0.7
192.88770	0.3
193.04999	0.5
198.99242	0.9
204.02199	0.3
212.04741	0.2
241.00227	2.9
247.13448	0.4
264.13766	0.3
265.14453	2.4
469.17456	100.0
470.17804	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	469.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48810	1.0
55.01869	2.3
57.03435	2.5
59.01379	100.0
59.20154	0.8
60.01706	1.2
63.80077	0.9
69.03450	2.1
70.18702	2.1
70.19092	1.8
71.01380	27.7
71.05048	1.2
72.99338	1.5
73.02945	40.0
79.95736	15.3
81.03460	4.0
83.01390	10.8
85.02955	3.9
87.00878	2.4
89.02445	9.4
93.03448	3.3
95.01390	2.4
95.95218	4.5
96.95386	2.3
96.96014	40.9
97.02959	1.3
97.21178	1.1
99.00887	1.0
99.04530	4.7
99.92585	1.5
100.53135	0.9
101.02441	31.6
107.08693	1.0
110.97560	2.3
113.02441	11.3
114.77598	1.0
115.92086	1.8
116.92851	6.7
119.03484	3.9
123.08160	2.2
124.05311	1.8
125.02414	2.0
131.03490	1.9
135.08261	1.0
136.01653	2.2
137.02417	1.4
137.06079	1.9
138.06866	5.9
139.07645	7.7
143.03455	2.7
149.04562	3.7
151.03989	3.1
161.04610	6.5
173.04504	1.2
176.08411	0.9
177.09001	1.2
179.05663	1.5
188.12170	1.9
192.11531	4.3
203.14415	14.1
221.15472	14.5
222.15572	1.0
235.39949	0.9
247.13370	3.1
265.14401	29.8
266.14847	2.4
276.13708	1.0
279.15942	1.0
303.16190	1.1
337.16550	1.5
409.18710	7.1
421.21341	1.2
427.19672	14.4
428.20041	1.7
457.67795	1.0
469.11615	28.4
469.21075	8.1
470.11771	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.1
61.98826	3.4
69.67579	2.1
71.01370	1.0
73.02927	0.5
79.95734	2.9
80.63152	0.3
80.96520	1.6
83.01369	0.4
85.02944	0.8
87.00904	0.4
89.02471	0.4
95.95242	1.1
96.96009	60.8
98.20628	0.7
98.95586	0.7
101.02454	1.0
113.02421	0.6
122.03717	2.7
122.97585	1.0
123.04479	0.6
128.77629	0.4
134.03726	1.5
135.04517	0.8
138.97081	2.1
148.05293	0.3
149.06053	3.3
150.06833	0.6
150.97023	1.1
151.07672	0.6
156.20206	0.4
163.07681	0.4
165.09117	0.4
168.63704	0.3
176.08438	0.5
178.02782	0.5
180.98183	0.4
184.07275	0.6
193.05019	1.5
193.08676	0.9
198.99121	1.0
218.05789	0.6
219.77965	0.4
229.12360	0.8
233.08231	0.6
241.00296	2.7
247.13330	0.8
256.99670	0.4
264.13660	1.4
265.14435	8.7
286.77399	0.4
298.11523	0.5
299.13690	0.4
350.11752	0.4
391.36395	0.4
409.18896	0.6
469.17435	100.0
470.17743	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	468.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83772	1.2
59.01382	12.0
61.98830	100.0
71.01380	4.0
71.52114	1.2
71.52522	1.7
78.74053	1.6
81.51433	1.4
83.42938	1.5
85.02946	2.6
88.77686	1.3
89.02493	1.4
93.03468	2.3
99.03122	1.5
99.04507	3.8
100.00432	1.8
113.02441	1.9
120.99651	2.4
122.03777	1.8
122.20126	1.5
123.44610	1.3
124.12801	1.4
125.02434	4.3
148.08717	1.7
149.06029	2.3
151.74922	1.3
151.93309	1.3
169.01427	4.9
174.86932	1.2
245.69952	1.5
269.54938	1.6
304.13754	3.0
327.24173	1.4
361.15430	2.0
405.14709	5.1
420.22498	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	469.1173
Annotation	Shogasulfonic acid D
Peak:m/z	Relative Intensity
51.77683	0.3
55.49917	0.4
57.03437	0.4
58.00594	0.4
59.01381	27.3
60.01675	0.4
60.28799	0.4
61.98811	0.6
63.26394	0.3
68.09438	0.3
69.03445	0.7
69.45187	2.4
69.73959	0.4
71.01384	8.1
73.02949	10.2
79.01813	0.3
79.95739	47.8
81.03457	0.9
83.01388	2.7
85.02956	1.2
85.30911	0.3
87.00866	0.5
87.86367	0.3
89.02449	2.4
93.03461	1.6
94.03809	0.5
95.01392	0.6
95.95240	13.9
96.96013	100.0
99.00888	0.8
99.04498	1.1
99.92594	0.4
101.02438	7.6
110.97568	5.6
113.02451	2.3
115.92049	0.8
116.92873	3.6
117.44009	0.4
119.03513	0.9
121.06542	0.4
122.03799	0.5
123.08166	0.7
124.05253	0.5
125.02475	0.7
131.03552	0.5
138.06865	1.8
139.07648	2.6
141.95773	1.2
143.03484	0.6
148.99147	0.4
149.04524	0.5
149.99948	1.1
151.07675	0.7
152.01163	1.3
161.04539	1.5
167.03526	1.4
169.01483	0.5
173.04588	0.8
180.04239	0.6
192.04274	0.5
192.11604	1.0
203.14413	2.6
208.07413	0.6
221.15466	2.9
247.13477	0.7
265.14456	7.6
266.14755	0.5
273.04443	0.7
281.21323	0.5
289.03873	1.1
329.10501	0.5
360.43478	0.4
409.18567	2.4
427.19720	3.3
439.07159	0.7
444.32648	0.4
454.09387	2.5
469.11725	76.0
470.12027	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	467.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99660	0.6
54.09861	0.6
55.44120	0.6
57.03446	19.2
59.01373	1.4
61.98830	1.4
63.02395	2.4
65.00326	6.7
65.03976	1.5
67.01900	4.0
68.99809	2.1
72.14932	0.6
81.03455	56.4
82.03812	1.3
83.01387	12.6
83.05027	11.8
83.47369	0.6
85.02950	22.7
93.03476	1.1
94.74980	0.6
96.02693	0.5
99.04490	1.1
105.08406	0.6
107.01382	2.3
107.05009	4.7
108.05415	0.6
109.02966	5.9
110.06116	0.8
111.00865	1.1
115.07624	1.5
125.02444	100.0
125.06075	1.6
126.02787	2.4
126.69491	0.7
149.06055	1.7
151.04018	2.6
153.01944	12.6
154.02249	0.6
154.10777	0.6
167.14365	2.8
173.04567	1.3
173.06015	0.6
191.05579	1.2
193.05052	0.9
202.63741	0.5
211.06094	20.5
211.13315	4.0
229.14418	2.4
232.79799	0.5
241.18057	4.4
255.23198	1.1
263.86447	0.7
273.25415	0.7
278.21136	0.7
279.23315	0.9
283.19128	5.6
308.22424	0.9
321.28076	0.6
323.25989	1.5
335.29749	0.7
341.26978	11.9
342.27368	1.1
363.00504	0.6
363.29272	1.0
383.89752	0.6
387.29037	0.9
400.98120	0.7
405.30215	3.6
406.30505	0.6
449.29126	8.4
450.29459	1.8
467.30191	15.8
468.30420	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1921
Annotation	2-O-(6'-O-Acetyl-beta-D-glucopyranosyl)-ivasperin
Peak:m/z	Relative Intensity
50.32125	0.6
51.35230	0.6
53.04248	0.7
55.91161	0.6
57.03439	0.8
59.01381	100.0
59.27498	0.6
60.01726	1.4
60.99331	0.8
67.01894	0.8
69.68510	3.0
71.01392	1.8
87.00885	1.6
88.67920	0.7
93.03460	3.7
96.96044	1.1
98.20662	0.9
99.04521	15.7
104.27300	0.8
113.26723	0.7
123.28053	0.9
131.05080	0.7
134.03767	0.8
135.04497	1.4
143.05101	1.9
147.04562	1.0
149.04582	0.9
157.06631	0.9
159.04645	0.7
159.08168	2.7
161.06171	0.9
171.08142	3.4
173.04610	2.1
175.07718	1.1
183.08183	1.9
185.06129	0.7
186.06979	0.7
187.11380	0.7
190.57520	0.7
191.05627	1.3
193.05142	0.9
195.06612	1.0
201.09232	5.4
213.09204	5.5
215.07135	1.1
215.10817	1.4
220.07526	1.0
229.08752	3.0
231.10266	15.2
232.10616	0.8
233.11873	1.6
238.16652	0.6
245.08176	7.6
257.08191	3.4
261.11377	5.6
263.12857	17.1
264.13370	1.6
275.09134	3.5
379.88388	0.8
431.39780	0.8
449.14856	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61566	0.9
54.27690	0.9
55.97526	0.9
57.03437	0.9
59.01352	3.5
59.01628	0.9
61.98829	16.6
66.69391	0.9
69.14156	1.0
69.22115	8.3
69.22520	2.0
69.94848	0.8
71.01403	1.6
83.01379	1.8
87.00871	1.3
93.03442	3.0
125.02369	1.6
135.04478	1.1
140.10759	3.3
147.02971	7.0
154.22177	0.8
162.06813	0.8
169.01410	1.1
172.36398	0.9
173.04575	2.1
191.05629	1.0
219.44470	1.0
230.28011	1.0
317.21286	1.0
319.22745	100.0
320.23120	10.3
324.61008	1.0
467.18936	22.1
467.26120	1.7
467.28430	1.6
468.19028	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	467.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73958	0.4
59.01377	3.2
61.98830	4.0
69.85282	2.0
71.01379	2.4
72.99313	0.6
73.02928	0.5
79.95737	4.7
80.96505	1.1
85.02959	0.7
89.02431	1.0
93.03427	0.4
95.95224	5.7
96.96008	64.4
98.95580	1.3
99.91992	0.4
101.02445	1.1
122.97579	0.9
138.97072	1.2
143.03421	0.4
150.97044	1.5
152.98685	0.7
159.94467	0.3
164.98592	0.5
173.04591	0.6
177.04074	1.3
180.98087	1.1
191.05620	2.6
199.41403	0.4
213.00832	0.4
216.93106	0.4
225.00760	1.0
233.08089	0.4
241.00204	4.9
256.99719	1.5
287.14005	1.3
462.32794	0.4
467.15863	100.0
468.16165	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	467.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40466	0.7
59.01380	13.0
61.98815	2.6
63.01902	0.7
71.01382	2.0
71.52963	1.1
93.03465	2.3
99.04520	16.3
101.02434	0.9
101.25310	0.6
113.02393	0.8
120.99654	100.0
122.00012	1.4
125.02477	1.1
169.01398	1.4
173.04555	1.2
178.02649	1.0
191.05537	1.4
216.96336	0.7
307.17035	0.7
317.13895	1.2
381.22864	1.0
449.14655	2.1
467.17145	0.7
467.27130	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80201	0.3
59.01379	11.3
60.01710	1.2
61.01133	0.3
61.01839	0.3
61.98829	100.0
69.43491	2.0
71.01371	1.5
79.95727	0.8
80.96516	0.4
85.02953	0.6
89.02447	1.5
93.03511	0.3
95.95250	0.6
96.96008	8.9
96.96609	0.5
98.20648	0.7
98.95587	0.4
101.02438	0.9
113.02460	0.6
119.03542	0.6
120.03846	0.5
120.21331	0.3
136.04150	0.3
145.99628	0.3
173.04504	0.5
191.05594	1.8
241.00354	0.4
241.96141	0.3
244.16382	0.4
248.04010	0.5
266.14932	0.6
406.21634	1.0
466.14642	4.0
467.15826	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	467.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.5
61.98825	8.3
69.47334	5.9
71.01373	2.1
79.95737	3.4
80.96510	1.4
81.03480	0.7
82.43588	0.8
85.02955	1.5
87.00866	0.7
93.03450	2.0
95.95248	1.0
96.96011	63.9
98.20719	1.4
101.02402	1.2
119.63598	0.8
122.03728	3.7
122.70291	0.8
133.69833	0.9
138.97066	3.4
150.97015	1.4
155.03456	1.0
158.03738	1.0
159.04570	1.3
173.04559	3.2
180.98067	1.3
181.66064	1.0
187.07651	3.1
187.39459	0.8
191.05583	7.7
198.99248	1.3
202.06329	1.2
231.10297	2.8
241.00182	3.3
249.80688	0.9
266.15216	1.7
267.16010	14.2
268.16351	2.5
275.09235	11.1
276.09335	0.8
359.18695	0.9
429.21643	3.8
449.14566	3.4
467.15866	100.0
468.16092	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	465.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49500	0.9
59.01382	9.3
61.98832	18.4
63.90153	1.1
66.78954	0.9
70.78296	2.9
85.99148	1.0
125.02406	1.6
132.85123	1.0
134.36186	0.9
140.10847	3.1
147.02974	6.4
151.34775	1.0
160.84225	3.5
169.01350	2.0
186.93529	1.0
238.53612	1.0
279.10458	1.3
280.11484	1.7
281.17529	3.4
281.54639	1.0
299.13730	1.0
317.21194	100.0
318.21552	12.4
465.11218	1.3
465.17215	21.7
465.24860	1.3
465.26788	1.6
466.17496	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	466.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59781	0.4
58.82059	0.3
59.01384	3.8
61.98829	100.0
71.01389	1.0
71.10218	1.0
74.90710	0.4
79.28083	0.4
79.95734	1.0
80.96527	0.5
89.02455	0.6
95.95242	1.3
96.96014	12.9
101.02466	0.5
109.27628	0.3
113.02408	0.5
124.39587	0.4
173.04630	0.6
177.04121	0.4
191.05609	1.5
210.38702	0.4
241.00287	0.8
248.03734	0.5
266.14764	0.6
275.09293	0.5
342.52133	0.4
406.21457	0.4
466.14651	5.1
467.15863	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	465.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25836	0.5
57.03445	0.8
58.00582	0.8
59.01377	100.0
60.01712	1.3
61.98828	46.5
69.72822	3.2
71.01385	9.3
72.99301	0.5
73.02987	0.9
79.95736	1.5
80.96532	0.6
83.01392	0.6
84.87062	0.5
85.02959	2.5
85.11367	0.5
87.00845	0.6
89.02442	12.2
89.02949	0.9
95.95200	1.2
96.96005	24.2
98.19985	1.0
99.04478	0.7
101.02432	5.3
107.44320	0.6
113.02431	3.9
119.03496	6.6
119.06378	0.6
138.97115	1.9
143.03497	1.7
144.08102	0.5
149.04219	0.5
161.04561	2.2
167.10728	0.7
173.04523	1.0
179.05635	3.9
191.05576	4.4
198.99147	0.9
241.00233	1.6
243.15973	1.2
248.03860	0.7
249.54906	0.5
259.01413	0.6
265.14453	2.6
273.07639	1.3
290.64322	0.5
405.21216	6.6
406.21667	0.7
465.14328	38.0
466.14490	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	465.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73609	1.5
59.01366	7.4
60.99313	15.3
61.98830	3.8
62.14762	1.6
69.38944	9.8
69.39362	3.4
71.01381	1.8
75.58899	1.7
78.95907	2.6
79.12726	1.5
87.00877	3.7
88.00402	4.8
88.98804	100.0
89.02444	38.7
99.39121	1.7
100.81636	1.9
153.00931	1.9
179.33286	1.6
273.34381	1.7
347.77463	1.7
405.22568	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43589	0.3
57.03442	0.4
59.01376	3.4
61.98830	11.9
63.62614	0.4
69.44904	2.9
71.01374	1.8
75.81752	0.3
79.95731	5.1
80.96513	1.8
83.66850	0.4
85.02925	0.7
89.02452	1.4
89.31731	0.4
95.95232	7.1
96.96010	77.2
101.02455	1.0
113.02470	0.6
122.97570	1.3
138.97081	1.2
143.03537	0.6
150.97072	1.7
152.98668	0.4
158.11206	0.4
164.98581	0.5
177.03999	0.9
180.98152	1.3
191.05609	1.0
225.00751	1.5
241.00223	6.1
256.99677	1.9
294.18170	0.5
379.06570	0.4
395.10126	1.7
405.21255	0.5
465.14316	100.0
466.14618	12.3
466.19406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99691	0.3
57.12568	0.3
59.01383	1.9
61.98823	0.7
71.01376	0.8
96.96014	1.1
99.04523	3.0
101.38683	0.4
102.98621	0.3
113.02501	0.4
120.99654	100.0
122.00043	1.8
123.85419	0.4
162.63710	0.3
187.10892	0.7
207.63060	0.4
230.57066	0.3
235.50452	0.3
276.81668	0.3
277.11304	0.3
328.49252	0.3
457.33249	0.3
465.55054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63159	1.2
57.03447	5.3
58.00607	1.6
59.01380	100.0
59.69491	1.2
60.01697	1.4
60.44652	1.3
61.20814	1.3
61.98835	23.4
71.01385	24.8
71.09518	2.4
71.09876	1.4
72.99303	1.2
73.02943	2.1
80.81303	1.4
85.02937	6.6
87.00882	2.1
89.02443	36.9
94.35467	1.2
95.01376	2.4
96.26495	1.2
96.96015	16.0
101.02448	16.5
103.66542	1.2
113.02429	10.6
119.03510	13.7
131.03510	2.5
134.07362	1.6
143.03474	2.7
147.36752	1.7
149.09697	12.2
161.04564	7.2
167.10780	20.9
179.05644	11.3
189.26881	1.5
191.05617	4.6
191.50330	1.4
193.16219	1.4
225.14934	3.9
243.15984	5.3
274.34143	1.5
332.11041	1.5
405.21259	35.3
406.21585	3.5
427.19708	1.5
465.14392	17.4
466.14624	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	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
59.01377	100.0
60.01725	1.4
61.98829	36.6
69.22208	3.7
69.22615	1.1
70.09672	0.5
71.01382	9.3
72.99321	0.6
73.02934	0.7
79.95739	0.8
83.01444	0.7
85.02940	2.3
87.00897	0.6
89.02445	12.1
95.95244	1.3
96.96007	25.0
101.02450	5.4
113.02430	3.4
119.03484	5.7
122.97570	0.6
131.03532	1.4
138.97069	1.6
143.03508	1.3
161.04562	1.9
167.10783	0.5
173.04631	0.5
179.05594	3.5
191.05592	4.5
198.99152	0.9
217.32108	0.5
241.00157	1.7
243.15977	1.9
265.14435	2.0
273.07736	1.1
381.12613	0.5
405.21320	6.5
406.21521	0.7
412.73776	0.5
465.14322	37.9
466.14709	3.7
487.72131	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	33.3
61.98830	100.0
63.58471	1.0
65.71657	0.8
69.24590	3.6
69.25021	5.2
71.01376	3.2
78.95883	1.5
80.16103	1.2
80.78421	0.9
85.02946	2.1
87.00861	2.4
87.40207	1.2
89.02441	1.8
93.03497	1.0
93.74583	1.1
96.95998	1.1
101.02427	1.9
113.02430	1.2
120.99647	7.9
126.42928	0.9
161.04469	1.1
174.85651	1.2
191.05595	2.8
315.18137	2.0
341.16089	1.0
343.19055	1.1
399.09381	1.0
460.86484	1.1
463.26419	1.2
464.26492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
69.43429	2.8
79.95734	19.6
80.96516	28.0
85.02945	0.6
87.00861	0.6
93.03458	1.7
95.95233	13.3
96.96012	100.0
97.69939	0.5
100.07168	0.5
109.03008	0.5
110.97574	1.7
121.02957	0.7
123.00920	0.5
127.85283	0.5
135.00908	1.1
135.04526	1.3
137.02431	1.9
146.03714	1.3
147.04504	0.9
149.06071	1.0
161.06183	0.5
162.03186	3.8
163.00378	2.5
163.04021	10.0
164.04642	0.7
173.04553	1.0
175.03955	0.7
177.05569	7.9
179.07135	1.6
190.99857	11.0
191.05630	5.1
192.00639	9.7
193.01233	1.5
206.02199	10.5
207.02972	9.6
208.03337	0.8
218.02138	1.7
242.99690	3.6
244.00334	1.2
257.01215	1.4
258.02029	38.9
259.02759	11.5
260.03329	0.6
465.04807	43.8
465.14465	1.5
465.26511	2.6
466.05008	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03040	0.3
59.01376	0.5
69.49288	1.6
69.49696	0.7
79.95738	13.0
80.96520	14.1
87.00882	0.6
95.95236	6.1
96.96014	100.0
99.04485	0.6
107.01359	0.3
110.97602	0.6
134.03712	0.6
135.00900	0.6
135.04495	1.4
137.02463	0.9
139.11292	0.8
146.03758	0.5
149.06036	0.6
162.03221	1.0
163.00381	1.1
163.04008	4.8
164.04759	0.5
167.03427	0.4
177.05547	3.8
178.02792	0.8
179.03487	1.1
179.07164	0.7
183.10243	0.3
190.99866	5.4
191.05600	0.7
192.00641	4.9
193.01299	0.4
201.11331	0.7
206.02206	5.3
207.03000	3.7
218.02263	0.7
240.65021	0.3
242.99631	1.7
244.00429	0.7
257.01248	0.5
258.02011	15.6
259.02734	5.8
325.07288	1.3
333.15585	0.5
340.09610	1.1
345.80997	0.4
355.11859	0.4
429.18170	0.4
465.04858	14.8
465.09366	7.3
465.18927	0.7
465.26724	0.9
466.04944	1.2
466.09525	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43148	0.4
58.29493	0.4
59.01379	4.9
61.98829	100.0
69.36207	1.7
69.36639	1.8
71.01381	1.3
88.16281	0.4
89.02458	1.0
101.02448	0.6
113.02403	0.5
134.62642	0.4
135.67805	0.5
161.04512	0.7
168.23944	0.4
243.16139	1.1
341.36536	0.5
374.18964	0.5
404.19421	0.7
405.21237	0.9
406.45969	0.5
465.14532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.4
61.98831	100.0
69.69258	2.5
69.88847	0.4
71.01381	2.0
74.03301	0.4
79.95747	4.2
80.96506	1.3
85.02937	0.7
87.00882	0.5
88.80710	0.4
89.02445	1.0
90.72893	0.4
95.95230	3.6
96.96013	54.4
99.00002	0.5
101.02441	1.6
122.97583	1.0
138.97083	0.8
150.97047	1.2
152.33974	0.4
162.20714	0.4
162.98010	0.4
164.98648	1.0
165.44867	0.4
177.03940	0.6
180.98163	0.5
191.05577	0.7
196.64679	0.5
219.45589	0.4
225.00729	0.9
241.00179	3.9
256.99713	1.6
395.10138	0.9
401.18188	1.5
465.14334	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65685	1.2
59.01107	1.8
59.01377	20.8
60.99317	1.3
61.98830	100.0
63.70803	1.1
69.65003	4.8
69.65417	3.0
69.75626	1.1
71.01375	4.4
73.02940	3.7
78.95907	6.4
85.02931	2.1
87.00880	15.6
88.00401	3.2
88.04007	1.5
88.98804	8.9
89.02450	5.2
93.03490	2.2
99.32188	0.9
101.02443	5.4
113.02428	2.0
130.85777	1.2
149.04492	1.4
167.53290	1.1
170.94296	1.2
173.04591	2.1
175.26901	1.1
191.05621	4.9
221.36346	1.3
303.19568	4.6
333.61142	1.1
369.66370	1.1
405.11670	1.5
465.14252	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	464.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	21.1
61.98831	100.0
69.30317	9.5
71.01373	1.6
72.04589	1.1
77.04422	1.0
78.95896	1.4
85.02976	1.4
87.00831	1.4
101.02454	1.9
104.41142	1.1
132.30627	1.2
167.16219	1.0
191.05630	2.2
207.48260	1.1
215.39299	1.1
289.66370	1.3
315.17929	2.3
464.25934	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70107	0.5
59.01073	0.8
59.01380	22.8
61.98830	100.0
67.06038	0.5
70.90632	0.4
71.01386	1.6
71.05023	0.4
73.02956	1.0
74.02480	0.7
78.95906	0.6
85.02943	1.0
101.02449	1.3
104.03536	5.1
104.04063	0.4
113.02464	1.0
161.04596	1.2
174.04111	1.7
191.05705	0.6
245.38097	0.4
252.33388	0.6
289.72586	0.5
315.18100	3.6
357.19202	2.2
464.28284	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	1.0
59.01381	47.9
61.98831	100.0
67.62365	1.1
69.31784	6.7
69.32191	2.2
71.01389	14.7
73.02977	1.1
85.02939	3.7
87.00875	3.5
89.02448	16.1
95.01393	1.8
99.04519	2.4
101.02447	12.5
113.02422	6.8
119.03486	6.6
131.03531	1.0
161.04640	1.9
191.05505	1.6
285.18600	3.4
303.19818	1.1
464.26880	1.6
465.24893	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43986	1.2
61.98825	1.6
71.01385	1.3
73.62826	1.3
75.83680	1.0
79.79050	1.3
83.49312	1.2
98.19819	2.3
101.02451	5.1
104.79526	1.3
107.87815	1.2
125.02439	1.4
146.16806	1.3
161.04596	2.5
232.88676	1.5
301.21713	100.0
302.22034	12.3
349.51077	1.4
378.50082	1.3
463.24326	2.6
463.34140	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	463.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54694	1.0
67.05106	0.9
69.96525	2.5
69.96906	2.1
70.09073	1.0
71.01383	1.6
73.54008	1.0
77.91782	0.9
79.42605	1.1
100.75916	1.1
101.02443	4.0
119.61597	0.9
153.64993	1.0
157.22353	1.0
161.04552	1.6
301.21719	100.0
302.22037	10.2
353.48700	1.1
355.48727	1.0
383.10803	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.5
70.33421	1.0
71.52515	1.4
73.71597	1.2
78.95887	1.2
84.73360	1.0
93.03456	1.7
96.52600	1.1
99.04528	1.3
105.03415	1.1
117.03425	1.9
121.02980	2.3
121.38615	1.0
132.02177	6.0
133.02956	18.2
134.03740	44.5
135.04533	21.4
137.02419	8.2
139.03987	3.5
149.00072	3.3
149.06030	4.6
150.03174	1.3
160.01651	33.4
161.02441	17.8
161.06088	3.1
162.03050	1.3
169.01367	1.2
175.03992	78.4
176.04362	3.1
178.02676	3.6
179.03499	11.4
193.05058	19.3
194.98851	12.4
197.98193	0.9
269.21210	3.0
271.02399	1.7
287.22290	9.0
300.02759	2.7
300.99838	2.5
301.03336	2.1
361.20190	2.4
431.24155	5.2
432.25024	1.4
463.10822	6.7
463.26965	100.0
464.27386	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	464.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24767	0.6
57.03453	0.9
59.01377	28.9
60.01713	1.5
61.98829	100.0
69.47048	2.2
69.47474	1.8
71.01390	5.7
72.32280	0.5
72.99294	0.5
73.02934	1.0
79.95734	0.9
80.30987	0.5
80.96555	0.7
83.01404	0.5
84.67039	0.6
85.02948	1.1
89.02441	5.0
90.02835	0.6
95.95238	1.6
96.96011	16.8
98.19901	1.2
101.02424	3.4
107.87630	0.5
113.02461	2.4
113.03823	0.6
119.03509	2.2
122.03777	1.1
123.04477	0.6
137.02615	0.6
149.06100	1.7
161.04581	2.6
162.45470	0.6
165.09196	1.0
165.87041	0.5
167.24724	0.6
179.05566	1.3
191.05673	2.3
193.08743	1.5
229.12434	1.0
241.00314	1.1
243.16090	2.1
247.13466	0.7
264.13715	0.7
265.14432	10.2
266.14777	8.2
401.18375	1.8
405.21152	4.0
427.19778	1.2
428.20230	1.9
464.18027	0.6
465.14310	24.8
483.23007	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
57.03428	1.1
58.00595	0.9
59.01380	40.7
61.20199	0.8
61.98837	1.9
67.63648	0.8
69.35434	2.0
69.35845	3.9
71.01380	14.8
71.96662	0.7
73.02940	4.9
83.01387	3.1
85.02950	7.5
89.02446	4.9
94.84489	0.8
95.01385	1.0
99.00871	2.7
101.02450	12.4
113.02457	6.9
119.03462	0.9
122.03770	0.8
129.01894	0.9
129.77107	0.8
150.06914	1.3
151.07629	1.0
159.02992	1.5
161.04547	3.4
174.34860	0.9
176.08414	1.7
191.05672	1.2
223.13206	0.8
226.01688	0.7
241.07269	1.5
241.14430	1.5
261.38065	0.9
265.14474	3.3
385.18732	1.0
403.19696	100.0
404.19977	10.8
419.15698	2.9
427.19727	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00524	0.5
55.01881	0.7
57.03429	1.3
59.01378	24.5
60.01684	0.6
61.98833	4.0
69.03437	0.6
69.23023	4.4
71.01377	13.0
72.99290	1.0
73.02961	2.9
77.21617	0.6
79.95748	0.5
81.03465	0.6
83.01369	1.6
84.95118	3.9
85.02940	4.4
87.00867	7.1
89.02444	2.3
93.03445	2.5
95.01391	1.1
96.95997	1.4
97.02962	0.8
98.19836	1.2
99.00899	1.3
99.04508	2.9
101.02451	5.3
111.00857	0.9
113.02444	4.1
119.03472	0.9
119.05006	4.4
123.00885	2.0
125.02451	0.8
132.96046	0.5
137.02423	1.2
139.11278	0.5
145.52325	0.5
149.99608	0.7
151.00386	1.3
155.10896	0.6
161.04567	0.7
165.01910	12.0
167.10716	0.5
173.04536	0.8
180.04271	12.1
181.04608	0.5
191.05618	2.4
195.06615	25.8
196.06920	1.6
209.11707	0.7
221.19060	12.9
222.19434	0.8
229.08749	0.5
236.24298	0.5
239.20099	1.4
257.08310	0.6
257.21146	0.8
259.09689	1.1
265.18100	7.6
266.18362	0.6
271.06009	0.5
283.19110	11.6
284.19452	0.9
285.07745	0.9
301.10822	13.6
301.20175	13.9
302.20483	0.8
343.21121	0.8
350.27652	0.6
363.10941	1.2
427.23413	0.6
433.11392	0.6
445.24442	3.1
452.61145	0.5
463.25482	100.0
464.25797	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	463.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31784	0.6
57.03437	0.6
59.01382	4.9
69.03450	2.4
70.13972	1.8
71.01382	2.5
73.02946	2.0
75.18519	0.7
75.92937	0.6
83.05019	3.6
87.00874	1.6
88.90533	0.7
89.02451	4.9
93.03502	0.9
101.02433	1.4
103.03993	1.4
111.32086	0.7
127.54362	0.6
131.03510	1.2
137.09726	14.9
138.10048	1.0
149.04555	20.8
155.10774	100.0
156.11090	4.2
173.04491	0.8
181.08754	2.0
191.05534	1.7
199.09746	62.5
200.10077	2.9
209.11783	0.8
227.12897	2.7
241.95720	0.7
253.09213	0.7
313.12842	1.5
331.13965	36.4
332.14349	2.8
373.14999	0.8
463.18176	39.4
463.25064	2.5
464.18588	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48537	2.4
55.01872	3.3
57.03436	6.8
59.01382	100.0
61.98829	26.9
69.03469	3.3
69.94151	6.6
69.94556	6.6
71.01389	41.4
72.99323	3.3
73.02940	7.5
85.02943	9.4
87.00838	3.1
89.02438	37.9
97.02937	2.9
101.02449	24.2
112.25371	2.5
113.02448	14.9
119.03497	18.1
122.03749	5.1
123.04501	3.2
123.08171	4.4
135.08215	2.7
139.07640	15.1
143.03418	4.4
148.81102	2.2
149.06049	9.6
153.09235	4.1
161.04567	9.4
163.11348	2.6
168.46591	2.6
171.96677	3.0
179.05608	10.1
191.05637	5.6
193.08701	6.6
193.12311	6.9
193.13985	2.5
205.12347	12.1
223.13283	3.4
229.12271	3.0
241.14462	50.6
242.14771	2.6
264.13638	2.4
265.14444	50.4
266.14914	3.3
283.07437	2.5
331.13889	5.2
385.18716	7.3
403.19675	57.1
404.19955	6.3
427.19568	11.5
463.17264	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40588	0.3
59.01382	0.8
61.98807	0.7
62.96404	1.4
68.60178	0.3
70.64262	0.8
70.64603	0.3
78.95895	7.8
78.96332	0.6
85.85947	0.3
105.01859	0.4
118.23957	0.3
131.50594	0.3
146.96587	0.3
149.00089	35.1
150.00468	0.6
184.07022	0.3
194.98851	100.0
195.99187	3.3
228.04639	0.7
238.84657	0.3
255.13963	0.6
295.22876	0.7
317.21344	0.4
425.05515	0.3
463.11136	61.6
464.11481	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	463.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13595	3.4
51.24234	4.2
59.01374	77.0
61.98824	6.4
66.99178	3.4
69.47992	27.9
69.55614	3.7
71.01373	17.9
73.02937	7.6
75.00864	42.8
83.01391	4.1
85.02934	7.7
89.02445	6.1
101.02445	17.1
103.12614	3.4
113.02479	8.8
119.03489	4.8
149.06055	4.4
151.07634	4.1
155.10779	14.5
161.04576	8.8
176.08394	31.6
177.09166	16.6
189.09193	7.0
191.05566	18.5
191.10742	7.8
199.09781	11.0
209.11945	5.6
215.12915	4.9
216.46693	3.4
219.10072	3.8
264.13620	14.0
265.14410	100.0
266.14825	10.0
271.06229	6.2
324.55319	4.4
331.13922	6.4
343.16910	4.7
373.31598	4.7
427.19604	28.0
428.19821	5.5
463.17184	16.7
463.23172	17.1
463.33716	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	463.174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19335	0.6
59.01382	5.8
61.98826	1.1
65.00311	1.3
69.55856	3.2
71.01355	2.0
73.02916	2.0
83.01358	0.9
83.05032	0.7
85.02927	1.0
89.02375	0.6
98.20564	1.2
101.02442	1.1
107.01402	3.2
108.02135	1.8
109.02939	2.2
121.02937	2.0
124.01657	0.7
125.02448	0.7
132.08279	0.6
135.00899	1.1
136.01563	0.6
148.01646	1.7
149.04489	0.7
151.00357	11.8
155.10757	3.2
163.00328	1.3
164.01114	1.2
178.09528	0.6
178.99785	5.4
190.05153	0.6
191.05588	1.7
198.03181	0.6
199.03986	1.0
199.09717	1.3
211.03961	0.7
214.02628	0.7
215.03491	0.8
226.02635	2.4
227.03459	3.5
227.12955	0.9
243.02959	13.3
244.03419	1.4
245.04436	1.2
254.02245	2.0
255.02957	26.2
256.03339	2.3
262.86707	0.7
265.14468	1.0
271.02472	62.0
272.02908	6.3
273.03769	1.0
283.02490	1.5
299.01932	1.5
300.02740	100.0
301.03448	46.4
301.06543	0.9
302.03906	3.7
324.71375	0.7
463.08832	64.6
463.17191	8.6
463.22095	1.6
464.09149	7.2
464.16684	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93195	2.8
56.68676	3.0
58.09717	2.8
59.01390	20.7
61.98816	2.7
69.29121	9.7
69.29542	17.0
71.01372	8.4
73.02962	4.0
83.05021	3.2
85.02939	3.4
89.02455	8.6
89.44528	2.7
101.02441	6.6
102.05631	4.8
113.02434	5.4
122.03782	2.5
148.04073	3.5
148.05225	3.8
149.06073	12.9
155.10765	9.1
161.04570	5.4
166.59395	3.3
176.08435	55.8
177.08945	2.9
191.05609	5.9
191.10774	41.2
192.11145	3.5
196.61012	3.0
205.08632	3.1
209.11813	35.0
227.12827	9.6
233.15450	3.9
236.05582	6.6
253.09308	5.0
264.17270	2.9
265.14453	100.0
266.14746	7.8
271.06213	4.5
287.14999	6.8
427.19678	6.7
428.18936	4.6
445.20566	4.3
446.19293	3.5
463.17004	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	462.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42036	0.8
59.01380	20.7
61.98832	100.0
70.06001	0.8
71.01383	1.8
71.54019	0.7
75.57761	0.7
85.02948	1.5
87.00854	3.0
89.02462	0.8
99.04555	0.7
101.02444	1.6
113.02485	1.0
154.66394	0.9
159.62086	0.9
161.04533	1.2
165.01955	2.4
180.04256	2.0
195.06631	3.7
277.75775	0.8
301.10831	2.9
313.16483	1.6
364.44064	0.8
463.25345	5.2
484.19183	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	463.0879
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
58.99609	0.5
59.01378	6.1
61.98830	1.0
63.02394	0.5
64.74791	0.4
65.00324	1.3
65.45102	0.4
66.19278	0.5
69.79436	1.5
69.79847	1.0
71.01390	1.7
73.02937	2.0
76.48004	0.6
83.01385	1.2
93.03466	0.6
98.20549	0.6
101.02453	1.1
102.16871	0.6
107.01408	2.7
108.02200	1.9
109.02937	1.8
113.02433	0.6
114.26364	0.4
121.02952	2.4
131.78340	0.4
135.00841	1.5
148.01645	1.5
151.00375	11.4
155.10815	0.7
163.00380	2.5
164.01172	0.8
178.99866	5.7
187.03923	0.7
191.05658	0.8
192.00636	0.6
198.03288	0.6
199.03943	0.7
199.13463	0.6
203.03439	0.6
209.11746	0.6
211.03969	1.1
215.03546	0.7
216.04164	0.9
226.02705	2.2
227.03453	3.7
227.12941	0.7
239.03305	0.5
243.00497	0.6
243.02988	10.5
244.03572	0.7
245.04474	1.7
254.02208	2.9
255.02983	28.8
256.03418	1.5
265.14517	1.0
271.02466	65.8
272.02875	6.8
273.03864	0.8
283.02460	0.9
299.01907	2.0
300.02737	100.0
301.03461	48.8
302.03836	3.5
343.04584	0.7
445.21033	0.7
463.08798	67.5
463.17041	4.9
464.09192	9.1
464.16446	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.6
61.98832	1.1
69.92648	3.9
72.69639	0.8
98.19997	1.0
99.04519	100.0
100.04841	2.1
100.95462	0.8
106.54572	0.8
207.10236	3.7
225.11267	2.3
263.26215	0.9
299.19962	1.3
351.17526	0.8
433.55222	0.9
461.19669	1.6
461.25394	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2549
Annotation	Incisagenin
Peak:m/z	Relative Intensity
59.01151	0.2
59.01377	2.2
61.98799	0.5
71.01379	0.9
79.95730	0.3
82.95418	0.8
83.05078	0.2
85.02967	0.6
93.03463	0.3
96.96021	1.5
99.65984	0.2
101.02424	0.5
109.06577	0.4
113.02432	0.4
115.92077	0.4
121.02939	0.6
124.98788	0.7
126.25813	0.2
147.71339	0.2
150.74313	0.2
152.98305	0.8
168.00615	0.6
183.02939	1.5
192.02531	0.2
207.10249	1.0
225.11169	0.5
227.85190	0.2
265.09024	0.5
272.63297	0.2
275.12100	0.2
299.19962	0.4
317.21033	0.4
355.30609	0.2
461.25439	100.0
462.25793	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	462.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42036	0.8
59.01380	20.7
61.98832	100.0
70.06001	0.8
71.01383	1.8
71.54019	0.7
75.57761	0.7
85.02948	1.5
87.00854	3.0
89.02462	0.8
99.04555	0.7
101.02444	1.6
113.02485	1.0
154.66394	0.9
159.62086	0.9
161.04533	1.2
165.01955	2.4
180.04256	2.0
195.06631	3.7
277.75775	0.8
301.10831	2.9
313.16483	1.6
364.44064	0.8
463.25345	5.2
484.19183	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	461.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66810	1.3
56.64925	1.3
57.03447	3.9
59.01378	100.0
60.01724	1.7
69.44593	5.3
69.44999	4.8
71.01382	27.9
71.07132	1.3
72.99296	1.7
73.02952	4.3
83.01373	2.0
85.02943	8.8
89.02443	21.0
95.01398	1.5
99.00873	3.4
101.02430	16.4
108.02170	3.7
113.02428	13.2
119.03500	7.1
121.06616	2.0
122.03771	2.0
123.04516	2.8
124.05281	5.7
128.56848	1.5
137.06116	4.0
139.07648	46.8
140.07962	2.0
143.03484	3.3
149.09792	2.9
152.01140	5.3
159.03001	2.0
161.04541	25.8
167.03497	16.1
168.07922	25.3
175.04288	1.8
179.05582	4.5
179.10789	1.6
191.10785	21.9
192.11049	1.4
195.95538	1.3
209.11792	9.2
221.11806	15.5
239.12883	37.1
240.13274	1.8
329.08813	2.5
371.17047	8.7
372.17468	1.8
401.18115	43.8
402.18384	4.3
416.96674	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	461.13
Annotation	Saccharumoside C
Peak:m/z	Relative Intensity
53.15623	0.4
56.36951	0.3
59.01381	2.3
61.98830	0.8
69.85362	1.6
71.01373	2.0
73.02958	1.1
85.02947	0.5
87.04514	0.6
89.02445	1.0
91.56979	0.3
92.04669	0.3
94.50093	0.3
96.96015	1.2
98.20669	0.4
99.00888	2.3
101.02439	1.7
102.04234	0.3
108.02176	26.1
109.02444	0.8
110.80987	0.3
113.02455	1.1
123.04524	14.0
124.04868	0.5
137.02463	0.5
138.95860	0.4
152.01151	61.8
153.01538	2.2
161.04536	1.3
167.03493	100.0
168.03825	4.8
191.05603	1.0
209.04544	0.4
216.22797	0.4
220.04828	0.4
293.08215	0.4
295.64520	0.4
299.14938	2.2
311.07697	0.5
329.08786	2.2
341.08817	0.4
353.89938	0.4
417.14270	0.4
445.96063	0.5
461.12979	26.4
462.13510	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	461.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88557	1.0
53.34043	1.0
59.01378	45.2
69.03455	3.6
70.47687	2.7
71.01368	7.2
72.97507	1.3
72.99319	1.3
73.02937	4.9
80.40058	1.2
80.96504	4.6
82.96095	6.5
85.02940	3.4
87.00896	2.7
89.02439	11.7
93.03436	1.7
99.04539	2.7
101.02415	3.3
103.04011	2.5
113.02456	2.9
117.03455	2.1
118.98064	2.5
131.03494	2.0
135.08157	11.2
148.07747	1.4
149.03369	1.8
149.04555	43.6
153.09213	100.0
154.09557	5.6
163.00323	2.7
166.61475	1.2
179.07149	2.1
191.05577	3.3
197.08180	48.5
198.08505	3.6
201.81313	1.1
207.10069	1.6
225.11255	4.6
227.03424	1.5
238.83711	1.1
243.12222	1.4
255.02995	1.9
269.13956	2.1
283.02460	22.3
284.02905	3.1
285.04138	1.5
297.04068	1.8
298.04596	1.5
311.11453	3.8
329.12411	50.1
330.12650	4.3
335.53201	1.3
408.26178	1.3
446.07999	1.5
451.19861	1.4
461.10855	16.6
461.16577	38.1
461.23785	12.7
462.11017	2.4
462.17004	5.6
462.23547	1.3
466.33914	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15127	1.5
56.77471	1.7
57.03456	2.5
57.98517	1.7
59.01380	100.0
69.80938	3.0
69.81353	7.1
71.01381	33.5
73.02932	6.3
81.03484	2.4
83.01397	2.0
85.02502	1.5
85.02936	8.7
87.00864	1.9
89.02448	19.7
91.82423	1.6
95.01345	1.7
98.20690	1.8
99.00876	3.2
101.02444	17.6
104.71123	1.6
108.02212	3.3
113.02448	12.2
119.03510	8.9
122.03760	2.1
124.05288	5.8
137.06035	2.2
139.07655	49.6
143.03468	1.8
149.09744	2.2
151.64819	1.6
152.01149	4.7
154.89040	1.6
159.02963	1.5
161.04562	19.8
167.03520	8.5
168.07922	23.0
173.14268	1.6
173.84518	1.5
175.07652	1.7
179.05626	4.6
179.10719	2.4
181.10097	1.8
191.10805	25.2
209.11865	11.1
221.11815	13.3
239.12877	39.8
371.17062	9.4
401.18176	44.0
402.18475	3.9
461.19907	5.1
479.44666	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	461.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94326	0.7
57.03442	1.3
59.01376	77.1
61.36910	0.8
61.98832	8.1
62.96872	0.8
69.28535	1.3
69.28938	5.6
71.01385	10.5
71.05029	1.1
72.99297	1.5
73.02943	5.1
74.99133	1.3
75.00879	1.0
80.96510	1.0
84.96503	0.7
85.02940	3.0
85.06577	1.0
87.00891	0.9
89.02454	4.7
96.95991	2.7
98.95587	2.9
98.96386	0.8
99.00877	3.5
101.02425	6.5
109.02979	1.1
113.02460	3.9
119.03463	1.2
120.99651	26.2
125.06087	1.1
129.05556	1.4
131.03474	1.0
131.07137	5.8
132.07475	1.5
149.04530	2.3
151.04045	1.0
153.07018	0.8
161.02386	4.4
161.04497	4.6
163.04024	1.2
164.04787	5.0
170.00449	0.8
177.00208	1.0
179.07121	7.2
179.98851	64.7
180.99640	33.9
181.03185	2.8
182.00052	1.0
191.05672	1.2
194.00418	1.8
195.01196	100.0
196.01941	21.4
197.02591	1.4
209.02745	3.6
210.03540	68.2
211.04297	24.6
212.04607	1.5
214.10867	1.5
215.11145	0.9
225.11224	2.3
239.07469	4.5
275.95023	0.9
298.12482	7.5
299.05927	18.9
299.13181	3.5
300.06149	0.9
314.89987	0.8
328.17392	1.0
329.17853	1.2
343.04990	8.9
356.05838	1.0
358.07193	1.8
373.09576	93.3
374.10019	8.7
401.21747	1.5
461.11172	27.6
461.18967	15.5
462.11652	3.3
462.19327	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	461.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94125	0.4
59.01378	6.8
61.98816	0.5
69.50984	3.0
71.01355	1.4
79.95699	0.6
89.02435	0.9
90.98611	0.6
91.70843	0.4
96.96008	3.3
101.02427	1.0
118.98104	0.7
120.99653	13.3
137.02423	0.6
139.02235	0.7
139.99335	0.7
151.02232	1.0
154.98082	1.1
161.02435	3.3
161.04474	0.6
162.03308	0.7
163.04053	1.5
164.04787	76.0
165.05109	4.3
170.00430	2.3
177.00128	0.9
177.05540	1.5
179.07129	100.0
179.17088	0.5
179.98853	7.8
180.07449	5.4
180.99635	15.6
181.03195	2.5
181.99870	0.9
194.00417	0.6
195.01205	13.5
196.01981	23.4
197.02295	0.9
207.10252	0.7
209.02631	0.7
210.03500	0.7
211.04327	23.4
212.04579	1.6
215.88931	0.5
225.11342	1.4
299.05890	8.3
341.12366	36.0
342.12665	3.5
358.07297	2.3
372.76428	0.5
373.09613	14.8
374.09952	1.3
442.55103	0.6
457.07794	0.6
461.11429	5.0
461.18167	1.0
461.24506	1.1
462.11478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1092
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
57.03435	0.8
57.56281	0.7
59.01380	11.0
60.18237	0.7
60.56723	0.7
62.88637	0.6
65.00327	1.8
68.76281	0.8
69.03446	1.1
70.17842	2.7
71.01372	1.3
73.02939	1.0
80.96490	3.4
81.75620	0.7
82.96101	5.1
85.02941	1.0
89.02439	3.0
99.04504	1.8
108.57372	0.8
117.03436	5.6
118.03748	0.7
119.03516	0.9
131.03511	0.7
135.00890	2.3
135.08173	2.6
149.04555	13.6
153.09215	33.0
154.09547	1.5
159.04536	1.0
163.00372	7.0
164.41388	0.7
164.98279	2.6
179.07175	1.2
183.04483	3.5
187.03940	0.7
197.08156	13.3
211.03992	2.0
227.03442	4.1
239.03317	1.0
243.12381	2.1
255.02974	42.2
256.03314	2.8
269.04544	5.3
281.04785	0.8
283.02466	81.1
284.03076	16.3
285.03970	7.5
297.04044	16.7
298.04691	9.2
299.05594	8.9
300.05908	0.9
313.03528	2.3
315.58881	0.8
329.12411	16.3
330.12839	1.2
446.08524	8.3
447.08624	1.2
461.10837	100.0
461.16583	12.0
462.11194	11.6
462.17062	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	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37479	0.2
55.01868	0.6
56.09693	0.3
57.03442	0.7
58.00599	0.6
59.01379	100.0
60.01715	1.1
61.98836	0.8
62.90718	0.3
65.03992	0.3
71.01382	15.5
71.53416	0.5
72.99323	0.4
73.02941	4.3
79.95755	0.3
80.96529	0.4
83.01376	2.1
85.02955	4.2
87.00901	0.7
88.74351	0.3
89.02442	5.8
91.01893	0.6
95.01403	1.2
96.96013	0.8
98.95590	0.4
99.00912	1.0
99.04535	0.5
101.02444	7.7
102.38429	0.3
109.02949	7.5
110.03339	0.4
111.00842	0.3
112.06116	0.3
113.02454	5.5
115.05119	0.5
115.92086	0.6
119.03522	2.1
129.05573	0.4
130.08788	0.4
131.03491	0.4
133.14247	0.3
135.00903	1.0
143.03528	0.8
143.11871	0.6
153.01932	4.5
159.02971	0.4
161.04538	3.5
179.05621	0.8
191.05606	0.5
231.67551	0.3
242.18791	0.4
255.19638	1.6
310.42123	0.3
315.07260	0.8
369.08636	0.4
385.21066	0.5
399.23831	2.2
400.24310	0.4
415.22067	0.7
417.24915	8.5
418.25296	0.9
459.11469	4.6
459.17557	0.4
459.25986	1.3
460.11285	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75385	1.0
55.01874	2.8
55.83483	0.9
57.03440	3.5
57.10754	0.9
59.01378	20.3
61.98823	4.4
66.17030	1.0
69.03464	3.6
71.01390	4.5
71.05035	4.6
72.99327	1.3
73.02953	6.9
74.65976	1.0
79.95724	5.1
80.96514	2.4
81.95306	8.7
81.96087	1.3
82.96110	3.4
83.05027	3.6
84.08176	1.5
85.02961	3.1
85.06586	38.6
86.02464	2.4
87.00854	1.9
87.08164	1.3
88.17049	1.0
89.02445	4.7
93.03442	1.6
95.05035	4.0
95.95248	4.9
96.96011	41.3
97.94812	10.6
97.95892	1.6
98.95592	94.0
98.96423	15.2
99.00881	78.6
99.01841	1.1
99.04519	1.2
100.01212	1.7
100.96049	1.5
101.02433	3.8
103.04019	1.1
109.02496	1.2
109.06590	7.0
111.04510	12.8
111.08144	4.4
113.02448	1.9
113.06087	20.7
114.05586	4.5
114.09248	20.0
119.03503	1.1
121.02961	8.4
122.03271	3.1
122.09756	3.8
122.97538	1.6
123.08176	1.1
124.97141	6.7
124.97943	1.3
127.07652	3.7
129.05586	19.6
131.03487	3.1
131.07141	100.0
132.07472	3.5
135.04532	1.3
140.10841	5.8
143.10780	1.2
149.04567	15.9
150.03210	1.2
151.03505	1.3
151.07477	1.1
152.10739	2.4
156.10295	3.3
158.08246	5.1
161.04520	2.7
162.03249	1.5
163.03789	1.1
164.10782	1.8
165.05589	1.5
166.06346	17.9
167.06693	17.9
168.06808	3.6
169.08685	1.7
171.06592	11.5
172.09843	6.9
174.11325	22.8
178.12329	3.6
181.08752	4.7
182.09027	3.3
184.09642	1.4
187.09708	4.9
191.05560	2.6
196.09764	3.1
214.10846	64.8
215.11169	3.5
222.14685	1.0
225.11186	1.2
231.66353	1.0
243.06505	1.0
243.16113	1.5
258.18054	1.0
261.02185	1.1
275.02448	1.3
276.02615	2.0
277.01935	7.5
278.02429	7.8
328.17657	51.6
329.17929	4.9
356.78958	1.0
401.17960	1.0
460.11954	69.1
460.21912	33.5
461.11929	6.4
461.21332	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	460.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.5
57.03441	3.1
59.01380	18.9
60.38089	1.4
61.98835	5.0
69.03462	2.6
69.46354	4.9
69.46765	4.7
71.01380	8.9
71.05019	2.2
72.99297	3.9
73.02949	8.9
85.02943	3.7
85.06584	17.3
86.02477	6.5
86.06084	1.7
86.39867	1.5
87.00867	1.6
89.02434	7.5
95.05029	4.3
96.04558	3.1
96.96005	6.2
97.06599	1.4
98.02499	2.0
98.06126	1.5
98.58297	1.6
98.95607	2.6
99.00880	48.0
100.01195	2.1
101.02457	3.6
109.06583	4.2
111.04523	55.8
111.08151	4.5
112.04874	2.6
113.02483	1.8
113.06096	26.8
114.05621	9.8
114.09260	7.1
116.07207	1.8
119.03484	2.2
121.06524	1.6
121.34525	1.3
122.09750	2.1
126.49128	1.3
127.07655	5.9
129.05582	12.5
131.03583	2.0
131.07140	17.7
140.10826	4.2
142.05177	1.5
149.04561	22.5
154.08733	5.5
156.10310	13.4
166.93571	1.3
170.08145	1.7
171.06645	9.9
172.09822	17.2
174.11356	87.1
175.11664	2.6
178.12329	4.2
191.05605	3.0
195.01213	1.8
196.09779	3.5
208.13411	2.1
214.10831	29.3
215.11067	1.9
225.11337	3.0
228.16006	3.9
240.12488	1.8
281.13879	1.7
310.16562	2.1
328.17639	100.0
329.18118	9.4
373.09619	1.9
384.87677	1.4
401.18140	1.9
416.19836	2.3
460.11734	1.9
460.21942	42.3
461.21225	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	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01713	1.3
61.98842	0.7
68.15778	0.4
70.27884	1.5
71.01385	6.3
85.02976	1.3
86.10304	0.4
87.00851	0.5
89.02443	10.3
95.33947	0.4
97.23581	0.4
101.02434	5.0
113.02460	3.7
116.41179	0.4
119.03515	4.7
122.93683	0.5
143.03514	0.5
161.04553	1.7
179.05640	1.7
189.07936	0.5
262.26050	0.5
399.23831	1.5
459.24490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2906
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
69.87054	1.1
91.89452	0.2
101.29646	0.2
107.05033	30.6
108.05360	1.2
147.08189	0.6
163.11290	100.0
164.11623	5.1
238.10046	0.5
241.82204	0.2
257.41180	0.2
258.69006	0.2
261.63510	0.2
265.12442	0.3
280.14758	0.4
283.17047	26.8
284.17371	2.3
295.17026	15.5
296.17346	2.0
395.44156	0.2
459.29047	70.3
460.29382	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.5
56.82671	0.2
57.03437	0.5
58.00587	0.3
59.01379	100.0
60.01712	1.2
61.98829	11.6
63.99261	0.4
69.03461	0.3
69.32925	1.4
71.01382	7.7
72.99303	0.3
73.02942	2.3
83.01396	1.3
83.53777	0.2
85.02946	3.2
87.00868	0.2
87.04540	0.8
89.02444	3.6
95.01409	0.7
97.02933	0.2
98.19923	0.4
99.00898	0.6
101.02444	5.8
101.03107	0.4
101.06083	2.3
111.00880	0.3
113.02439	3.8
113.03151	0.3
119.03503	1.1
125.02466	0.5
125.09481	0.2
129.40076	0.2
132.31860	0.2
143.03493	0.8
161.04529	2.8
171.10358	0.3
179.05641	0.7
255.19751	1.0
280.44028	0.2
283.19321	0.3
297.20776	1.0
327.21780	1.6
381.22870	0.3
399.23825	3.8
400.24414	0.4
417.24884	5.2
418.25604	0.7
440.85553	0.2
457.40060	0.2
459.25851	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2601
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
55.01873	1.1
57.03448	0.9
58.00592	0.4
59.01378	100.0
60.01716	0.9
61.98830	7.0
63.99269	0.3
69.03458	0.4
69.29466	1.7
69.29885	0.7
71.01381	13.3
72.01702	0.3
72.99323	0.4
73.02944	5.0
74.52129	0.3
77.82616	0.3
83.01388	2.3
85.02954	4.9
86.32384	0.2
87.00881	1.0
87.04525	1.1
88.40545	0.3
89.02437	3.5
95.01379	1.3
97.02951	0.9
99.00867	1.7
101.02441	10.0
106.21176	0.3
106.72012	0.3
111.00883	1.2
113.02445	6.1
114.01704	0.2
119.03494	1.5
125.02438	1.0
132.65169	0.2
143.03517	0.8
152.27374	0.2
159.03029	0.7
161.04547	4.3
169.12442	0.5
179.05568	0.6
185.15480	0.3
239.16731	0.3
255.19704	1.0
266.36942	0.2
297.20807	0.4
329.19839	1.1
344.09485	0.3
381.22855	0.8
399.23859	11.9
400.24081	1.5
417.24918	10.7
418.25409	1.2
468.06244	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01699	1.0
60.60420	0.4
61.42085	0.4
61.98844	0.6
69.44411	1.0
69.44810	1.9
71.01381	3.8
72.99284	0.4
73.02954	1.6
85.02954	1.1
89.02448	1.5
95.01415	0.4
99.00922	0.5
101.02444	2.7
112.31744	0.4
113.02435	1.9
119.03474	0.8
134.03711	0.6
137.02454	0.5
161.04587	1.5
177.09151	0.6
186.73462	0.4
191.05728	0.6
193.05080	1.0
195.10284	0.5
283.25220	0.5
300.13376	0.5
301.13541	0.4
339.14438	1.4
357.15350	2.8
360.27802	0.5
399.16473	4.2
399.20267	0.4
400.16962	0.6
459.18243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40522	0.4
55.24752	0.4
57.03455	0.6
59.01378	100.0
60.01704	1.1
61.98835	2.0
69.36179	2.5
71.01382	3.1
72.01744	0.5
72.99345	0.4
73.02958	1.4
79.95728	0.7
83.01405	0.5
85.02967	1.1
87.00865	0.4
89.02460	1.1
93.03508	0.3
96.96037	0.5
98.20699	0.7
99.00887	0.8
99.04535	0.6
101.02460	1.6
105.15668	0.3
112.78018	0.4
113.02451	1.4
115.92071	3.6
161.04585	1.7
165.09207	1.2
168.04501	0.3
173.04613	0.4
191.05635	0.4
235.13493	0.4
279.16156	0.7
357.15762	1.4
390.55411	0.4
399.16806	1.1
417.25085	0.6
444.39856	0.4
459.18079	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12892	1.6
56.96260	1.2
57.03449	44.6
58.94448	1.4
59.01379	100.0
60.01696	1.7
61.27565	2.1
67.01958	1.5
69.83543	6.8
71.01378	9.2
73.02938	4.2
79.95738	2.5
83.01373	3.9
83.05000	1.6
85.02943	5.1
89.02428	5.4
96.95997	3.9
98.20535	2.7
98.95580	2.0
99.00878	1.7
101.02422	6.7
102.98560	1.9
103.93137	1.3
107.04980	2.1
111.04468	1.4
111.23598	1.6
113.02435	2.8
117.65667	1.4
118.98100	3.8
119.03478	4.5
120.99670	1.6
121.06581	2.2
123.08161	70.4
124.08461	3.4
135.04507	10.9
135.08188	10.1
145.06126	1.7
149.04648	1.4
149.06053	2.4
151.04001	4.1
161.04604	1.9
161.06084	1.5
166.06383	1.9
174.11255	1.4
177.09120	3.3
179.05673	2.3
181.08701	2.1
191.05629	2.2
193.12300	10.9
201.09196	1.8
203.07120	2.3
219.10265	64.6
220.10550	4.0
237.11317	80.5
238.11588	5.4
284.03293	2.3
325.12848	4.5
328.17514	2.9
343.13943	2.5
399.16507	2.8
406.11896	1.6
459.10175	1.4
459.18307	4.5
459.24173	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	459.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
56.17867	0.3
57.03474	0.9
59.01379	100.0
60.01706	1.2
65.07048	0.3
71.01386	5.3
71.01777	0.4
72.99312	1.5
73.02948	2.3
77.53903	0.3
79.62574	0.4
83.01411	1.4
85.02951	3.4
87.00887	0.7
89.02468	1.6
95.01384	0.7
95.25451	0.4
96.96006	2.2
98.95598	0.5
99.00890	0.5
101.02437	3.9
102.98655	0.5
108.10425	0.4
109.02892	0.3
111.00871	0.4
113.02470	2.8
121.02975	0.7
122.03754	0.5
135.04558	0.4
139.96460	0.4
148.05359	0.8
151.04025	0.5
161.04599	1.2
166.06343	5.1
167.07005	0.4
181.08713	7.4
199.23706	0.3
208.07347	2.3
223.09747	2.7
274.90775	0.3
284.44003	0.3
297.17288	0.5
325.12906	13.8
326.13406	1.1
343.13965	9.5
344.14359	0.9
368.14441	0.4
399.16733	1.3
417.17841	2.0
459.18912	0.9
461.10678	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00006	0.3
55.01881	0.7
57.03452	0.4
59.01378	100.0
60.01720	1.4
62.50691	0.3
71.01382	5.7
71.51999	0.5
72.99313	2.6
73.02953	2.2
79.95757	0.4
81.39376	0.3
83.01418	0.8
85.02952	3.7
86.31551	0.3
87.00877	0.3
89.02454	1.6
95.01371	0.4
96.96012	1.7
98.95573	0.6
99.00887	0.9
101.02440	4.6
113.02445	2.4
117.05656	0.3
118.52879	0.3
121.02982	1.0
122.03772	0.7
122.70370	0.3
128.03545	0.4
135.04570	0.5
148.05319	0.5
151.04030	1.0
153.78790	0.4
161.04555	0.7
166.06302	5.3
166.07498	0.4
167.07092	0.5
181.08716	6.7
181.33530	0.3
182.09053	0.7
191.05667	0.4
193.05173	0.5
195.03064	0.9
208.07385	2.0
223.09747	2.2
265.10464	0.3
295.11740	0.4
297.17114	0.8
325.12878	12.5
326.13281	1.2
343.13971	8.9
344.14441	0.6
399.16702	1.0
417.17648	1.5
483.15897	0.3
483.42194	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12257	0.2
57.03439	1.1
59.01377	4.8
60.01665	0.2
62.68361	0.3
64.16228	0.3
69.03449	0.5
69.26578	2.5
70.90217	0.2
71.01371	0.5
71.13885	0.2
73.02944	0.3
75.64183	0.2
79.95739	1.0
80.96513	100.0
81.96444	0.3
85.02948	0.3
86.70609	0.2
94.41663	0.2
97.02946	0.7
97.86917	0.2
99.04514	29.8
99.40520	0.3
100.04829	0.7
101.02436	0.6
105.07089	0.5
119.00743	0.3
123.04482	0.5
133.06570	0.8
145.06566	1.2
147.22768	0.3
149.06084	0.3
159.08122	0.5
161.09706	2.2
163.07639	0.3
173.09718	0.4
185.09676	1.1
187.07805	0.3
188.08244	0.3
203.10744	6.3
204.11066	0.5
205.08647	0.3
215.10762	0.8
218.83037	0.3
229.93082	0.3
234.78656	0.3
247.09712	8.0
248.10046	0.9
259.09610	0.6
277.10840	2.5
278.11368	0.2
327.21722	0.5
329.07062	0.3
344.09088	0.3
347.14572	0.4
459.13229	51.1
460.13586	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	459.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.3
67.05105	1.0
69.92171	2.2
69.92564	2.5
71.01389	5.5
73.02948	40.4
73.03363	2.2
79.56049	1.0
79.77854	1.1
85.02958	2.6
87.00861	1.0
89.02454	2.9
89.23399	1.0
92.95985	1.6
94.73655	1.1
99.00873	5.0
99.67013	0.9
101.02477	1.4
111.07554	0.9
113.02435	1.9
115.00371	5.2
116.92895	2.2
117.01942	100.0
118.02259	1.4
118.05133	1.2
119.04999	1.0
121.94976	0.9
140.18187	1.2
148.98651	1.7
151.06110	1.8
151.07254	0.9
156.99986	1.1
174.96521	1.4
175.02545	1.1
220.77641	1.0
264.18582	1.1
459.13589	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	459.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13801	1.3
55.26165	1.1
58.27136	1.1
59.01376	4.7
71.01390	5.0
71.12585	1.9
71.12931	1.6
72.28511	1.2
73.02944	47.2
79.88014	1.2
85.02950	3.4
87.00884	2.7
89.02431	3.8
99.00862	6.3
111.00873	1.8
113.02488	1.7
114.40621	1.1
115.00397	2.9
117.01941	100.0
118.02241	1.7
118.05144	1.9
149.04532	1.4
154.97455	2.6
179.05621	1.9
191.01918	1.5
191.05565	3.2
224.51273	1.4
341.10898	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	458.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01073	1.5
59.01380	36.3
61.98830	100.0
69.59596	2.9
69.60005	5.7
71.01386	3.4
78.91893	1.5
85.02944	2.5
88.39099	1.3
89.02423	2.0
96.96035	3.0
99.00867	1.6
101.02446	2.9
115.38714	1.3
117.89692	1.3
149.71843	1.3
191.05637	4.1
193.08952	1.3
223.13435	7.7
224.13684	2.4
239.68953	1.3
251.37024	1.6
253.09332	1.7
399.23959	2.1
412.35068	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96476	0.4
52.06209	0.4
57.03452	0.4
59.01380	33.9
60.01708	2.3
61.98831	100.0
62.98556	0.5
63.99253	2.6
63.99539	0.4
71.01388	3.4
71.52253	0.7
72.09594	0.3
73.02940	1.1
80.91699	0.5
80.96495	0.4
83.01406	0.3
85.02945	1.9
87.00885	0.6
89.02466	1.2
93.03479	0.6
96.96035	1.0
101.02448	2.5
113.02474	1.3
119.03491	0.4
121.02991	1.1
135.04573	0.4
161.04605	2.2
162.04895	0.5
173.04483	0.6
179.05661	0.4
191.05559	2.3
192.05940	0.6
327.21835	0.9
398.22739	1.6
399.23862	3.0
458.00290	0.4
458.25162	1.4
459.26099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46764	0.3
59.01371	0.4
61.98830	100.0
70.13728	1.0
70.14132	0.6
98.20658	0.3
312.24554	0.3
373.24033	0.3
471.17468	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.4
57.14355	0.4
59.01377	33.4
60.01696	0.4
61.98827	100.0
69.68945	1.1
69.69377	0.9
71.01374	2.9
73.02937	0.8
78.91900	0.9
79.95722	0.4
80.91682	2.3
83.01416	0.5
85.02953	1.5
87.00864	0.3
87.04503	0.7
89.02461	1.3
90.98602	0.4
95.01457	0.4
98.20672	0.4
99.00886	0.3
99.04568	0.4
101.02401	1.8
113.02439	2.1
113.31621	0.3
119.03514	0.5
136.87021	0.3
140.10857	0.5
140.85750	0.3
161.04570	1.0
178.10217	0.3
191.05650	0.6
217.35442	0.3
327.21924	0.4
344.09207	0.4
354.52527	0.4
367.10806	0.3
399.23868	2.1
417.25107	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04430	0.5
56.86515	0.6
57.12908	0.6
59.01370	2.0
61.98829	51.3
62.98519	0.8
71.01379	1.8
77.20747	0.5
80.13660	0.7
85.02891	1.0
87.00864	0.7
88.41999	0.8
89.02425	1.8
98.20677	1.4
141.90125	0.6
153.13210	0.6
179.05620	1.8
277.21738	18.8
278.22052	1.9
304.03030	0.7
394.30463	2.8
399.25293	1.6
399.42538	0.6
409.33820	0.7
415.27310	0.8
427.04001	0.6
456.35669	11.9
457.35944	100.0
458.36557	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	458.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	23.3
61.98827	4.6
71.01367	2.6
71.51636	1.5
71.52039	2.3
74.02467	1.7
80.96465	1.6
88.12453	1.3
90.64851	1.2
96.96008	4.0
100.84791	1.5
119.05029	27.0
120.05353	20.9
126.16055	1.5
134.03696	1.7
135.04517	1.8
146.66573	1.4
148.05312	23.2
149.06021	2.8
162.03262	1.5
163.03998	15.1
164.04335	8.7
164.05472	1.3
176.24829	1.4
190.05099	8.1
191.05571	1.7
204.06795	1.6
220.06146	23.4
221.06892	35.1
222.07321	3.1
236.09273	100.0
237.09578	6.9
297.13660	1.5
337.26343	1.5
458.13763	27.6
459.14127	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	457.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29473	0.1
60.50598	0.1
61.98830	0.3
70.01132	0.4
70.72188	0.1
90.20467	0.1
98.20577	0.1
99.92583	5.6
100.92673	0.3
100.93360	5.8
101.93403	0.3
111.96683	0.1
113.92586	0.2
115.92075	100.0
116.92084	5.3
116.92865	5.9
117.92554	0.3
130.94412	0.1
132.92354	1.0
142.94411	0.2
153.43704	0.1
155.95291	0.2
172.95456	5.3
173.95581	0.3
239.94377	0.1
283.26263	0.6
283.51358	0.1
308.41043	0.1
345.71408	0.1
363.60471	0.1
383.18826	0.7
399.18311	0.1
409.20441	0.7
410.20740	0.2
430.07724	0.1
439.21503	0.2
457.16000	0.2
457.22549	3.8
458.22894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28355	0.6
55.01876	1.6
56.30452	0.6
56.39881	0.7
57.03459	0.9
59.01379	100.0
60.01694	1.4
61.98829	34.5
69.03450	1.1
71.01384	17.4
71.52614	1.0
72.01701	0.7
72.99313	1.2
73.02946	12.1
74.51894	0.8
78.91895	1.0
79.95736	1.0
83.01405	3.4
83.05003	1.2
85.02954	6.4
87.00895	1.5
89.02446	7.8
93.03444	0.8
95.01440	0.9
96.96037	3.2
99.00861	0.9
99.04547	1.8
101.02441	14.3
101.55521	0.7
110.86003	0.9
113.02444	7.1
115.92126	1.0
117.59151	0.8
119.03526	3.1
143.03583	2.1
145.91046	0.7
149.04605	1.0
161.04547	6.3
161.05724	0.8
173.04642	1.2
179.05637	1.7
179.14432	1.0
191.05579	3.4
203.05577	1.0
235.17088	1.7
253.18077	19.8
253.20636	1.1
254.18520	1.6
295.19260	2.1
309.03635	0.7
325.20313	1.0
350.06232	0.8
397.22241	6.3
415.23288	12.6
416.23816	1.2
457.24307	5.1
482.74164	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.5
59.01379	61.6
61.39805	2.1
69.44189	13.8
71.01390	10.7
72.06693	2.0
79.95739	8.1
80.26739	1.9
80.96522	4.8
81.95316	3.5
82.96094	2.7
84.77662	1.9
84.89555	2.1
85.02943	6.0
87.00885	2.2
89.02453	8.9
95.95207	6.1
96.96008	96.5
97.94803	6.5
97.95975	2.7
98.95593	100.0
98.96421	17.7
101.02445	7.5
110.88782	2.4
113.02467	3.4
118.98144	2.4
119.03534	3.5
124.97152	2.5
135.04530	5.1
146.03716	28.4
147.04094	7.7
148.05341	3.4
150.03210	2.4
161.06104	5.0
162.06497	2.6
163.03955	5.9
164.04817	15.4
165.05125	5.3
166.06372	5.3
173.04497	2.5
179.07121	21.7
180.04260	6.4
180.07515	3.8
189.09233	17.8
191.05663	3.0
201.09200	2.9
216.07852	4.9
217.08684	49.6
218.09082	2.7
275.02258	4.0
277.02145	6.9
299.82739	2.5
379.14056	10.9
397.14996	54.7
398.15268	6.9
414.23306	3.5
457.10580	60.5
458.10376	5.2
458.26453	2.4
481.19159	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	457.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11231	1.0
59.01377	2.3
61.98828	74.0
62.98544	1.2
64.70885	1.0
69.17482	6.1
69.17912	4.2
81.47172	0.9
99.04534	1.3
129.05580	1.1
264.76453	1.1
299.19989	2.2
394.30350	2.2
399.17490	1.4
399.25372	56.7
400.25665	6.5
457.21252	100.0
458.21600	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	457.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.9
60.54492	0.4
69.54626	2.4
71.01381	1.5
73.02940	0.9
89.02448	0.8
90.54472	0.4
93.05886	0.3
94.02091	0.3
96.96005	2.0
98.20599	0.7
98.95609	1.6
99.00886	1.7
101.02458	0.7
108.87552	0.4
110.45890	0.4
119.05025	100.0
120.05350	4.1
133.06523	0.6
138.47559	0.4
145.02875	0.5
161.04695	0.5
161.06075	0.8
163.04004	51.2
164.04297	2.5
166.02788	0.5
181.05003	0.5
189.61848	0.4
205.05014	1.1
270.00867	0.4
325.09381	0.7
419.63882	0.4
430.72729	0.4
440.21436	0.4
455.77246	0.4
457.13510	54.2
458.13846	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23825	0.4
56.30256	0.5
57.03450	0.9
59.01380	100.0
60.01714	1.3
66.72835	0.5
69.63560	1.0
69.63969	2.2
71.01385	4.8
73.02952	1.6
78.16515	0.5
79.95737	6.4
80.96533	0.5
81.95318	6.9
81.96148	1.3
85.02966	2.1
89.02441	1.1
95.95236	3.2
96.96012	26.9
97.94817	4.1
98.95599	31.1
98.96432	4.4
101.02440	1.5
103.92896	0.5
108.02183	2.1
110.97620	1.0
112.97198	1.5
113.02455	2.0
122.97496	0.9
123.04537	2.0
125.02528	0.6
126.28786	0.5
136.01662	2.0
137.02412	2.0
146.03754	13.4
147.04178	1.1
149.32114	0.6
150.03261	0.7
151.04028	2.5
151.99548	1.0
152.04372	0.5
161.04602	2.2
161.06105	4.1
164.04817	8.5
165.05234	1.2
179.00171	0.9
179.07149	19.9
180.07500	2.5
195.24913	0.6
196.32486	0.6
217.87869	0.5
253.10976	0.6
275.02573	1.0
277.02008	1.5
333.04739	1.1
369.81009	0.5
439.09415	0.6
457.10287	35.6
458.10397	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	457.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17852	0.4
51.57072	0.3
55.01896	0.4
57.03454	0.5
59.01376	3.7
64.08594	0.3
69.58852	2.6
76.57005	0.4
79.95732	0.8
80.96517	100.0
81.96494	0.5
96.96010	0.7
99.04520	20.6
100.04868	0.6
143.05011	1.1
145.06636	0.5
156.05800	0.8
159.08162	1.3
171.08115	2.1
177.05513	0.6
178.37943	0.4
183.08113	0.7
185.09793	0.5
187.07591	0.5
195.08168	0.5
198.06903	0.6
201.09204	3.3
202.09430	0.4
203.07135	0.5
213.09198	4.5
215.07162	0.8
231.10234	3.8
241.39713	0.5
245.08182	4.9
246.08449	0.6
257.08197	2.4
275.09332	3.1
400.15277	0.4
439.10809	0.5
457.11719	45.4
458.12006	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	457.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82742	0.4
59.01382	1.3
62.86977	0.5
67.02399	0.4
69.43733	3.6
71.01383	32.5
75.05011	0.5
83.82040	0.4
89.02461	2.2
94.92741	0.5
98.19864	0.9
101.02464	0.6
109.13992	0.5
110.59878	0.5
113.02389	0.5
115.00378	100.0
116.00718	2.3
119.03593	0.5
123.49311	0.5
152.95987	0.5
179.05577	1.2
244.75523	0.5
341.10919	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	456.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92377	0.6
61.98828	100.0
70.63049	1.2
81.03479	0.8
92.41970	0.5
253.19318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
70.49265	0.5
98.19867	1.1
104.72837	0.6
116.92891	0.9
139.32175	0.7
289.38266	0.6
305.09387	0.6
336.60776	0.6
375.95441	0.6
393.30286	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
69.42666	2.5
69.43085	0.9
69.94962	0.4
79.95740	10.1
80.96514	3.0
94.98096	0.8
95.95238	10.1
96.96012	100.0
98.95623	0.5
101.11353	0.5
102.85941	0.4
110.97551	0.8
121.02951	5.2
122.97556	4.9
150.03242	1.9
162.03224	1.2
163.04007	0.7
165.05579	0.8
166.06349	21.8
167.06721	1.3
177.05606	1.2
181.08717	4.5
187.31578	0.5
195.06596	0.4
258.02054	1.1
275.02332	13.2
276.02692	0.7
457.11731	44.0
458.12091	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	456.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
59.01379	71.1
60.01714	1.4
61.98830	100.0
70.58586	0.6
71.01386	4.7
71.05022	4.1
71.52879	0.7
73.02962	2.1
76.05972	0.6
78.91898	2.0
79.95760	0.8
83.05028	1.2
85.02977	2.5
87.00864	0.9
89.00233	0.7
89.02468	1.6
93.03475	1.8
95.05097	0.8
96.96011	6.5
97.06563	1.0
99.00934	0.9
99.04522	1.2
99.92604	1.7
101.02464	2.6
103.04073	0.7
110.06117	2.5
111.08199	1.0
113.02406	1.5
113.09743	0.8
113.55603	0.7
114.09227	1.6
115.07651	11.9
115.08405	0.8
120.99662	5.4
121.02976	0.9
121.99998	0.6
122.06180	2.0
122.99275	1.0
135.04590	0.7
137.09767	1.2
139.07629	0.9
139.11409	0.7
140.10843	1.0
149.04626	0.7
155.10785	30.4
156.11159	1.4
157.08762	2.0
161.04605	1.4
167.14418	1.3
169.12337	8.1
191.05618	6.1
193.06651	0.9
194.00427	0.9
195.01163	1.9
196.01599	2.0
199.09686	3.1
200.90601	0.6
204.17616	0.7
209.02782	1.0
209.15503	0.9
210.03439	2.0
211.03993	1.6
211.13399	10.5
229.14589	1.2
233.15245	0.9
234.18724	0.7
236.16644	1.4
241.00055	0.7
271.15509	44.8
272.15771	3.4
278.17484	0.8
280.19852	1.1
296.18689	10.5
308.10590	0.8
324.19119	2.8
325.20218	1.3
326.11713	1.4
369.12433	2.6
375.14630	2.3
377.14520	1.0
397.22525	0.8
412.27228	0.9
415.23331	1.5
421.14355	0.7
426.25079	1.2
456.26572	3.7
456.98856	1.3
457.17654	5.0
457.23837	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	456.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96770	0.8
52.59438	0.9
59.01373	2.0
60.63258	1.1
61.98828	100.0
74.94670	0.9
100.85936	0.8
182.71837	1.0
185.23404	1.1
218.17352	1.0
237.41444	0.9
277.21664	3.4
281.37933	0.9
292.85452	1.2
293.67047	0.9
379.23807	1.0
393.30145	4.7
399.25342	1.7
413.25208	1.0
456.35733	15.7
457.21176	4.3
457.36075	1.5
466.21719	0.9
468.90933	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98528	0.3
69.92645	1.6
70.15633	0.4
98.19960	0.4
115.66139	0.4
116.08730	0.3
143.43990	0.3
157.61377	0.4
299.20215	0.6
306.37204	0.4
349.31180	1.1
392.60101	0.4
393.30099	4.7
399.25381	9.5
457.21240	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	456.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90742	0.3
53.46478	0.2
53.55315	0.3
57.03440	0.9
61.98829	100.0
69.59551	1.7
81.03457	3.6
99.08157	0.4
112.89056	0.3
125.02400	1.6
210.41800	0.3
258.14328	0.3
393.30112	8.2
394.30386	1.2
413.30914	0.4
456.51581	0.3
457.29779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93038	0.3
53.42228	0.4
57.03471	0.3
58.00604	0.4
59.01379	41.0
61.98830	100.0
69.03452	0.6
69.20852	3.5
71.01385	7.2
71.05064	0.4
72.99297	0.6
73.02942	5.2
83.01393	1.7
83.05032	0.7
85.02953	2.0
87.86924	0.3
89.02455	3.2
93.03472	0.5
95.01387	0.5
96.96017	1.0
97.06589	0.4
100.90682	0.4
101.02451	5.9
113.02449	2.4
119.03507	1.3
143.03491	0.6
161.04543	2.5
175.34113	0.4
179.05623	0.7
179.14633	0.4
191.05634	1.0
199.09810	0.8
223.13480	0.6
223.16974	0.4
231.08817	0.4
234.15854	0.5
235.17046	0.4
253.18117	7.8
271.15570	2.2
274.99503	0.4
295.19223	0.5
303.87970	0.4
306.63120	0.4
307.19122	0.4
396.21652	0.4
397.22430	2.7
415.23312	4.7
456.22839	0.6
457.24396	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.6
61.91326	0.2
61.98829	100.0
67.15585	0.2
71.01403	0.3
71.07085	0.7
85.02967	0.2
89.02442	0.3
93.03461	0.3
99.04453	0.3
101.02456	0.2
102.98599	0.6
169.68971	0.3
191.05659	0.4
433.30106	0.3
433.36026	0.3
456.29922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3529
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
61.98825	3.3
98.20684	0.5
356.49564	0.3
393.30042	0.4
455.35275	100.0
456.35596	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	456.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.0
61.98829	100.0
69.40011	2.6
80.96509	0.5
129.80385	0.3
154.76686	0.3
187.87244	0.3
197.79678	0.3
233.84483	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57019	0.4
53.69990	0.4
59.01378	27.9
61.98828	100.0
69.49595	2.4
71.01385	2.1
73.02953	0.9
80.96519	1.3
85.02985	0.9
87.00860	0.4
89.02442	0.8
90.98597	1.1
101.02480	1.0
113.02453	1.6
126.29663	0.5
131.25874	0.3
151.30690	0.4
163.04088	0.4
191.05615	1.1
193.08676	1.0
240.97450	0.5
245.08177	0.5
267.07166	0.6
292.77890	0.5
397.22299	1.1
415.23431	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	456.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.2
57.44906	0.2
59.01377	6.5
60.59404	0.2
61.98829	100.0
71.01385	0.7
73.02963	0.4
79.22752	0.2
80.80260	0.2
83.85609	0.2
85.02988	0.3
89.02464	0.3
96.96042	0.2
97.06590	0.3
98.20702	0.4
101.02456	0.4
104.51916	0.2
113.02461	0.4
121.93979	0.2
140.10822	1.1
158.11914	0.3
161.04614	0.6
191.05675	0.3
201.23232	0.2
210.03531	0.2
211.13632	0.3
242.31508	0.2
271.15631	0.5
406.99597	0.2
456.25143	0.3
456.30112	0.6
457.24112	0.2
481.40356	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	63.0
60.01722	0.9
61.49224	0.9
61.98825	7.2
71.01382	12.4
73.02940	7.1
75.00918	1.1
80.53701	0.9
81.03463	0.9
83.01385	2.7
85.02975	4.9
85.03416	0.8
87.00880	1.4
89.02454	4.2
93.03450	0.9
96.96015	6.8
99.00883	1.2
99.04510	2.1
101.02430	6.2
104.04919	1.0
113.02439	8.0
119.03463	1.4
122.03740	58.7
124.05270	1.0
134.03752	4.0
135.04526	2.6
148.05324	2.0
149.06081	26.9
150.06795	1.8
151.07625	3.3
153.09204	1.4
161.04533	2.0
163.07651	2.8
178.09961	2.0
179.10753	3.7
191.05592	2.7
233.15375	3.4
236.14177	4.9
237.14879	1.2
249.14915	4.1
250.15729	34.5
251.16510	100.0
252.16827	7.4
265.14499	1.1
395.20758	5.0
396.21307	1.0
413.21805	3.7
455.23123	3.5
469.77914	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11188	0.4
55.01882	2.1
57.03450	3.3
58.00594	1.1
59.01380	61.2
60.01733	0.8
61.57946	0.5
61.98829	16.2
68.99811	0.9
69.03444	1.1
69.67663	0.7
69.67981	2.9
71.01382	29.6
72.99296	3.0
73.02940	10.2
75.00873	7.4
75.01258	0.8
78.41283	0.5
78.91912	0.7
79.30742	0.5
81.01719	0.5
81.03483	0.8
83.01388	5.3
85.02945	12.1
86.00101	2.9
87.00876	5.7
87.04512	9.9
89.02443	11.4
91.14322	0.4
95.01371	2.8
96.96013	1.1
97.02941	2.5
99.00875	3.0
99.04531	1.6
101.02446	16.6
101.03109	0.9
101.06061	2.4
102.02758	0.5
111.00891	2.0
112.01715	0.8
113.02444	10.2
119.03493	3.7
124.01678	2.6
125.02460	6.1
133.06601	1.2
135.04654	0.5
135.08165	18.3
136.08521	0.8
136.73511	0.4
141.01915	0.7
143.03484	7.5
147.08139	3.4
159.08168	0.5
161.04520	0.8
163.11275	7.7
175.11288	2.1
191.10751	7.1
191.12372	0.6
205.12277	2.9
207.13847	1.1
209.02834	0.7
215.14331	0.9
215.90352	0.4
217.16040	1.6
233.15434	12.9
234.15848	1.1
235.13380	10.1
236.13774	0.7
249.15038	4.1
251.16508	100.0
252.16866	8.0
275.16620	1.1
291.16043	0.5
293.17676	1.3
321.17062	10.8
322.17535	0.8
323.18265	0.5
365.49951	0.5
377.19672	2.4
395.20724	73.6
396.21066	9.6
413.21790	82.8
414.22122	10.5
455.22842	19.0
456.23129	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	454.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03409	0.5
59.01382	6.1
61.98829	100.0
78.32456	0.5
96.95988	0.8
99.04551	0.5
121.02960	0.8
149.06097	0.6
158.03783	0.6
169.01320	0.6
179.97031	1.1
194.99342	1.8
200.04793	0.7
201.09270	2.2
207.10350	0.6
208.37241	0.5
209.11961	0.6
217.08772	0.6
225.03964	0.6
229.08649	3.9
244.19044	0.5
252.08109	0.7
255.06628	1.0
301.72006	0.5
335.01990	0.6
353.03101	0.8
364.05945	2.3
364.64743	0.6
372.08340	1.0
379.08362	0.6
392.05600	1.1
395.06287	0.7
397.09299	0.7
407.07657	6.5
422.10202	1.3
425.08948	1.4
437.12741	1.6
439.20636	0.8
440.11115	1.6
454.23318	0.6
455.13400	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	455.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08297	1.0
59.01379	26.9
61.98828	5.0
62.38369	1.0
69.56127	6.4
71.01376	5.2
80.00369	1.0
83.10654	1.0
85.02934	1.3
86.51197	1.0
89.02454	5.1
96.96021	2.3
101.02433	4.4
104.34422	1.2
113.02416	2.4
119.03486	2.0
132.02179	3.1
147.04524	3.0
161.02431	1.1
165.68423	1.1
171.10254	2.4
177.99062	3.3
193.01459	6.0
201.01822	1.2
209.11719	2.9
216.04250	1.8
229.01311	1.1
241.01320	1.5
244.03636	2.2
257.00839	3.6
269.01028	1.8
275.20123	2.6
284.03061	1.3
285.00482	6.8
293.21228	3.2
299.02023	1.3
300.02768	7.8
310.01117	1.2
312.02740	3.4
312.99869	9.0
313.03345	1.8
315.05161	2.1
325.03320	4.1
327.05026	2.6
327.98636	1.9
328.02264	25.5
328.05890	2.5
329.02597	2.2
343.04578	66.4
343.08231	2.8
344.04956	8.9
358.06924	33.7
359.07220	3.6
365.06445	2.0
373.09271	100.0
374.09576	12.0
382.02844	1.5
383.07474	1.5
427.06207	2.0
430.15475	1.1
455.13333	1.8
455.20981	1.3
455.26584	16.8
456.27017	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14622	0.3
65.84457	0.2
68.87263	0.2
70.05521	0.9
79.95740	5.8
80.96517	1.8
88.89091	0.3
94.96774	0.3
94.98098	0.5
95.95239	4.9
96.96009	100.0
97.95965	0.4
98.20470	0.3
110.97598	0.5
122.97577	3.5
135.04509	1.0
145.02966	0.9
146.03734	19.8
147.04172	0.5
150.03212	1.7
161.06070	4.4
162.03264	1.2
163.04019	1.3
164.04784	12.3
165.05434	1.3
177.05540	0.6
179.07129	11.8
180.07504	0.6
184.22173	0.3
186.33778	0.2
195.06606	0.6
257.20773	0.3
258.01968	0.7
275.02286	8.3
275.05099	0.5
276.02695	0.7
455.10159	28.8
456.10446	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88324	0.3
59.01379	2.7
62.07000	0.3
66.13364	0.3
69.44173	1.2
69.44583	0.8
71.01345	0.3
79.95737	7.4
80.96525	2.0
94.98078	0.7
95.95239	5.5
96.96012	100.0
97.95950	0.5
99.21354	0.3
102.31563	0.3
110.97585	0.3
120.56339	0.3
122.97573	4.0
135.04547	0.8
145.02931	0.6
146.03732	19.7
147.04318	0.9
149.02361	0.3
150.03194	1.7
161.02472	0.3
161.06075	5.0
162.03186	1.4
163.03989	0.9
164.04797	11.9
165.05539	1.4
177.05556	0.8
179.07135	10.5
180.07526	0.7
195.06665	0.7
220.84914	0.3
236.55342	0.2
245.01131	0.4
258.02057	0.7
275.02319	9.4
282.41144	0.3
320.86227	0.4
455.10165	30.0
456.10486	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	453.3219
Annotation	Nuttingin D
Peak:m/z	Relative Intensity
57.03447	24.3
58.03782	0.4
59.01381	0.5
63.02398	0.9
65.03947	0.4
67.01885	1.5
69.29907	1.7
69.30321	0.5
71.01378	0.5
72.25793	0.2
81.03455	43.1
82.03798	0.9
83.01383	3.9
83.05026	7.4
83.84575	0.2
97.30300	0.2
98.19836	0.5
99.04518	4.3
107.01388	1.0
107.05025	1.1
111.00920	0.4
121.14008	0.2
125.02444	100.0
125.06036	2.7
126.02789	3.5
151.04004	1.1
151.65599	0.2
153.12738	0.2
283.26392	1.6
309.28006	1.1
343.04242	0.3
391.32233	0.7
435.31201	0.7
448.07800	0.3
453.32190	30.8
454.32434	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	454.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13710	0.6
59.01344	1.1
61.98811	1.2
75.59906	0.6
95.15791	0.7
98.20668	1.7
120.33045	0.6
121.95519	0.6
140.62318	0.5
174.79066	0.6
297.23294	1.6
341.22318	95.0
342.22635	14.7
356.26028	3.0
383.27042	2.0
400.24805	2.8
409.25494	0.6
427.25992	100.0
428.26291	15.4
454.27185	21.4
455.27850	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	453.213
Annotation	Lemmonin D
Peak:m/z	Relative Intensity
57.03452	12.0
59.01377	77.0
61.98823	3.0
70.71140	3.3
71.01378	4.5
73.02941	3.2
75.00875	3.6
85.03001	1.8
89.02440	2.4
90.98593	25.0
99.04514	4.4
101.02452	3.5
113.02402	1.4
120.99657	1.6
127.05082	1.8
128.03539	1.8
145.06075	1.7
185.54710	1.4
189.12857	2.5
193.85246	1.6
205.16046	3.7
210.49841	1.4
231.13858	12.6
232.14127	1.6
249.14938	100.0
250.15167	8.2
277.17548	1.4
307.27826	1.4
453.20697	1.9
453.26505	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	453.213
Annotation	[3aR-[3aalpha,5(S*),7aalpha]]-5-[4-[(6-O-acetyl-beta-D-glucopyranosyl)oxy]-1-methylbutyl]-3a,4,7,7a-tetrahydro-6-methyl-3-methylene-2(3H)-benzofuranone
Peak:m/z	Relative Intensity
59.01380	100.0
59.05818	1.4
60.67862	1.4
61.98819	2.8
67.44024	1.5
71.01383	3.3
73.02953	2.8
76.13039	1.9
85.02954	2.5
89.02453	1.9
90.98614	9.2
99.04520	15.3
101.02441	3.3
123.04489	1.5
131.52319	1.5
193.94960	1.8
249.14870	2.6
284.92197	1.4
393.18942	2.0
411.20273	3.9
453.21262	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2127
Annotation	Hypoloside A
Peak:m/z	Relative Intensity
52.63700	0.5
59.01380	9.7
62.30505	0.5
69.41396	2.8
69.41808	1.1
71.01385	1.8
80.96504	0.5
83.62434	0.5
85.02939	1.8
96.96018	2.9
97.02945	0.7
100.12558	0.5
101.02426	0.5
101.27435	0.5
107.04974	0.6
113.02431	0.6
122.03733	9.2
133.02852	0.7
134.03755	6.9
135.04533	12.8
136.05290	1.1
145.05046	2.4
148.05292	7.1
149.06073	46.6
150.06874	16.5
151.07481	1.7
161.04543	0.8
162.06863	3.1
163.07632	5.2
164.04749	1.3
176.08360	0.5
177.09198	0.6
191.10695	1.1
204.11443	0.6
216.11507	3.0
219.13843	3.3
230.13074	0.7
231.13896	7.8
232.14244	1.1
234.12578	2.0
247.13481	1.5
248.14160	70.4
249.14931	100.0
250.15269	9.0
275.16510	2.8
291.15994	0.7
336.08591	0.5
364.30130	0.5
393.19104	5.0
394.19983	0.7
453.09033	0.9
453.20990	0.6
467.69299	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.3
59.25285	0.7
62.41183	0.6
63.79707	0.7
69.35377	1.3
69.35789	5.4
71.01370	1.3
76.36025	0.7
85.02939	1.5
85.06618	0.7
98.19913	1.0
99.04526	0.7
109.02937	1.1
121.06595	1.8
122.03738	15.9
123.04086	1.1
133.06616	0.9
134.03738	18.2
135.04495	2.6
136.05278	1.9
148.05298	6.0
149.06078	100.0
150.06427	4.7
151.07635	2.0
161.06090	4.8
161.09679	0.8
162.06831	2.7
163.07607	2.1
164.04791	2.3
164.08368	0.8
173.09668	2.2
175.07593	4.0
176.08420	48.1
177.08998	4.3
179.10765	1.9
189.09207	38.2
190.09792	5.3
191.10768	44.2
192.11115	4.7
205.08669	1.9
231.13959	1.3
233.11794	1.6
234.12599	1.2
248.14168	76.2
249.14920	82.4
250.15295	8.6
263.12872	1.7
291.16061	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2127
Annotation	Hypoloside A
Peak:m/z	Relative Intensity
51.84600	0.6
55.01868	1.4
57.03439	1.9
58.00602	0.7
59.01379	58.5
69.03461	1.3
71.01384	25.7
72.99322	1.0
73.02946	20.2
77.27374	0.6
83.01391	6.3
85.02944	10.2
85.06585	4.9
89.02442	7.4
95.01379	3.1
96.96017	3.0
97.02937	1.3
98.20691	1.3
99.00861	1.5
99.04536	3.4
101.02441	20.3
104.05383	0.6
107.05037	0.8
113.02450	16.8
114.02795	1.0
115.66396	0.6
118.38155	0.6
119.03490	2.4
119.38939	0.7
121.06616	0.9
122.03739	79.0
123.04085	2.4
131.03481	1.7
134.03748	2.3
135.03551	0.9
135.04515	5.7
136.05290	5.9
137.06058	1.8
143.03510	1.4
145.05080	1.9
148.05266	2.1
149.04572	1.7
149.06073	11.1
150.06873	11.8
151.07646	28.1
152.07994	1.6
153.42062	0.6
161.04564	6.5
163.07628	4.0
165.05568	4.1
177.09251	1.5
200.64137	0.7
231.13829	2.4
232.14870	0.8
235.13354	2.2
242.92046	0.7
247.13455	1.8
248.14159	23.5
249.14954	100.0
250.15286	8.4
275.16522	3.8
280.61078	0.7
351.71942	0.7
393.19171	14.1
394.19427	1.5
411.20285	5.8
412.20651	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56504	1.3
50.77032	1.3
52.95142	1.3
57.03443	2.6
59.01377	69.2
64.50233	1.3
69.57175	8.7
71.01386	7.4
73.02947	6.6
79.95758	1.4
83.05037	2.1
83.56467	1.3
85.02940	2.7
95.01358	1.6
95.05006	1.6
96.96026	3.8
97.02934	2.1
98.19875	1.8
99.04514	100.0
100.04838	2.7
101.02451	7.2
109.06583	6.3
113.02451	3.1
123.04449	1.6
139.04048	2.9
139.65050	1.5
149.06073	5.5
161.06042	3.0
167.07208	1.5
177.09120	1.6
219.10260	17.4
222.85899	1.7
231.06587	4.7
231.13910	4.0
249.14877	4.0
261.07645	4.1
263.09293	7.0
318.66971	1.4
363.14310	3.1
393.18988	2.9
411.20483	1.8
453.13907	15.5
453.21515	4.4
454.14041	1.7
456.23221	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29285	19.7
59.01371	87.3
61.31142	14.7
61.98847	17.2
66.49697	17.8
69.55301	23.8
69.55707	100.0
71.01404	19.1
73.02970	14.7
75.00858	45.5
76.17437	14.2
87.85728	15.3
89.02491	16.7
90.98592	31.8
96.96014	29.2
98.20573	27.1
99.04534	24.3
101.02459	24.4
120.99656	31.3
121.60805	14.9
149.06213	14.9
153.45259	16.4
180.09573	13.7
209.86684	15.4
249.14937	23.1
257.77985	16.6
312.85901	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	453.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76974	4.1
59.01382	37.7
69.74117	9.8
69.74532	18.0
71.01362	8.3
73.02966	7.8
97.02899	3.8
98.53262	4.2
99.04516	100.0
101.02417	8.0
113.92603	4.4
138.65042	5.0
149.06068	15.3
159.50243	3.9
248.14151	4.6
249.14897	15.8
263.09262	11.9
336.15668	4.5
359.54324	4.2
383.55307	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	453.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.0
58.99606	12.1
59.01379	60.8
61.98830	4.7
71.01379	1.1
71.53373	1.3
74.52515	0.8
74.99099	1.3
78.95926	0.8
90.98593	98.4
91.98949	1.2
96.95988	1.4
99.04527	6.7
101.39442	0.8
101.40083	0.9
102.98597	100.0
109.02943	1.7
120.99656	8.6
122.03722	1.8
149.06061	3.5
155.10747	1.3
157.08690	0.9
163.00700	6.8
171.10262	2.0
175.07695	1.0
189.09192	0.9
211.29214	0.8
231.13620	1.1
249.14899	1.2
310.07886	1.1
397.20114	1.6
438.20337	2.4
453.23163	3.0
454.24255	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06175	5.3
55.53307	5.3
59.01379	77.0
61.98820	17.8
63.78062	5.1
68.37022	4.8
71.01376	14.8
71.52157	4.8
71.52552	6.1
72.99330	5.8
73.02950	7.5
75.00875	21.8
77.22225	5.8
85.02935	8.4
88.22578	4.4
90.98557	8.0
95.33697	5.6
96.95986	8.4
99.04517	13.8
101.02438	10.7
110.78225	5.4
114.13031	4.5
120.99660	100.0
125.98679	4.7
191.05608	6.5
248.28296	6.7
279.10587	5.4
453.20090	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	453.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70745	0.3
59.01379	0.5
61.98828	0.4
69.58819	1.5
78.06752	0.3
79.95734	2.3
80.96519	0.6
83.55387	0.3
87.03627	0.3
94.98077	0.6
95.95228	1.0
96.96011	34.6
106.04259	0.5
120.02203	0.4
122.97563	1.2
123.26023	0.4
134.03735	3.0
145.03069	0.3
150.03223	0.7
161.02435	1.5
162.03221	100.0
163.03571	5.0
166.62706	0.3
177.05560	87.8
178.05910	6.1
183.40973	0.3
190.55208	0.3
202.03423	0.3
275.02304	3.7
279.27551	0.4
311.09448	0.4
377.33536	0.3
453.08557	12.1
454.08737	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	453.086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.0
60.25372	0.2
67.30483	0.2
69.79784	1.0
69.80128	0.3
71.01374	0.3
73.02976	0.2
78.95897	0.8
79.95725	1.7
80.96516	0.3
84.57788	0.2
85.02961	0.3
95.95239	0.3
96.96010	100.0
97.02908	0.3
97.95919	0.2
98.19915	0.4
107.87267	0.2
108.02152	0.4
109.02940	0.6
110.97581	0.3
123.00864	0.8
123.04514	0.2
124.01642	0.4
134.03735	0.3
135.04541	0.3
143.07466	0.2
147.04517	0.9
148.05289	0.3
149.06056	0.9
151.46364	0.2
152.99579	1.2
162.03242	0.8
163.03986	1.3
163.11259	0.2
164.04800	0.3
165.05591	0.4
174.03198	0.3
175.04045	0.3
177.05577	0.7
178.02692	0.2
179.03496	0.2
181.12364	0.6
188.04816	0.5
189.05460	0.2
207.10236	1.3
225.11331	2.5
231.13911	0.2
245.01282	0.3
248.14166	1.2
249.14958	1.7
298.08447	1.2
310.08304	0.4
313.10782	4.7
313.14154	0.4
314.11273	0.5
343.11893	0.5
358.10510	0.8
365.09091	0.5
373.12897	4.5
374.13303	0.2
393.12280	1.0
453.08554	9.8
453.14642	6.6
454.08896	1.1
454.14905	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96358	0.2
58.85365	0.2
64.91659	0.2
69.94878	0.5
69.95289	0.5
78.95902	18.2
101.19891	0.2
122.00114	0.8
132.14299	0.2
140.01192	5.0
152.99557	1.3
166.02660	0.2
196.03798	9.5
205.03279	0.2
214.04858	2.2
255.23285	100.0
256.23645	8.3
256.26382	0.5
363.06409	0.2
452.27820	22.6
453.28210	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	452.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17735	1.5
51.41055	1.3
55.29955	1.4
57.03442	3.3
59.01375	1.7
61.98823	3.7
67.36501	1.2
69.03458	8.2
69.28293	6.5
69.28722	4.5
71.01381	5.3
81.03461	2.5
83.01385	2.0
95.01381	16.4
96.96031	3.0
102.31344	1.2
104.55402	1.2
109.43246	1.2
112.98566	3.0
121.47986	1.3
125.02448	2.5
134.03868	1.3
149.06046	1.7
155.10617	1.3
201.06006	1.2
241.01855	1.4
251.23766	9.7
265.21722	3.8
291.26688	3.0
293.24875	31.1
303.27054	4.2
304.27280	1.7
305.24918	1.8
317.21307	3.5
329.24973	5.7
335.25967	19.3
336.25922	2.4
347.25873	69.6
348.26279	9.3
359.20078	2.2
379.24887	50.8
380.25229	5.2
391.24844	100.0
392.25220	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	451.3425
Annotation	5alpha-Cyprinol
Peak:m/z	Relative Intensity
52.17372	1.2
57.03450	20.9
61.93265	1.1
62.78833	1.2
71.52441	2.0
78.95906	11.9
81.03459	59.0
83.01373	7.6
120.96942	3.0
125.02442	44.8
126.02807	2.0
138.98058	2.8
152.99574	4.0
154.62755	1.1
195.00633	7.3
208.59293	1.2
255.23288	72.9
256.23682	5.2
281.66733	1.3
393.30246	4.0
451.24966	22.0
451.34265	100.0
452.25000	2.6
452.34674	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	452.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.7
61.98830	100.0
71.01385	0.8
85.02971	1.1
85.06608	1.8
87.00926	0.6
89.02441	0.9
93.03484	0.8
93.11892	0.5
96.96004	4.5
98.20663	1.1
101.02463	0.9
119.03539	0.6
122.03732	3.7
123.04131	1.7
125.09732	1.6
126.10072	1.2
135.04445	0.6
149.06131	1.6
150.06461	1.1
151.07628	0.7
152.08041	0.9
162.03255	1.7
162.06813	1.9
163.07280	1.0
177.05577	2.4
179.03476	0.7
180.04033	0.6
187.09767	1.8
188.10104	1.7
191.05637	1.6
193.06041	0.8
195.06174	0.7
234.03505	0.7
247.13333	3.9
248.13730	5.7
320.14407	0.8
389.63818	0.5
392.22186	0.7
452.08875	0.6
452.16632	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.4
65.00323	1.1
67.01875	0.4
68.22094	0.3
68.99802	0.3
69.38937	0.3
72.60832	0.3
78.95896	5.8
81.03448	2.5
82.03788	0.4
83.01415	0.7
85.02966	0.7
98.20760	0.7
107.05054	0.3
109.02946	0.4
120.71372	0.3
123.08126	0.4
125.02442	7.0
125.06091	0.4
126.02789	1.5
140.01160	1.8
144.99452	0.3
152.99553	0.4
153.01917	0.7
196.03799	1.0
214.04872	2.5
255.23280	100.0
256.23621	8.3
324.29956	0.7
325.27603	0.7
326.27713	2.2
452.27756	5.4
452.30716	2.4
453.28311	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.33
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	0.2
59.01108	0.1
59.01381	1.6
59.03118	0.1
60.01707	0.1
61.01799	0.1
61.88972	0.1
61.98831	0.2
68.69458	0.1
69.44242	0.1
70.02992	0.1
71.01381	0.3
71.52167	0.1
79.95743	0.2
80.05051	0.4
81.03455	10.0
82.03779	0.3
82.06623	0.2
83.05024	26.7
84.05344	0.8
85.02931	0.2
89.02444	0.2
93.03458	0.2
96.04584	0.1
96.96011	0.4
99.04549	0.1
100.07684	0.4
101.02422	0.2
107.06126	0.8
108.04550	1.2
111.04550	0.1
113.02438	0.2
122.03777	0.2
122.06133	0.2
125.07201	3.1
126.05581	0.6
136.07675	0.8
137.06047	0.1
138.05626	0.8
143.08272	1.7
149.04573	0.4
149.06071	0.2
151.07571	0.2
157.13420	0.1
174.04907	0.2
175.05002	0.1
191.05585	0.8
192.05907	0.5
193.06056	0.5
207.15007	3.3
208.13474	0.2
209.11981	0.2
224.17673	4.6
225.16078	12.3
225.17688	0.5
226.16437	0.8
242.18727	1.8
247.13347	0.5
250.04340	0.1
250.15573	0.4
257.13016	0.5
266.18762	0.1
268.16748	0.2
269.13864	0.3
270.14279	0.2
271.14511	0.5
290.22360	0.3
291.20682	0.1
292.20502	0.1
301.11945	0.2
306.22076	0.3
307.24094	0.2
309.21835	0.5
324.26505	1.5
325.26651	0.2
333.22946	3.9
334.23169	0.4
339.27631	0.2
341.29141	0.1
351.24011	1.1
367.27139	1.5
368.27426	0.3
385.28122	0.2
406.30548	0.2
407.30835	0.1
426.26398	0.1
433.31790	5.8
434.32263	0.7
451.32870	100.0
452.33185	15.3
452.39908	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77026	0.6
52.16132	0.5
53.38153	0.6
57.03447	20.0
61.98825	1.0
62.21635	0.5
63.02389	2.0
63.17393	0.5
65.00321	6.5
65.03957	3.6
67.01893	3.4
68.99810	2.4
75.94859	0.5
81.03455	54.2
81.62032	0.5
82.03783	1.1
83.01388	15.2
83.05028	12.1
85.02950	19.9
89.68301	0.5
97.06607	0.6
107.01396	2.3
107.05044	4.8
109.02939	6.0
125.02445	100.0
125.06053	2.7
126.02782	3.2
138.06613	0.5
149.06087	1.5
151.04010	3.0
153.01939	10.9
167.07172	0.7
193.05006	1.1
211.06097	18.6
212.06444	1.1
229.33676	0.7
255.23242	0.8
299.65344	0.5
301.21750	5.0
302.22168	1.1
303.22543	1.2
305.28427	1.5
307.26547	1.4
325.27499	6.3
326.27917	0.7
347.29529	1.4
389.30685	3.5
433.29575	7.6
434.29861	1.5
451.24667	0.9
451.30524	6.8
452.31198	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	15.8
58.03781	0.5
59.01382	0.4
65.00323	6.5
67.01871	0.3
69.49474	2.1
70.92772	0.2
78.95901	1.0
79.04589	0.3
79.05560	0.8
81.03459	12.6
81.26432	0.3
82.03793	0.5
83.01385	10.3
85.02969	0.5
90.04955	0.3
98.19910	0.6
99.04499	0.4
107.01361	0.3
123.04524	7.5
123.08141	0.3
125.02445	100.0
126.02778	3.2
167.03494	6.9
255.23294	14.5
263.86807	0.3
307.26376	0.3
323.29514	1.8
325.27426	1.4
349.27649	0.5
359.91333	0.3
365.30600	2.8
367.28589	0.8
389.30368	0.6
390.98132	0.3
407.31689	4.0
408.31744	0.4
419.38614	0.3
433.29529	1.0
451.30637	25.6
452.31540	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	451.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98828	60.0
70.64286	10.0
70.64674	3.5
71.01385	20.5
71.14741	3.6
73.02940	7.9
83.26201	4.0
85.02946	10.3
89.02428	24.1
89.88881	3.0
93.30468	3.2
96.96011	5.1
99.92547	4.9
101.02424	15.7
113.02426	10.0
116.92873	19.5
119.03465	5.0
149.49292	3.2
191.05580	8.8
209.17636	3.7
217.44032	3.5
220.61545	3.4
271.15591	4.8
288.06689	8.5
289.20038	5.0
342.46426	4.3
377.56558	3.5
391.19565	4.2
451.12799	10.6
451.21530	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	451.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05643	0.6
57.03450	15.5
61.98833	0.8
70.99079	1.2
81.03460	57.6
82.03786	1.2
83.01402	2.2
115.86119	0.6
125.02451	100.0
126.02768	3.5
146.21896	0.7
192.86516	0.6
211.88646	0.6
254.45094	0.7
255.23303	0.7
305.28452	8.2
306.28735	0.7
313.48956	0.6
325.27481	21.5
326.27985	3.2
331.26495	1.1
347.29492	2.2
349.27362	0.9
365.30560	4.8
366.31177	0.9
371.29654	1.2
389.30688	7.9
390.31259	1.3
407.31879	5.7
408.32361	1.0
433.23602	0.9
433.29535	18.4
434.29968	2.6
451.30695	13.5
452.31094	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	450.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38446	0.8
59.01380	15.3
60.01727	1.2
61.98830	100.0
63.94118	0.8
70.80032	1.6
71.01371	1.8
72.94847	0.9
81.96671	0.8
82.19326	0.7
85.02943	1.9
86.36478	0.7
87.00858	1.3
93.03471	3.2
94.03769	1.4
94.61990	0.9
96.14308	0.7
101.02477	1.2
108.30586	0.8
119.73914	0.8
126.46130	0.8
142.48219	0.8
147.67810	0.8
150.48914	0.9
153.21957	0.8
159.91388	0.8
173.04530	1.9
187.07611	1.0
191.05621	13.4
192.05980	5.8
258.08554	1.3
276.09518	1.9
450.20477	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	450.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06262	0.6
59.01379	7.2
60.01717	0.6
61.98830	100.0
62.05298	0.6
62.59998	0.6
69.31900	4.0
69.32298	1.1
69.69025	0.6
71.01368	0.8
73.43796	0.5
78.83253	0.5
89.02460	1.0
98.20660	1.1
136.32211	0.6
189.29883	0.5
193.30830	0.5
211.33611	0.5
216.31023	0.5
288.25745	0.6
346.15546	0.7
358.49078	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	23.9
60.92826	0.8
61.01837	0.9
61.98830	100.0
65.07267	0.9
67.73877	0.9
69.75196	4.9
71.01385	2.8
73.02924	1.5
75.65045	0.9
80.76283	0.8
84.15686	0.8
85.02946	2.6
87.00894	1.9
89.02436	2.5
93.03458	3.1
101.02464	1.8
113.02420	1.6
125.99632	0.8
127.21043	0.9
137.74327	0.9
138.71588	1.0
161.04544	1.5
173.04535	1.7
174.04837	1.3
178.94989	1.1
187.07596	1.3
188.07986	1.3
191.05623	15.4
192.05948	8.7
258.08545	2.6
275.09204	1.3
276.09546	3.5
349.18527	1.3
390.21405	1.6
450.14722	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25848	0.7
53.74224	0.8
53.90708	0.8
55.01848	0.7
59.01376	12.4
60.01725	1.0
61.98829	100.0
67.01901	1.4
68.52970	0.7
69.97114	3.5
71.01385	2.1
73.02935	0.8
73.40318	0.7
85.02947	1.7
93.03461	5.0
94.03811	1.3
173.04558	2.5
174.04918	0.9
182.25960	0.7
187.07823	1.0
188.08023	1.3
191.05612	18.2
192.05931	8.0
194.29573	0.7
258.08566	1.4
275.09125	0.8
276.09744	1.6
282.37680	0.8
390.21524	1.1
450.14774	0.9
450.20508	1.0
465.92270	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.4
59.33914	0.5
60.01698	0.6
61.98830	100.0
69.58971	1.1
69.59389	2.1
71.01379	1.6
73.63718	0.5
89.02469	1.4
91.18113	0.5
101.02481	1.0
128.14641	0.6
159.29865	0.5
385.34225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1405
Annotation	Nigrumin-5-ferulate
Peak:m/z	Relative Intensity
57.03455	1.0
59.01377	22.6
60.01715	0.8
61.98832	6.7
64.89378	0.7
68.99826	1.8
69.46197	6.1
70.02978	1.4
71.01382	6.6
72.99313	1.6
73.02937	1.2
82.02980	1.3
83.00134	3.1
83.01358	1.1
84.00890	1.4
84.04534	1.2
85.02935	1.5
86.02483	1.1
87.00887	1.2
89.02433	6.8
95.05023	1.0
96.04568	4.1
96.95995	6.0
99.00870	7.6
101.02465	4.5
108.04540	1.6
109.06608	1.0
112.00391	1.8
112.04028	2.0
112.81699	0.8
113.01157	1.1
113.02445	1.8
114.01975	12.0
119.03483	2.8
122.02464	1.1
123.04532	3.2
124.00399	11.1
126.01953	1.1
135.04538	0.9
140.03537	57.4
141.03918	1.1
145.06549	1.8
152.03558	1.3
160.07555	1.0
161.04597	1.2
162.05626	1.2
165.05515	1.8
172.07541	1.0
174.04074	4.6
177.01939	3.3
179.05574	3.3
184.02512	1.3
186.09248	1.7
189.05638	0.9
191.05640	3.6
192.00566	3.0
193.00964	2.2
194.01266	1.0
194.04625	2.5
196.07622	1.1
200.05630	26.8
200.07147	1.3
201.05995	1.0
206.04546	2.2
207.02951	2.9
208.03339	3.8
214.08728	3.5
220.26428	0.9
230.08287	1.9
254.06609	1.3
258.07645	4.6
288.08820	2.2
302.06686	2.6
315.07309	1.0
316.11899	1.2
318.09940	1.2
332.07642	2.5
360.11041	3.7
362.08826	2.3
363.09470	2.0
370.08554	2.3
372.10803	1.8
390.11853	2.1
391.19586	1.0
392.09903	1.7
393.10287	1.6
420.12924	12.4
421.13174	1.3
432.12955	10.6
433.13330	1.6
450.14044	100.0
451.14304	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	449.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54839	0.4
55.85819	0.4
58.15546	0.4
58.21663	0.4
59.01373	1.5
59.76785	0.5
60.38475	0.4
61.98824	1.2
67.01897	0.6
69.37442	3.8
71.01390	1.1
80.57520	0.5
93.03467	2.4
99.00886	0.8
111.04478	0.7
111.30166	0.5
114.99403	0.5
129.01947	0.9
135.04530	1.0
147.02983	5.8
160.01646	0.7
173.04555	2.0
191.05574	2.6
281.24863	6.2
282.25250	0.8
301.21725	100.0
302.22092	11.5
349.31314	0.6
449.32697	1.9
472.26129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45527	0.8
59.01371	4.4
61.98829	14.7
67.01904	1.0
71.01387	2.2
78.95890	4.7
85.02963	1.0
87.00895	1.7
87.18502	0.9
93.03439	5.3
96.96022	1.1
99.00890	1.4
110.98541	1.7
125.85155	0.9
129.01929	1.0
147.02992	9.6
160.01663	1.2
161.04585	0.9
167.01115	2.5
173.04533	3.6
191.05591	6.4
281.24835	22.6
282.25198	3.8
301.21707	100.0
302.21979	10.7
312.44431	0.9
449.17746	4.2
449.26553	3.9
450.27731	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72320	1.7
59.01382	15.8
60.99342	2.6
61.98831	3.7
67.01875	3.0
69.03459	2.7
78.95897	9.5
87.00866	4.0
93.01389	1.7
93.03456	63.2
101.06078	38.4
111.04507	3.5
132.05690	1.9
133.02902	1.7
137.02441	20.4
152.99513	4.2
173.04572	12.4
191.05539	8.3
196.03799	2.9
253.21693	29.1
257.08066	2.3
275.09247	3.2
303.19644	45.6
304.19913	6.9
317.21182	100.0
318.21552	11.8
347.18542	14.8
387.32697	20.5
388.33109	2.9
431.16403	6.6
431.31708	22.8
432.32120	2.9
439.86636	2.0
449.14294	5.9
449.25610	4.2
449.32700	7.2
450.26422	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	449.239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87639	0.5
59.01379	100.0
60.01718	1.3
61.98830	10.5
69.34584	3.3
70.24945	0.4
71.01376	3.8
73.02972	0.9
74.87875	0.5
84.34454	0.5
85.02956	1.5
85.18381	0.4
89.02483	0.7
92.68562	0.5
99.02990	0.6
101.02431	2.8
113.02489	1.7
159.03053	0.5
161.04547	3.6
183.55011	0.5
191.05788	0.7
275.09363	0.7
389.21695	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	449.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11431	0.4
59.01377	100.0
60.01715	1.1
61.31961	0.5
61.98835	1.7
71.01384	8.2
71.05038	0.9
73.02951	2.5
73.16178	0.5
83.01414	1.0
85.02945	4.0
87.00871	0.5
89.02446	3.9
93.03452	1.6
93.31255	0.5
95.01416	0.6
99.00907	0.7
101.02449	5.8
109.92673	0.6
113.02446	4.2
119.03526	1.1
127.03971	0.5
139.07616	0.9
143.03545	0.6
153.09241	0.8
155.10774	3.3
159.03009	1.1
159.04414	0.6
161.04552	8.9
173.04550	0.9
179.05637	1.1
187.07652	1.5
191.05606	8.3
213.09270	0.6
219.69298	0.5
227.16521	7.7
257.08279	1.1
269.13974	0.5
275.09311	2.1
303.65897	0.5
308.75433	0.6
389.21744	9.1
390.22232	0.7
405.46857	0.6
434.22595	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58418	0.3
56.67864	0.4
56.99358	0.4
57.03452	0.7
59.01380	29.4
60.01710	0.4
60.99294	1.1
61.98816	1.8
67.01890	3.3
69.03452	0.8
70.84232	0.8
71.01010	0.7
71.01382	9.1
71.18728	0.4
72.99306	0.6
73.02948	1.7
81.03445	1.1
83.01389	1.1
83.05017	0.9
85.02950	10.1
87.00877	6.1
89.02442	7.0
93.03458	22.3
94.03793	0.8
95.01350	1.1
96.95986	0.4
97.02962	0.4
98.20029	0.5
99.00882	1.0
99.04496	0.7
101.02450	5.8
109.02982	1.0
111.00924	0.5
111.04523	3.4
113.02444	3.8
119.03500	3.2
125.02453	0.5
127.04010	1.6
129.01936	0.9
131.03461	0.4
134.03746	0.5
137.02428	0.5
143.03520	1.4
153.02094	0.4
155.03445	0.5
158.03745	1.2
159.04497	1.8
161.04573	3.8
172.05331	0.7
173.04549	12.8
173.05989	1.2
174.04988	0.6
174.06790	0.8
179.05605	1.4
183.04556	1.3
187.04068	0.9
187.07649	9.7
188.08014	0.9
191.05612	100.0
192.05923	3.9
199.65605	0.4
200.04836	0.9
201.05586	0.7
202.06328	1.5
203.10770	1.0
213.05540	0.7
213.09201	3.8
215.07101	1.5
216.07556	0.6
227.16507	1.1
229.08601	0.6
231.06670	0.7
231.10316	3.6
257.08188	12.5
258.08450	0.9
269.13913	1.2
275.09256	8.4
276.09528	0.8
389.21826	21.1
390.22083	2.1
449.14413	4.1
449.20340	1.7
450.14969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04893	0.3
59.01377	3.7
61.98821	0.8
64.06544	0.3
67.01882	0.6
69.03463	0.4
71.01388	0.8
71.53600	0.4
76.79077	0.3
78.95903	76.0
80.07110	0.3
85.02952	0.4
87.00865	1.0
93.03461	4.4
96.96969	5.7
111.04510	0.8
116.92862	1.1
117.01952	0.4
134.03679	0.6
135.04514	0.9
150.98001	1.4
152.99588	100.0
153.99921	1.9
154.99998	0.3
156.89693	0.3
171.00638	2.6
173.04547	3.0
186.25415	0.3
191.05652	1.9
195.13876	0.4
219.58043	0.4
266.27017	0.3
275.09097	0.4
288.26727	0.3
295.22763	0.9
317.21198	7.6
318.21439	1.0
400.54184	0.3
405.11316	0.3
449.13861	1.1
449.23013	19.8
450.23215	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55349	0.4
59.01378	100.0
60.01705	1.0
61.92063	0.4
61.98828	15.5
69.62777	1.5
69.63187	0.7
71.01389	5.1
73.02963	1.4
75.89411	0.5
85.02968	1.2
89.02461	1.5
99.00929	0.5
100.17284	0.4
101.02439	3.4
113.02454	2.1
125.02485	1.0
128.07614	0.4
159.04530	0.4
161.04535	4.4
187.07661	1.1
191.05614	1.2
203.10747	0.5
259.06213	0.5
275.09268	3.8
313.60526	0.4
389.21777	4.0
390.22318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.7
58.00612	1.6
59.01380	87.6
60.01699	1.6
60.99303	2.2
67.01897	2.1
67.99384	1.2
69.49257	3.9
69.49669	5.7
71.01382	20.6
74.83896	1.5
76.70878	1.4
85.02956	8.1
87.00856	2.7
89.02442	21.9
93.03448	8.7
96.96028	3.6
99.04523	8.2
101.02449	10.1
111.48367	1.3
113.02495	7.3
119.03467	7.9
125.08701	1.6
125.89742	1.3
126.15206	1.3
126.67493	1.3
128.09836	1.3
159.12657	1.5
165.12849	3.3
173.04645	8.0
173.05962	2.3
179.05507	2.1
187.07635	2.3
191.05612	47.7
192.05978	2.3
207.13942	10.9
209.11841	28.5
210.12161	2.2
213.09131	1.6
225.14995	12.3
226.15271	1.7
231.10234	2.7
251.12877	6.0
257.08109	4.3
269.13931	100.0
270.14243	9.1
275.09183	4.4
287.15054	2.7
449.14655	7.9
449.20239	75.3
450.20276	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	449.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56715	0.9
57.03441	3.3
58.94348	1.0
59.01380	96.5
59.36696	1.2
69.23225	4.5
69.23653	4.7
71.01380	20.2
76.64230	1.0
83.05060	1.1
85.02952	6.3
87.00859	1.7
89.02443	19.0
93.03477	5.2
93.31831	1.1
95.01403	2.2
98.20601	1.9
99.04518	9.6
101.02433	9.3
109.06565	1.2
113.02488	8.3
119.03507	6.2
131.25322	0.9
165.12849	5.1
169.88203	1.0
173.04543	4.8
187.07529	1.1
189.12886	1.5
191.05598	16.0
200.32716	1.1
207.13905	11.4
209.11829	29.2
210.12190	2.5
225.14952	14.5
251.12938	6.7
257.08209	2.1
265.53308	1.1
269.13934	100.0
270.14276	10.1
275.09192	2.1
287.14844	1.2
389.18146	1.1
449.20255	78.1
450.20612	11.0
473.68356	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00480	0.6
57.03441	1.4
59.01379	2.9
60.99302	6.0
67.01890	15.4
67.53933	0.5
69.03455	3.8
69.40527	4.5
69.40847	1.1
71.01380	4.9
81.03461	3.4
81.44662	0.6
83.05024	2.5
84.71351	0.6
85.02937	1.6
85.95895	0.8
87.00333	1.1
87.00872	19.5
93.03455	100.0
94.03785	2.9
99.00887	1.7
99.04476	1.8
105.03452	1.2
109.02926	1.4
110.30892	0.6
111.04523	15.5
112.04826	0.7
113.02461	1.8
125.02462	0.8
126.76952	0.6
129.01933	2.5
133.02937	4.9
134.03731	9.2
135.04544	8.3
136.05244	0.6
137.02467	1.9
151.03996	1.0
155.03496	4.4
160.01639	1.7
161.02336	1.2
162.03214	2.3
173.04541	74.7
174.04898	3.4
178.02487	0.6
179.03508	2.2
183.50800	0.6
191.05612	12.9
194.65009	0.7
231.10223	6.4
257.08292	1.1
275.09219	8.0
290.08051	0.7
302.78821	0.8
308.08942	1.6
351.07181	0.8
352.07993	1.4
449.14520	39.6
450.14792	5.5
451.35181	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.4
59.01383	3.9
60.99304	5.7
67.01889	14.0
67.17022	0.4
69.03465	3.3
69.38063	2.7
71.01381	5.2
73.02937	0.5
75.08356	0.5
81.03450	2.9
83.05013	1.7
85.02955	1.0
87.00873	20.3
93.03454	100.0
94.03786	2.9
99.00867	1.7
99.04508	1.7
104.98172	0.4
108.02145	0.6
109.02974	0.6
111.04514	14.3
112.04855	0.6
113.02450	1.9
115.04010	1.2
117.38740	0.5
118.08245	0.4
129.01950	2.8
133.02905	0.5
134.03734	11.6
135.04532	6.1
137.02438	0.8
143.03508	0.9
145.02946	0.6
151.03993	0.9
155.03470	3.4
161.02438	2.6
162.03226	9.2
166.33397	0.4
173.04536	67.8
174.04880	2.7
179.03474	1.2
180.04230	0.5
191.05602	4.1
204.28305	0.4
215.05539	0.5
226.43242	0.5
227.07039	0.9
275.09213	6.3
276.09387	1.1
307.08313	0.6
308.08905	3.4
326.83585	0.5
351.07419	2.1
352.07846	2.3
353.08069	0.6
449.14496	42.1
450.14789	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	448.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83892	2.5
59.01367	8.5
59.30044	2.5
61.01360	2.9
61.98829	100.0
78.95888	8.4
87.00895	3.5
91.24896	2.5
93.03445	4.4
110.98521	4.3
113.79678	3.0
153.09317	2.9
167.01135	4.2
280.23691	5.4
281.24838	53.9
301.21738	56.3
327.74689	3.5
392.54980	2.9
449.26523	7.7
460.68784	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	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37977	0.4
51.13277	0.4
59.01377	100.0
60.01704	1.1
61.98832	0.9
69.50967	1.4
69.51398	1.9
71.01380	6.4
73.02957	0.8
83.01414	0.5
85.02962	1.6
89.02441	6.3
98.20637	0.7
101.02435	4.1
113.02446	2.8
116.92819	0.4
119.03497	2.5
131.03529	0.5
143.03467	0.6
161.04544	3.9
179.05618	1.4
189.12932	1.9
207.13879	1.0
243.16092	0.8
284.35779	0.5
291.89706	0.4
387.20087	5.0
388.20712	0.6
447.22604	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21324	0.6
57.74007	0.7
59.01377	100.0
60.01710	1.3
69.29733	0.6
69.44265	5.5
71.01380	10.4
73.02941	1.8
75.61420	0.7
83.01377	1.0
85.02951	3.2
89.02435	10.7
89.65264	0.7
101.02436	8.7
113.02435	3.6
119.03492	3.6
125.38241	1.0
133.07263	0.7
143.03522	0.7
153.09262	1.1
161.04601	4.8
179.05627	2.1
225.14990	2.3
351.60785	0.6
387.20233	26.9
388.20679	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	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.9
57.03452	1.2
59.01380	100.0
60.01722	0.9
64.16728	0.5
69.77726	2.2
69.78133	1.1
71.01380	19.0
71.05041	1.1
72.99323	0.9
73.02943	4.7
83.01410	1.5
85.02948	6.9
87.00891	0.6
89.02444	8.6
95.01410	1.4
95.05042	0.5
97.02934	1.2
98.20633	1.0
99.00891	1.9
101.02442	10.8
113.02446	9.1
119.03508	3.0
125.02448	0.5
130.08186	0.5
131.03503	0.9
136.32387	0.5
138.06866	6.9
143.03529	1.2
153.09212	19.9
154.09604	0.7
159.03024	2.1
161.04547	17.3
179.05649	2.3
207.13979	1.9
225.14949	45.2
226.15324	3.0
269.20911	0.6
307.53275	0.6
324.87244	0.6
370.59366	0.5
387.20245	17.1
388.20770	1.1
447.22372	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	45.8
60.01721	0.9
61.98831	100.0
63.30556	0.4
68.74314	0.4
69.27129	1.4
69.27555	2.2
71.01382	4.1
72.99332	0.5
73.02951	1.9
83.01396	0.6
85.02970	1.5
87.00910	0.5
89.02447	3.1
93.03511	0.5
95.01390	0.4
101.02442	3.1
102.05608	3.1
113.02457	2.3
119.03535	1.6
125.02512	0.7
128.03545	2.2
143.03506	0.6
146.04604	8.3
161.04619	2.7
173.04579	0.6
179.05627	0.9
187.07719	1.1
191.05640	2.3
200.02292	0.6
202.06479	0.6
203.10927	0.7
205.42033	0.4
227.16507	0.8
231.10161	0.8
260.91324	0.4
275.09195	5.1
296.63635	0.4
329.16058	0.5
388.20905	0.7
389.22079	2.1
449.20413	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50823	0.4
59.01378	100.0
60.01716	1.0
70.24317	1.6
71.01376	5.9
73.02959	1.7
74.65134	0.5
75.79833	0.4
80.96503	1.0
83.01379	0.5
85.02959	1.5
89.02434	4.4
93.03463	0.6
99.00927	0.4
99.04507	0.5
101.02444	4.1
107.15446	0.5
113.02462	3.0
119.03461	2.9
139.07678	0.6
139.11259	0.6
143.03468	0.6
161.04550	3.9
179.05634	1.2
182.43675	0.5
183.10301	1.2
191.05663	1.8
225.11354	0.6
225.14874	0.5
243.12326	4.5
244.27982	0.5
285.03976	0.4
285.13510	2.0
315.18146	0.5
315.81552	0.5
332.84436	0.5
359.47632	0.5
387.20233	8.1
388.20743	0.6
447.13501	1.1
447.22342	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23094	0.6
54.84631	0.6
55.67742	0.8
58.00583	0.9
59.01379	100.0
60.01728	1.8
69.69963	3.5
71.01381	11.4
72.99311	0.9
73.02953	0.8
85.02953	2.5
87.00877	0.9
89.02445	15.7
95.01411	0.9
98.20633	1.4
101.02432	7.3
102.41556	0.6
105.11195	0.8
113.02455	4.9
119.03497	8.3
143.03535	1.7
160.74789	0.7
161.04553	3.5
179.05586	5.1
225.15067	0.9
361.68140	0.7
387.20227	8.9
387.24966	0.8
388.20624	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61399	0.3
51.44872	0.3
51.49492	0.3
57.03444	1.1
59.01376	35.3
60.01698	0.3
71.01381	2.7
71.05048	0.3
73.02941	3.7
81.03465	0.3
85.02942	0.9
89.02448	1.1
95.05026	0.5
96.95993	0.5
98.20671	0.8
99.04529	0.5
101.02448	2.0
113.02434	1.4
119.03486	0.7
137.09732	0.6
139.11284	18.8
140.11630	1.1
143.03554	0.3
151.11349	0.3
161.04543	1.0
163.11246	0.8
165.09212	1.0
179.05675	0.4
181.12329	9.4
182.12634	0.7
183.10249	20.6
184.10576	1.1
187.11238	0.5
191.05612	1.2
199.13393	6.2
199.15129	0.5
200.13795	0.3
225.11305	6.3
225.14728	0.4
226.11778	0.5
227.03555	1.4
243.12350	100.0
244.12672	6.4
249.11359	0.5
249.15065	0.4
255.03027	1.7
284.03284	0.9
285.04080	0.6
285.13412	3.5
286.13748	0.3
300.02917	0.4
305.90292	0.3
350.04382	0.3
387.20230	0.9
405.21326	0.5
431.81631	0.3
447.08572	1.4
447.18295	5.2
448.18848	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98131	0.4
55.01886	0.4
55.07008	0.4
57.00770	0.4
57.03437	1.7
59.01378	51.8
60.01737	0.5
61.11211	0.4
61.98830	0.9
62.43716	0.4
65.20823	0.3
71.01382	4.9
71.52717	0.5
73.02950	3.6
75.87072	0.4
83.01372	0.8
85.02957	1.9
89.02454	3.1
89.65993	0.4
96.96014	0.5
97.06619	0.5
99.04527	0.7
101.02437	4.0
107.01569	0.4
108.85514	0.4
110.99328	0.4
113.02467	3.1
119.03491	1.2
126.58267	0.5
128.39877	0.4
130.04077	0.4
137.09686	0.7
139.11299	18.4
140.11627	0.5
161.04536	1.7
163.11278	1.3
165.09213	0.6
179.05574	0.9
179.10558	0.6
181.12357	9.9
182.12672	0.4
183.10260	20.3
184.10608	0.8
187.11288	0.6
191.05614	2.9
193.61226	0.5
199.13400	5.5
200.13817	0.4
225.11313	7.3
225.14848	0.6
227.03496	2.7
243.12357	100.0
244.12695	8.0
249.11232	0.7
249.14764	0.5
249.48778	0.4
255.02979	3.2
267.12106	0.4
284.03232	2.3
285.03925	0.8
285.13461	3.8
387.20325	2.6
405.21420	0.7
429.21481	0.6
447.09103	3.0
447.18240	5.9
448.19281	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
63.59573	6.8
65.61877	5.6
69.39017	46.6
71.01376	18.0
73.02935	7.6
81.31346	5.3
85.02970	15.3
85.53836	5.0
89.02437	10.5
94.71797	5.1
98.20691	10.9
101.02433	15.0
103.58849	5.8
110.58237	4.9
111.85738	5.3
113.02481	6.4
133.39502	4.7
149.06107	13.1
176.08368	6.7
191.05620	23.3
191.10782	11.9
225.14883	6.1
248.14156	12.0
249.14935	16.1
255.06900	6.5
397.31430	5.5
411.20108	7.4
447.22357	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	447.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44798	3.0
52.36105	3.0
58.61539	3.5
59.01381	100.0
63.10394	3.3
69.41066	8.8
69.41470	16.3
71.01361	11.6
73.02931	9.0
85.02950	8.2
89.02453	7.4
101.02418	9.2
113.02425	6.6
116.92852	6.4
119.03452	5.8
127.17017	3.3
138.14845	3.3
139.07646	4.8
139.11276	9.1
145.73169	3.1
149.06050	7.0
155.10841	3.8
161.04584	6.7
162.26987	3.4
181.12314	12.0
183.10168	17.1
191.05649	9.7
199.13214	4.0
212.63864	3.4
225.11223	6.0
225.14879	4.5
227.03464	6.1
231.90714	3.1
232.26302	3.2
235.40619	3.9
243.12346	54.0
244.12584	5.2
248.14162	9.0
249.14983	17.1
255.02975	7.1
284.03183	4.9
375.45929	3.4
387.20212	7.8
405.21161	4.7
435.97342	3.5
447.09198	9.2
447.18198	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	447.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
62.96402	1.3
71.01386	0.2
71.01784	0.4
71.02109	0.4
78.95904	42.3
96.96964	2.5
120.47046	0.2
149.00095	20.9
150.00479	0.4
151.01620	0.3
152.99596	0.6
158.92537	2.0
179.01155	2.6
205.15889	1.8
240.96733	0.5
267.11411	0.5
333.20923	0.3
347.08194	0.4
399.60791	0.2
417.12296	0.8
431.10251	2.3
447.13403	100.0
448.13751	11.8
464.10022	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.9
62.96400	1.6
69.31152	2.1
78.95901	42.4
96.96961	2.6
98.19855	0.4
102.85153	0.2
111.00903	0.4
149.00090	20.5
150.00423	0.6
151.01698	0.3
152.99567	2.0
158.92508	1.5
170.23126	0.2
179.01164	2.4
205.15878	1.3
240.96855	0.4
267.11548	0.3
347.08258	0.5
353.47107	0.3
374.15070	0.3
387.20203	0.3
417.12564	0.8
431.10208	2.3
447.13400	100.0
448.13782	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	447.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75658	0.7
55.60406	0.9
59.01381	12.2
71.01386	3.1
71.49955	0.7
71.50372	1.0
72.99314	5.4
73.02961	1.5
75.00870	2.2
85.02969	1.8
87.00907	1.4
89.02431	2.3
92.39944	0.7
93.76397	0.7
96.95998	0.7
101.02473	1.8
103.00379	0.8
104.03535	5.9
105.01938	100.0
106.02278	1.9
108.02177	12.1
109.02979	8.7
113.02462	1.5
117.01937	1.3
118.35208	0.7
123.04538	0.8
125.65013	0.9
149.04582	1.8
149.44144	0.7
151.16071	0.7
151.99979	1.5
152.01166	19.2
153.01947	8.9
161.04568	1.0
162.57629	0.6
163.04027	1.6
191.05629	1.2
269.45029	0.7
283.15442	1.1
283.45291	0.9
284.15775	1.6
296.01672	0.7
296.83047	0.7
447.11423	25.9
448.11795	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	447.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75658	0.7
55.60406	0.9
59.01381	12.2
71.01386	3.1
71.49955	0.7
71.50372	1.0
72.99314	5.4
73.02961	1.5
75.00870	2.2
85.02969	1.8
87.00907	1.4
89.02431	2.3
92.39944	0.7
93.76397	0.7
96.95998	0.7
101.02473	1.8
103.00379	0.8
104.03535	5.9
105.01938	100.0
106.02278	1.9
108.02177	12.1
109.02979	8.7
113.02462	1.5
117.01937	1.3
118.35208	0.7
123.04538	0.8
125.65013	0.9
149.04582	1.8
149.44144	0.7
151.16071	0.7
151.99979	1.5
152.01166	19.2
153.01947	8.9
161.04568	1.0
162.57629	0.6
163.04027	1.6
191.05629	1.2
269.45029	0.7
283.15442	1.1
283.45291	0.9
284.15775	1.6
296.01672	0.7
296.83047	0.7
447.11423	25.9
448.11795	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	447.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.9
57.03435	1.3
57.65704	0.7
59.01378	27.0
61.98827	0.9
63.30022	0.7
69.03458	12.1
71.01380	4.9
71.52089	0.8
73.02951	1.2
79.01889	7.8
79.95705	0.8
81.03477	0.8
83.01390	1.3
85.02956	3.3
87.00894	1.4
89.02437	2.2
93.03458	30.5
94.03802	0.9
95.01400	2.4
96.96059	1.2
97.02956	5.8
97.06631	0.9
99.00827	0.7
99.04514	8.6
101.02443	4.6
101.06087	1.2
107.01380	13.5
108.02206	1.7
113.02440	2.1
114.08891	0.8
120.99665	1.1
121.02956	3.9
123.00900	2.6
125.02453	8.8
126.96390	0.8
135.00862	3.1
135.04526	1.0
137.02441	100.0
138.02782	3.4
151.00365	13.6
152.01141	2.4
161.04529	1.0
173.04510	0.9
181.06554	1.0
191.05597	4.5
199.07635	18.4
200.08092	1.2
203.10783	1.4
211.13513	1.2
217.15921	1.0
225.14928	1.2
242.05830	22.3
242.08253	1.4
243.06596	41.8
244.06908	3.1
247.09781	1.8
255.06549	0.9
271.23447	0.8
277.10950	0.8
285.20853	1.4
309.13553	0.8
335.22433	1.1
339.07211	1.3
375.21262	0.8
385.43201	0.9
387.10794	4.4
387.20309	1.6
447.12717	5.6
447.26059	29.0
448.26392	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	447.1295
Annotation	Siebolside A
Peak:m/z	Relative Intensity
53.08368	0.4
59.01377	4.1
60.45023	0.4
65.00319	1.0
68.99844	0.4
71.01379	0.7
71.22584	0.7
80.02680	0.6
91.01892	15.4
92.02210	0.5
93.03458	20.1
95.01396	1.5
99.04517	1.0
101.02486	0.5
107.05037	0.5
108.02168	19.8
109.02992	3.2
113.02482	0.4
121.02968	1.2
123.00883	5.3
123.04517	0.6
124.01624	0.7
135.00893	13.8
135.85693	0.4
136.01172	0.4
137.02443	45.2
138.02776	1.4
152.01146	16.8
163.08942	0.4
191.05455	0.4
197.06050	1.3
200.08102	0.5
213.05553	1.1
215.07060	0.7
225.44395	0.4
238.56082	0.4
243.06610	100.0
244.06956	8.6
247.09401	0.5
269.69052	0.4
279.78116	0.4
387.10812	1.1
447.12866	3.7
447.25424	1.0
448.13171	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50375	1.2
59.01379	100.0
61.98820	4.0
71.53739	1.7
78.95886	2.6
91.04024	3.3
99.04561	1.6
108.11058	1.6
121.02926	1.5
130.24368	1.6
152.99547	2.9
158.13814	1.4
190.90999	1.6
199.55182	1.4
209.11922	1.7
299.99951	1.6
311.22321	13.0
333.68112	1.6
401.22961	3.5
445.10315	4.1
445.21790	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	446.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76408	0.5
59.01377	18.8
60.01719	0.8
61.98830	100.0
63.58147	0.4
69.26855	4.8
115.02581	1.3
116.02733	0.6
117.00433	1.0
117.02228	0.8
119.00217	0.8
151.12936	0.5
159.01482	9.6
160.01639	5.6
161.01189	7.3
161.98947	22.0
162.01723	0.9
162.99109	1.1
192.21179	0.5
201.02594	1.5
202.02644	2.8
203.02408	1.6
204.00011	5.2
205.00169	0.7
228.15450	0.6
247.29092	0.5
261.99078	0.8
262.01550	0.5
301.02753	0.8
302.02783	6.4
303.02478	12.5
303.99994	51.4
304.02722	6.3
304.99966	7.1
341.50735	0.5
416.78540	0.5
458.48895	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96730	0.8
59.01373	4.2
61.98833	100.0
70.01760	3.0
71.01384	1.1
73.07932	0.7
78.95905	3.3
98.19913	1.4
110.98547	2.4
117.64540	0.7
131.14255	0.8
167.01157	2.1
182.75581	0.6
225.15016	0.7
277.21713	4.4
278.22040	17.3
279.22595	2.1
343.70486	0.8
361.23969	4.7
387.19797	0.8
430.22342	0.7
437.74161	0.7
446.21521	38.5
447.21851	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	447.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
55.31143	0.6
57.03431	0.6
59.01382	4.4
63.00260	0.7
69.68797	3.3
71.01379	6.0
73.02944	1.7
83.01406	1.0
85.02954	4.1
89.02458	1.1
95.78324	0.7
96.10542	0.7
98.19964	0.8
99.00880	2.6
101.02435	2.8
104.46387	0.6
108.02175	50.1
109.02986	16.6
113.02455	1.8
123.04482	0.8
133.02936	0.7
135.04515	0.7
151.03999	2.1
151.21375	0.6
152.01152	94.5
153.01811	5.1
159.02881	0.7
160.97871	0.7
161.04559	1.0
163.04045	3.5
177.50613	0.6
183.77507	0.7
224.64465	0.6
268.88123	0.6
447.11432	100.0
448.11707	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	445.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.3
75.55262	0.5
77.22289	0.5
78.44968	0.4
78.95905	16.7
82.53570	0.5
84.84998	0.4
91.95151	0.5
110.98531	10.9
116.18556	0.4
118.87273	0.4
148.08607	0.5
162.86571	0.5
167.01141	10.2
185.02162	4.0
223.18845	0.5
229.02333	0.5
259.20850	0.5
277.21707	100.0
278.22064	12.2
445.23584	12.4
446.23926	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82623	4.3
59.01367	7.0
61.98820	12.9
69.65636	3.9
71.51737	6.1
81.07093	8.0
87.99730	4.7
96.98799	3.8
105.01920	5.4
110.31259	4.0
125.05238	7.5
125.06091	94.1
154.19885	4.3
189.48950	3.7
301.21707	7.6
303.30426	6.7
365.30600	100.0
366.30942	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	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.9
58.00604	0.8
59.01379	100.0
60.01705	1.1
69.69463	3.3
71.01379	19.1
72.01750	0.7
72.99294	1.6
73.02946	2.6
83.01391	1.3
85.02940	5.6
87.00863	3.4
89.02444	23.4
95.01383	1.5
99.00873	0.8
101.02444	11.8
113.02444	8.8
119.03491	9.4
122.03760	1.0
131.03506	1.2
135.08086	0.7
140.55032	0.7
143.03546	2.2
149.04602	1.0
153.09265	1.9
159.03043	1.0
161.04561	7.9
179.05632	4.5
223.13495	0.9
237.11349	2.7
282.76273	0.7
283.15643	2.0
315.14465	11.4
316.14935	0.8
327.14478	9.9
328.14801	1.0
336.34918	0.7
367.17664	5.3
368.17996	0.9
385.18707	1.7
445.21417	0.9
464.60828	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30856	0.5
54.00646	0.5
57.03450	1.1
59.01377	100.0
60.01721	1.4
60.33048	0.4
69.00773	0.5
69.44434	3.5
69.44750	0.9
71.01384	14.2
71.05016	0.6
72.99319	0.7
73.02932	3.7
83.01393	1.9
85.02945	6.1
86.91969	0.5
87.00901	0.6
89.02436	11.5
90.51607	0.6
95.01411	1.6
98.20714	1.0
98.71441	0.4
99.00919	0.8
100.44252	0.6
101.02444	9.0
113.02438	8.5
113.03153	0.5
119.03495	4.8
121.42881	0.5
143.03600	1.0
161.04591	2.0
179.05479	0.9
190.54903	0.5
192.47519	0.5
196.81871	0.4
201.70503	0.4
205.12338	2.8
223.13379	0.7
243.23027	0.5
359.21066	0.7
385.18634	14.3
386.14725	0.5
386.18640	2.3
403.19681	7.4
404.20300	1.0
420.98047	0.5
445.20773	12.2
446.21265	2.1
449.21082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21782	0.4
59.01363	1.3
69.20991	0.9
69.21399	3.1
78.95903	19.4
82.82477	0.5
94.98981	0.5
98.20643	1.0
103.39394	0.4
104.97499	0.8
110.98532	13.7
137.00096	0.6
167.01144	16.3
168.01495	0.7
185.02208	4.1
259.20776	1.0
271.42245	0.5
277.21710	100.0
278.22031	10.1
390.96762	0.5
445.23596	17.1
446.23862	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	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78350	0.7
55.01887	0.9
57.03456	1.0
59.01378	100.0
70.63979	0.7
71.01382	17.8
72.99311	1.3
73.02955	3.5
83.01416	1.3
85.02954	4.4
87.00889	3.3
89.02446	19.2
95.01408	1.1
98.20660	2.4
98.64393	0.7
99.00883	0.9
101.02447	11.8
106.25820	0.8
113.02453	8.0
119.03500	8.0
122.03758	1.3
131.03500	1.5
143.03552	2.1
159.02895	1.1
161.04536	9.7
161.05719	0.9
165.09216	0.9
179.05606	4.6
206.62299	0.8
216.37766	0.9
229.38564	0.9
237.11354	2.7
282.14868	0.9
283.15527	2.5
315.14438	9.9
327.14462	7.0
367.17532	5.8
385.18616	2.1
456.33350	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.3
69.37414	8.8
71.01379	5.7
72.00906	1.9
74.02454	2.9
75.00871	76.9
76.01207	1.6
89.02451	10.2
101.02429	1.5
103.00373	100.0
104.00698	1.4
104.03542	16.0
113.02448	1.8
119.03484	3.4
136.79102	1.1
148.70451	1.3
149.04562	20.3
152.95956	2.4
179.05548	3.9
182.96985	3.8
192.87268	1.5
222.97775	1.6
256.90225	2.7
317.80258	1.4
341.10925	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	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95711	0.3
57.03424	0.4
57.78645	0.3
59.01383	2.1
63.37101	0.3
66.39925	0.3
69.40285	2.8
71.01372	2.5
73.02945	3.4
85.02942	1.5
87.04526	0.9
92.78332	0.3
99.04511	0.9
101.02444	0.8
102.98600	1.9
105.57420	0.3
113.06096	0.6
122.03737	44.0
123.04034	1.2
123.04604	0.6
124.05282	1.1
125.06153	0.4
134.03725	1.3
135.04506	1.2
136.05312	0.5
137.06087	0.5
148.05298	0.4
149.06065	8.5
150.06865	3.6
151.07645	8.8
153.09235	2.7
161.09702	1.3
162.06847	0.8
163.07587	1.0
165.09142	0.5
177.09143	1.2
178.09889	0.5
179.10760	2.2
189.09210	0.7
191.10767	8.5
192.11113	0.5
192.93953	0.4
207.10237	1.8
209.11890	0.4
214.09966	0.9
217.12338	1.2
229.12354	2.2
235.13406	3.3
236.13487	0.6
247.13396	0.5
251.12863	6.8
252.13164	0.8
253.14395	1.0
265.14404	1.3
270.04340	0.4
282.14719	13.3
283.15488	100.0
284.15833	8.4
284.18787	0.6
346.01120	0.3
445.20673	6.7
446.21182	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19950	0.3
59.01377	0.9
61.05551	0.3
69.31510	2.3
69.31913	0.6
71.01385	2.1
73.02943	3.8
83.01410	0.3
85.02956	1.1
87.04530	1.0
95.05000	0.6
99.04536	0.9
101.02425	0.5
102.98601	0.4
103.89098	0.3
113.06029	0.4
122.03738	42.3
123.04108	1.2
124.05317	0.8
134.03717	0.9
135.04564	1.5
136.05287	1.0
137.06050	0.6
148.05328	0.5
149.06073	7.8
149.93503	0.3
150.06886	3.6
151.07646	8.8
152.07983	0.6
153.09219	2.6
153.10277	0.5
161.09749	0.9
162.06895	0.7
163.07637	1.3
165.05573	0.4
165.09166	0.7
175.07542	0.4
176.08409	0.5
177.09196	1.7
178.10059	0.7
179.10789	2.9
185.19991	0.3
189.09190	0.7
191.10782	8.4
192.11165	0.5
207.10188	1.7
214.10069	0.5
217.12300	1.2
227.10686	0.3
229.12292	1.8
235.13377	2.5
236.13530	0.5
237.11191	0.4
247.13397	0.5
249.11295	0.4
251.12869	8.4
252.13174	0.6
253.14384	0.9
265.14371	1.4
268.13095	0.3
282.14709	11.3
283.15485	100.0
284.15860	7.7
445.20685	4.2
446.20801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40004	0.9
55.01867	1.2
59.01157	0.8
59.01377	8.9
61.98817	2.9
69.03441	1.9
69.49615	7.1
69.49959	1.3
71.01372	2.1
71.05018	4.3
72.00921	1.1
72.55260	0.8
73.02942	2.1
79.95722	1.7
83.04967	1.0
85.02943	1.4
85.06585	8.6
85.36963	1.1
87.00845	1.0
89.02428	3.0
94.32749	0.9
96.96011	3.5
97.06569	2.4
98.95584	1.6
99.00879	24.4
99.08139	1.8
101.02413	1.4
105.01908	1.3
109.06575	2.6
111.04521	33.7
111.08149	1.3
112.04855	1.3
114.09247	7.6
115.07642	19.9
127.07649	29.2
127.11245	1.6
128.10811	4.3
129.05571	8.3
131.03458	2.7
133.43575	0.9
136.21718	0.9
138.09163	2.1
140.10805	2.8
149.04544	14.6
150.04887	1.0
152.10825	1.6
153.09340	1.0
156.10291	62.4
157.10609	2.5
158.11856	100.0
159.12170	4.1
171.06601	9.3
181.12289	1.7
182.15503	1.5
183.13860	1.2
196.09767	4.3
200.15874	1.0
206.15321	1.1
209.11798	1.2
212.16586	4.5
214.10837	7.4
225.11368	1.9
250.18221	1.9
312.18146	87.0
313.18619	8.2
317.61435	0.9
394.68427	0.9
444.22107	17.9
445.22949	1.8
455.30099	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39273	0.7
53.70411	0.8
59.01376	2.6
66.69876	0.9
69.03430	4.3
71.52477	0.9
72.99300	4.2
75.58447	0.7
113.02444	4.8
357.00308	0.7
359.15332	22.7
360.15497	2.8
361.23807	100.0
362.24170	11.8
416.67422	0.9
418.51663	1.0
425.32611	2.2
427.21548	10.0
428.21887	1.2
443.24130	43.4
444.24490	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	443.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05086	0.8
69.31143	7.4
138.34361	0.9
157.77733	1.0
159.08496	4.4
161.06377	1.4
217.07196	1.4
247.64223	0.7
277.07431	1.9
343.12183	1.0
357.13742	2.0
359.15335	100.0
360.15509	14.4
377.15985	1.0
427.21579	52.0
428.21692	11.7
443.24658	6.3
444.25238	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	444.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72227	0.2
54.66238	0.2
58.08067	0.2
59.01373	1.8
59.73586	0.3
61.98829	100.0
68.21647	0.2
68.55459	0.2
71.52138	0.3
80.96548	0.3
97.36721	0.3
113.02483	0.3
117.59624	0.3
130.31468	0.3
216.11050	0.3
297.87497	0.3
298.34509	0.2
300.77307	0.3
352.25916	0.2
384.99463	0.3
444.10620	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
59.01109	1.0
59.01385	13.9
60.22008	0.8
60.97921	0.6
61.98827	7.5
62.51163	0.7
63.99265	0.9
69.03445	3.2
71.01380	3.6
71.05016	3.3
71.52693	1.3
72.97544	1.3
73.02947	3.5
74.99055	1.0
78.95799	0.9
79.95736	1.9
83.01387	0.8
83.05038	1.9
85.02930	1.5
85.06594	6.0
89.02455	3.1
96.96023	4.0
97.06613	1.2
98.95596	10.0
99.00885	41.0
99.08157	1.0
101.02417	2.2
102.22807	0.8
102.23500	0.8
102.98577	0.9
103.04049	0.9
109.06586	3.4
111.04528	11.9
111.08148	2.5
113.02499	1.2
114.09270	10.4
115.07654	100.0
116.08011	3.7
118.37463	0.8
118.98070	2.5
120.06633	0.7
122.09754	3.0
127.07649	4.4
127.11298	3.0
128.10837	1.9
129.05595	10.3
130.91324	0.7
131.03532	2.2
138.09262	1.1
140.10817	1.8
149.04561	10.2
150.04887	0.9
152.10811	1.2
153.05534	0.8
153.09145	1.9
156.10303	23.0
157.10649	1.0
158.08220	2.4
158.11870	31.7
159.12213	1.9
171.06682	10.8
171.10210	5.1
172.06963	0.9
180.92999	0.7
181.12303	1.3
182.12572	1.1
191.05634	1.0
196.09793	13.7
197.08139	1.1
197.10014	0.9
200.21109	0.7
214.08986	1.2
214.10867	19.3
215.11205	1.8
225.11295	2.1
226.11595	1.3
248.05548	0.9
250.18100	1.8
312.18173	43.9
313.18445	3.5
444.21674	14.7
445.23004	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	443.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	2.1
59.01378	100.0
60.01714	1.7
61.98841	3.5
66.18576	1.1
69.03444	2.1
70.32593	2.9
71.01381	40.3
72.01723	1.3
72.99302	1.3
73.02945	83.0
74.03312	1.4
75.21938	1.0
83.01388	19.7
85.02950	3.5
87.00896	2.3
89.02437	9.4
92.65826	1.2
96.74001	1.1
96.96002	6.5
97.02963	1.6
97.06591	1.1
99.04510	20.4
101.02441	59.6
102.02746	1.3
113.02431	9.2
119.03509	2.5
125.02428	1.9
131.03529	3.2
141.12849	2.9
143.03473	2.6
149.04549	2.8
155.03510	1.3
159.08174	1.2
161.04558	8.6
163.70781	1.2
177.16479	26.3
178.16762	1.5
195.08199	1.2
201.09174	2.0
203.05756	1.3
210.03038	1.1
213.09171	3.3
221.15462	26.6
222.15958	1.6
223.17116	2.1
231.10191	1.8
239.16498	13.0
240.16905	1.2
245.08185	2.7
257.08176	2.6
275.09314	5.8
323.32138	1.1
365.10175	1.1
383.20856	2.1
401.21680	6.1
435.56024	1.2
443.13693	2.2
443.22855	32.7
444.23010	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	443.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00397	1.2
55.01869	1.6
57.03430	1.5
58.00589	1.4
59.01377	100.0
60.01687	1.7
61.98827	3.2
69.03443	1.4
69.25616	12.3
71.01375	39.4
72.01659	1.2
72.99295	1.5
73.02943	77.5
81.94997	1.2
83.01388	18.5
84.01714	1.1
85.02950	2.9
87.00886	1.8
89.02438	8.1
96.96005	7.8
97.02966	1.7
98.19814	2.8
99.03901	2.5
99.04514	25.3
101.02438	63.4
102.02785	2.0
113.02429	10.7
116.27120	1.2
119.03514	3.6
125.02489	2.7
127.07339	1.5
131.03493	2.7
141.12828	3.2
143.03490	2.1
149.04533	3.1
155.03574	1.5
161.04549	12.4
171.08075	1.6
177.16473	38.2
178.16829	2.3
195.08250	1.6
201.09210	1.8
203.05582	1.5
213.09225	3.5
221.15428	28.4
222.15845	2.5
239.16487	15.2
245.08157	6.2
257.08191	3.1
263.12964	2.0
275.09189	5.1
307.11758	1.8
352.87030	1.5
361.71078	1.3
383.20898	2.6
401.21872	5.0
443.13678	1.8
443.22809	37.8
444.23251	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	443.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.3
59.01373	8.8
69.31924	7.1
71.01369	6.6
73.02956	6.4
81.03460	2.3
83.01384	2.4
83.05020	3.0
85.02951	2.8
87.00848	0.9
97.02984	2.1
98.19913	1.5
99.00885	1.0
99.04517	5.6
101.02441	3.1
106.22836	1.0
107.05012	1.2
108.02146	1.1
113.02436	3.1
121.06590	1.9
122.02901	1.9
122.03739	23.9
123.04500	3.1
127.07642	1.2
134.03763	6.0
135.04530	15.8
136.05336	7.7
137.06099	7.2
148.05281	1.8
149.06078	19.5
150.06862	40.4
151.07648	69.1
152.07941	3.9
159.04495	2.1
159.10260	3.1
161.04543	3.2
161.05890	1.1
162.06711	1.1
163.07678	3.7
165.05579	6.9
171.08183	3.8
173.06023	1.3
174.06842	16.5
175.07454	2.3
176.08458	2.3
177.09171	6.4
179.07138	1.1
187.07712	1.3
188.08519	1.6
189.09203	23.9
189.10849	1.8
190.09561	2.8
192.07903	15.1
205.08708	3.8
206.09384	1.7
207.10239	24.9
208.10585	1.7
233.11789	2.9
245.11769	1.2
247.21024	0.9
263.12909	1.3
280.13150	9.1
281.13931	100.0
282.14240	10.2
313.12561	1.0
443.19254	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	443.1922
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01873	2.7
56.84056	0.5
57.03450	2.9
58.00582	0.9
59.01379	100.0
60.01711	1.6
60.67369	0.4
71.01380	32.5
71.52064	0.7
71.93370	0.4
72.01716	0.6
72.99310	1.6
73.02946	10.7
81.03487	0.6
83.01381	5.4
85.02949	15.6
86.00096	0.5
87.00871	3.7
89.02441	8.1
95.01389	2.5
96.96019	1.4
97.02977	0.6
99.00865	3.2
101.02443	25.8
102.98581	0.8
111.00866	0.8
111.04539	0.7
113.02453	12.0
119.03474	2.3
120.99661	0.6
123.08172	1.6
125.02417	0.8
129.01939	1.0
134.53780	0.5
135.08142	0.9
140.43681	0.5
143.03482	1.7
149.06227	0.5
159.02969	2.1
161.03249	1.0
161.04561	12.4
177.12718	0.7
193.05026	0.5
195.13925	4.9
240.06230	0.5
277.10547	0.5
281.13705	0.7
298.21799	0.5
339.18164	0.8
357.19165	14.3
358.19449	1.9
383.17038	0.9
401.18155	0.8
401.68298	0.5
435.25955	0.5
443.19202	86.0
444.19550	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	443.1921
Annotation	Dendromoniliside C
Peak:m/z	Relative Intensity
57.03454	1.3
59.01373	8.8
69.31924	7.1
71.01369	6.6
73.02956	6.4
81.03460	2.3
83.01384	2.4
83.05020	3.0
85.02951	2.8
87.00848	0.9
97.02984	2.1
98.19913	1.5
99.00885	1.0
99.04517	5.6
101.02441	3.1
106.22836	1.0
107.05012	1.2
108.02146	1.1
113.02436	3.1
121.06590	1.9
122.02901	1.9
122.03739	23.9
123.04500	3.1
127.07642	1.2
134.03763	6.0
135.04530	15.8
136.05336	7.7
137.06099	7.2
148.05281	1.8
149.06078	19.5
150.06862	40.4
151.07648	69.1
152.07941	3.9
159.04495	2.1
159.10260	3.1
161.04543	3.2
161.05890	1.1
162.06711	1.1
163.07678	3.7
165.05579	6.9
171.08183	3.8
173.06023	1.3
174.06842	16.5
175.07454	2.3
176.08458	2.3
177.09171	6.4
179.07138	1.1
187.07712	1.3
188.08519	1.6
189.09203	23.9
189.10849	1.8
190.09561	2.8
192.07903	15.1
205.08708	3.8
206.09384	1.7
207.10239	24.9
208.10585	1.7
233.11789	2.9
245.11769	1.2
247.21024	0.9
263.12909	1.3
280.13150	9.1
281.13931	100.0
282.14240	10.2
313.12561	1.0
443.19254	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	442.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79228	2.4
59.46975	2.5
61.98831	100.0
96.96053	3.2
104.18901	2.6
156.11870	4.0
231.28897	2.8
442.20578	41.9
442.26199	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	442.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97268	0.8
53.04971	0.9
57.03439	0.8
61.98828	100.0
67.53734	0.9
71.51681	1.4
81.03465	3.2
113.70811	0.9
125.02522	1.0
158.56316	0.9
164.97343	1.0
189.08414	0.9
193.15067	1.0
235.09749	3.6
248.17055	1.0
249.11192	1.3
333.35828	1.0
379.28479	8.0
443.28049	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	443.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38686	1.8
59.01382	78.1
60.01704	7.3
61.01806	5.7
61.98838	15.0
69.46480	15.0
71.01380	10.1
80.96513	2.9
85.02937	2.4
89.02448	6.3
93.03474	2.1
96.96018	11.8
99.04514	4.5
101.02431	5.1
101.06082	77.5
103.00374	3.4
112.61922	2.0
113.02425	3.9
117.03481	9.0
119.04990	2.2
137.02415	4.1
159.25255	2.1
161.00876	2.5
164.04781	29.8
174.85991	2.0
179.07074	6.3
185.25024	1.8
248.06372	1.9
266.11584	35.6
267.11755	3.0
271.17291	2.5
281.13947	100.0
282.14325	10.0
328.09857	2.5
370.25763	2.0
401.21964	2.2
411.10880	5.0
443.13086	12.4
443.23004	3.1
444.13824	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	443.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.3
59.01373	8.8
69.31924	7.1
71.01369	6.6
73.02956	6.4
81.03460	2.3
83.01384	2.4
83.05020	3.0
85.02951	2.8
87.00848	0.9
97.02984	2.1
98.19913	1.5
99.00885	1.0
99.04517	5.6
101.02441	3.1
106.22836	1.0
107.05012	1.2
108.02146	1.1
113.02436	3.1
121.06590	1.9
122.02901	1.9
122.03739	23.9
123.04500	3.1
127.07642	1.2
134.03763	6.0
135.04530	15.8
136.05336	7.7
137.06099	7.2
148.05281	1.8
149.06078	19.5
150.06862	40.4
151.07648	69.1
152.07941	3.9
159.04495	2.1
159.10260	3.1
161.04543	3.2
161.05890	1.1
162.06711	1.1
163.07678	3.7
165.05579	6.9
171.08183	3.8
173.06023	1.3
174.06842	16.5
175.07454	2.3
176.08458	2.3
177.09171	6.4
179.07138	1.1
187.07712	1.3
188.08519	1.6
189.09203	23.9
189.10849	1.8
190.09561	2.8
192.07903	15.1
205.08708	3.8
206.09384	1.7
207.10239	24.9
208.10585	1.7
233.11789	2.9
245.11769	1.2
247.21024	0.9
263.12909	1.3
280.13150	9.1
281.13931	100.0
282.14240	10.2
313.12561	1.0
443.19254	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	442.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51112	0.3
59.01377	5.3
60.01698	0.6
61.98829	100.0
69.64854	1.0
69.65257	1.1
71.01404	0.3
96.96017	4.9
98.19930	0.4
107.97390	0.4
113.60374	0.3
124.95697	0.4
154.42145	0.5
203.81216	0.4
206.05630	0.5
286.42261	0.4
328.95059	0.4
442.25629	3.1
443.25400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	17.8
59.06609	0.9
60.01715	1.9
61.01786	2.0
61.98829	100.0
62.34830	0.9
66.87544	1.0
69.43347	9.1
70.38112	1.1
73.02922	1.4
79.95749	7.6
87.00839	1.2
89.98186	1.0
96.96000	19.1
98.19940	2.0
98.95605	1.2
99.04511	1.3
104.35651	1.1
163.11258	1.3
181.12260	3.8
225.11246	3.0
378.37692	1.2
442.16425	2.4
442.25525	16.1
443.25211	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	442.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.0
58.39816	1.7
59.01380	100.0
60.01712	13.5
61.01796	15.6
61.98541	2.8
61.98833	50.5
62.02130	1.9
63.99242	5.3
65.25981	1.6
71.01373	6.2
71.30386	1.7
71.53954	1.9
73.02940	4.9
83.01393	1.8
85.02944	2.7
101.02428	5.5
113.02428	2.8
162.16537	1.9
191.05568	4.4
194.10165	2.2
241.92723	1.9
255.59550	2.4
407.19910	1.6
425.08963	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	442.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31735	7.3
57.51826	7.9
60.13739	8.7
61.98826	100.0
65.90838	7.7
68.79787	6.3
70.80499	7.0
71.52288	12.8
76.76186	8.5
81.31407	7.9
86.89942	6.9
106.51456	6.8
139.88014	7.7
146.41449	7.8
176.38130	7.3
251.23787	10.5
293.24667	14.3
335.26056	28.5
379.24838	91.9
469.93192	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	441.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47288	0.6
57.74524	0.7
59.01379	100.0
60.01714	1.3
61.98832	1.1
69.99335	2.3
69.99737	1.5
71.01388	2.3
79.95734	0.8
80.96542	0.9
81.37672	0.7
98.19943	0.7
101.02456	1.1
113.02473	1.7
117.39112	0.8
118.93658	0.8
145.86716	0.7
160.25647	0.8
254.24649	0.7
344.09506	3.2
367.67340	0.9
442.25778	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2493
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01879	1.1
57.03441	0.9
59.01380	100.0
60.01710	0.8
61.98835	6.6
65.98923	0.6
67.27379	0.5
70.32266	1.9
71.01376	9.6
73.02951	3.6
83.01405	1.6
85.02953	6.1
89.02472	1.3
95.01407	0.7
99.00887	0.7
99.04510	1.9
101.02448	6.6
111.00881	0.6
113.02428	4.0
119.03623	0.6
125.02483	1.1
143.03532	0.8
145.66000	0.4
149.95387	0.6
151.61806	0.5
156.53963	0.5
159.03044	0.5
161.04536	3.4
231.19635	0.5
265.29639	0.5
381.22928	1.2
399.23859	12.9
399.28641	0.7
400.24335	1.5
458.70807	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2526
Annotation	Dendronpholide M
Peak:m/z	Relative Intensity
53.61713	0.3
59.01382	4.9
62.61500	0.3
69.42107	2.3
69.42447	0.6
71.01387	0.4
78.91899	0.4
79.95747	5.3
80.96521	1.3
93.03442	0.4
95.95236	0.4
96.96013	100.0
98.20727	0.3
135.49947	0.3
140.96042	0.3
145.44014	0.3
149.49159	0.3
173.04562	0.8
189.04213	0.3
225.17752	0.3
229.01704	0.4
230.02480	0.4
243.03395	0.6
307.78436	0.3
332.39380	0.3
344.09433	1.5
393.47717	0.3
431.15338	0.3
441.16589	3.6
441.25247	68.1
442.16443	0.6
442.25598	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	441.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75207	0.2
56.52676	0.3
58.06179	0.3
59.00069	0.2
59.01378	6.1
60.01720	0.3
61.98831	3.5
69.83166	1.0
69.83566	0.4
71.01380	0.6
74.50080	0.3
79.95734	4.4
85.02941	0.3
87.46152	0.3
89.02441	0.3
96.39719	0.3
96.96010	100.0
97.95932	0.5
101.02434	0.3
102.98609	1.9
129.47604	0.2
155.01689	0.2
158.22496	0.3
171.61540	0.2
181.08548	0.3
248.11092	0.3
344.09357	0.7
441.25256	72.0
442.25626	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31717	0.3
59.01377	5.7
61.98830	0.5
66.44740	0.3
67.51604	0.4
69.51951	1.6
69.52369	0.8
70.57722	0.3
71.01392	0.3
76.50770	0.2
78.91855	0.6
79.95741	4.4
80.96513	0.6
80.97849	0.3
81.03523	0.3
90.44434	0.3
95.73223	0.3
96.96011	100.0
97.95946	0.4
98.19899	0.5
112.05346	0.4
148.99481	0.3
160.80247	0.3
173.04517	1.2
179.22304	0.4
317.01840	0.3
344.09232	0.6
441.25250	79.3
442.25540	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	441.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28224	0.4
55.01878	0.8
57.03445	1.2
59.01379	100.0
59.98870	0.5
60.01716	1.4
61.98830	5.3
69.03498	0.5
70.07965	2.3
71.01382	12.2
71.05016	0.5
73.02944	2.7
83.01414	2.1
85.02954	5.2
89.02467	1.7
90.98608	0.9
95.01404	1.0
96.96010	0.6
99.00880	1.1
99.04539	0.5
101.02444	6.3
113.02441	4.1
116.92942	0.5
119.03582	0.6
143.03491	0.8
159.02975	0.5
161.04555	3.6
196.10280	0.4
237.18607	2.6
251.11424	0.5
298.69647	0.4
310.63678	0.5
381.22818	2.4
383.08163	0.6
399.23792	5.8
400.24405	0.6
426.09775	0.8
441.11945	1.0
441.24081	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85064	0.5
59.01377	100.0
60.01715	1.1
61.98826	15.0
69.73431	2.2
71.01375	4.0
73.02953	1.4
85.02957	0.9
89.02449	1.2
98.71436	0.5
101.02440	1.5
113.02476	1.9
161.04599	1.1
253.67815	0.5
397.03574	0.5
445.37540	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91486	0.2
55.01865	0.3
57.03439	0.5
59.01380	100.0
60.01707	1.2
61.01793	0.2
61.98831	14.3
69.21510	2.5
71.01382	4.7
73.02941	1.4
74.86504	0.3
79.97519	0.2
83.00690	0.2
83.01399	0.8
85.02950	2.1
87.00896	0.3
89.02454	1.5
95.01395	0.6
96.96007	0.3
98.20682	0.5
99.00888	0.6
101.02448	2.9
102.90496	0.2
113.02448	2.5
119.03485	0.5
130.91020	0.2
161.04521	1.5
239.27779	0.3
309.20764	0.4
331.59930	0.3
343.15100	0.3
364.77139	0.3
381.22931	0.8
399.23749	2.8
400.24301	0.4
407.92441	0.3
424.23572	0.3
426.09732	0.7
441.12103	0.6
441.24091	0.3
441.29581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14645	0.5
59.01385	1.8
61.98832	1.4
63.80334	0.5
70.37807	1.0
83.85246	0.4
94.71747	0.5
96.62762	0.4
97.46352	0.4
98.20010	0.5
131.79225	0.5
201.14034	0.5
206.00726	0.6
296.32693	0.5
339.81268	0.5
359.22253	100.0
360.22610	12.5
392.35770	0.5
441.22525	38.5
442.22864	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	441.2497
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01884	0.8
57.03431	0.9
59.01381	100.0
60.01720	1.5
61.98831	11.7
69.61514	2.3
69.61940	1.5
71.01379	7.2
73.02949	5.0
79.95769	0.8
83.01402	2.5
83.02777	0.6
85.02969	3.2
89.02467	1.2
96.96024	2.1
97.06602	0.7
101.02441	7.1
108.50179	0.7
109.02943	0.6
109.06607	1.1
113.02459	4.0
119.03496	0.9
135.12236	0.5
147.08252	0.6
161.04596	2.5
182.31860	0.6
191.05650	0.8
209.47432	0.5
219.17636	1.2
221.50746	0.5
359.01727	0.9
373.28049	0.6
399.23685	5.1
400.24304	1.1
441.24039	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67173	0.8
57.04976	0.9
59.01379	57.1
60.01683	1.2
61.98830	100.0
62.98535	1.9
63.99246	2.5
68.16924	0.8
70.61925	1.7
70.62283	1.6
71.01382	11.6
73.02947	8.0
79.95735	1.1
83.01379	2.1
85.02946	4.6
89.02444	8.1
95.01387	1.1
96.96024	6.3
100.37873	0.7
101.02431	9.8
102.10755	0.9
113.02464	4.3
119.03475	2.8
161.04610	0.8
219.13860	1.4
225.75803	1.1
307.38373	0.8
339.43640	0.9
399.20038	2.5
441.20892	15.7
442.21503	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	441.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
59.01379	5.3
61.98825	1.7
64.80657	1.0
67.19398	1.1
69.82278	1.4
69.91739	5.7
71.01373	11.1
73.02949	3.2
79.95758	1.3
82.05012	1.0
83.01392	2.2
85.02934	5.8
85.83760	1.0
89.02445	2.0
96.96005	11.6
97.02910	1.6
99.00922	1.5
99.04516	52.5
100.04861	2.1
101.02427	7.2
107.05106	1.8
109.02940	1.6
111.00852	1.5
113.02455	6.7
118.98108	10.6
121.02867	1.2
121.06628	1.7
122.03745	19.6
123.04533	1.6
133.06572	2.6
134.03743	5.9
135.04532	16.4
136.05290	7.6
137.06085	7.1
139.09819	1.4
149.06088	39.9
150.03265	2.2
150.06871	61.3
151.07654	44.5
152.07964	2.9
159.03003	2.1
161.04565	9.7
161.06081	5.4
162.06847	7.1
163.03966	1.5
163.07625	3.0
164.04832	2.8
165.05537	7.3
165.09206	2.4
175.07715	1.8
178.06358	53.2
179.07138	100.0
180.07454	5.4
187.07629	1.6
191.07072	2.1
195.06664	2.0
201.09271	2.9
202.09979	5.0
216.11574	14.1
217.12315	95.3
218.12688	8.5
231.10272	2.8
234.12772	1.3
235.13347	13.9
236.09979	1.3
236.13643	1.3
261.11249	12.4
279.12222	7.2
284.09012	1.8
300.06967	1.2
341.12363	23.2
342.12622	2.7
379.17517	1.9
382.42062	1.3
420.69922	1.4
423.16797	10.2
435.69034	1.3
441.12192	2.3
441.17627	28.5
442.17868	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	440.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09366	2.1
61.98831	100.0
67.23307	2.0
70.73196	6.8
74.89339	2.1
81.10370	2.4
102.26274	2.4
102.65813	2.2
107.26699	2.1
113.35642	2.4
125.67250	2.2
126.62680	2.5
133.21642	3.0
148.01564	2.4
259.20447	3.0
274.63290	2.4
322.42484	2.6
432.38507	2.5
441.20102	3.8
461.10324	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	441.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.1
59.53984	0.4
61.98846	0.4
62.37830	0.5
69.56142	3.1
71.01382	1.3
73.02946	0.5
79.95740	30.8
80.96517	1.0
89.02450	0.6
95.94604	1.1
95.95234	23.7
96.96014	83.9
109.02979	0.5
109.96774	0.5
110.97590	7.6
118.98103	1.3
121.02924	0.5
136.99153	5.8
141.95747	0.7
147.04509	1.0
163.63866	0.4
165.05574	0.9
167.00195	42.0
168.00542	1.4
191.05635	1.0
239.19273	0.5
245.01175	0.7
247.76108	0.5
259.02792	0.6
273.04373	1.7
287.05832	1.8
289.03833	0.7
303.05508	1.7
361.16550	1.1
395.07892	0.5
426.09940	1.9
441.12225	100.0
442.12515	10.9
442.18237	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39956	1.3
59.01379	12.6
61.98832	100.0
64.75222	1.3
70.29996	1.4
74.55337	1.4
75.05448	1.4
75.86579	1.5
79.43526	1.4
85.24877	1.4
91.31982	1.6
94.74890	1.7
129.72481	1.7
136.97597	1.7
185.90900	1.9
195.56572	1.9
199.72792	1.8
214.50456	1.7
217.86691	1.4
249.48129	1.5
298.71756	1.6
371.96210	1.7
449.58829	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	440.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13074	0.5
54.08172	0.5
54.41075	0.6
59.01382	8.1
61.98831	100.0
69.71532	2.6
74.83428	0.6
79.17904	0.6
83.28870	0.5
91.56315	0.5
97.06490	0.6
108.34854	0.6
111.50896	0.5
139.11331	0.6
140.10866	0.7
162.25250	0.5
169.12291	1.3
172.80594	0.6
183.13919	0.8
185.11841	0.7
235.68346	0.5
289.17883	0.7
440.30621	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	440.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	64.3
60.01706	2.3
61.98830	100.0
63.41602	1.2
69.65313	3.9
69.65742	3.3
70.04305	1.2
70.96685	1.3
71.01379	4.2
79.95791	1.7
85.02934	2.7
89.02470	1.8
91.89880	1.0
96.95987	1.0
101.02416	2.2
113.02470	1.7
119.03519	1.1
161.04466	1.5
174.99210	1.7
191.05652	1.3
236.17365	4.6
241.60728	1.5
300.47729	1.2
380.21719	3.8
398.22659	4.8
399.23935	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	440.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	22.8
60.01707	0.9
61.98830	100.0
69.91193	0.6
69.96988	2.6
76.21481	0.6
92.45689	0.7
112.48895	0.6
125.37376	0.7
211.13226	0.8
248.66862	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	8.8
59.53423	0.8
61.98830	100.0
65.57216	1.0
69.53986	3.1
69.54391	2.4
71.01365	1.4
98.20634	1.5
101.02463	1.0
142.01282	0.8
258.12155	0.9
441.21411	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	440.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33721	1.2
59.01380	100.0
61.98831	88.8
69.74603	8.2
71.01387	11.1
73.02947	3.0
85.02956	4.3
99.00883	1.8
99.04517	9.4
101.02437	7.7
113.02401	2.5
161.04562	2.9
254.19081	1.4
297.47186	1.4
381.22604	1.9
399.23825	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	440.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12501	2.5
59.01374	5.3
61.98832	100.0
71.52636	3.7
139.69162	2.2
149.06071	2.5
171.89742	2.9
179.22322	2.3
343.80646	2.5
369.24994	2.9
440.25192	5.7
441.26614	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	440.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31964	0.6
56.07529	0.6
59.01380	13.3
61.98829	100.0
62.70851	0.6
63.19815	0.6
65.35376	0.5
71.01392	1.3
71.52429	1.2
73.02952	1.1
83.77646	0.6
97.37592	0.6
101.02469	0.8
107.04919	0.7
113.02489	0.9
119.03550	0.6
182.98767	0.9
289.18265	2.3
306.19669	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45337	1.5
57.03437	1.5
61.98825	3.0
66.59301	1.3
69.92199	6.6
80.14500	1.2
87.45186	1.4
99.92595	2.2
121.42607	1.6
137.85896	1.5
156.54514	1.4
193.01309	1.7
335.33221	23.2
336.33597	2.8
349.34622	14.0
350.35110	2.2
395.35245	100.0
396.35629	17.2
397.12344	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	440.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96566	0.2
57.82258	0.2
59.01378	6.6
61.98830	100.0
71.07339	0.5
79.95759	0.4
88.38539	0.2
90.88322	0.3
91.83282	0.2
96.96011	8.9
102.14744	0.2
147.18520	0.2
391.70328	0.3
408.51678	0.3
441.25287	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	440.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.6
59.01379	33.0
61.98830	100.0
69.26608	4.7
71.01389	1.2
73.02943	0.5
83.14095	0.5
85.02985	0.5
98.19807	0.8
101.02460	1.1
113.02433	0.8
114.35028	0.5
124.50520	0.5
134.05875	0.6
211.13388	0.6
298.94223	0.5
399.23904	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51851	0.5
55.09709	0.6
59.01377	100.0
60.01729	0.7
61.98833	2.1
63.35664	0.5
69.34303	3.8
69.34707	1.2
90.27882	0.5
98.19927	1.4
99.10251	0.6
240.15927	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.27
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01705	1.0
61.98827	11.4
70.08443	3.9
71.01385	5.4
73.02940	1.5
83.01382	0.9
85.02952	2.0
96.95983	0.8
98.20000	1.2
99.04521	1.5
101.02436	2.3
102.43843	0.7
111.00869	0.9
113.02425	1.0
117.17432	0.8
125.02435	0.8
129.30873	0.8
185.85905	0.8
191.05637	0.9
217.66457	0.9
235.17024	16.2
236.17325	1.2
299.18799	1.0
305.17401	1.0
379.21265	8.5
380.21359	1.6
397.22305	12.7
398.22711	2.3
439.23257	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	439.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.9
59.01379	100.0
61.34379	0.7
61.98544	1.0
61.98829	15.5
69.50953	1.5
69.51345	5.7
71.01367	1.4
73.02965	0.7
96.96016	2.6
99.04499	1.6
101.02438	0.9
101.06068	1.7
102.11878	0.8
108.47064	0.7
166.16293	0.8
184.13298	0.9
189.09341	0.8
195.01250	1.1
197.00793	0.8
211.13306	1.4
231.10168	2.8
397.22659	1.1
407.06921	1.1
439.25549	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	439.174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21659	3.6
59.01366	19.5
66.96136	4.2
69.67307	17.0
71.01384	4.4
79.95728	6.1
96.96006	54.8
120.99631	10.0
191.05670	9.3
403.19641	7.9
439.11353	6.7
439.17184	100.0
440.17465	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	439.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88726	0.3
59.01379	100.0
60.01718	1.1
61.98819	0.4
64.11551	0.3
69.53706	1.7
71.01351	0.3
73.02975	0.3
96.96017	2.1
99.04520	19.4
100.04861	1.1
144.94244	0.3
165.81186	0.3
236.84143	0.3
280.78802	0.3
403.05423	0.3
439.24066	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21770	0.3
59.01378	100.0
60.01715	1.6
61.98830	0.8
69.25359	2.3
76.47558	0.3
96.96004	2.0
99.04517	21.6
100.04859	0.7
122.70804	0.3
196.54024	0.3
207.50883	0.3
286.59409	0.3
439.23843	1.2
447.85605	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15625	0.4
59.01379	100.0
60.01714	1.4
61.98827	10.3
64.32549	0.4
68.27440	0.4
69.56356	1.8
69.56766	1.3
71.01385	1.2
85.02955	0.8
92.23843	0.5
98.19930	0.9
99.04512	1.2
172.19856	0.4
176.41623	0.4
242.38139	0.5
340.99460	0.4
355.23303	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	9.2
61.98822	7.2
70.19922	2.5
73.02921	3.3
82.10923	2.9
85.02951	3.9
89.02440	3.2
98.19881	7.7
105.68140	3.2
126.27159	3.0
150.30396	2.9
160.84131	4.4
161.04608	14.6
162.83946	6.6
164.22385	2.9
245.71375	2.8
250.14125	3.0
277.21710	100.0
278.22052	9.1
371.78613	3.2
410.05399	3.6
440.05362	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	439.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47475	0.3
59.01377	1.7
61.98822	1.4
71.53224	0.6
73.02963	0.4
78.95877	0.5
79.76516	0.4
79.95737	23.2
80.96505	0.6
83.97333	0.3
85.02947	0.4
93.03455	0.4
95.95201	0.8
96.96011	100.0
109.02956	1.7
110.97565	1.4
120.99660	3.2
122.03770	0.4
122.97590	0.8
136.01637	1.3
136.07689	0.6
141.95818	2.0
146.03664	0.8
149.02457	0.4
151.04012	0.8
161.02388	0.6
162.03189	0.6
164.04764	0.5
167.00215	0.8
175.05730	0.3
179.03510	1.5
179.07108	0.5
189.09225	0.8
191.05655	1.2
203.06976	0.4
217.08690	2.0
255.11162	0.4
258.99130	0.5
273.12415	0.5
313.10919	0.4
317.11459	1.2
333.08954	0.6
344.12445	0.7
359.11456	1.2
359.15305	0.5
364.64139	0.4
421.15305	0.4
424.08197	0.9
439.10742	48.4
440.11121	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	439.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
70.33038	0.8
70.33381	0.3
72.37589	0.3
79.95737	53.5
80.02238	0.4
80.96519	0.8
81.58958	0.3
95.95232	13.7
96.96011	100.0
97.95932	0.5
108.02208	0.5
108.70657	0.3
109.96801	0.4
110.97582	5.8
123.04523	0.6
128.33020	0.3
137.02478	2.0
141.95769	1.7
149.99904	1.6
159.04579	0.5
160.05276	0.5
163.03966	0.7
164.98589	0.4
175.07590	0.6
177.05583	0.7
178.06383	0.6
183.57062	0.3
233.97423	0.3
235.99631	0.3
251.14252	0.3
259.02768	2.3
273.04443	0.6
301.03864	0.6
315.05386	1.1
329.13956	1.0
371.43478	0.3
385.60260	0.3
395.07703	0.3
424.08350	3.3
425.08572	0.4
439.10654	87.6
440.10999	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	439.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	24.9
60.99324	6.0
61.98838	35.4
71.01379	19.2
71.51083	6.7
72.97535	6.3
75.00873	6.7
78.95895	16.7
79.95757	10.0
87.00880	7.9
89.02425	18.4
91.42931	6.0
93.03463	6.0
96.96015	100.0
96.96963	16.4
98.95580	33.9
98.96455	8.5
99.92581	20.6
101.02454	10.7
115.92058	19.5
116.92838	11.2
118.98100	10.2
119.03531	7.4
133.02945	10.9
135.04578	7.7
137.02515	6.2
149.02423	7.8
150.03217	19.4
161.04559	9.2
165.01952	18.2
165.05566	28.3
177.01959	45.3
180.04230	15.3
180.19594	6.1
191.05612	19.4
195.06517	35.4
238.95340	7.3
260.94882	7.0
271.86636	6.5
277.96063	24.2
307.13901	9.0
339.07248	7.2
439.08914	13.2
439.17139	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	439.087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
58.00583	1.9
59.01378	69.8
70.25345	2.5
70.25740	2.4
71.01379	58.2
72.99310	7.2
73.02958	2.2
77.56611	1.3
78.36789	1.2
78.95899	16.2
83.01389	3.4
85.02948	5.9
87.00890	5.1
89.02442	76.4
90.02787	1.4
95.01388	2.9
96.96015	86.5
96.96971	42.5
99.00912	1.3
101.02443	28.7
110.19006	1.3
111.00960	1.4
113.02451	22.4
115.00370	1.6
119.03498	23.0
131.03493	3.3
133.01431	1.2
142.93466	1.2
143.03522	6.7
145.01376	1.4
149.04552	6.3
152.95984	1.6
161.04507	8.6
179.05611	33.3
191.05644	1.8
198.89746	1.9
280.87982	1.3
334.47302	1.3
340.86493	2.7
341.10870	100.0
342.11188	10.2
464.35339	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	439.087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
58.00583	1.9
59.01378	69.8
70.25345	2.5
70.25740	2.4
71.01379	58.2
72.99310	7.2
73.02958	2.2
77.56611	1.3
78.36789	1.2
78.95899	16.2
83.01389	3.4
85.02948	5.9
87.00890	5.1
89.02442	76.4
90.02787	1.4
95.01388	2.9
96.96015	86.5
96.96971	42.5
99.00912	1.3
101.02443	28.7
110.19006	1.3
111.00960	1.4
113.02451	22.4
115.00370	1.6
119.03498	23.0
131.03493	3.3
133.01431	1.2
142.93466	1.2
143.03522	6.7
145.01376	1.4
149.04552	6.3
152.95984	1.6
161.04507	8.6
179.05611	33.3
191.05644	1.8
198.89746	1.9
280.87982	1.3
334.47302	1.3
340.86493	2.7
341.10870	100.0
342.11188	10.2
464.35339	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	439.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92506	0.2
59.01377	2.0
61.98835	1.3
64.97015	0.5
66.01556	0.2
70.20026	0.5
70.20388	0.5
71.01375	0.3
72.97520	0.8
74.85746	0.2
77.03967	0.3
79.95736	5.8
80.96517	0.8
81.03443	0.5
93.03455	0.6
95.01387	0.4
95.05093	0.2
95.95226	0.4
96.79654	0.3
96.96011	100.0
98.95574	0.4
105.03439	0.4
107.05006	0.3
108.02188	0.5
109.02957	5.7
110.03288	0.3
111.88483	0.3
117.03471	2.0
118.98096	0.2
120.99641	0.5
121.02937	0.7
122.97582	3.2
123.00848	0.3
123.04531	0.9
124.01659	0.7
125.02412	0.3
131.51079	0.3
132.33061	0.2
133.02963	2.4
134.97693	0.2
135.04561	0.7
136.01666	3.9
137.02399	0.9
139.94838	0.3
146.03746	2.5
149.02423	1.2
150.03206	0.3
151.04016	1.9
160.01614	0.3
161.02457	1.2
161.06047	0.7
162.03201	1.4
163.03941	1.2
164.04771	1.6
179.03505	5.9
179.07138	2.3
180.04001	0.4
191.05621	0.7
198.77919	0.2
205.13347	0.3
230.99771	0.3
258.99149	2.2
259.99600	0.3
277.10800	0.3
329.10266	0.7
359.11325	8.1
360.11679	0.8
360.34451	0.3
365.49149	0.3
439.06641	3.4
439.10901	4.0
440.11609	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3269
Annotation	Mimosaside A
Peak:m/z	Relative Intensity
53.57386	0.3
54.69115	0.3
57.03447	36.0
58.03775	0.5
61.98825	1.8
63.02402	0.9
67.01895	1.8
70.84049	0.9
71.01373	0.5
78.95885	0.5
81.03455	53.3
82.03785	1.3
83.01385	4.1
83.04575	0.6
83.05032	8.0
87.35735	0.4
94.78712	0.3
99.04515	7.9
102.89388	0.3
107.01407	1.1
107.05032	1.3
125.02444	100.0
125.06066	4.0
126.02779	2.9
143.03496	0.5
151.04031	0.5
152.99620	0.5
182.17509	0.3
206.00488	0.3
223.03174	0.3
267.26877	1.4
293.28412	3.2
294.29053	0.4
315.44516	0.3
351.36624	0.4
357.63168	0.4
363.52460	0.4
393.33832	0.5
419.31384	0.3
437.32687	43.8
438.33072	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	438.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94017	0.4
59.01376	0.6
61.98830	100.0
69.68784	1.8
74.64982	0.4
78.19429	0.5
78.95911	0.8
89.02415	0.4
96.96020	7.1
96.96982	1.2
105.85155	0.4
241.07199	0.5
342.14294	0.4
346.92682	0.5
411.25485	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
61.98829	100.0
63.81152	0.4
69.73625	1.9
79.66174	0.4
81.21255	0.4
84.34252	0.4
101.41279	0.4
144.16106	0.4
175.23441	0.4
214.56560	0.4
224.06328	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	78.5
60.01701	4.8
61.19272	1.7
61.98830	100.0
69.52126	10.2
69.52551	3.1
71.01402	2.3
73.02911	1.8
85.02908	2.0
89.02399	1.9
96.96027	2.1
99.04512	18.4
100.04822	2.3
101.02446	2.8
156.85606	1.7
193.67868	1.9
194.00383	2.6
309.17224	2.2
397.22232	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.4
59.01379	100.0
60.01707	5.7
61.81663	1.3
61.98830	53.0
71.01382	4.8
71.53211	1.6
73.02943	3.6
84.52695	1.4
89.02447	1.4
91.68707	1.5
96.96024	1.8
97.02976	1.3
99.04517	15.3
100.04827	1.8
101.02424	4.5
101.06133	1.3
123.04518	2.0
124.78587	1.2
134.90364	1.2
161.04597	2.0
161.09650	1.2
203.10658	2.8
204.11102	2.1
231.10236	2.8
232.10623	1.8
233.15392	2.1
247.09877	1.7
248.10071	4.1
275.09235	3.8
308.10544	2.0
375.14536	3.6
393.76791	1.6
397.22162	1.9
399.93924	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	437.2906
Annotation	Arenolide
Peak:m/z	Relative Intensity
57.03202	0.9
57.03453	12.4
59.01374	5.5
60.10011	0.7
61.98814	2.1
70.11450	2.6
81.03455	58.5
82.03764	1.0
83.01391	3.0
96.95979	1.0
99.04504	1.2
125.02443	100.0
126.02771	3.1
201.11380	1.1
203.10884	0.8
291.26926	7.5
292.27237	0.8
311.25912	21.9
312.26254	2.1
317.24854	0.8
333.27988	2.8
335.26035	1.2
351.29041	4.4
357.27881	2.2
375.28967	7.1
376.29462	1.6
393.30106	4.2
419.27985	20.3
420.28348	3.4
437.15179	0.7
437.28934	13.6
438.29471	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	437.3269
Annotation	Mimosaside A
Peak:m/z	Relative Intensity
53.35283	0.3
53.74244	0.3
57.03446	22.3
59.01383	1.2
61.98828	0.6
64.95875	0.3
69.33004	3.2
79.41994	0.4
81.03453	67.2
82.03793	1.4
83.01379	8.7
86.29045	0.3
94.82623	0.3
125.02443	52.9
126.02778	1.2
128.93817	0.3
311.29596	1.2
319.83838	0.4
322.79745	0.4
335.29306	0.4
347.42569	0.4
351.32614	1.1
375.32620	0.7
379.28430	0.8
393.33728	1.4
395.31516	0.8
437.32684	100.0
438.33029	16.1
448.75595	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	8.4
59.01379	21.0
61.98821	2.9
69.67810	0.6
71.05009	0.7
71.52918	0.9
71.53361	0.9
81.03452	3.9
83.01360	1.1
99.04555	0.8
102.42771	0.6
104.36674	0.7
115.75346	0.7
125.02452	1.9
152.99582	1.0
174.65913	0.7
176.37881	0.7
247.09573	0.8
321.31494	1.0
331.30099	1.0
333.31668	3.2
349.31177	1.6
351.32718	6.3
353.30606	2.8
361.31137	0.9
375.32458	1.0
393.33719	25.4
394.34085	3.2
437.32690	100.0
438.32968	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	437.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98828	10.7
69.37798	2.6
69.38222	4.4
79.30335	0.9
91.14418	0.9
95.05037	1.0
96.96003	1.9
98.19931	1.5
99.04491	6.4
109.02950	1.0
109.48814	0.9
120.54144	0.9
139.02200	1.1
161.02399	3.5
163.03964	2.1
165.00110	1.4
176.64467	1.0
177.05531	1.5
179.01733	1.1
179.98872	12.2
180.99194	1.7
192.99643	3.2
194.00432	4.6
195.01204	17.2
196.01434	1.6
197.68112	0.9
203.10712	2.0
207.01160	2.1
209.02852	4.4
210.03540	9.7
222.03545	3.3
223.04305	1.3
247.09795	2.2
249.05783	1.4
263.86713	1.0
267.30676	1.0
307.10062	12.2
308.10223	1.1
419.24274	4.0
437.24673	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03448	1.3
58.00581	2.2
59.01377	100.0
60.01699	1.1
61.98830	5.6
67.12494	0.7
69.03462	0.8
69.15160	7.1
71.01380	40.9
72.99319	1.3
73.02943	52.8
74.03287	0.7
75.00873	1.0
83.01383	14.6
85.02950	6.0
87.00872	2.0
87.04513	1.2
89.02447	11.7
95.01402	1.5
96.96013	2.4
97.02940	1.1
99.00864	1.2
99.04522	3.7
101.02439	45.4
102.02800	1.6
106.53468	0.7
113.02444	13.1
119.03515	4.1
125.02408	1.2
131.03468	3.0
133.06644	1.4
143.03499	2.9
149.04552	2.1
155.03484	1.6
161.04547	6.7
169.19992	0.6
178.98112	1.0
179.98880	2.4
194.00426	2.9
195.01228	3.3
209.02740	3.1
210.03497	2.1
215.14394	14.8
215.16446	0.8
216.14769	1.1
233.15379	3.9
247.09743	0.9
307.09952	4.4
368.39380	0.8
377.19577	9.0
378.20105	1.2
395.20682	14.8
395.25467	1.0
396.21204	2.7
417.51996	0.7
437.21729	15.4
438.22339	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	437.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31531	1.3
59.01376	100.0
61.98832	15.4
62.48328	1.6
68.04006	1.4
71.52982	1.8
85.73704	1.8
87.04518	2.2
96.96017	2.5
99.04523	13.2
105.03436	2.6
105.11671	1.3
116.51981	1.9
118.06744	1.7
122.10190	1.4
124.35152	1.6
134.02229	1.6
139.02246	2.7
161.02422	6.6
163.03937	2.1
178.98103	2.9
179.98871	21.0
192.99565	3.2
194.00414	17.6
195.01225	26.7
203.10829	1.9
209.02739	19.0
210.03503	12.5
223.04283	4.4
235.04295	2.1
277.05368	1.9
307.10062	27.3
308.10281	1.7
374.21054	2.1
419.24323	2.0
437.23984	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	437.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.0
59.01380	100.0
61.98818	2.5
62.30864	0.7
66.94217	0.8
66.97320	0.8
70.42472	2.8
70.56710	0.8
77.26331	0.7
90.21207	0.8
91.28758	0.8
96.96007	1.1
99.04522	19.7
110.99434	0.8
113.29082	0.8
118.51085	0.7
133.06578	1.2
145.06607	0.9
161.09714	2.6
203.10851	7.7
233.10950	0.8
247.09760	10.1
296.47504	0.9
437.23141	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	437.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69286	4.2
59.01381	100.0
61.98829	73.6
67.89860	3.8
70.04492	14.4
71.01382	6.7
73.02937	9.8
96.96004	8.4
97.06586	95.9
99.04524	9.6
101.02457	6.1
101.06122	3.9
115.92081	43.9
124.01671	17.2
139.04047	21.7
145.03003	5.7
160.61275	4.0
161.02406	4.7
162.03232	16.9
163.03990	18.0
177.05563	52.6
178.06314	15.7
209.02805	6.4
209.11853	4.9
217.08728	4.5
231.10268	11.3
249.93353	4.7
260.10428	12.3
275.12854	82.3
276.13147	11.2
318.13864	4.7
437.14456	8.8
451.32095	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	437.2179
Annotation	CHEBI:67657
Peak:m/z	Relative Intensity
55.01887	1.3
55.51112	0.5
57.03442	0.8
58.00606	1.4
59.01379	100.0
60.01715	0.7
61.49795	0.6
61.98827	5.2
69.03458	1.7
69.52760	2.6
71.01381	31.1
72.01736	0.7
72.99329	1.5
73.02946	47.6
73.69470	0.5
74.03281	0.8
75.00874	0.7
83.01388	12.8
85.02947	4.7
87.00887	1.7
89.02444	9.8
90.57094	0.5
95.01417	1.4
96.96030	1.4
97.02978	0.9
98.19932	0.6
99.00912	0.7
99.04517	6.0
101.02440	38.9
105.41684	0.5
113.02449	12.7
113.83053	0.6
119.03509	4.3
124.01636	0.5
124.49820	0.5
125.02459	1.7
131.03490	3.0
133.06593	1.6
143.03503	2.2
149.04532	1.6
155.03488	1.1
161.02557	0.8
161.04544	5.5
179.05602	1.3
179.98898	1.4
194.00470	2.0
195.01225	1.7
199.76041	0.5
203.10840	2.2
209.02814	1.6
210.03571	1.1
215.14398	13.5
216.14796	0.8
231.10281	2.0
233.15392	3.1
247.09756	2.0
261.05225	0.6
293.90744	0.6
307.10034	2.9
377.19690	6.7
378.20215	0.9
395.20670	14.0
396.21335	1.9
400.46304	0.6
437.16061	1.2
437.21802	12.8
438.22382	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80236	0.3
59.01378	11.8
71.01379	1.0
73.02970	0.5
78.95897	1.1
85.02949	1.5
96.96004	0.9
97.56928	0.4
99.04472	1.0
101.02441	0.9
107.05024	0.7
109.02946	1.3
111.05705	0.4
119.08698	0.5
121.06564	0.7
122.03737	7.2
127.92966	0.4
134.03738	5.4
135.04517	12.2
136.05370	2.2
148.05307	10.9
149.06078	36.5
150.06870	16.5
151.07600	1.5
152.99588	1.5
155.10777	0.5
161.04539	0.6
162.06886	2.3
163.07631	4.5
164.04797	3.0
164.07942	0.7
173.09737	0.5
175.07625	1.4
179.10744	0.6
179.98799	0.7
181.12318	1.7
194.00493	0.5
195.01169	2.1
203.14436	0.7
205.12376	1.5
209.02768	0.7
209.11810	7.2
210.03517	1.6
217.12344	0.7
218.13127	7.6
219.13875	3.8
228.09764	0.4
231.13818	0.6
232.14671	100.0
233.15408	63.4
234.15805	5.1
237.14937	1.3
247.09668	0.4
247.13342	4.8
248.13562	0.6
257.15375	0.5
265.14417	2.4
274.61609	0.4
275.16489	1.7
276.17252	0.4
307.10019	0.9
377.19794	1.1
395.20901	1.1
430.71884	0.4
437.15759	2.5
437.21802	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01379	100.0
60.01708	1.7
61.01826	0.9
61.98845	0.9
68.61471	0.7
69.48094	1.2
69.48497	4.0
84.41059	0.6
86.17694	0.7
96.96024	0.8
97.02958	0.7
98.20634	1.1
99.04517	19.0
100.04857	0.6
104.16405	0.6
105.07110	1.2
121.06563	0.6
133.06493	0.8
141.95013	0.6
145.06519	1.5
161.06172	0.7
161.09802	2.9
163.07640	1.1
185.09680	1.7
188.08385	0.8
191.05464	0.6
202.39709	0.6
203.10764	10.3
205.08730	0.8
229.08760	1.1
247.09729	11.7
248.10233	1.2
277.10941	1.4
319.22922	1.5
351.05481	0.7
437.18365	0.8
437.23825	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32302	0.4
56.84171	0.6
57.03447	1.7
59.01378	100.0
60.01713	1.6
61.98838	2.5
69.51942	3.4
70.02003	0.4
96.96013	1.4
97.02942	0.8
99.04519	19.5
101.49424	0.5
105.07092	1.2
121.06633	0.7
133.06580	0.9
145.06584	1.0
149.06096	1.0
159.08157	0.9
161.06093	1.0
161.09708	2.8
163.07700	0.7
185.09798	1.3
198.23210	0.5
201.09175	0.5
203.10770	8.6
204.11235	0.6
231.10278	1.3
247.09740	10.2
248.10190	0.9
248.14478	0.5
269.84979	0.5
277.10974	0.7
293.17459	0.5
299.23141	0.5
319.22742	1.3
437.23535	1.4
438.12088	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42612	0.5
56.04704	0.5
59.01378	100.0
60.01702	1.2
61.98830	4.0
70.84069	1.1
70.84436	0.9
71.01387	1.0
73.02946	1.1
73.36602	0.5
85.02922	0.6
99.04517	43.0
100.04852	0.9
101.02444	1.2
113.02474	0.9
141.05634	0.6
146.50581	0.5
194.00505	1.1
195.01239	1.4
209.02757	1.3
307.10025	1.1
353.07635	0.5
428.66107	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69157	1.0
53.69424	0.9
59.01380	58.3
61.39906	0.9
61.98829	3.2
65.21075	1.1
69.96218	3.3
69.96623	2.1
71.04982	0.9
71.43002	1.0
72.76174	1.0
75.50433	1.0
80.96498	1.1
96.13136	0.9
96.96004	2.5
98.20618	2.1
99.04519	100.0
100.04868	3.5
115.03987	2.5
118.94412	1.0
145.84035	1.2
161.06094	2.9
162.87343	1.1
179.98889	2.6
191.07193	1.7
194.00395	2.9
195.01242	4.9
209.02710	3.3
210.03494	2.2
233.11850	1.4
240.68810	1.2
307.09982	4.2
307.31757	1.1
354.09128	1.3
437.08997	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32010	0.5
57.03443	1.3
59.01379	100.0
60.01705	1.1
65.75426	0.5
69.64607	2.3
78.53584	0.5
79.95706	0.6
80.29320	0.5
96.96027	1.5
97.02978	0.7
97.06619	0.9
98.19968	0.9
99.04518	26.0
100.04900	1.0
105.07120	1.0
105.53154	0.5
121.40986	0.7
123.04540	0.8
133.06584	0.9
135.04590	0.7
145.06639	0.5
146.10597	0.5
149.06120	1.4
150.06807	0.7
157.42053	0.5
159.88997	0.6
161.09737	1.4
163.07640	0.7
177.05605	1.3
185.09747	0.7
203.10794	8.0
204.11040	0.8
205.08826	0.7
209.02792	1.2
209.11909	1.5
215.10730	1.0
229.08777	0.6
232.14684	3.7
233.15565	2.1
247.09718	10.7
247.12030	0.6
248.10220	1.4
259.09836	1.7
275.12903	0.6
277.10944	1.4
295.12122	0.5
307.10190	1.2
437.22516	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01714	1.0
69.40276	4.8
96.96019	2.2
97.06574	0.9
99.04517	11.8
117.65632	0.7
154.49509	0.7
162.78874	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.4
59.01378	100.0
60.01686	1.7
61.98810	3.7
70.33825	3.4
71.01379	2.3
73.02960	1.5
75.00852	1.3
79.22025	0.9
87.04512	3.8
96.95988	2.0
99.04516	18.8
100.04826	1.2
101.02431	2.1
109.58039	1.0
113.48098	1.1
117.79963	0.9
121.02924	2.6
122.99226	1.1
141.82709	1.2
161.09615	2.3
179.98863	1.3
194.00383	2.5
194.51685	1.0
195.01186	3.2
203.10823	7.3
209.02733	4.7
210.03474	1.6
221.36360	1.1
231.10080	1.6
233.15334	1.5
247.09787	7.6
277.10602	1.8
307.10046	4.6
308.48065	0.9
395.20728	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	437.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.0
59.01380	2.2
69.03455	1.8
71.01391	1.1
73.02961	0.6
81.03450	1.0
83.05025	9.6
89.02439	0.7
96.95986	2.9
97.69152	0.5
98.20669	1.3
101.02409	0.7
109.06609	2.0
111.08159	85.5
112.08480	3.5
128.60164	0.5
129.09196	3.5
131.03458	0.8
140.98273	0.7
149.04579	1.8
154.99821	0.6
173.00905	1.5
173.08180	100.0
174.08521	4.9
177.05603	0.4
197.33990	0.5
227.49394	0.4
260.62579	0.5
305.12421	27.1
306.12814	2.9
347.13657	0.5
348.54901	0.6
401.50537	0.5
430.44897	0.5
437.16626	37.5
438.16943	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	437.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.8
57.46595	0.4
59.01377	100.0
60.01706	1.4
69.79900	2.4
70.37541	0.3
83.62219	0.4
97.02963	0.8
97.06594	0.5
99.04520	17.9
105.07106	0.7
117.49933	0.4
121.06590	0.7
123.04520	0.7
133.06625	0.8
145.06619	1.2
159.08089	0.4
161.09723	1.9
163.07657	1.1
175.99017	0.4
185.09708	1.3
187.07756	0.8
203.10765	9.9
204.11099	0.8
215.10771	0.5
247.09743	10.1
248.10175	0.8
277.10925	1.4
435.54837	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56066	6.5
59.01377	14.9
62.59409	5.9
63.00900	6.9
69.77899	45.9
76.00249	6.9
96.96017	65.7
98.20041	11.6
99.74396	7.7
111.08131	8.4
133.76555	7.3
138.63046	8.4
138.97084	13.8
146.03445	7.5
168.98149	16.9
180.04227	15.9
195.06526	14.1
212.47906	7.9
213.09393	7.6
257.08337	7.2
382.63675	9.6
437.07492	19.1
437.15918	100.0
438.16037	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	437.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70540	0.9
57.03449	21.6
59.01381	8.0
61.98823	3.4
69.03439	1.7
71.01379	3.3
71.51939	0.9
73.02926	1.5
74.21867	0.8
78.95907	5.7
79.71579	0.9
79.95752	4.3
80.96509	2.9
83.05022	1.5
85.02949	0.9
89.02450	2.0
96.96011	40.2
96.96967	19.1
99.04527	0.9
101.02417	1.5
108.04491	1.3
109.06635	4.0
111.08132	1.3
113.02412	0.9
119.03450	1.2
119.05031	1.2
123.08160	18.1
125.09736	3.5
133.72476	0.8
135.08160	4.2
138.97083	9.4
150.97081	4.2
151.11270	5.0
161.02419	1.7
167.03549	1.5
168.98112	13.0
173.08157	1.7
177.12845	1.4
179.10767	0.9
180.04269	20.7
180.99092	4.1
191.05663	2.6
195.06610	19.6
195.13890	53.9
196.07047	1.8
196.14204	3.5
197.02145	1.2
212.08333	1.6
223.16257	0.9
229.07492	1.2
235.06104	1.0
239.12881	100.0
240.13216	8.1
241.00226	1.4
241.07285	0.9
255.08914	2.4
258.07663	1.8
260.24100	1.0
276.08743	3.8
305.15979	1.0
357.11688	1.9
398.37650	0.9
405.08194	2.8
437.06525	16.1
437.11899	4.4
437.20483	1.9
438.07809	1.7
448.39679	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52624	1.7
59.01381	100.0
60.01702	1.7
61.98827	20.0
71.01374	6.5
71.53146	1.5
79.95727	2.1
96.95990	6.9
97.06570	2.8
99.04520	15.3
101.02441	2.2
105.03439	3.0
135.04509	3.8
139.02200	6.5
145.02997	1.9
151.02231	3.2
160.72708	1.7
161.02428	15.8
161.65642	1.5
162.03148	4.0
163.03957	8.0
165.00040	4.7
177.00128	4.0
177.05585	9.2
178.06389	4.5
178.98041	5.1
179.01706	4.9
179.21327	1.6
179.98869	64.2
180.02296	2.2
180.99220	4.7
191.07027	2.1
192.99602	13.6
194.00423	36.2
195.01199	90.9
196.01593	5.1
203.10757	5.3
207.01253	13.6
208.01926	5.6
209.02760	36.3
210.03548	57.6
211.04024	3.4
217.08646	2.9
222.03510	10.9
223.04300	5.8
235.04373	2.3
247.09721	5.4
249.05820	8.1
259.09637	1.9
263.07382	6.7
264.08118	3.1
265.12692	6.6
275.12741	2.0
278.09738	7.2
279.10776	1.8
292.07651	5.8
307.10077	67.9
308.10440	5.8
347.11389	1.8
379.19434	1.8
437.12714	3.8
437.23236	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	437.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	26.9
60.49605	2.0
61.98827	13.1
69.37255	12.8
69.37671	4.2
71.01378	6.5
72.99283	2.2
73.02923	3.7
74.02473	2.7
80.96507	2.2
85.02962	3.1
87.00871	2.8
89.02441	6.6
96.96011	100.0
99.04498	2.9
101.02464	4.2
113.02437	2.4
114.67072	2.9
137.02440	3.6
138.97066	3.5
143.04591	3.1
168.98155	2.9
173.08243	3.4
175.53983	1.9
177.01918	4.5
179.05630	2.3
180.04314	9.6
189.21208	1.9
191.05562	9.5
195.06651	15.0
222.89015	2.3
223.23735	2.0
232.97781	2.4
247.96269	3.4
264.78027	2.6
274.98648	6.7
307.04190	2.0
307.07986	4.8
437.07431	10.8
437.15900	24.8
438.16119	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	437.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.1
67.56322	0.2
69.44652	1.4
79.95733	6.9
89.59415	0.2
96.96009	100.0
97.95925	0.3
110.97583	0.7
121.02918	0.3
122.97406	0.2
123.04580	0.2
137.02458	0.7
175.03938	0.3
190.06332	0.3
213.05626	0.2
225.05757	0.2
241.53717	0.2
247.37198	0.2
261.05313	0.3
269.08356	0.3
279.06534	0.4
297.07687	1.5
312.09918	0.8
327.12210	0.4
386.09909	0.2
437.09094	29.6
438.09415	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	437.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
62.89816	0.2
67.76370	0.2
69.48761	1.4
79.95738	7.4
96.96011	100.0
97.95929	0.3
110.97562	0.7
117.09061	0.2
121.02937	0.3
132.01637	0.2
136.01579	0.2
137.02438	0.7
175.03972	0.4
178.06209	0.3
190.06390	0.3
202.56032	0.2
242.95657	0.2
245.01369	0.2
261.05499	0.2
269.08273	0.5
279.06735	0.5
294.57846	0.2
297.07684	2.1
312.09955	1.1
313.10745	0.3
321.52771	0.2
327.12637	0.2
341.90823	0.2
408.81375	0.2
437.09091	26.9
438.09387	4.4
438.15463	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41499	0.1
57.01735	0.1
59.01381	4.6
61.98826	0.2
71.00694	0.3
71.01382	0.2
72.82119	0.1
79.95737	3.0
80.96505	0.2
96.96008	100.0
97.06542	0.2
97.95947	0.3
99.04524	0.2
99.80402	0.1
101.02419	0.2
102.11554	0.1
110.97576	0.3
120.02174	0.1
122.43226	0.1
135.04498	0.2
136.01662	0.3
137.02451	0.2
151.03954	0.4
173.04562	0.2
177.05568	0.3
179.92252	0.1
191.05635	0.3
203.07147	0.2
203.10672	0.2
205.05186	0.2
209.11842	0.2
222.99039	0.1
233.04527	0.4
247.09660	0.2
297.07538	0.3
374.94925	0.2
437.09113	10.8
438.09454	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	436.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.7
61.98829	100.0
71.01363	2.4
71.22147	1.6
78.53895	0.9
89.02438	1.5
96.96026	2.6
99.04533	1.1
101.02451	1.0
113.02489	0.9
128.03542	0.9
133.82904	0.9
143.04555	1.6
163.04039	0.9
178.02693	1.4
180.04308	1.0
193.05087	5.5
195.06593	1.0
306.07672	1.9
382.71237	1.0
385.13437	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75475	1.2
59.01370	2.9
61.98832	100.0
70.78584	3.3
70.92094	1.2
71.01377	2.9
77.91509	1.3
96.96002	4.8
99.10644	1.4
144.77350	1.6
144.78604	1.4
145.59821	1.5
305.96127	1.6
343.06378	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38695	0.4
58.47770	0.4
59.01379	5.0
61.98822	1.7
69.03397	0.4
69.68842	0.7
69.69242	1.5
70.08253	0.5
71.01370	2.2
75.00848	0.5
79.95729	2.9
85.02969	0.8
87.00877	0.6
89.02455	1.2
93.03516	0.6
96.96013	100.0
98.20673	0.4
101.02437	1.4
111.08147	0.5
113.02435	0.7
119.03515	0.6
128.03531	0.8
133.02986	0.6
135.58835	0.4
137.02383	0.7
138.97098	0.7
143.04657	0.7
161.04491	0.6
168.98122	1.1
173.08165	0.7
177.01904	4.0
180.00665	0.5
180.04248	1.3
191.04031	0.5
191.05527	2.1
195.06534	2.7
232.97655	4.0
247.96425	1.7
247.99071	0.4
274.98782	4.0
305.12137	0.5
307.07867	0.7
357.11655	0.5
358.10251	0.6
375.07101	0.8
377.01807	0.9
437.02951	0.5
437.08191	1.2
437.15552	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	437.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66282	0.4
59.01363	1.1
60.58670	0.5
61.98830	0.8
69.44006	2.8
71.01392	0.6
77.84085	0.4
79.95731	1.0
80.96519	0.8
96.96008	16.8
96.96612	1.0
108.93405	0.5
120.38522	0.4
126.81599	0.4
129.04956	0.4
138.97105	3.4
146.57417	0.4
150.97052	1.1
152.04752	1.4
168.98119	4.6
180.04279	88.0
181.04610	4.5
192.84534	0.4
195.06618	100.0
196.06960	5.3
241.00249	5.5
275.02264	1.0
275.60159	0.4
357.11868	8.6
358.12253	1.1
437.07535	26.3
438.07809	3.5
462.37433	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3114
Annotation	Stolonic acid B
Peak:m/z	Relative Intensity
57.03450	15.0
59.01386	3.7
65.00324	22.0
66.00645	0.7
67.62048	0.3
70.00666	0.6
70.01070	0.7
71.19585	0.3
77.69135	0.3
78.95920	1.2
79.16799	0.3
81.03453	4.9
83.01389	7.0
85.53225	0.3
89.55318	0.3
98.19971	0.5
99.04533	0.5
101.83408	0.3
122.03751	1.3
123.04533	1.3
125.02446	100.0
126.02769	2.8
128.47325	0.3
137.00969	0.3
152.99547	1.8
169.18947	0.3
213.71875	0.4
231.10229	0.7
275.09204	0.4
289.41724	0.3
309.27899	1.5
323.29681	1.6
325.31161	2.8
349.31140	1.6
391.32022	9.6
392.32584	1.3
393.30127	1.1
435.31122	59.4
436.31491	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	435.3111
Annotation	Stolonic acid B
Peak:m/z	Relative Intensity
50.13996	1.3
57.03450	23.6
65.00314	9.1
66.88264	1.4
69.43467	7.7
69.43874	3.4
81.03461	25.2
83.01385	12.4
85.02950	3.0
96.95992	1.4
99.10238	1.4
105.50826	1.3
107.05008	1.9
109.02933	4.4
123.04503	5.4
123.08201	8.3
125.02445	100.0
125.06049	5.5
126.02770	2.0
153.01860	3.2
167.03456	2.4
167.07091	3.5
265.04593	1.4
307.29956	8.5
309.27997	13.4
333.28009	1.7
335.77213	1.6
349.31076	1.9
373.34763	1.9
391.32086	5.5
435.31073	35.6
436.31296	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	435.187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71788	1.0
55.01867	4.2
55.89566	1.0
56.83944	1.1
57.03450	2.4
59.01379	40.6
60.01696	1.0
61.01826	1.2
61.98833	1.1
69.03448	1.6
71.01384	8.3
71.05014	3.1
73.02944	14.7
76.08987	1.0
83.05027	15.7
85.02951	7.5
85.06593	5.6
87.00871	1.1
89.02442	6.5
95.01402	1.1
96.96022	2.7
99.00880	55.0
99.92526	1.0
100.01221	1.6
101.02448	10.3
113.02440	3.1
115.07656	3.6
116.92873	6.3
116.93577	1.2
117.01936	2.1
119.03508	2.2
123.08170	2.5
125.06121	1.2
131.03448	1.3
139.07649	3.7
139.11298	8.5
141.09235	2.8
149.04550	2.0
157.08664	1.8
159.10262	100.0
160.10585	4.0
181.12338	3.8
183.10226	8.8
191.05553	3.7
199.13399	2.4
203.12843	6.8
211.17049	1.2
225.11308	1.6
240.68404	1.1
243.12357	34.3
244.12715	1.6
255.16026	4.3
285.13495	3.6
303.14539	5.8
345.15598	5.4
346.16132	1.2
385.27939	1.0
435.12860	2.0
435.18552	10.1
435.22809	5.5
436.18542	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	435.3116
Annotation	Stolonic acid B
Peak:m/z	Relative Intensity
57.03460	4.6
59.01385	4.1
70.57899	1.8
78.95905	4.1
83.01385	7.8
96.96062	0.8
125.02462	1.2
135.76814	0.7
136.81990	0.7
152.99583	5.0
153.31908	0.7
171.00679	0.7
301.21564	1.2
307.30054	18.2
308.30399	2.9
321.28046	2.7
331.30118	2.8
333.27985	2.8
347.33099	4.2
349.31082	40.2
350.31500	5.2
363.32568	1.2
367.32190	7.3
368.32739	1.4
373.31198	3.3
391.32159	58.5
392.32449	10.0
398.66751	0.7
435.31128	100.0
436.31491	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	435.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.9
57.03450	3.1
59.01379	39.5
60.01729	1.2
61.98799	0.8
69.03429	0.9
69.33691	5.9
69.71163	0.8
71.01379	8.8
71.05014	2.1
73.02946	13.9
83.01415	0.7
83.05022	15.8
85.02946	7.9
85.06581	5.7
86.06873	0.9
87.00847	1.5
89.02445	5.6
93.03416	0.9
95.05032	1.1
96.96033	2.0
97.06625	1.0
99.00881	52.2
100.01266	1.1
101.02438	12.0
102.63213	0.8
102.98631	0.8
106.56307	0.8
108.81320	0.8
113.02449	3.0
113.06110	0.9
115.07655	3.5
115.92062	1.4
116.92843	4.1
117.01939	2.4
119.03475	1.5
123.08171	3.1
127.07693	0.9
131.03452	1.3
139.07658	4.3
139.11270	6.9
141.09232	3.1
149.04539	3.1
157.08730	0.8
159.10262	100.0
160.10603	3.6
181.12350	3.1
183.10278	8.2
183.63483	0.7
191.05618	3.8
199.13374	2.2
203.12866	6.2
211.17039	1.1
225.11345	2.7
243.12360	32.3
244.12683	3.5
255.16029	3.5
259.12000	0.9
285.13470	4.3
287.14978	1.1
303.14459	5.2
303.17554	1.1
345.15564	5.4
435.12430	1.7
435.18579	10.2
435.22900	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	435.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01708	1.3
60.75552	0.7
67.01881	1.0
69.42853	2.5
69.43280	2.3
71.01389	0.8
72.99310	0.8
79.95761	1.8
84.60126	0.7
87.04522	0.9
96.96010	22.5
99.04519	14.8
101.02427	0.7
133.06531	0.6
135.04483	0.7
139.28725	0.7
143.04971	0.9
157.06554	1.2
159.08134	2.1
161.06084	1.6
167.44699	0.7
171.08195	1.2
173.06082	0.9
175.07574	0.8
177.05576	1.0
183.08195	1.4
186.06819	0.7
187.07626	0.7
198.07016	0.8
201.09186	5.3
202.09807	0.8
211.07813	0.8
213.09148	4.2
215.07172	1.4
229.08691	5.2
231.10251	22.9
232.10706	1.9
245.08200	4.7
257.08215	2.6
258.83078	0.7
275.09335	3.1
299.17688	0.8
319.85699	0.6
331.36798	0.6
334.01419	0.7
349.62689	0.7
410.02747	0.7
435.07263	4.6
435.17029	1.0
454.34412	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.8
59.01379	100.0
60.01719	1.7
61.83791	0.6
71.52429	0.8
78.23569	0.6
79.75123	0.7
82.28040	0.6
99.04517	11.7
107.05052	0.8
116.18916	0.6
126.43230	0.7
143.05075	1.1
156.05794	0.7
159.08168	2.3
161.06100	2.5
169.06502	0.8
171.08167	2.1
173.06099	1.0
174.84370	0.8
177.05530	0.8
183.08176	1.2
185.06165	1.1
186.06787	0.8
187.07533	1.1
189.05635	1.4
191.07228	0.7
193.75044	0.7
194.74930	0.7
201.09204	5.5
202.78558	0.7
203.47713	0.7
213.09224	4.1
215.07114	1.3
229.08711	5.7
231.10245	22.3
231.12447	1.4
232.10640	1.0
245.08221	5.0
256.17941	0.7
257.08286	2.9
275.09436	2.3
317.21332	2.5
435.17990	0.7
435.27859	1.3
436.11246	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24251	0.9
57.03446	1.3
57.34190	0.8
59.01379	100.0
60.01699	1.7
61.98797	1.2
69.60255	1.8
69.60687	3.8
85.02951	1.4
96.95973	1.2
99.04522	25.3
100.04881	1.2
121.02121	0.9
136.77011	0.9
145.22087	0.9
159.04538	1.0
159.08070	1.0
165.42595	0.9
166.63699	0.9
171.08186	1.8
172.08568	1.0
173.05995	1.4
175.04091	1.2
189.09285	1.1
191.05576	1.1
198.06902	0.9
201.09129	1.8
213.09235	4.5
214.06190	0.9
229.08687	1.5
231.10254	11.0
245.08228	2.1
257.08173	1.7
275.09241	2.3
290.76147	0.9
328.85464	0.9
406.63107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72373	0.8
59.01377	100.0
60.01724	1.4
63.13830	1.0
69.91508	4.3
83.01398	0.9
99.04514	26.1
112.11237	0.9
129.03128	0.9
133.06631	1.3
148.27722	0.8
161.06100	1.2
163.07584	1.4
171.08163	2.1
173.06062	1.6
185.09718	1.2
186.12923	0.9
187.07631	1.0
189.09239	1.4
203.10600	0.9
213.09213	4.4
231.10307	9.4
232.10544	1.0
247.35336	0.8
257.08243	1.1
351.42770	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01706	1.1
70.82836	1.8
79.95753	2.0
93.03501	0.9
99.04518	11.5
101.03722	0.6
117.57806	0.6
143.05063	1.2
147.24963	0.7
159.08209	2.3
161.06081	1.3
163.04138	0.7
171.08208	2.6
173.06119	0.7
177.05667	0.9
183.08174	1.1
185.06075	0.8
185.09720	0.7
186.06830	0.9
189.05444	0.7
191.07158	1.2
195.08195	0.7
198.06900	1.4
201.09215	5.7
213.09244	4.4
215.07117	1.3
229.08636	5.3
231.10262	23.9
232.10689	1.7
245.08200	6.6
257.08237	2.6
275.09241	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	435.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01707	1.0
66.53404	0.6
69.91130	1.1
69.91520	1.6
99.04519	12.0
99.05095	1.0
133.32751	0.7
143.05057	1.7
157.06543	0.7
159.08282	1.3
161.06065	1.1
167.38000	0.6
171.08163	1.6
173.06133	0.7
183.08084	1.6
185.06128	0.6
187.07603	0.6
191.07155	1.0
198.06914	1.0
201.09219	4.4
211.07594	0.6
213.09216	4.0
215.07176	1.7
229.08691	5.1
230.08931	0.6
231.10242	23.4
232.10789	1.8
232.14874	0.6
245.08147	5.2
257.08255	3.7
275.09113	2.9
410.97171	0.7
435.16263	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16782	0.2
59.01390	0.9
59.01641	0.2
59.61350	0.2
60.76977	0.2
71.00419	0.5
73.46304	0.2
79.95734	5.1
80.96500	0.2
96.96008	100.0
101.16643	0.2
111.23809	0.2
137.02438	0.8
175.03972	0.3
176.04739	0.4
188.04788	0.6
204.04083	0.2
237.05222	0.2
267.06561	0.8
295.06058	1.9
296.06610	0.4
309.07346	0.3
310.08444	1.2
311.09186	0.5
325.10666	0.5
333.18494	0.2
435.07504	21.5
436.07788	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	435.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	72.3
61.98827	46.1
71.01378	17.1
71.51292	9.0
79.95705	6.5
87.00899	9.2
96.95996	15.0
108.02112	5.8
117.40675	5.4
118.77068	4.7
119.03495	4.8
122.83419	5.0
136.99126	5.9
149.02440	28.7
150.03239	41.2
161.02391	7.3
164.04796	19.0
165.05573	100.0
193.23383	5.7
195.06564	29.9
196.59067	5.3
231.10358	7.3
235.18791	5.7
298.14453	5.6
327.10800	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	435.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.3
59.01378	100.0
60.01704	0.9
65.93275	0.6
67.01878	0.8
69.48975	1.8
69.49381	2.6
71.01379	1.5
73.02953	2.0
77.13330	0.6
85.02966	1.7
87.04527	1.9
93.03484	0.8
96.96024	2.8
97.02941	0.7
99.04518	10.5
101.02486	0.8
103.04021	13.6
103.04661	1.2
135.04579	1.2
143.05005	1.0
154.28644	0.8
159.08199	2.1
161.06013	1.3
171.08199	1.4
173.06064	1.0
175.04086	0.8
179.03641	0.7
183.08083	1.1
189.05736	0.8
191.07149	0.8
201.09244	4.4
213.09181	3.5
215.07092	1.0
229.08730	5.0
230.08940	0.8
231.10245	21.1
232.10674	1.8
245.08212	4.2
257.08249	2.5
275.09247	3.6
276.09552	0.9
294.02734	0.7
354.52167	0.6
365.03323	0.7
458.69385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2593
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
59.01367	3.1
60.16890	0.7
69.31985	0.6
69.52863	0.8
69.78020	4.1
71.01385	10.6
77.74487	0.7
81.03461	1.1
85.29345	0.7
87.00881	17.0
87.04519	4.9
89.02443	1.2
99.04559	0.6
133.05063	25.2
136.59853	0.7
158.48798	0.7
164.18758	0.9
297.54865	0.7
299.20160	6.8
299.99042	2.0
300.20682	2.8
300.99850	0.9
301.21475	0.8
317.21201	69.1
318.21524	7.5
343.22778	1.5
371.22238	2.7
389.23251	24.0
390.23700	3.9
414.67230	0.7
433.25867	100.0
434.26257	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	434.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	10.1
58.29122	8.7
59.01379	100.0
61.98817	32.9
69.54597	27.7
69.55007	36.4
70.76892	9.2
71.01376	14.6
89.02431	19.6
94.55668	9.7
96.96002	26.9
98.20634	17.8
111.54713	9.9
118.34612	9.8
118.90220	9.7
148.05292	21.8
149.35083	10.0
167.20634	11.3
172.35919	10.2
179.34338	9.8
221.06905	10.2
236.09276	68.7
267.74225	10.9
273.04214	11.1
281.75534	11.5
286.57126	10.0
294.96585	10.3
383.07278	10.6
434.04446	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	434.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26332	0.8
53.51017	0.8
59.01379	26.0
59.93914	0.7
60.01701	1.7
61.98831	100.0
67.76420	0.8
69.36453	7.1
71.01376	3.3
81.74422	0.7
87.00874	2.2
88.04090	1.2
89.02411	1.8
93.03463	1.1
96.96035	1.1
98.19929	1.5
101.02422	1.8
109.02979	0.8
110.09674	0.9
111.96902	0.8
127.07682	4.3
132.03018	1.9
134.02460	0.9
144.04616	0.9
149.04559	1.5
161.41237	0.9
173.04427	0.9
191.05658	1.6
222.01376	0.9
236.29558	1.0
303.11017	0.8
315.46817	1.0
342.30475	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03449	1.5
58.00592	1.0
59.01380	100.0
60.01718	1.7
61.01815	1.1
61.35793	0.5
68.22565	0.5
71.01381	24.2
72.99310	0.8
73.02949	6.8
80.96512	0.6
82.43479	0.6
83.01400	2.8
83.05027	0.7
85.02950	7.4
87.00880	1.5
87.04519	1.1
89.02445	19.8
95.01406	1.4
97.06580	0.6
99.00909	1.4
99.04588	0.6
101.02446	15.1
109.02966	0.5
109.06507	0.7
113.02447	10.1
113.03160	0.8
119.03500	8.6
119.04951	0.6
125.02467	0.7
131.03539	1.5
141.95274	0.5
143.03529	1.8
149.04591	1.0
151.00374	0.7
159.02965	0.9
159.10300	0.8
161.04556	6.0
161.80092	0.6
165.25940	0.7
179.05666	3.3
183.10384	0.7
191.05615	0.8
209.15396	0.6
229.66849	0.8
248.92148	0.6
253.14482	2.0
271.06241	1.4
271.19272	1.3
272.19647	0.6
301.16696	0.9
321.15973	0.9
331.49973	0.5
363.20590	0.7
389.35590	0.6
391.23517	4.2
392.23553	0.8
433.19806	1.6
433.25275	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	433.2593
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
55.58078	0.5
56.81104	0.6
59.01367	1.6
69.78142	1.8
69.78552	1.1
71.01380	3.6
76.10873	0.5
87.00877	7.6
87.04501	1.5
89.02420	0.8
98.20643	0.8
99.04525	3.7
133.04100	0.9
133.05061	12.2
189.85031	0.5
223.65779	0.6
247.66083	0.5
299.20142	3.2
299.23355	0.8
300.20755	0.9
303.19684	1.8
317.21188	27.3
318.21600	2.9
333.20740	10.0
334.21112	1.0
345.17169	0.8
351.21725	12.0
352.22131	1.6
371.22397	1.4
389.23215	9.4
390.23508	0.9
408.73846	0.5
433.25919	100.0
434.20358	0.8
434.26300	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	433.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.0
57.03449	1.3
58.00594	2.2
59.01380	100.0
59.60780	0.5
60.01712	1.4
69.42722	3.9
71.01383	38.9
72.99309	2.5
73.02950	5.4
83.01414	2.5
85.02948	8.5
87.00890	2.4
87.04517	1.2
89.02446	44.4
90.02792	1.2
95.01357	2.6
95.14359	0.5
98.19911	1.2
99.00890	1.7
99.04487	0.7
101.02442	23.9
102.02782	0.8
113.02451	17.1
119.03498	21.3
120.03861	0.7
125.02457	0.5
131.03532	1.7
143.03459	3.4
149.04597	2.0
149.45195	0.5
155.29665	0.5
161.04570	7.0
179.05621	9.3
179.07132	0.3
191.05629	0.6
232.32985	0.5
251.12558	0.6
271.19229	1.0
331.17578	0.6
373.18552	0.9
391.20117	0.7
433.19858	4.8
433.25214	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.8
57.03447	2.7
58.00592	2.0
59.01378	100.0
59.80822	0.6
60.01700	1.0
69.56952	1.4
69.57358	3.4
71.01381	51.1
72.01723	1.1
72.99299	1.6
73.02941	10.4
75.00874	0.9
83.01399	4.5
85.02951	15.3
86.00092	1.3
87.00887	2.4
87.04530	5.3
89.02447	35.8
94.02617	0.6
95.01386	4.8
97.02962	0.9
99.00892	3.0
101.02443	32.2
113.02451	21.5
119.03496	16.2
127.87910	0.7
131.03508	1.5
143.03485	3.5
149.04552	1.6
159.02997	2.3
159.06599	3.4
161.04552	18.7
163.00725	2.0
179.05623	7.9
183.13870	0.9
271.19159	6.1
319.17563	1.1
345.19284	2.3
372.53802	0.7
415.28162	0.8
433.19592	1.4
433.24451	26.3
434.24750	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	433.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23023	0.4
59.01381	100.0
60.01709	1.2
69.40354	2.9
71.01401	1.1
72.93566	0.4
122.54174	0.4
129.83717	0.4
148.42239	0.5
161.04681	0.9
181.05077	3.0
196.07480	3.0
211.09731	5.8
212.10083	0.7
282.19186	0.5
285.97800	0.5
415.81577	0.5
431.19006	0.5
458.60745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36710	0.4
57.00145	0.5
59.01378	100.0
59.42578	0.4
60.01715	1.5
69.32616	4.2
71.01376	5.0
73.02950	1.9
78.95920	0.5
79.31866	0.4
83.01389	1.3
85.02950	1.7
85.59379	0.5
87.00901	1.1
88.65024	0.5
89.02448	3.8
95.01408	0.5
96.96004	0.5
99.00912	0.8
99.04544	0.5
101.02454	3.6
110.69382	0.5
113.02441	2.8
115.28393	0.4
119.03551	1.6
124.97404	0.5
137.43819	0.4
138.53865	0.4
143.03546	0.5
154.31104	0.4
159.03018	0.4
161.04562	1.1
163.17776	0.4
176.04057	1.2
183.06088	0.8
191.05630	1.0
196.69002	0.5
211.13551	1.1
213.14986	1.2
217.97356	0.5
223.13457	0.9
233.52635	0.4
238.93121	0.5
241.14435	3.8
251.12885	0.7
301.16647	0.7
315.18042	1.1
433.20007	4.2
433.25854	0.7
434.20929	0.5
435.41574	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.0
57.03449	1.3
58.00594	2.2
59.01380	100.0
59.60780	0.5
60.01712	1.4
69.42722	3.9
71.01383	38.9
72.99309	2.5
73.02950	5.4
83.01414	2.5
85.02948	8.5
87.00890	2.4
87.04517	1.2
89.02446	44.4
90.02792	1.2
95.01357	2.6
95.14359	0.5
98.19911	1.2
99.00890	1.7
99.04487	0.7
101.02442	23.9
102.02782	0.8
113.02451	17.1
119.03498	21.3
120.03861	0.7
125.02457	0.5
131.03532	1.7
143.03459	3.4
149.04597	2.0
149.45195	0.5
155.29665	0.5
161.04570	7.0
179.05621	9.3
179.07132	0.3
191.05629	0.6
232.32985	0.5
251.12558	0.6
271.19229	1.0
331.17578	0.6
373.18552	0.9
391.20117	0.7
433.19858	4.8
433.25214	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	432.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33531	0.7
59.01379	100.0
60.01699	3.7
61.98831	51.4
69.03437	0.7
69.19012	3.0
69.19440	4.3
69.26902	0.6
71.01383	6.6
72.99315	0.8
73.02940	4.4
83.01399	1.1
85.02972	2.5
87.00864	1.8
89.02462	3.3
95.95269	1.1
96.96004	1.0
99.00875	0.9
101.02463	5.3
110.62437	0.8
113.02449	3.5
119.03529	1.5
143.03546	0.8
149.04599	1.4
161.04613	2.5
163.00662	1.0
179.05646	2.4
182.58870	0.7
191.05595	1.3
207.13995	2.5
208.14270	1.6
210.12196	1.8
269.13873	1.4
270.14325	2.7
313.16730	0.9
432.19409	8.3
433.19385	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	433.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	52.0
61.71167	1.2
61.98818	1.6
63.27676	1.3
69.43766	2.6
69.44178	7.4
71.01367	4.2
72.99313	2.3
85.02905	1.6
89.02443	1.9
96.96029	7.2
98.47862	1.3
108.02171	7.3
109.02943	3.3
115.00381	2.0
134.91583	5.6
135.04541	11.1
138.97081	3.5
148.01680	24.4
149.06056	1.7
152.01160	1.5
153.05577	25.1
163.04005	38.5
166.02739	2.2
179.03455	1.8
179.08444	1.3
181.05074	42.5
182.05435	2.7
196.03700	3.2
211.06102	100.0
212.06422	7.4
213.13580	1.3
297.09793	1.9
299.99167	1.7
300.99808	2.2
432.98380	10.7
433.03821	2.5
443.44006	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.0
59.01158	0.9
59.01387	10.0
61.62916	0.9
69.03455	10.1
69.15765	1.1
70.26039	4.2
71.01375	1.3
79.05535	2.5
83.01343	1.1
85.02943	2.2
91.05547	7.0
93.03476	1.9
95.05036	4.1
97.02979	1.3
99.04517	100.0
100.04857	3.0
105.07063	1.3
107.05022	8.2
109.02962	1.5
119.05045	1.7
119.08576	1.1
121.06590	1.3
123.04544	5.2
131.08676	1.5
133.06590	1.6
135.04565	2.2
145.06587	1.6
145.10205	4.3
147.04495	1.1
147.08200	1.9
151.03978	1.5
157.06519	1.4
159.04634	1.4
159.08188	2.1
161.06090	2.3
165.05617	1.6
169.10179	5.4
171.08162	3.9
171.11804	1.8
172.08929	1.1
173.06104	3.0
173.09682	2.3
185.09685	3.9
187.11284	33.3
188.11661	1.9
189.09242	1.7
191.05557	2.6
197.08109	1.2
197.09744	4.6
199.11261	6.2
213.09235	3.4
215.10712	12.3
216.11105	1.3
229.12292	4.0
231.10251	28.1
232.10481	2.4
241.08694	1.3
243.10178	4.6
245.11821	2.4
247.13147	1.3
259.09711	11.9
261.11218	1.7
275.09201	2.0
277.10800	2.3
303.08722	35.5
303.12085	2.3
304.09042	2.8
315.08701	3.7
333.09744	8.1
391.17856	1.5
408.44748	1.0
433.14999	6.8
433.26312	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2435
Annotation	Triflorestevione
Peak:m/z	Relative Intensity
50.25285	0.5
55.01841	0.5
59.01378	6.8
59.38025	0.5
61.98825	0.7
69.03457	3.9
69.46441	0.5
70.53023	0.9
70.53368	0.9
71.01373	1.9
71.05022	0.9
73.02941	2.2
85.02959	1.7
86.27138	0.5
87.00871	0.9
87.04482	0.6
96.96017	0.6
99.04494	1.8
101.02448	1.6
113.02446	8.5
115.04018	2.1
131.03502	2.0
132.71977	0.5
144.06781	0.5
145.02943	2.5
161.04587	0.6
216.59001	0.6
216.87534	0.5
235.80074	0.6
299.20135	3.4
315.19666	5.0
317.21198	17.0
318.21527	2.0
333.20819	1.6
387.21890	1.5
431.24359	100.0
432.24686	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	431.2433
Annotation	Leucosesterlactone
Peak:m/z	Relative Intensity
56.09490	0.4
59.01376	2.1
60.97527	0.4
60.99305	1.1
69.28904	2.2
69.29327	1.2
84.93883	0.4
88.98811	4.7
89.02449	0.6
96.96001	0.7
112.01638	1.1
115.04024	0.6
140.69757	0.4
259.46567	0.4
277.84546	0.4
319.22754	6.9
320.23120	0.6
359.21970	2.5
369.24332	0.5
387.25391	12.4
388.12503	0.5
388.25684	2.1
403.21054	2.7
431.24374	100.0
432.24710	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	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68872	0.5
55.91450	0.7
58.01926	0.6
59.01376	100.0
60.01725	0.8
69.03465	0.8
69.49656	2.7
69.50064	1.1
71.01379	26.8
72.99311	0.7
73.02944	38.7
74.64553	0.6
83.01379	7.4
83.01820	0.6
85.02953	4.5
87.00905	1.7
89.02442	8.9
93.03455	1.0
94.83241	0.6
95.01427	1.3
97.02993	0.7
99.00893	0.9
101.02440	28.3
111.08176	1.3
113.02448	13.6
114.02785	0.6
119.03521	2.4
125.02473	1.2
131.03554	2.4
137.02487	0.8
143.03554	1.8
149.04515	3.0
151.98471	0.6
153.09218	11.1
161.04544	7.1
191.05626	1.4
204.14758	0.6
209.15465	9.0
221.06752	0.9
227.11864	0.7
227.16684	1.0
299.15039	1.2
371.20831	3.2
389.22009	2.5
431.23184	2.5
445.25272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84816	0.8
55.01878	2.0
59.01379	100.0
60.99321	0.9
61.98835	2.4
69.35675	8.3
71.01406	1.6
71.05014	2.2
78.05106	0.9
80.74386	1.0
83.05040	1.5
85.02939	1.6
87.36057	0.9
93.03456	1.4
94.65075	0.8
98.19858	1.2
99.04530	1.3
101.02421	1.6
115.04002	7.5
115.24243	0.9
119.05003	0.9
131.88814	0.9
154.91418	0.9
191.05635	1.6
233.67867	1.0
315.19522	1.9
333.20670	2.3
431.24411	51.5
432.24783	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	431.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20094	0.3
59.01378	100.0
60.01719	1.4
70.75129	0.8
70.75501	0.7
71.01385	2.5
73.02959	0.9
83.01411	0.5
85.02970	1.2
89.02435	1.8
101.02445	1.8
113.02480	1.5
119.03503	0.9
147.45706	0.3
149.04625	0.5
153.61000	0.4
155.10880	0.4
161.04605	1.0
227.16629	0.5
281.07608	0.4
323.82202	0.3
324.54797	0.4
326.52939	0.4
372.10376	0.4
389.21921	1.2
391.19839	0.3
431.23340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
59.01377	100.0
59.52621	0.4
60.01713	1.6
69.40810	1.5
69.41238	1.3
71.01382	5.4
71.05036	0.5
73.02949	1.5
77.57915	0.4
83.01389	0.9
83.05029	0.5
85.02931	2.2
89.02432	2.4
93.03467	0.4
95.01384	0.5
95.40987	0.3
98.19904	0.8
98.95676	0.3
99.00874	0.7
101.02428	2.5
113.02446	2.3
119.03519	0.6
129.21935	0.3
135.11832	0.4
139.07692	1.1
143.03491	0.5
155.10793	3.1
157.84470	0.5
161.04561	2.3
179.05775	0.4
187.00383	0.4
191.05640	1.0
227.13048	0.5
227.16513	5.3
227.18427	0.5
257.08151	0.5
267.42062	0.4
341.14029	0.4
371.20743	0.6
389.21866	2.1
440.43423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
57.03455	0.6
58.00597	3.2
59.01377	100.0
60.01701	1.1
61.98839	0.8
71.01379	50.2
71.51711	0.4
72.01725	0.7
72.99311	3.5
73.02965	1.6
75.00869	0.6
81.03477	0.3
83.01389	1.7
85.02946	7.9
87.00873	2.6
89.02442	63.1
90.02769	1.2
95.01391	2.8
96.96020	0.4
99.00867	0.5
101.02438	23.5
102.02787	0.6
113.01621	0.5
113.02444	19.9
119.03495	25.1
120.03828	0.7
123.08122	0.4
125.02418	0.7
131.03487	2.3
136.05290	0.5
137.02394	0.6
143.01730	0.4
143.03519	3.6
149.04582	1.8
151.07544	0.4
161.04552	3.7
162.04826	0.3
163.56157	0.3
179.05597	6.5
180.05850	0.4
195.06616	3.0
214.67249	0.4
265.71072	0.3
269.17310	1.0
293.17856	0.3
306.21365	0.3
431.09714	0.6
431.15408	4.4
431.22934	3.3
432.15128	0.8
432.23065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87645	0.3
52.08301	0.3
59.01370	1.0
70.37597	0.7
78.95903	68.7
96.96965	6.3
120.12688	0.3
150.98021	1.7
152.99582	100.0
153.99930	1.6
171.00630	3.4
195.17859	0.4
233.80779	0.3
277.21732	0.9
431.21988	7.0
432.22424	1.4
447.44302	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2201
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
62.01877	0.3
70.95526	0.6
78.95901	81.1
96.96954	6.3
120.80340	0.3
150.98009	1.5
152.99582	100.0
153.99916	2.0
157.57182	0.3
166.80699	0.3
171.00627	3.1
179.45963	0.3
197.44754	0.4
277.21741	1.0
298.94565	0.3
431.21960	9.5
432.22318	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47468	0.6
59.01377	100.0
59.09140	0.4
60.01729	1.3
68.27211	0.5
68.71208	0.5
69.31692	1.7
69.32113	2.6
71.01377	6.5
72.73279	0.6
73.02934	2.4
83.01396	1.0
85.02959	2.2
89.02457	3.0
93.03398	0.6
99.00883	3.3
101.02446	3.8
113.02428	3.2
119.03520	1.5
149.04546	0.8
161.04578	2.4
184.06041	0.5
191.05655	0.7
227.16557	1.3
255.16237	0.8
268.03937	0.5
269.13898	0.9
299.15790	0.6
299.18604	2.8
301.12982	0.9
387.19952	0.5
389.21866	1.8
390.21964	0.7
431.10233	0.7
431.18463	3.0
432.29721	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	1.7
59.01377	100.0
69.35404	9.7
71.01379	20.3
72.99310	2.1
73.02953	1.3
73.60184	1.3
76.12958	1.1
77.91383	1.2
83.01391	1.2
85.02933	4.8
85.73431	1.2
87.00842	1.3
89.02449	24.1
95.01358	1.4
99.04521	13.1
101.02431	11.8
113.02455	7.6
119.03499	7.4
120.03815	1.3
134.86554	1.4
161.04503	2.1
161.65765	1.1
179.05447	1.7
189.12794	2.4
190.28766	1.2
191.33801	1.0
196.99226	1.2
204.74910	1.4
207.13844	17.2
211.44615	1.2
238.38387	1.4
251.12865	70.4
252.13235	4.9
260.71143	1.4
269.13748	2.4
299.15051	1.4
299.18375	1.7
371.21182	1.4
431.19125	20.3
432.19449	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00911	0.8
57.03434	1.8
59.01382	100.0
60.01708	1.6
69.28528	6.9
71.01382	10.1
71.65969	0.8
73.02934	3.6
79.39436	0.7
79.95734	0.8
83.01392	1.2
85.02950	4.6
87.00813	1.1
89.02433	3.5
93.03442	1.1
95.01389	1.0
96.95988	1.1
98.19964	2.1
99.04479	1.0
101.02429	7.4
101.06084	7.2
107.05046	0.9
111.08188	1.2
113.02449	3.9
119.03511	2.0
123.04490	0.9
127.36314	0.9
145.03032	0.8
147.08142	1.6
149.06056	1.3
157.06485	1.3
159.08101	3.2
161.04532	2.6
165.12836	14.0
177.09175	1.1
183.08286	1.2
183.13896	47.8
184.14162	3.0
191.05609	3.0
191.07204	0.8
197.15427	1.9
198.06816	1.1
198.16129	0.9
201.09172	1.3
203.07060	1.9
203.10844	0.9
207.06636	1.2
207.13885	1.8
209.11736	3.0
213.09187	2.9
219.10274	3.1
225.14903	1.3
227.12889	61.1
228.13268	4.5
231.10234	2.8
245.08116	2.5
249.11255	3.4
251.12930	1.0
257.08069	2.3
269.13864	1.6
275.09277	5.3
287.31290	1.0
293.10260	3.4
299.18689	2.0
312.79520	0.9
318.96149	0.9
371.20490	1.0
389.21729	1.9
395.16953	2.7
431.19696	2.0
452.92471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.8
59.01381	100.0
60.01723	1.3
61.98831	14.2
71.01383	5.6
71.05015	0.9
71.28872	1.2
73.02941	3.3
83.01392	1.6
85.02966	3.0
87.00854	3.2
89.02458	2.3
93.03440	0.8
99.00888	1.6
99.04513	1.5
101.02460	3.0
109.86874	0.8
113.02451	3.1
119.88433	0.6
137.02431	0.9
149.04514	4.1
161.04581	4.9
162.04900	0.7
165.12808	2.0
169.12326	2.7
171.34906	0.6
179.05612	6.6
188.89467	0.8
191.05623	1.4
199.68889	0.7
207.13887	12.9
208.14229	1.5
209.11823	7.9
225.14931	1.0
227.16611	0.8
231.56290	0.6
237.15005	1.0
242.19629	0.7
251.12923	3.8
269.13956	12.8
270.14243	1.2
299.18600	1.4
362.25220	0.7
389.21622	0.9
405.23203	0.8
426.84552	0.7
431.19061	22.5
432.19550	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	1.4
59.01379	59.8
60.01702	1.0
70.00539	3.3
71.01012	1.7
71.01380	25.0
72.99282	1.1
73.02943	1.3
83.01405	1.1
85.02940	5.5
85.68073	1.0
89.01946	1.2
89.02447	20.7
91.31522	0.9
91.79028	0.8
95.01387	1.9
99.03923	1.6
99.04525	21.6
101.01882	1.2
101.02442	11.8
107.08620	1.2
113.02448	8.2
116.20611	0.9
119.03516	8.1
143.03493	1.3
149.04517	1.3
161.04547	1.5
185.66388	0.9
189.12804	5.8
196.73006	0.9
207.12085	1.5
207.13899	23.5
208.14189	2.5
233.11824	1.4
251.12871	100.0
252.13219	8.7
269.13846	2.6
280.92801	0.9
371.20499	1.2
431.19000	31.2
432.19449	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	431.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98546	0.7
59.01378	100.0
60.01717	1.0
69.51402	4.7
71.01382	3.8
71.21824	0.7
72.50691	0.7
72.99304	1.7
73.02948	1.4
84.26693	0.9
85.02946	1.2
89.02435	3.0
93.03445	7.2
98.95599	0.9
101.02448	2.5
113.02470	1.2
119.03523	1.9
137.02449	13.5
156.33000	0.8
161.02393	2.4
176.04805	1.5
177.76944	0.8
179.03497	3.8
183.76241	0.8
194.05814	4.6
202.80957	0.9
209.08191	13.8
299.07718	1.3
353.00095	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.4
70.83443	0.7
71.01367	1.6
73.02951	0.7
85.02961	0.7
88.98780	0.7
89.02429	0.4
93.03456	78.0
94.03802	2.5
99.00867	1.0
101.02446	0.8
105.46944	0.4
106.48642	0.3
113.02430	0.6
126.23409	0.3
137.02441	100.0
138.02773	4.1
161.04530	0.8
169.15005	0.3
179.03439	0.9
267.99765	0.3
299.07693	2.8
398.91852	0.3
431.11917	20.7
432.12189	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	431.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12812	0.3
59.01379	7.4
61.98831	1.9
65.00441	0.2
65.03951	0.4
69.03458	0.8
71.01382	1.1
71.50831	0.5
72.99290	0.3
73.02942	0.5
85.02949	0.4
88.98822	0.7
89.02443	0.7
92.86972	0.3
93.03457	50.8
94.03784	1.6
96.00848	0.3
96.96053	0.4
101.02453	0.5
113.02464	0.5
119.03516	0.4
119.05040	0.5
131.03581	0.6
135.03065	0.3
137.02441	100.0
138.02780	3.9
147.04500	0.3
149.06105	0.3
151.04091	0.4
160.90042	0.3
169.31334	0.3
179.03508	0.5
195.06561	2.0
228.95541	0.3
236.00946	0.3
257.84250	0.3
267.45786	0.3
294.39465	0.3
299.07687	5.9
348.09708	0.3
368.95410	0.3
387.18289	0.3
407.50223	0.3
431.11758	5.1
432.12607	0.9
452.08481	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22101	1.8
57.03441	1.9
57.69407	1.8
59.01379	48.0
60.21074	2.2
68.16618	2.3
71.01411	3.7
71.53570	1.8
71.53967	2.4
72.99320	3.3
73.02943	4.5
82.00626	2.9
83.04360	1.7
83.05044	3.4
84.63773	1.7
85.03015	2.0
87.00883	5.5
92.02722	2.5
93.03430	3.7
95.01386	9.8
99.04530	16.3
99.91534	2.1
108.02170	20.3
120.99647	3.1
136.01680	18.3
137.09744	3.9
155.10800	9.3
158.03590	1.9
186.06819	4.8
199.09769	27.1
200.09897	1.9
214.06403	2.8
215.07082	3.4
227.07120	100.0
228.07498	8.5
229.08736	4.8
250.85396	2.1
275.09213	2.1
327.64661	2.1
334.07248	2.2
389.15991	2.8
431.24527	27.1
432.24722	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	429.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01725	0.9
63.49502	0.7
69.89272	3.2
72.99318	1.3
88.98810	2.2
89.02461	0.8
91.04038	1.7
97.67822	0.7
99.04468	1.1
113.02464	1.5
117.15279	0.7
121.72017	0.6
122.03667	0.7
132.10995	0.8
180.89941	0.8
195.13837	0.7
267.16245	1.0
295.22787	11.3
296.23331	1.2
301.32748	0.7
357.20547	1.3
401.19714	0.9
429.22778	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	430.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85855	1.5
59.01373	11.8
60.99280	1.5
61.98828	21.9
66.92403	1.4
67.92735	1.3
71.01385	2.2
71.51113	1.4
71.51481	1.9
72.00912	11.4
73.37766	1.2
85.02975	1.3
88.98802	11.3
89.02417	2.5
93.03447	4.2
96.00835	1.4
96.96010	4.5
101.02455	2.0
109.14330	1.3
125.39768	1.4
134.06056	1.8
137.02428	9.2
147.04514	31.9
156.47099	1.4
164.07158	100.0
165.07484	3.3
178.05038	2.4
328.47943	1.7
430.09238	9.3
431.10312	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	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
57.03428	0.9
59.01381	100.0
60.01715	1.5
63.03831	0.3
69.03449	0.4
69.60986	1.2
69.61399	1.0
71.01383	12.0
72.99308	0.5
73.02946	2.4
76.85802	0.3
83.01402	1.1
85.02948	4.7
87.00884	1.4
89.02449	7.4
95.01417	1.1
97.02973	0.5
99.00902	0.6
101.02454	7.4
113.02448	8.9
114.02794	0.4
116.01828	0.3
119.03494	3.2
123.08180	0.4
125.02472	0.4
131.03558	0.4
143.03511	1.5
149.04561	0.5
161.04588	2.3
163.11313	0.4
179.05638	0.9
189.12822	0.6
195.13937	1.0
199.43181	0.3
225.14984	2.2
267.16058	0.9
271.44318	0.4
369.19153	5.7
370.19537	0.6
387.20251	7.7
388.20776	0.8
429.21494	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2278
Annotation	Kuguacin K
Peak:m/z	Relative Intensity
54.83634	0.4
59.01383	2.2
61.98822	0.7
69.23367	4.7
78.95904	1.2
83.05019	3.4
85.02952	8.6
87.00874	0.5
92.86389	0.5
98.19941	1.2
111.00867	3.5
115.92039	0.5
116.92838	1.9
129.01889	1.5
136.38564	0.5
148.86584	0.4
152.99530	1.0
164.34424	0.5
232.21848	0.4
267.15924	0.7
283.26273	0.5
287.20081	0.7
299.20105	2.0
300.20541	0.6
317.21301	3.3
368.49866	0.5
375.20993	0.4
385.23822	22.7
386.24173	3.2
429.22781	100.0
430.23138	16.1
451.11096	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99295	0.5
58.53713	0.6
59.01379	100.0
60.01723	1.1
61.41815	0.6
65.42113	0.6
66.27067	0.6
69.50462	0.9
69.50879	3.7
71.01381	1.6
73.02937	0.9
85.02966	0.7
96.07897	0.6
99.04526	3.6
112.33553	0.6
120.99637	0.7
150.02486	0.5
181.87109	0.6
197.62968	0.6
211.09927	0.7
218.98088	0.6
267.16122	0.7
276.42007	0.6
297.17160	2.3
326.40332	0.7
429.12430	2.0
429.20203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66435	0.7
59.01381	100.0
69.36584	4.3
71.01369	1.7
89.02468	1.3
98.95628	1.4
100.96066	0.8
101.02467	0.8
118.32627	0.7
119.03472	0.8
152.32863	0.6
194.73898	0.8
205.16000	2.5
208.11157	3.3
249.15007	3.6
296.38382	0.7
411.10989	1.4
429.26016	1.9
445.18143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31978	0.4
59.01382	0.7
64.41055	0.4
69.34187	1.2
69.34615	1.7
71.01385	1.7
76.82097	0.4
80.61580	0.4
85.02950	1.6
87.04502	0.8
88.10869	0.3
101.02441	0.5
101.06082	0.8
112.29706	0.4
113.02444	0.9
121.06667	0.4
122.03740	51.2
123.04079	1.4
124.05300	1.4
134.03732	1.2
135.62086	0.4
136.05269	0.4
149.06088	9.5
150.06862	1.0
151.07675	3.0
153.09212	2.2
161.04539	0.5
162.06761	0.4
163.07643	1.5
177.09245	0.6
178.10048	0.7
179.10748	3.5
191.10803	5.5
231.13904	0.8
249.14909	2.0
251.12920	0.5
252.13655	1.3
265.14404	3.8
266.15237	18.1
267.16006	100.0
268.16370	10.3
346.83258	0.4
429.21423	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07815	0.3
57.03437	0.3
59.01375	0.9
62.87547	0.3
64.89031	0.3
69.40263	1.4
69.40688	0.9
71.01398	1.5
73.02921	0.6
78.79278	0.3
81.04632	0.3
81.81145	0.3
83.34850	0.2
85.02935	1.7
87.04510	0.9
89.02469	0.4
101.02474	0.6
113.02467	0.5
122.03738	47.2
123.04124	1.0
124.05313	0.7
127.94748	0.3
134.03746	1.0
135.04539	0.5
137.61279	0.3
148.05296	0.4
149.06081	8.5
150.06781	0.6
151.07629	3.1
153.09230	1.7
161.04497	0.4
161.09766	0.6
162.06871	0.5
163.07675	1.1
165.09250	0.5
177.09242	0.5
178.10001	0.8
179.10789	3.7
191.10791	5.5
192.11082	0.5
207.10216	0.7
221.11638	0.4
231.13931	0.4
249.14897	2.3
251.13022	0.7
252.13676	1.1
265.14450	4.4
266.15210	12.6
267.15994	100.0
268.16327	8.5
298.35321	0.3
386.46347	0.3
429.21103	2.6
430.21707	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.5
61.98818	1.9
69.30466	3.0
69.30875	1.9
69.97220	0.5
71.01382	9.1
83.05037	2.1
84.93884	0.6
90.04812	0.6
98.19952	1.3
99.92579	31.2
100.92653	1.5
100.93354	5.2
104.63911	0.5
115.92070	100.0
116.92096	5.8
116.92849	71.2
117.92895	3.2
128.86612	0.6
132.92386	0.8
144.96011	1.4
154.94463	0.8
167.50354	0.6
172.95461	43.5
173.95586	2.5
179.72702	0.6
231.83746	0.7
255.23300	3.5
355.15948	1.4
371.15213	1.2
429.09085	0.6
429.19492	6.0
430.19730	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76297	0.2
61.98825	4.7
62.75131	0.2
71.01331	0.2
99.92579	5.0
99.93179	0.4
100.92672	0.6
100.93358	9.7
101.93370	0.6
115.92072	100.0
116.92077	6.1
116.92863	5.5
117.92872	0.5
132.92343	0.9
138.85884	0.3
139.43674	0.2
142.94469	0.4
172.95450	4.9
173.95541	0.3
208.52698	0.3
255.23303	0.8
355.15674	0.5
356.16547	0.3
361.35196	0.3
371.15625	0.2
381.17285	0.8
411.18671	0.3
429.13965	0.5
429.19385	3.7
430.19702	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.4
59.01385	2.2
59.90825	0.3
69.17307	3.2
71.01378	2.0
73.02947	0.4
83.01400	0.4
83.05060	0.3
85.02957	1.6
87.04522	0.9
89.02456	0.4
97.02959	0.3
98.19854	0.6
101.02441	1.0
109.02913	0.4
113.02476	0.9
122.03743	47.7
123.03976	1.5
124.05319	1.0
134.03731	1.5
135.04538	0.6
136.05272	0.5
148.05305	0.5
149.06076	10.3
150.06807	0.7
151.07689	3.4
153.09247	1.6
161.04593	0.6
161.09775	0.5
162.06778	0.3
163.07623	1.1
165.05511	0.3
165.09239	0.3
178.10036	0.7
179.10774	3.0
191.10793	5.1
192.11203	0.5
207.10207	0.6
231.13950	0.3
249.14890	1.7
251.12979	0.6
252.13684	1.3
265.14444	2.9
266.15228	18.5
267.16000	100.0
268.16351	9.8
298.91702	0.3
299.02008	0.3
309.17032	0.3
429.15738	0.4
429.21371	4.4
429.27011	0.3
430.21692	0.7
452.97968	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32414	0.5
59.01112	0.9
59.01382	12.7
60.15190	0.5
63.77733	0.5
69.03451	0.7
71.01382	3.6
72.56905	0.5
73.02553	1.0
73.02946	12.4
79.95745	0.8
82.02831	0.5
83.01403	0.5
85.02950	1.6
87.04527	1.2
89.02446	1.0
95.05029	0.6
96.96001	1.9
101.02443	1.8
102.98521	0.5
109.06616	1.1
111.08131	0.7
113.02448	1.2
113.11607	0.5
119.03489	0.6
119.89462	0.5
121.06535	0.5
122.80976	0.6
163.11285	8.3
175.90263	0.5
181.12337	100.0
182.12665	7.0
195.13963	0.8
207.10332	1.4
223.13406	1.3
225.11314	51.3
226.11642	3.6
239.12874	1.6
260.39771	0.6
267.12387	6.7
267.15567	1.1
268.12677	0.7
297.13828	0.8
297.17099	1.1
390.51062	0.5
419.19260	0.6
429.21677	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	429.132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68796	7.4
59.01123	6.2
59.01385	100.0
66.75724	6.3
69.21124	51.6
69.21526	17.3
78.24403	8.6
85.02944	71.9
119.97372	8.3
121.30005	7.6
165.09218	12.0
211.07813	7.3
213.09196	12.1
214.51521	6.9
231.10077	8.9
245.08167	13.1
275.09167	32.3
429.20856	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	10.9
59.01375	44.2
60.67229	3.6
65.60971	3.6
71.01379	11.3
71.28823	6.5
72.99290	12.1
73.02930	6.8
74.54837	3.4
80.02608	3.3
81.03445	8.7
85.02953	58.6
85.78490	4.4
87.04510	11.3
87.79360	3.6
89.02451	4.8
95.05033	6.3
97.02964	3.6
99.04530	35.5
101.02458	4.0
107.05022	17.0
109.02953	11.5
109.06612	8.9
111.04529	6.3
113.02423	20.2
119.05048	6.0
121.02959	4.4
121.06586	13.1
122.03748	4.6
123.04523	11.2
125.06064	9.4
133.06570	13.0
135.08134	9.8
137.02452	5.3
137.06059	5.6
141.05586	3.9
141.07060	4.2
147.08131	5.3
149.06006	8.4
149.09782	4.9
151.04083	9.8
151.07655	9.0
159.08160	26.4
161.06087	13.9
161.09683	6.1
163.07613	11.7
165.09180	5.0
171.08109	6.0
173.06061	5.3
175.04118	5.4
175.07608	5.8
177.05579	23.0
179.07106	8.3
179.26823	3.5
183.72198	3.6
185.09814	4.6
188.08331	5.3
189.05550	11.3
189.09206	4.8
191.07237	4.2
193.05032	12.0
193.08565	4.5
203.07146	31.5
203.10754	17.0
203.65010	3.5
205.05043	24.4
205.08560	4.1
207.06671	19.7
211.09772	7.6
213.09233	9.3
219.10318	4.1
231.10207	23.9
233.08044	4.7
247.09726	12.3
249.11255	7.5
275.09241	11.0
293.10309	100.0
294.10617	15.1
297.16934	9.2
429.13022	17.6
429.24899	15.5
430.25668	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	429.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.0
64.85925	0.7
65.29266	0.6
71.01382	5.6
71.23521	0.6
71.39292	1.3
72.99313	1.2
73.02946	1.9
85.02959	1.9
87.00877	100.0
88.01231	1.7
89.02436	4.6
101.02463	2.1
108.90190	4.5
110.89931	0.9
111.00866	1.2
113.02437	2.6
115.00373	2.2
119.03537	1.3
125.22337	0.7
131.03500	1.6
136.01639	1.2
148.05290	0.9
149.04576	3.6
151.04027	1.9
152.95970	2.6
160.05334	0.9
171.17734	0.7
175.02469	3.6
175.07605	0.7
178.05075	3.5
178.06389	3.2
178.07724	0.7
179.05606	2.4
182.97021	4.0
184.00224	1.7
191.00212	2.8
191.01903	0.9
193.08627	3.8
194.43173	0.7
199.77901	1.0
237.07761	1.7
256.90338	2.7
267.08826	1.0
281.00702	1.5
319.01205	1.3
341.10876	7.2
354.99127	1.3
355.08774	1.7
379.03131	1.0
411.06094	2.7
429.13943	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	429.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.0
64.85925	0.7
65.29266	0.6
71.01382	5.6
71.23521	0.6
71.39292	1.3
72.99313	1.2
73.02946	1.9
85.02959	1.9
87.00877	100.0
88.01231	1.7
89.02436	4.6
101.02463	2.1
108.90190	4.5
110.89931	0.9
111.00866	1.2
113.02437	2.6
115.00373	2.2
119.03537	1.3
125.22337	0.7
131.03500	1.6
136.01639	1.2
148.05290	0.9
149.04576	3.6
151.04027	1.9
152.95970	2.6
160.05334	0.9
171.17734	0.7
175.02469	3.6
175.07605	0.7
178.05075	3.5
178.06389	3.2
178.07724	0.7
179.05606	2.4
182.97021	4.0
184.00224	1.7
191.00212	2.8
191.01903	0.9
193.08627	3.8
194.43173	0.7
199.77901	1.0
237.07761	1.7
256.90338	2.7
267.08826	1.0
281.00702	1.5
319.01205	1.3
341.10876	7.2
354.99127	1.3
355.08774	1.7
379.03131	1.0
411.06094	2.7
429.13943	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	429.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.2
59.01375	14.5
66.17344	3.5
66.39499	3.3
69.64338	8.6
69.64754	13.3
71.01363	5.1
72.99305	17.9
81.03444	7.7
83.05022	5.3
85.02954	58.6
87.00864	5.1
87.04511	7.0
89.50598	4.1
93.03434	3.8
93.07079	4.1
94.55466	3.0
97.02901	3.9
99.04516	33.3
101.02373	4.0
107.05019	21.6
109.02931	9.4
111.04511	5.2
113.02425	14.7
114.45264	3.6
121.06586	7.7
123.04496	11.8
125.06053	5.6
131.75465	4.1
133.06607	11.9
135.04543	5.5
135.08109	6.7
137.02373	8.6
143.04976	4.3
145.06583	4.3
147.04529	8.0
149.06049	6.7
151.03969	9.8
151.07608	11.5
159.08136	21.7
161.06102	18.1
161.09613	3.1
163.07631	11.4
164.99684	3.2
170.84595	3.3
177.05537	22.0
179.07092	11.3
189.09229	6.0
193.05009	12.0
203.07127	31.2
203.10681	8.8
205.05086	26.3
205.08694	4.4
207.06561	14.7
213.09198	8.0
231.10370	18.7
233.08086	6.8
247.09702	10.9
265.10718	5.9
275.09189	13.0
293.10309	100.0
294.10791	4.9
429.13086	15.2
429.25302	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.9
61.98830	100.0
67.68220	1.0
80.42826	1.1
126.17168	1.1
139.13036	1.1
142.96420	1.0
214.14998	1.1
365.26944	3.9
366.26746	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.2
58.41747	0.6
59.01379	1.0
61.98829	100.0
76.80618	0.5
81.03455	3.6
97.23782	0.5
115.92081	12.2
125.02499	1.0
139.24312	0.7
229.15503	0.6
309.98093	0.6
339.13760	0.7
357.62463	0.6
365.26993	6.5
366.27448	0.7
429.19434	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.6
59.85216	1.1
61.98829	100.0
69.85459	6.8
78.58498	1.1
100.32811	1.1
149.06500	1.3
150.16275	1.1
161.60252	1.4
203.26326	1.4
226.05792	1.3
251.84668	1.6
266.98206	1.3
282.62262	1.2
295.77548	1.2
316.28857	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	429.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27877	0.5
59.01379	9.6
61.98829	1.5
65.67458	0.3
71.00054	0.9
71.01382	2.5
73.02944	0.9
79.95736	11.1
80.96513	3.4
85.02964	0.7
85.78475	0.4
87.00874	0.4
89.02454	1.6
93.03429	0.5
94.98065	1.1
95.01366	0.5
95.95230	8.2
96.96011	100.0
101.02433	1.6
106.04250	0.5
107.05019	1.3
110.97588	0.8
113.02461	1.1
119.03481	0.8
119.05037	1.3
120.02178	2.2
122.03725	3.4
122.96768	0.7
122.97588	9.9
123.04530	1.2
134.03702	0.7
135.04498	0.6
136.01634	0.5
137.02348	0.4
138.03239	6.0
141.48293	0.4
146.16168	0.4
149.02411	0.5
149.06084	1.1
150.03230	4.2
151.04021	0.4
151.07649	0.4
153.05583	24.4
154.05917	0.9
162.03242	1.7
163.04010	3.2
165.05598	2.5
177.05548	1.5
179.03497	0.7
179.68602	0.4
191.05670	0.4
191.10724	0.4
195.06622	0.6
201.08815	1.3
207.98495	0.7
240.28700	0.4
245.01189	0.7
258.01990	0.7
265.14413	0.7
266.15005	1.4
266.30280	0.4
267.16028	5.3
275.02295	20.2
276.02643	1.3
341.93408	0.4
368.83667	0.4
429.08588	36.0
429.21045	4.1
430.09009	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	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57608	1.6
59.01378	100.0
61.98827	3.4
66.72167	1.5
71.52586	2.5
71.63204	1.5
75.97282	1.5
80.66737	1.6
82.55771	1.7
104.67970	1.5
110.25963	1.8
122.12005	1.6
222.26538	1.5
265.68643	1.8
293.21204	4.8
440.12863	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28543	1.6
52.75021	1.6
59.01377	100.0
64.35713	1.9
71.52116	2.1
79.19478	1.7
82.17138	1.6
99.04449	1.6
131.29141	1.6
142.13646	1.6
156.05960	1.6
168.57944	1.8
225.74739	1.8
235.16988	2.0
275.20020	3.9
276.88644	1.8
293.21234	5.0
316.42578	2.0
356.24048	9.4
425.88782	1.8
427.28726	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	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05444	1.1
53.11924	1.5
56.48969	1.2
59.01381	100.0
60.01693	1.6
62.12576	1.2
66.80684	1.2
69.30756	10.6
72.81709	1.3
83.92902	1.1
91.03986	2.8
94.00296	1.4
119.83438	1.3
122.78815	1.2
125.02441	1.8
125.48904	1.5
126.02769	1.9
275.20111	2.2
293.21161	9.2
359.18546	2.9
391.21152	1.4
411.63818	1.4
427.24615	2.4
427.29633	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	428.156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66963	0.8
59.01377	12.3
61.98828	100.0
69.50426	3.1
69.50853	2.1
71.01385	1.6
71.05033	0.7
72.99304	1.1
73.02953	3.0
73.29779	0.6
76.17189	0.7
85.02948	0.8
98.20586	1.3
101.02432	1.0
113.06068	1.1
124.37032	0.7
149.04558	1.2
155.10780	1.3
174.11418	1.0
181.12337	13.7
211.13466	1.4
223.13365	0.9
225.11298	22.9
267.12531	1.0
279.12366	1.6
313.99655	0.7
314.19879	1.4
428.26428	4.9
429.17480	1.0
429.26920	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70277	12.4
52.49995	15.6
59.01372	64.1
61.98839	100.0
65.67274	14.3
68.77066	12.2
71.53185	18.6
71.53580	18.3
115.01413	14.0
120.81686	14.2
138.73904	14.9
214.63100	12.9
260.32355	15.1
342.22589	23.8
429.22382	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1973
Annotation	Carolenalin 4-O-beta-D-glucoside
Peak:m/z	Relative Intensity
50.95867	1.2
59.01382	100.0
69.44827	8.2
69.45183	1.1
71.01382	22.6
73.02952	16.1
83.01414	4.3
85.02924	5.0
88.49094	1.0
89.02444	4.1
94.62080	1.2
95.01379	1.3
95.05036	1.2
96.96024	1.0
97.02949	1.5
99.00902	1.6
101.02440	9.5
105.07071	1.0
106.29038	1.0
109.06551	1.2
110.16055	1.1
111.04462	0.9
113.02449	9.5
119.03467	1.5
119.05026	1.8
120.99518	1.0
121.06557	0.9
122.03745	2.6
123.08163	2.1
125.02468	1.4
125.06100	2.3
136.05284	2.1
138.06885	10.6
139.07643	3.2
149.05998	2.9
151.07617	9.0
152.08443	20.8
153.09215	55.3
154.09517	2.5
161.04544	4.3
161.06091	2.8
162.06909	1.8
163.04095	1.3
163.11145	1.3
165.09192	1.6
176.08429	25.8
177.09186	16.2
178.09514	1.4
184.33490	1.1
189.09209	4.9
190.10020	1.9
191.10788	6.2
205.12340	17.5
205.14136	1.9
206.12665	2.2
223.13354	7.1
224.13776	1.5
229.12323	1.5
247.13309	2.8
264.13611	14.1
265.14426	52.7
266.14783	5.7
283.95166	1.0
300.60934	1.0
367.17624	4.9
374.04913	1.1
385.18582	2.6
427.19437	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	427.197
Annotation	Ixerin E
Peak:m/z	Relative Intensity
57.03458	0.5
59.01367	2.2
60.13844	0.5
70.40073	0.7
71.01366	1.9
83.01400	0.6
85.02942	1.4
89.02396	0.5
95.05035	0.6
96.96021	0.7
101.02428	1.0
104.99600	0.5
107.05022	0.5
108.02158	3.3
109.02933	0.9
113.02414	0.8
115.07678	0.9
121.06524	0.6
122.03744	15.5
123.04545	8.0
125.06120	0.8
134.03709	4.1
135.04550	3.5
135.08191	0.5
136.05232	1.2
148.05322	2.0
149.06087	28.6
150.06572	2.0
151.03996	1.3
151.07677	1.2
159.04472	1.2
161.04681	0.6
161.06029	1.0
162.06851	1.7
163.07591	1.5
164.08420	1.2
164.52896	0.5
165.09195	4.4
173.06078	1.1
174.06801	0.8
175.07605	0.8
176.08406	0.6
177.09233	1.3
179.07118	1.1
185.13332	1.3
189.09207	1.0
191.10814	1.2
193.08705	11.7
194.09081	1.1
199.07642	0.9
205.54150	0.7
211.11302	1.0
213.09216	1.4
214.10030	3.2
217.12303	1.5
218.41251	0.6
220.10953	0.6
221.11842	1.2
223.21957	0.5
227.10767	1.6
229.12329	9.4
230.12625	1.2
247.13406	6.5
264.13635	13.6
265.14426	100.0
266.14758	10.2
333.45413	0.5
427.12643	1.1
427.19714	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	427.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70909	0.5
57.50211	0.6
59.01377	100.0
60.01706	1.1
61.98836	1.0
90.46899	0.7
106.52194	0.5
115.01405	0.5
148.05296	7.2
163.07657	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	427.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93467	0.8
53.20167	1.0
55.90959	0.7
59.01381	100.0
60.01724	1.2
61.98835	13.7
70.07019	3.6
71.01395	1.0
73.04192	0.8
73.45202	0.7
101.02418	1.0
120.99658	3.4
140.55869	0.9
148.05328	9.2
163.07655	13.1
164.04767	3.8
179.07149	4.3
418.81165	0.9
427.14063	1.1
449.40375	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.197
Annotation	Hypochoeroside A
Peak:m/z	Relative Intensity
59.01360	0.8
70.18807	1.4
71.01381	5.1
73.02944	1.6
83.01404	0.6
85.02952	3.4
91.12042	0.6
101.02431	3.0
102.98547	0.6
113.02448	1.9
119.68290	0.6
121.06586	0.6
122.03745	6.2
123.50828	0.6
134.03737	4.0
135.04553	3.7
136.05269	1.7
137.06096	0.8
148.05289	3.7
149.06079	23.7
150.06543	0.8
151.07626	1.3
159.04541	1.0
161.04564	2.1
161.06091	5.3
161.09679	0.7
162.06740	0.9
163.07674	1.2
165.09363	0.7
170.94322	0.6
173.09634	0.7
175.07576	0.6
176.08418	100.0
177.08794	7.5
189.09227	2.1
190.09961	2.2
191.10768	67.1
192.11066	5.0
205.08704	2.6
229.12325	2.0
235.13309	0.7
247.13307	1.4
247.99455	0.7
264.13657	3.8
265.14423	62.7
266.14758	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	427.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
56.06337	0.9
56.98037	1.1
57.03432	3.3
58.99602	14.9
59.01379	61.8
61.98814	4.3
69.29898	2.0
69.30299	7.7
71.01377	26.2
72.99290	1.2
73.02943	13.0
74.99088	4.4
77.77649	1.2
79.95746	0.9
80.96505	1.4
83.01373	3.4
83.04991	1.1
85.02947	9.2
87.00864	4.5
89.02444	19.1
93.03455	1.5
95.01353	1.1
95.04992	1.3
96.42484	1.0
96.96011	17.8
97.02966	1.1
97.06579	1.2
98.20649	2.0
98.95580	1.4
99.00879	1.1
99.04471	0.9
101.02437	17.7
102.98595	100.0
103.98918	1.1
105.75156	1.0
107.05005	1.3
108.02167	5.0
109.02961	1.5
111.04545	1.3
112.62381	0.9
113.02451	10.1
119.03510	8.5
120.99649	22.4
121.06586	1.3
131.03505	1.2
134.03685	1.3
135.08145	1.4
143.03448	1.8
144.28632	1.0
149.04570	1.9
149.06033	4.1
152.01158	6.5
153.09212	2.0
154.00941	3.4
161.04514	3.5
161.05870	1.1
161.09747	1.9
162.06844	1.1
163.00720	7.1
163.07576	1.8
163.11264	1.5
165.05562	1.0
165.09102	1.4
176.08414	10.4
177.09064	2.3
181.03282	3.8
182.03951	1.2
189.09035	1.3
191.05609	1.7
191.10748	4.2
203.14441	1.6
205.08693	2.3
205.12355	2.1
218.13179	1.0
219.13815	4.6
223.13373	2.6
225.05644	1.4
247.09621	9.1
247.13354	11.2
263.12863	5.0
264.13565	1.2
265.14368	8.0
295.11865	1.8
295.15295	1.7
297.11642	53.6
298.11853	5.8
299.13239	7.4
299.94919	1.1
367.11816	1.9
367.17368	2.3
385.13376	5.4
385.18073	1.3
427.06918	3.5
427.14157	20.8
427.19757	15.9
428.14429	2.9
428.20178	2.1
429.10248	3.1
448.94321	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.4
58.99599	17.4
59.01376	17.7
60.01709	0.8
60.22350	0.5
68.94037	0.5
69.03446	0.6
71.01369	3.1
73.02940	2.5
74.99086	3.2
80.96544	0.7
81.03433	0.8
83.01368	1.1
83.05045	1.3
84.02161	1.8
85.02946	2.9
87.00863	4.4
89.02460	1.8
96.96001	4.9
99.04516	1.7
101.02424	2.0
102.98594	100.0
103.98969	1.7
104.61803	0.7
111.04491	0.7
113.02415	1.8
120.77827	0.6
120.99651	34.4
121.02969	0.7
122.03719	1.7
129.01904	1.3
133.06657	0.7
135.08238	0.7
137.02449	1.4
149.06088	0.9
149.09727	1.8
151.07629	2.4
153.00157	0.9
154.00932	3.5
163.00673	6.7
164.04785	5.1
167.01781	1.7
170.00348	0.8
171.11798	1.7
176.08432	1.9
177.09209	0.7
179.07117	3.5
179.10707	0.8
181.03275	4.7
182.04050	8.2
183.04596	0.8
187.11264	1.1
189.09180	1.9
189.12852	2.5
191.05467	0.8
191.10747	0.9
196.01955	0.9
200.05492	0.7
201.12837	1.4
205.06981	2.2
205.12306	1.6
214.02936	1.5
215.10748	1.6
222.07184	2.6
223.07956	3.6
233.11884	1.8
247.13223	0.6
261.37405	0.6
263.12863	11.3
264.13150	0.9
265.14438	4.0
267.10645	2.4
277.14569	1.3
279.10687	1.8
295.15448	1.2
297.11633	68.1
298.11984	9.4
322.13422	0.7
355.86517	0.7
367.12210	2.0
383.17099	0.7
385.13162	2.3
427.14313	11.5
427.19736	6.6
428.14813	1.4
428.26538	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70984	0.2
59.01380	100.0
61.98831	34.0
69.31842	1.4
69.32251	0.5
71.01395	0.2
73.03613	0.2
88.53853	0.2
96.96009	0.3
97.15282	0.2
98.20669	0.5
126.43765	0.2
139.04086	0.3
148.04178	0.4
148.05304	6.9
163.07654	8.5
176.55467	0.2
383.51947	0.2
389.67487	0.2
427.19727	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	427.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.1
58.90971	0.5
58.99604	11.7
59.01379	12.2
67.60062	0.6
69.03439	0.6
69.16196	6.0
71.01375	3.1
73.02941	2.7
74.99091	1.3
79.95740	0.5
80.70024	0.5
80.96474	0.6
81.03447	0.7
83.05011	0.9
84.02162	1.2
85.02947	1.9
86.22147	0.6
87.00867	2.9
89.02451	1.6
96.96014	3.0
98.20667	1.3
99.04517	1.0
101.02448	2.5
102.98595	66.8
103.98929	0.8
113.02439	1.8
120.99657	22.0
122.03720	0.9
122.61418	0.6
137.02478	1.0
137.06038	0.7
147.75156	0.6
148.05270	1.1
149.04501	0.6
149.06049	2.3
149.09692	1.2
151.07649	0.8
153.00121	1.5
154.00970	4.9
161.04616	0.8
161.09697	0.9
163.00717	4.8
165.03778	0.7
167.01683	2.5
168.99619	1.1
171.08105	0.9
171.11757	0.9
176.08376	1.2
181.03278	7.6
182.04074	13.6
183.04401	1.7
187.11246	1.4
189.09200	2.0
189.12773	1.3
191.05681	0.6
191.10786	1.1
194.04041	0.9
199.00748	0.6
201.12764	0.8
205.06937	3.6
205.12308	0.8
207.04836	1.8
208.05661	1.0
214.02943	2.8
221.06480	1.1
222.07133	2.4
223.07916	4.7
233.11859	1.6
239.07411	0.9
243.10466	0.6
263.12851	7.0
264.13394	1.1
265.14432	2.2
267.10596	4.2
279.10498	1.1
297.11642	100.0
297.83636	0.6
298.11923	8.7
339.12561	1.0
367.12213	2.0
385.13284	1.8
427.14282	7.8
427.19775	4.4
428.14529	1.1
428.20532	0.6
428.26297	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91839	0.4
57.03448	24.7
58.03759	0.6
59.01380	5.7
61.98814	0.7
62.28023	0.4
63.02388	1.4
67.01881	1.9
68.99800	0.4
70.75043	1.1
71.01383	0.6
75.00845	0.4
81.03455	44.2
82.03795	1.6
83.01386	4.2
83.05027	8.4
96.12982	0.4
99.04516	4.1
107.01387	1.2
107.05025	1.1
110.83557	0.4
111.00895	0.6
125.02444	100.0
125.06062	2.7
126.02782	3.4
151.03969	1.4
175.03972	0.5
194.21426	0.4
255.23206	1.9
281.24857	1.4
293.20950	0.8
319.68100	0.4
321.28119	0.5
363.29031	0.8
407.28043	0.7
425.29068	23.9
426.29309	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	425.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
65.20632	2.0
69.69018	1.8
69.87128	7.4
78.95898	2.9
94.81432	1.8
98.20660	2.0
109.84173	1.9
141.50377	1.8
169.01512	2.5
181.58308	2.4
255.23169	11.3
256.23624	9.2
257.23993	15.9
258.24139	2.1
315.13290	2.0
321.00122	2.0
321.31619	22.3
322.31854	3.1
335.33145	17.7
362.80844	2.6
381.33698	100.0
382.34146	14.0
425.25754	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
65.28257	0.3
69.18036	2.5
70.61005	0.3
79.95747	2.9
96.96012	100.0
97.95925	0.3
98.95610	0.9
102.77187	0.3
123.61230	0.3
191.01714	0.3
267.88818	0.3
317.47006	0.3
425.25784	71.4
426.26108	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	425.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62605	0.2
51.24038	0.2
55.13210	0.2
56.99038	0.2
59.01377	0.8
59.10926	0.3
60.33501	0.2
69.27808	2.1
79.95739	3.8
94.88870	0.3
96.96010	100.0
97.95931	0.4
98.95628	0.4
103.95301	0.2
115.18752	0.2
221.25700	0.2
279.10660	0.5
299.07883	0.2
335.32291	0.2
367.56827	0.2
425.25775	61.6
426.26141	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	425.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.3
60.68309	0.3
61.98817	0.8
69.45239	2.4
76.73470	0.3
79.95720	1.8
96.96010	100.0
97.95962	0.6
98.20580	0.6
156.71114	0.3
171.60684	0.3
191.63754	0.3
293.17737	0.4
311.17734	0.3
425.13785	1.5
425.25760	66.9
426.26086	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	425.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.4
79.95744	2.6
83.05016	1.1
96.96010	100.0
97.95922	0.3
115.69935	0.3
142.27106	0.3
160.01657	0.9
175.04001	0.9
177.39175	0.3
343.08206	0.4
425.25800	64.4
426.26105	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	425.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
68.96640	0.9
136.78922	1.0
137.97766	0.8
152.66080	0.8
194.62158	0.8
200.63654	0.9
212.69147	0.9
319.30051	11.1
320.30115	2.0
335.29636	1.4
336.35577	1.2
337.31128	100.0
338.31464	14.0
363.29074	4.7
381.30103	65.7
382.30466	11.5
421.28470	0.9
425.26126	1.3
432.89044	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.3
61.98834	1.3
62.12536	0.6
69.03488	0.6
69.20641	6.0
71.01337	0.6
76.96029	0.6
79.95712	0.7
83.05029	1.3
95.29837	0.6
96.96024	1.2
97.06583	0.7
98.99162	0.7
132.81566	0.6
149.97272	0.6
167.14391	0.6
177.12872	0.8
183.13904	9.0
193.12326	1.0
195.12090	1.3
195.13889	22.8
196.14217	1.7
211.13387	32.0
212.13789	2.7
213.14963	9.6
258.49518	0.6
285.77441	0.8
287.17133	0.8
315.26923	2.9
333.27682	0.7
343.18604	0.6
359.25955	3.1
377.26822	2.9
395.28009	0.6
407.27899	1.7
423.21664	0.6
425.29092	100.0
426.23969	1.2
426.29428	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	425.255
Annotation	2-glyceryl-Prostaglandin H2
Peak:m/z	Relative Intensity
50.08229	1.0
57.03463	1.3
59.01379	65.7
59.91893	1.0
61.37629	1.0
61.98837	1.9
71.01387	4.4
71.53559	1.1
78.78654	1.1
79.34727	1.0
79.95747	3.8
87.70760	1.0
87.99986	1.1
89.02475	1.1
96.96011	100.0
97.06538	1.3
101.02425	2.3
109.37518	1.1
115.00386	1.5
116.27978	1.1
126.30523	1.0
136.77766	1.1
246.22394	1.2
276.86984	1.1
297.03967	1.3
343.08112	1.3
425.25824	65.4
426.26291	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	425.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.4
61.98829	2.9
65.41591	0.2
69.03471	0.2
69.36459	0.2
71.52840	0.2
71.53202	0.2
78.95913	1.0
79.95735	20.5
80.96503	0.4
85.02957	0.2
96.96009	100.0
97.93086	0.3
97.95949	0.5
98.90709	0.3
98.95592	1.9
98.96445	0.4
99.04514	0.3
100.34241	0.2
104.64098	0.2
113.92633	0.3
114.93403	0.3
121.47459	0.2
123.04569	0.2
177.02234	0.7
204.79585	0.2
211.13391	0.2
265.07635	0.3
267.09125	0.2
305.54688	0.2
310.17728	0.2
327.21848	0.6
328.09912	0.2
425.12741	1.3
425.16446	1.9
425.25763	60.9
426.12402	0.3
426.17093	0.4
426.26089	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	425.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.5
59.01378	100.0
59.33961	0.5
60.01731	1.2
61.98806	0.9
69.48618	4.2
71.01375	3.4
73.02950	1.5
77.64273	0.5
85.02975	2.3
98.20625	1.1
101.02458	1.4
111.92352	0.6
113.02455	1.2
125.06160	0.7
138.40210	0.6
159.19965	0.5
159.77904	0.7
161.04591	1.5
165.99001	0.5
223.55971	0.6
240.55133	0.5
247.80750	0.5
296.04617	0.5
425.19995	1.6
425.27557	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35771	0.7
55.25880	0.7
57.03452	2.7
59.01377	100.0
60.01720	1.1
61.98833	1.4
63.41870	0.7
69.28729	7.1
71.01381	4.3
73.02946	0.9
79.95737	0.9
83.01414	1.0
83.05061	1.1
85.02947	2.2
89.02468	1.0
91.26972	0.7
96.96043	1.6
98.19902	1.2
101.02460	2.1
109.06580	1.5
113.02487	1.3
122.03745	0.9
133.02750	0.8
135.04538	0.9
148.70602	0.8
157.92355	0.8
161.04572	1.7
183.13997	1.7
195.13957	1.7
211.13438	3.2
248.14040	1.0
337.25729	0.7
381.24451	1.8
383.24542	1.9
425.29208	6.8
426.29364	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01709	1.0
64.20247	0.9
71.00359	1.9
71.00710	1.5
71.01388	4.2
73.02938	1.4
79.39261	1.0
83.05032	1.1
85.02975	1.9
96.96028	1.5
98.25951	0.8
101.02437	2.2
113.02450	1.5
161.04507	1.6
183.13942	2.1
195.13824	4.1
211.13391	6.5
212.13542	0.9
213.15041	2.0
220.19597	0.9
276.67270	0.9
381.24765	1.0
411.19949	1.0
425.29086	22.4
426.29401	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	425.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66841	0.8
55.67642	0.7
59.01379	100.0
60.01709	1.5
61.98843	1.0
66.34793	0.6
69.46777	4.5
70.14377	0.7
70.69437	0.7
71.01393	0.7
74.99088	1.5
85.02950	21.7
90.72150	0.6
91.52640	0.6
93.03467	1.8
96.96036	3.4
99.04530	5.4
99.25629	0.7
99.95761	0.6
102.98643	0.7
119.30273	0.6
135.04504	3.3
135.31937	0.6
173.04604	1.1
176.04002	9.9
176.54219	2.1
179.03514	4.3
191.05627	7.6
192.05920	0.9
202.06117	0.7
226.22278	0.7
266.90259	0.7
272.91321	0.7
295.10187	2.4
323.34021	0.9
417.24655	0.7
425.18625	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	425.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99848	0.4
56.44188	0.5
59.01379	29.3
61.98827	10.9
70.71029	1.1
74.13423	0.5
96.96026	2.6
132.00171	0.5
148.05298	16.1
149.05681	1.0
180.04276	12.6
181.04597	0.9
191.05637	1.0
203.10762	100.0
204.11084	8.1
251.12766	0.9
379.91312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1816
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
57.03428	1.5
59.01380	24.2
61.45517	0.9
61.98849	2.6
71.01394	6.3
73.02950	1.5
79.95737	13.2
83.01385	2.0
85.02944	4.2
87.00888	1.1
89.02444	1.9
93.03455	1.8
95.95234	1.6
96.96011	65.1
97.91386	0.9
98.20685	2.4
98.95605	3.6
99.00906	1.3
101.02441	4.7
102.05611	8.9
102.98615	3.0
103.05988	2.0
109.02978	2.2
111.04543	2.2
113.02460	3.5
115.92053	1.5
116.73520	1.1
121.06618	2.5
122.03764	8.2
128.03522	6.7
129.03896	2.2
129.35045	1.0
134.03728	5.2
135.04535	12.0
136.05354	2.5
137.61810	1.3
146.04613	20.6
147.04977	6.6
148.05312	8.7
149.06090	52.8
150.06889	18.2
151.07654	10.0
161.04599	3.3
162.06853	2.0
163.07635	5.7
164.04845	3.8
165.05524	2.3
167.10777	3.2
175.07674	3.0
176.04068	1.2
177.09163	1.3
179.10681	1.1
181.03275	1.6
189.09203	1.6
191.05740	1.9
191.10918	2.4
203.10788	4.6
204.11539	10.7
205.12283	5.3
217.12482	1.2
218.11397	1.8
218.13109	91.5
219.13875	100.0
220.14191	9.8
221.06412	3.1
221.11835	8.0
223.13448	2.3
233.11844	7.3
245.11823	1.6
251.12866	2.9
261.14999	2.3
262.12198	1.6
263.12875	50.3
264.13284	3.8
269.09903	1.0
295.10040	6.7
297.11700	5.1
381.19244	1.9
408.91113	1.2
425.05154	7.9
425.18231	66.9
426.18546	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	425.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
59.01378	100.0
73.02971	0.8
79.95724	1.2
83.05024	2.0
85.02943	12.4
87.04530	4.6
93.03463	7.1
96.96016	7.3
99.04527	2.3
100.30894	0.8
111.04526	4.1
135.04518	1.2
135.11841	0.9
137.02477	1.9
138.97017	0.8
149.06047	2.6
155.03499	2.7
163.60783	1.0
173.04539	1.6
173.23323	0.9
176.04070	1.5
180.02480	5.3
181.03247	3.0
187.07635	1.0
193.06947	1.0
203.10765	4.8
207.13954	2.3
209.11899	1.8
221.06334	1.5
223.41347	0.8
237.05887	1.0
241.00166	1.0
247.09789	4.5
251.12773	1.2
269.13937	17.8
270.14154	1.2
295.10071	47.5
296.10492	4.5
425.14029	1.9
425.18802	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	425.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08359	0.2
51.68397	0.2
51.80453	0.3
54.99388	0.3
59.01379	1.6
65.03960	0.5
70.14201	1.1
71.01382	0.3
73.02941	0.4
75.89962	0.2
79.95716	1.3
80.96541	0.3
85.02960	1.8
93.03457	67.2
93.30720	0.3
94.03790	2.5
96.96011	1.6
109.23956	0.2
122.11681	0.3
135.04482	0.3
137.02441	100.0
138.02773	4.1
191.05592	0.5
213.54893	0.3
241.71982	0.3
295.10049	0.4
317.62982	0.3
328.10031	0.4
425.15109	1.2
437.29312	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.8
59.01377	71.1
60.01754	2.0
61.98833	30.6
67.01891	3.0
69.03461	2.9
71.01389	10.0
73.02953	3.7
74.14529	1.8
74.99097	3.3
79.95737	44.1
80.96523	5.7
85.02949	16.0
87.04515	4.2
93.03461	16.2
96.96028	9.7
97.06583	2.2
98.95580	1.9
99.04521	100.0
100.04825	3.4
100.90934	2.0
101.02448	3.4
101.04313	5.4
102.98602	4.8
109.02927	3.1
111.04498	5.1
113.02480	3.3
118.98024	2.4
119.04998	2.4
121.06580	5.1
123.04464	2.2
129.03822	6.4
135.04512	9.8
137.02419	4.3
147.04773	4.9
147.08165	8.6
148.05284	9.1
152.19571	2.0
157.06563	5.8
159.04544	2.4
159.08145	8.9
161.02440	2.0
173.04555	32.4
173.05978	2.0
175.07605	2.1
176.04015	35.7
176.54150	6.2
179.03476	9.7
179.07124	2.4
179.10814	2.6
180.04285	12.6
183.08150	3.6
185.06117	2.8
189.12839	9.2
191.05606	43.7
192.05902	3.4
195.08174	3.3
201.09190	8.9
202.09602	2.3
203.07050	3.6
203.10765	72.4
204.11095	8.0
207.13799	2.7
213.09184	14.2
215.10794	3.4
221.08170	2.8
231.10225	10.8
233.11818	3.5
245.11821	2.2
245.31659	2.2
250.68556	2.1
251.12900	3.8
263.12689	4.1
277.10953	14.6
295.10025	4.1
314.17993	2.1
325.12848	4.2
328.09808	2.3
335.05499	2.1
372.21606	2.0
425.16919	18.4
426.17075	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	424.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76186	2.9
59.01379	21.1
60.01721	3.8
61.98822	13.8
63.36963	3.2
63.87704	4.1
66.04192	3.5
69.11185	3.3
69.42243	25.3
79.95766	3.8
96.96015	100.0
99.04527	9.3
100.04848	7.8
101.04923	4.2
118.80618	3.3
173.75172	4.6
242.16156	3.1
243.28154	3.2
246.94969	3.5
313.03262	4.3
328.05719	6.9
343.08307	7.1
408.36047	4.2
425.25845	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	424.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36446	0.9
59.01366	5.8
61.09318	0.9
61.98828	100.0
65.42450	1.0
70.48070	2.0
70.48432	2.1
71.01376	3.4
79.95724	2.8
80.23160	1.2
83.07037	1.0
96.96011	43.0
99.04544	1.0
114.23331	1.0
115.00336	1.5
115.45642	1.1
121.64638	1.0
131.81931	1.0
134.94373	1.1
148.05275	1.3
363.21741	1.5
364.22079	6.3
383.18549	1.1
424.24429	2.8
425.12866	2.0
425.20609	1.4
425.25833	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	425.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.1
61.98822	1.2
63.20377	1.1
71.52831	1.2
74.59312	0.9
80.91679	1.9
96.96031	2.4
117.03431	4.8
120.42658	1.1
149.39987	0.9
159.92006	1.0
177.99065	3.7
179.97005	1.1
185.02388	1.6
186.03235	5.5
192.03578	1.1
193.01430	11.8
214.02661	3.1
225.42612	0.9
230.18192	1.1
242.02132	2.4
267.02863	2.1
270.01614	12.4
295.02414	3.9
298.01166	34.3
299.01553	2.9
313.03537	80.7
314.03967	7.7
328.05902	31.6
328.09625	2.0
329.06226	2.0
343.08215	100.0
344.08490	10.7
425.25461	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	425.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.0
61.98830	2.7
69.97322	4.5
78.53931	1.0
79.95734	3.9
80.96529	4.2
81.03503	1.6
83.05010	1.9
87.18964	1.1
91.12098	1.1
96.96009	33.4
101.02461	1.1
107.23615	1.1
111.18584	1.0
111.53705	1.1
117.03458	1.7
121.02949	1.8
124.99419	1.2
125.02459	3.1
152.01012	1.1
154.24521	1.2
157.06602	7.3
170.03751	3.3
173.06065	12.9
184.05307	2.3
185.06030	4.5
198.03203	16.8
203.07098	4.2
203.10681	1.6
213.05573	3.7
214.02658	2.8
226.02724	15.2
229.05060	4.2
241.05069	18.4
242.05508	1.2
270.01651	2.5
298.01129	7.7
299.01489	1.3
313.03537	64.2
314.03864	5.9
327.05127	1.4
328.05939	68.2
328.09787	12.6
329.06165	7.4
343.08194	100.0
344.08533	12.9
425.16693	1.7
425.25806	23.3
426.25598	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2748
Annotation	alpha-Phocaecholic acid
Peak:m/z	Relative Intensity
57.03449	13.7
64.23351	0.6
69.27815	1.5
69.28213	4.9
73.31628	0.7
81.03456	62.0
82.03785	1.4
83.01385	2.4
107.03834	0.7
117.85303	0.6
125.02447	100.0
126.02797	4.0
193.22102	0.6
277.25342	8.6
291.23416	0.8
297.24359	21.4
298.24765	2.2
319.26349	3.1
321.24368	1.1
337.27600	5.5
343.26529	1.5
361.27524	7.5
362.28027	0.8
379.28561	3.9
405.26477	18.4
406.26843	2.5
423.27548	12.5
424.28030	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	423.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02155	5.6
53.55008	4.3
56.63657	5.0
58.59032	5.0
59.01380	100.0
59.11777	4.8
59.69081	4.5
70.53444	14.5
72.67014	5.5
117.89674	4.8
134.53584	5.0
163.54556	5.3
166.62544	4.8
187.13161	6.0
219.17719	5.1
227.58881	5.1
265.45654	4.5
337.27765	7.7
416.88947	4.9
423.26987	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	423.3115
Annotation	Mycaperoxide F methyl ester
Peak:m/z	Relative Intensity
57.03448	21.8
65.04339	0.6
69.25229	5.6
81.03457	65.9
82.03780	1.9
83.01384	6.6
86.08152	0.6
98.20706	1.1
125.02447	53.0
126.02788	1.6
127.21591	0.6
138.28697	0.5
151.68393	0.6
288.78052	0.7
297.28061	1.0
321.27838	0.8
337.31265	1.6
365.26917	0.7
379.32242	1.0
381.30161	1.2
423.31149	100.0
424.26025	1.2
424.31491	16.2
430.35681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.4
61.98829	100.0
69.24814	0.4
69.46130	2.5
69.46539	0.9
78.63929	0.4
79.67718	0.4
84.81911	0.4
85.02979	0.4
89.46758	0.4
93.03470	1.6
96.95961	0.7
96.96897	0.4
111.04525	1.1
136.30792	0.5
155.03545	1.0
207.13927	0.9
209.11806	0.7
269.13931	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	424.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28696	1.2
59.01380	5.7
61.98818	3.6
71.52680	1.8
71.54237	1.0
71.84863	1.0
79.95734	10.8
93.03419	1.2
96.96011	100.0
98.95607	2.4
99.04523	2.5
141.13994	1.1
164.31746	1.0
184.82074	1.1
295.45065	1.2
320.15579	1.5
419.38040	1.3
424.24594	11.9
425.12518	16.6
425.25659	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	423.1788
Annotation	DIHYDROMUNDULETONE
Peak:m/z	Relative Intensity
51.19655	5.6
59.01363	13.1
81.40005	5.7
90.67236	5.7
96.95980	12.4
118.98056	10.6
119.30262	5.8
148.15685	6.1
167.14638	5.7
172.19185	6.1
191.05812	8.5
261.06219	9.0
423.17892	100.0
424.18103	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	423.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75470	13.0
59.01381	77.8
59.10537	16.0
61.98817	40.5
63.67381	12.7
67.38528	12.6
71.01385	38.2
71.51588	12.1
79.95742	37.3
85.02941	16.5
87.00901	16.7
87.69221	11.9
89.02438	28.4
93.03444	19.2
96.96014	100.0
104.18676	15.8
113.02432	15.8
118.98083	37.4
140.01114	18.8
191.05611	37.0
231.05090	35.0
283.87155	12.2
320.05725	17.7
360.70239	15.4
371.58255	17.1
423.08578	27.1
423.17981	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95165	11.9
58.47741	11.9
59.01365	27.8
59.02992	11.1
69.30788	100.0
71.44624	10.9
72.54233	13.6
96.95992	47.9
118.98082	28.3
128.88741	14.2
185.49246	12.6
231.05014	16.2
243.36392	13.9
315.35086	13.3
423.09375	13.6
423.17560	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2386
Annotation	Dendronpholide P
Peak:m/z	Relative Intensity
59.01378	100.0
60.01706	1.4
60.04627	0.6
61.98834	1.0
71.01385	2.1
72.99308	0.6
73.02951	0.8
73.08752	0.7
85.02950	1.0
89.02482	2.7
96.96017	2.8
98.20646	1.8
101.02436	1.9
107.53408	0.6
112.96586	0.6
113.02452	1.2
119.03549	1.0
161.04536	0.7
162.30511	0.7
343.03922	0.6
363.21750	1.3
366.97385	0.8
390.75250	0.8
423.24783	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	423.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01717	1.3
69.48028	2.3
69.48433	0.7
71.01390	1.8
73.02947	0.7
85.02966	0.7
89.02436	0.8
101.02450	0.6
101.06068	3.3
102.65547	0.5
113.02499	0.5
161.04541	0.8
313.08014	0.4
363.21793	0.9
381.22913	0.5
436.74442	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
63.41030	0.3
69.48856	2.1
78.95904	14.1
82.54151	0.4
89.27853	0.4
89.58247	0.4
94.99003	0.4
104.97453	0.6
110.98530	11.0
123.49139	0.3
125.02308	0.3
137.00093	0.7
152.99586	0.4
158.32652	0.4
167.01140	10.8
167.45277	0.4
185.02235	3.1
255.23282	100.0
256.23618	9.1
293.79477	0.4
411.74686	0.4
423.25153	16.0
424.25623	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	423.1655
Annotation	8-Acetylneosolaniol
Peak:m/z	Relative Intensity
53.96651	0.9
56.78936	1.0
57.03455	1.2
59.01376	19.0
60.38116	1.0
69.03448	1.8
71.01383	5.1
72.99283	1.0
73.02943	4.2
74.03874	1.1
83.01112	6.1
85.02953	4.5
87.00876	2.9
95.05038	1.1
96.96024	1.3
97.99837	2.6
98.20657	2.7
99.04520	66.7
100.04873	1.2
100.54597	1.0
101.02415	2.1
101.74927	1.1
106.04254	5.9
107.04984	1.3
108.61847	1.0
113.02454	2.2
119.05102	1.2
123.04487	1.6
133.06573	1.5
135.04489	1.3
137.06091	1.3
138.03188	1.5
148.05249	2.2
149.04526	3.5
157.06511	1.4
161.06166	1.0
161.09724	27.6
162.10074	2.4
163.04005	3.8
163.11325	1.3
171.02802	1.9
173.06102	1.0
175.11333	2.6
177.80704	1.1
180.04271	1.9
187.11208	6.6
191.05598	2.8
191.10750	3.9
193.08607	1.1
199.11214	2.0
201.09239	1.6
203.10698	4.8
205.12096	1.8
209.11824	3.7
217.08745	6.2
219.10226	22.5
231.10075	17.1
232.10493	1.9
261.11206	1.2
273.11176	2.6
286.40985	1.1
291.09122	1.9
291.12183	17.5
305.10205	1.4
323.11395	4.0
341.12506	1.7
341.16229	1.5
363.14548	6.0
364.14862	1.4
381.15588	9.7
423.16547	100.0
424.16962	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	423.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93524	3.7
56.43702	3.4
59.01106	6.9
59.01378	81.7
60.27457	3.5
61.98817	8.4
68.03049	3.6
69.17377	4.3
71.01390	10.7
71.52505	5.8
72.32345	3.8
72.99304	9.3
79.95735	13.6
80.96495	4.6
85.02947	16.7
87.00874	10.7
93.03450	7.0
95.76953	4.0
96.28806	3.7
96.96006	36.7
99.04521	100.0
100.00414	3.7
100.04896	4.4
161.09671	4.9
164.04744	10.9
173.04495	7.9
191.05620	12.7
203.10704	18.8
219.10246	17.9
231.10204	10.8
247.09698	22.5
249.11084	4.3
338.25208	4.0
353.43311	4.1
423.16110	12.4
423.23990	25.7
424.24261	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	423.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	58.7
61.98825	15.3
63.57138	9.2
64.04600	9.1
67.43427	8.5
69.96916	38.3
71.01377	25.2
74.99104	11.8
87.00846	8.8
89.02434	23.8
96.95967	19.8
97.06577	11.6
101.02419	20.0
113.02420	9.7
118.98061	100.0
138.09096	9.4
151.75829	9.1
159.06642	23.1
191.05629	17.2
218.15659	8.7
303.13574	11.3
423.17709	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	421.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37375	0.3
57.03441	1.9
67.01866	0.5
69.03455	1.2
69.35819	2.9
70.64873	0.3
80.96500	0.7
81.03456	0.9
83.01352	0.3
83.05020	1.1
85.06488	0.4
93.03471	0.4
95.05044	0.6
97.06586	0.8
170.06740	0.4
265.25348	0.5
293.28564	2.0
307.29977	0.5
309.31546	0.9
319.29819	1.5
321.28036	0.4
333.31604	3.7
334.31802	0.5
337.31079	7.7
338.31351	1.3
343.29993	0.8
347.33206	1.2
349.34790	1.0
359.33124	1.0
361.31088	2.3
362.31375	0.5
375.32669	1.3
376.33072	0.4
377.34207	33.9
378.34564	5.7
379.32199	5.5
380.32578	0.9
421.33203	100.0
422.33548	18.3
436.50232	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	20.3
61.98828	6.4
71.52895	2.8
79.95720	2.8
92.01988	2.2
96.17088	2.1
96.96009	100.0
99.04533	3.9
135.17326	2.0
200.66277	2.3
227.98900	2.4
314.00690	4.0
329.02930	9.9
344.05460	2.3
359.07864	10.2
363.21744	6.5
393.22955	4.5
422.23029	3.0
423.24252	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24149	0.6
59.01384	7.9
61.98830	100.0
70.59242	1.4
70.59576	0.8
71.01386	1.9
79.73566	0.6
83.01411	0.6
85.02969	1.0
94.72863	0.6
96.95998	1.6
113.02472	1.2
113.84167	0.7
128.07240	0.6
172.81070	0.7
183.58757	0.7
185.67673	0.7
189.40788	0.7
279.10742	1.4
286.49213	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1593
Annotation	Riccardin B
Peak:m/z	Relative Intensity
57.97561	1.6
59.01376	5.2
64.26336	0.8
71.53895	1.0
71.58218	0.9
79.95719	2.1
80.96503	1.1
84.47384	1.0
85.02960	0.8
87.04502	2.9
96.96001	12.8
97.04053	4.6
100.00406	3.8
110.26077	0.9
115.89906	1.0
159.92404	0.9
167.05402	2.3
172.07686	2.5
177.02560	1.3
178.03333	1.3
179.04051	1.2
179.05424	1.1
180.04852	1.3
182.06454	1.1
191.05650	1.1
192.04800	1.5
198.09349	1.0
200.10826	3.0
204.04845	3.5
205.05618	1.6
206.06432	6.9
208.07928	1.5
218.06575	1.0
220.07970	2.1
223.07875	2.1
234.09537	4.6
235.83218	1.0
237.04614	2.2
238.09058	1.7
248.07611	1.3
262.09021	1.5
281.12164	1.4
283.13730	12.8
284.14127	1.2
288.16068	4.1
289.16605	1.4
296.13239	11.4
297.13678	1.1
298.14725	2.4
304.13696	4.1
306.11703	2.5
308.13217	3.2
320.13171	2.5
322.14786	46.8
323.14420	19.0
324.16522	1.7
347.39575	1.0
379.16937	100.0
380.17203	12.6
423.15894	64.8
423.24103	6.2
424.16254	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	421.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.8
59.01380	100.0
60.01706	1.1
61.98854	0.8
67.27280	0.7
69.34785	1.6
69.35202	4.1
71.01391	2.8
73.02943	1.6
85.02934	1.1
89.02477	3.1
96.96025	2.2
101.02449	3.6
113.02486	2.1
118.98112	0.8
120.99680	0.9
147.76671	0.8
161.04648	1.0
164.04791	4.9
171.58517	0.8
172.25166	0.9
179.05811	1.0
179.07108	4.4
245.27553	0.8
277.83203	0.8
289.16299	1.0
341.12753	0.9
361.18365	0.8
421.08487	1.8
421.15649	1.2
421.20795	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	421.223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98810	4.5
68.93661	1.1
69.35412	8.4
71.01376	1.7
72.99297	1.6
75.00865	2.3
85.02971	1.4
89.28819	1.2
96.95997	2.0
99.04514	23.0
101.02435	1.9
105.01933	29.3
148.05283	3.2
163.04045	1.3
163.07674	6.2
256.39233	1.1
315.19635	13.3
316.20038	1.4
333.20691	6.3
341.13861	4.1
346.02426	1.2
393.95618	1.1
403.24774	1.5
421.21954	15.8
422.22711	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03995	0.9
56.10567	0.9
59.01371	1.9
78.95432	1.8
78.95895	37.0
80.96510	1.1
84.24335	0.8
96.96052	1.1
98.20639	4.0
106.22812	1.0
110.98527	54.6
152.99590	4.6
167.01137	12.0
183.01122	0.9
185.02187	100.0
186.02505	1.9
209.22520	0.9
229.89436	1.0
253.21696	29.2
254.21970	3.3
256.97809	1.0
340.20294	1.1
421.23672	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	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02328	1.2
53.94172	1.0
58.03630	1.1
59.01381	1.4
69.54732	5.6
69.55141	1.7
69.79183	1.0
78.95876	1.2
80.96468	1.3
96.96027	1.8
98.19867	1.7
110.98551	1.8
163.11275	100.0
164.11624	5.1
185.02191	3.3
185.23137	1.2
194.56839	1.3
252.05832	1.3
339.20023	2.8
339.23273	54.5
340.23630	8.1
374.04135	1.2
421.32965	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01922	1.5
57.03441	1.5
59.01378	27.0
60.01683	1.5
61.98841	1.9
63.29424	2.0
65.42789	1.4
69.26663	14.8
71.01375	6.6
73.02943	1.6
74.75330	1.5
82.89786	1.5
83.05017	1.6
85.02939	1.7
87.00878	2.6
89.02459	2.8
96.96006	16.4
101.02429	5.0
113.02475	2.9
148.57315	1.8
153.77588	1.5
162.05595	2.1
163.03986	2.4
164.04787	100.0
165.05157	6.0
179.07133	87.9
180.07512	4.8
195.06604	2.3
195.49617	1.5
195.84621	1.5
206.04616	2.0
241.00208	18.0
243.12366	4.6
245.17558	2.7
285.29895	1.7
289.16403	5.2
310.89032	1.6
341.12387	9.3
381.94061	1.8
421.07953	32.6
421.16083	3.2
421.20740	6.0
422.08716	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	421.187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	46.0
61.98824	1.4
69.59491	1.7
69.59915	2.8
69.65042	0.6
72.73740	0.7
96.96030	1.4
99.04518	100.0
100.04852	3.1
168.03552	0.7
207.13846	1.2
233.15471	1.2
403.24957	2.0
421.26291	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.50515	6.4
62.64442	6.9
70.71536	15.9
78.87170	6.9
80.29352	6.6
85.38279	8.0
93.03461	14.5
99.04517	74.4
99.94188	7.2
103.84877	7.5
118.19922	7.9
153.53416	8.0
159.78380	7.0
173.04532	11.2
209.29012	7.4
349.95178	7.5
367.70319	7.7
405.19202	7.6
421.14899	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	421.187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01731	1.5
64.35619	0.7
69.48426	4.3
96.96022	2.6
98.19878	0.8
99.04519	4.2
131.29358	0.7
131.66414	0.7
142.98112	1.7
153.39955	0.7
163.76530	0.7
240.43425	0.7
373.35812	0.7
421.22626	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46618	3.2
58.58055	3.4
59.01376	16.9
69.34424	28.8
96.96019	16.3
98.20720	6.5
99.04520	100.0
100.00414	6.0
115.76883	3.3
154.61514	3.2
161.06052	5.4
161.09933	3.3
189.05515	5.9
201.09213	9.6
203.10768	7.7
213.09242	5.0
215.00720	3.3
229.08736	18.8
231.10265	59.1
233.11807	11.1
245.08238	9.2
246.09760	4.5
257.08118	5.9
275.09320	7.8
320.13098	4.8
377.15295	14.1
378.16223	3.8
421.14212	10.3
421.22598	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	421.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.27549	0.6
60.79139	0.6
67.01891	0.7
70.39632	0.6
71.01402	0.7
75.42214	0.5
80.46590	0.7
85.02956	11.8
98.19846	1.3
99.04506	0.9
117.28721	0.6
137.85609	0.6
140.98291	3.5
143.05063	1.2
145.06635	0.6
149.06102	0.7
154.99870	1.1
157.06598	1.0
159.08194	1.9
161.06107	2.2
170.99457	0.9
171.04411	0.7
171.08180	2.0
173.00984	2.1
173.06049	0.9
177.05550	0.7
183.08234	1.1
185.09750	0.7
186.06802	0.7
195.08116	0.8
198.06807	0.9
201.09200	5.4
213.09235	4.0
215.07129	1.5
229.08640	7.2
231.10249	25.0
232.10593	1.4
245.08177	6.3
257.08261	2.6
275.09137	2.9
421.15009	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.6
59.01384	19.1
69.31139	22.2
69.31548	5.3
71.01351	3.4
96.96003	12.0
99.04517	100.0
99.83999	3.1
100.00424	7.3
100.04866	5.2
111.21328	3.4
134.47066	3.2
159.08066	3.4
161.05966	3.2
183.08162	3.2
201.09207	10.3
203.10695	6.1
213.09201	7.4
215.10736	6.9
228.43658	3.5
229.08681	13.7
231.10249	53.9
232.10573	4.3
233.11804	8.8
245.08134	11.1
246.09569	6.8
257.08414	4.4
275.09164	8.5
320.13211	5.7
335.52466	3.2
377.15390	21.1
378.15591	5.0
421.14221	10.2
421.22708	8.0
422.14810	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	421.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72379	0.4
67.29505	0.3
69.30560	0.3
69.57517	2.1
69.57872	0.3
71.01347	0.5
73.02985	0.3
73.93770	0.3
79.39509	0.3
79.95731	7.7
79.96204	0.4
93.39370	0.3
96.96019	0.8
98.19907	0.7
101.02460	0.4
135.04489	1.8
137.02371	0.3
143.01161	0.3
149.06062	0.3
161.04491	0.5
163.03992	3.6
164.04781	100.0
165.05138	7.0
167.17462	0.3
177.05565	0.7
179.07123	61.7
180.07443	4.2
191.11005	0.3
199.72409	0.3
231.74980	0.3
241.00128	0.3
259.02740	0.8
273.87900	0.3
326.10071	0.7
341.12424	1.5
421.08060	58.7
422.08420	6.4
422.13654	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51881	1.0
57.03459	1.2
57.97549	1.9
59.01367	2.9
71.53854	1.8
73.02966	2.5
74.02473	1.4
88.40986	0.8
96.96022	1.8
97.04078	6.2
99.04524	5.6
100.00401	10.5
172.07634	3.3
173.09764	1.6
190.03246	1.5
197.02788	1.4
204.04819	9.7
205.05351	2.0
205.06970	2.9
206.06175	4.6
207.08478	4.2
212.10823	5.2
213.08994	1.1
218.06406	3.0
220.08031	5.3
230.06432	2.5
231.07115	2.5
231.10258	4.5
232.08025	1.9
237.04651	3.2
244.07944	2.6
246.09546	43.9
247.09711	4.4
248.11165	1.4
262.09091	2.6
268.07596	1.0
269.12927	1.3
276.10739	1.3
280.37180	1.1
290.12177	3.0
294.11630	1.4
302.11966	3.0
303.11819	5.5
306.11636	1.1
320.13220	25.3
321.13403	3.0
377.15366	100.0
378.15567	13.4
421.14368	35.2
422.14594	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	419.2801
Annotation	Diacarperoxide G
Peak:m/z	Relative Intensity
50.09871	0.3
59.01373	1.2
60.44533	0.2
70.63966	0.8
86.94388	0.3
99.30891	0.2
101.06077	0.7
102.05610	1.2
106.96945	0.2
128.03537	0.5
146.04610	1.4
152.99588	0.9
183.62009	0.3
193.46640	0.3
198.36307	0.3
209.11859	0.4
300.60519	0.8
317.21252	0.3
419.27997	100.0
420.28336	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	420.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	12.1
61.98830	100.0
69.49608	60.6
73.09959	8.4
118.33507	7.4
198.36732	8.8
357.26309	14.6
358.62070	8.2
361.50076	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09898	0.4
59.01372	0.4
65.33319	0.3
72.50037	0.3
79.95729	2.0
80.96528	0.8
96.96010	15.1
101.02464	0.9
105.54843	0.3
113.02456	0.5
138.97073	1.1
163.03978	1.0
164.04790	80.3
165.05118	4.5
169.12946	0.3
179.07130	100.0
180.07466	6.6
241.00224	21.3
242.00562	0.9
267.81329	0.4
287.06726	0.4
291.37866	0.3
341.12390	9.8
342.12900	0.8
343.60172	0.3
421.08078	38.2
422.08356	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.0
71.01375	2.6
71.53684	1.0
73.02923	1.0
79.95731	7.0
80.96529	3.9
83.01352	0.8
85.02940	2.8
87.00864	1.9
96.96011	61.1
101.02420	4.1
113.02459	2.3
135.04485	1.1
137.02473	1.1
138.97055	3.1
150.97075	1.4
163.04071	1.5
164.04787	74.3
165.05118	3.7
166.96570	1.5
173.04620	1.1
179.07135	40.1
180.07477	2.9
180.98030	1.3
185.11807	0.8
191.05609	7.1
241.00227	100.0
241.17746	0.8
242.00529	5.5
259.19211	0.8
385.32901	0.8
405.36331	0.8
421.08066	13.2
421.24225	3.3
422.08328	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	419.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27531	1.5
59.01379	66.7
70.05547	5.6
71.01369	1.7
86.36221	1.5
89.02460	2.0
100.98986	1.3
145.01669	1.3
149.04582	3.6
153.27127	1.3
196.50743	1.4
207.13835	3.2
209.11876	5.8
220.35780	1.4
225.14923	5.2
227.12886	41.5
228.13184	3.2
251.12973	2.2
269.14029	12.0
287.14993	100.0
288.15411	9.4
419.19180	21.8
420.19586	2.6
421.71552	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	419.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47398	0.9
59.01379	91.8
60.50325	1.0
60.84399	1.0
61.98830	1.2
64.58192	1.3
67.60423	0.9
69.94325	1.5
69.94721	3.0
84.23616	1.1
87.04515	100.0
96.95999	2.6
99.04534	5.1
139.07655	1.0
173.09695	1.0
215.10771	2.5
338.03918	1.1
400.81332	1.0
419.24353	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	419.2802
Annotation	17-[2-Methylbutyryloxy]-grindelic acid
Peak:m/z	Relative Intensity
52.84044	0.3
59.01369	1.3
61.98811	0.6
64.57815	0.3
69.03450	0.5
69.75453	1.9
71.01392	0.8
83.05027	5.2
94.14964	0.3
95.01385	1.5
98.20631	0.4
98.80756	0.3
99.04560	0.3
101.06069	1.9
229.31966	0.3
257.06680	0.4
285.53439	0.3
289.21646	0.4
321.28000	1.3
357.28043	0.4
366.47015	0.4
375.29053	5.3
376.29337	1.1
419.28006	100.0
420.28323	17.1
420.33987	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.28
Annotation	17-[2-Methylbutyryloxy]-grindelic acid
Peak:m/z	Relative Intensity
59.01374	3.9
61.98834	0.7
66.48035	0.5
67.03793	0.6
69.03452	1.3
71.52087	0.8
93.86376	0.6
95.01382	1.3
96.96014	1.0
101.06107	1.1
119.64997	0.6
235.31654	0.7
316.16818	2.0
321.27945	1.9
357.27991	0.9
375.28986	9.9
376.29288	1.8
419.27988	100.0
420.28357	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	419.1711
Annotation	4'-Acetylcnicin
Peak:m/z	Relative Intensity
59.01377	100.0
60.01714	1.4
70.27902	1.4
71.01397	0.4
72.63177	0.3
77.86633	0.3
85.99010	0.4
96.96029	1.4
99.04520	3.9
120.17466	0.3
173.09752	1.5
191.05637	0.4
197.09697	0.3
199.07697	0.4
200.08463	0.3
204.94980	0.3
215.10774	3.1
216.11038	0.5
250.39497	0.3
259.09726	0.7
275.50317	0.3
385.96140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34920	1.2
59.01377	75.2
69.38670	11.1
69.68349	1.3
75.18867	1.3
89.02424	1.9
98.19824	2.7
149.04532	4.6
149.22389	1.4
165.12848	1.6
207.13857	2.3
209.11935	6.8
225.14905	4.4
227.12860	35.4
228.13080	1.8
269.13916	10.1
287.14999	100.0
288.15283	6.8
288.48013	1.3
419.19186	36.1
420.19409	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	419.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69841	0.6
57.03450	0.9
59.01381	75.1
60.01709	0.7
69.47215	4.6
71.01381	1.4
73.02953	0.7
86.95609	0.8
87.00908	1.0
89.02453	1.6
93.03442	0.8
95.05023	0.7
97.06586	0.9
98.19744	0.7
99.04533	2.0
101.02419	1.8
113.02477	0.6
120.04578	0.8
137.02449	0.8
149.04549	4.4
165.12827	1.1
173.48825	0.8
176.03531	0.8
179.42349	0.6
191.05687	1.1
206.04712	0.6
207.13872	3.0
209.11826	6.8
219.10214	2.2
225.15004	4.8
227.12886	39.2
228.13239	2.6
251.12885	1.3
269.13940	9.2
287.15002	100.0
288.15381	9.1
416.06055	0.7
419.10590	2.0
419.13336	1.0
419.19193	19.6
420.19495	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	417.2648
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
59.01369	4.2
61.98822	8.9
71.52357	1.8
75.00848	0.9
81.03448	2.2
83.05013	1.8
88.79045	0.9
101.06067	9.2
115.92078	2.6
286.51477	0.9
307.59235	1.2
315.19672	4.8
317.21191	2.7
373.23828	1.5
402.24585	1.0
402.63385	1.1
417.14001	2.9
417.26407	100.0
418.26828	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	417.2645
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
51.35544	0.4
51.87556	0.4
59.01348	0.5
63.71630	0.4
67.09692	0.4
70.19165	0.4
70.19504	1.8
84.84765	0.4
99.04513	0.6
166.06335	0.4
313.86215	0.4
417.26443	100.0
418.26819	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.322
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98690	3.5
59.01380	100.0
60.97685	3.4
69.41993	25.0
91.36038	4.6
98.20594	8.5
216.09035	3.6
289.05457	15.6
310.55783	3.8
386.23618	4.5
389.39966	4.1
403.51727	4.6
417.21045	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	418.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64121	0.9
58.87502	1.0
59.01357	3.6
60.88908	1.1
61.98827	4.0
71.52641	2.0
81.52606	0.9
95.01366	1.2
99.04475	0.9
134.94769	1.1
168.91223	1.0
203.28929	1.0
270.07190	0.9
283.89307	1.1
317.21124	2.6
375.28873	4.1
418.26764	100.0
419.27441	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01724	1.4
61.98842	1.6
71.52051	0.9
71.52436	0.8
73.54959	0.5
74.82460	0.6
81.60484	0.6
81.63364	0.5
94.98080	0.5
99.04517	6.6
121.02969	6.8
124.79918	0.6
130.39708	0.6
157.06702	0.8
171.08171	0.9
173.09746	2.2
197.09703	0.6
200.08549	0.6
215.10757	4.7
216.11217	0.6
317.21194	1.0
419.24387	2.2
420.27805	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	419.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16677	3.7
59.01382	100.0
66.74599	3.7
70.47993	6.6
70.48360	8.3
92.22455	3.5
99.04518	50.1
105.26467	4.0
116.54900	3.6
163.07623	4.0
185.61929	3.8
213.72795	3.9
215.10733	4.1
234.74681	3.7
243.18358	3.8
329.14087	4.6
375.14078	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	419.1711
Annotation	4'-Acetylcnicin
Peak:m/z	Relative Intensity
58.32636	0.9
59.01379	100.0
61.01841	0.7
61.95757	0.7
62.15234	0.8
70.53005	1.5
81.63954	0.9
99.04514	10.0
112.23860	0.7
121.97906	0.7
130.16995	0.8
164.61539	0.8
187.11307	1.0
197.09677	3.2
215.10753	5.2
241.08698	1.1
259.09775	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.7
61.98830	0.9
64.99313	0.5
66.34834	0.6
69.30859	2.6
69.31282	1.8
70.16521	0.5
84.27753	0.5
85.33981	0.5
91.70203	0.6
99.04515	1.1
101.06056	1.0
224.89450	0.6
238.90448	0.6
317.21466	0.9
335.22354	3.3
417.26462	100.0
418.26813	17.3
418.31058	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61270	0.7
58.43403	0.7
59.01379	100.0
60.01700	1.4
61.62811	0.8
69.32616	4.8
69.33019	1.6
74.97708	0.7
78.00723	0.7
91.86591	0.7
113.38863	0.8
178.65596	0.8
184.56842	0.7
197.15445	0.9
310.44363	0.8
354.74564	0.9
370.53253	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01718	0.9
69.45918	5.6
69.46246	1.3
82.56609	0.7
87.85181	0.9
98.19946	1.6
101.78193	0.7
102.95370	0.7
164.41449	0.8
339.07852	0.8
339.31088	0.7
373.36313	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.2
57.03453	4.9
58.00589	2.7
59.01378	75.1
66.14501	0.7
69.03471	1.5
69.49617	1.2
69.50026	4.0
70.03107	0.9
71.01379	100.0
72.01717	1.3
72.99306	2.3
73.02948	23.0
73.31694	0.8
75.00884	1.3
83.01382	11.3
85.02948	38.4
86.03290	1.6
86.05224	0.8
87.00887	4.3
87.04508	2.5
89.02447	40.4
95.01394	7.3
96.95985	1.1
97.02977	0.9
99.00879	11.1
101.02442	65.0
102.02779	2.3
113.02451	38.0
119.03493	14.3
125.02426	3.0
129.01956	1.1
131.03481	2.3
143.03502	5.8
159.02989	8.3
161.04552	47.7
162.04860	2.0
179.05560	4.7
191.05661	0.9
255.19673	4.3
255.97728	0.8
285.16949	1.6
417.20413	1.6
417.24939	37.9
418.25415	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	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	10.2
59.01382	65.4
60.01718	1.7
60.99296	4.8
61.98822	1.9
66.65151	1.3
67.01897	7.4
69.03458	5.2
71.01385	10.3
71.05011	2.9
71.52417	1.8
73.02936	6.1
81.03432	2.5
83.05003	4.5
85.02951	3.8
87.00881	17.0
89.02454	11.9
93.03461	62.2
94.03779	1.9
97.06570	2.6
99.04504	9.8
101.02437	4.7
107.05005	5.2
109.06560	1.5
111.04527	10.6
112.58954	1.2
113.02448	4.6
115.04021	1.6
119.03427	1.5
123.08167	27.2
129.01932	1.7
137.09685	1.6
139.11227	2.7
143.10741	2.3
149.04565	28.5
155.03487	2.4
163.11295	6.8
163.14865	1.5
167.07097	4.0
173.03146	1.6
173.04549	23.2
181.12308	1.7
183.10260	5.4
191.05582	7.6
199.09764	1.5
204.13406	1.3
207.10283	2.5
223.13307	4.3
225.11217	4.0
226.59145	1.6
237.11287	1.5
237.14955	1.7
241.14413	4.5
243.12317	6.1
267.12308	4.3
285.13467	64.4
285.16916	9.0
286.13718	6.2
286.16782	2.2
357.15448	2.8
381.50391	1.3
417.17545	100.0
418.17941	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	417.2492
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
55.01880	5.7
57.03456	6.0
58.00589	3.3
59.01379	80.2
60.01713	1.3
68.99820	0.6
69.03461	0.8
71.01382	100.0
71.52381	0.7
72.01692	1.4
72.99311	5.2
73.02949	23.8
73.40626	0.5
74.36684	0.4
75.00871	1.9
79.40156	0.5
79.95744	0.6
81.03481	0.6
83.01387	11.4
83.39642	0.5
84.01684	0.5
85.02950	34.7
85.51775	0.5
86.03309	1.1
87.00874	5.5
87.01706	0.4
87.04491	2.3
89.02445	55.8
90.02785	1.0
93.03454	0.9
95.01386	8.5
95.95235	2.1
96.96017	1.3
97.02960	1.6
99.00884	9.9
101.02443	77.1
101.06094	2.0
102.02795	1.6
103.04012	0.5
111.00869	1.2
113.02451	41.2
114.02811	1.3
116.36979	0.4
119.03506	24.1
120.03851	0.6
125.02426	2.5
129.01944	1.7
131.03485	3.5
135.04543	1.1
141.84100	0.5
143.03505	6.9
149.04572	2.0
159.03000	7.1
161.04550	39.1
162.04872	1.2
163.00716	2.3
175.04016	2.9
176.04077	3.2
176.54227	0.8
179.03488	1.2
179.05611	7.3
191.05623	3.5
192.05821	0.6
230.89940	0.5
255.19736	2.8
264.06451	3.5
264.56567	0.8
281.36130	0.5
297.25473	0.5
298.46039	0.5
375.20291	0.7
417.19855	3.1
417.24948	20.7
418.25595	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	417.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	2.9
58.00584	3.5
59.01379	100.0
60.01680	1.4
71.01379	55.9
71.53794	1.6
72.99309	3.7
73.02941	4.0
82.62302	1.2
82.62885	1.2
83.01387	2.9
85.02959	12.6
87.00887	11.8
89.02444	78.7
90.02769	1.3
92.45686	1.1
93.03433	1.5
95.01411	2.1
99.00861	1.4
99.04510	18.6
101.02440	28.9
105.80416	1.2
113.02453	23.9
119.03497	33.5
120.03896	1.1
123.44381	1.5
131.03505	4.0
143.03482	4.5
149.04544	10.0
151.22246	1.2
155.10797	4.4
161.04552	5.4
163.14923	1.2
164.13033	1.1
173.04547	1.4
179.05643	12.1
181.12326	2.0
191.05531	1.9
197.11757	2.2
199.09691	2.6
237.14948	55.7
238.15291	4.7
267.12253	3.5
269.51437	1.3
285.17081	3.9
287.16843	4.6
329.13431	1.6
417.20944	4.5
439.42203	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.7
59.01378	16.1
67.01900	4.9
69.03452	1.2
70.27080	0.5
71.01369	4.8
71.28864	1.1
73.02958	1.6
81.03451	0.7
83.05029	1.6
85.02959	1.8
87.00856	1.1
89.02436	1.1
93.03458	29.7
94.03827	0.9
95.01423	0.6
99.04514	0.7
101.02434	1.7
109.02972	0.9
111.00858	1.2
111.04514	5.4
112.04836	0.6
113.02432	2.0
123.08150	0.8
133.18326	0.6
137.02432	5.9
139.11284	7.1
141.94038	0.5
149.04736	0.7
155.03511	5.9
160.23837	0.6
161.04546	1.6
163.11234	0.5
165.09236	0.7
173.04538	100.0
174.04839	4.1
181.12338	2.4
183.10243	6.5
191.05661	1.0
195.66365	0.5
199.13380	2.5
200.09465	0.6
225.11311	3.6
232.53226	0.6
241.14487	0.9
243.12352	25.8
244.12668	1.8
260.05252	0.6
285.13446	6.0
285.16663	1.0
286.13553	0.7
311.40369	0.6
347.53812	0.6
417.17572	22.2
418.17752	2.9
418.23239	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.6
58.50912	1.0
59.01378	100.0
60.01698	1.3
61.98819	4.7
69.54621	6.7
71.01382	19.0
73.02950	8.0
75.00864	1.2
80.94807	1.3
81.92316	1.1
83.01400	1.8
83.05017	1.4
85.02946	9.0
87.00845	1.2
88.61353	1.0
89.02440	3.3
93.03452	5.0
95.01376	1.7
99.00870	3.2
101.02445	14.2
111.04495	1.4
113.02450	8.4
116.37220	1.0
137.02428	1.5
139.11301	11.2
140.23190	1.1
143.03474	1.4
149.04541	5.1
152.99602	1.7
155.03488	2.1
159.02974	2.7
161.04562	26.8
165.09193	1.8
171.10254	6.6
173.04546	8.7
181.03310	1.5
181.10912	1.2
181.12270	6.7
183.10211	11.8
191.05563	1.8
199.13361	4.4
219.10275	3.3
223.13373	1.8
225.11288	3.1
243.12360	37.4
244.12630	3.2
251.13722	1.3
285.13351	7.3
285.16470	2.0
315.16995	1.1
329.11325	2.0
357.15497	10.9
375.38110	1.2
399.14258	3.9
417.08902	1.5
417.17447	23.5
418.17676	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.7
70.87907	1.3
70.88258	0.6
71.01383	2.4
73.02932	1.2
85.02951	1.5
89.02437	1.6
95.01383	1.3
100.47322	0.5
101.02396	0.7
108.02171	60.0
109.02966	24.6
110.03303	0.9
123.00901	1.4
127.05272	0.6
130.21684	0.5
133.02974	0.7
146.82446	0.6
151.03996	2.5
152.01147	100.0
153.01627	4.5
163.04007	2.4
170.41292	0.5
179.60271	0.6
180.04279	2.0
195.06650	1.7
196.64604	0.5
221.07881	0.5
241.07240	3.5
242.07637	0.6
267.05173	0.8
285.06061	1.3
295.12674	0.8
417.10355	99.9
418.10736	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	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23591	0.2
55.01880	2.6
57.03449	2.3
58.00592	0.9
59.01382	19.9
60.57781	0.3
61.47994	0.3
61.98859	0.5
62.05575	0.3
68.99852	0.3
70.61399	0.3
71.01382	24.2
71.51442	0.4
72.01727	0.5
72.99297	1.4
73.02946	8.9
75.00887	1.1
79.95755	0.4
83.01387	5.8
85.02953	13.4
86.00106	1.0
87.00869	2.0
89.02446	5.2
95.01383	2.1
96.96014	0.5
97.02966	0.9
99.00893	3.5
101.02444	22.4
102.02773	0.6
109.02966	0.4
111.00905	1.3
113.02455	9.4
114.02867	0.3
115.04042	0.3
118.98109	0.3
119.03503	1.8
120.99639	0.6
121.02964	4.6
122.03770	0.4
125.02442	0.7
129.01974	0.6
131.03529	0.4
133.05063	0.3
135.04518	1.0
137.32124	0.3
141.02000	0.3
143.03476	0.6
146.03749	1.2
147.04076	0.8
148.04192	0.3
148.05344	0.4
149.04590	0.4
149.06087	0.7
151.00281	0.3
151.04063	0.3
159.03075	1.3
161.04544	4.3
164.04803	0.6
165.05162	0.4
166.06357	34.6
167.07071	3.5
173.46306	0.2
179.05736	0.4
179.07031	1.4
180.07539	0.6
181.08713	38.9
182.09052	2.9
191.05637	1.0
193.12422	0.8
223.09802	0.6
235.08247	0.6
251.09276	0.6
276.03241	0.3
285.13419	0.4
309.25360	0.3
328.11755	0.4
343.13956	100.0
344.14319	11.7
344.18564	0.6
373.18692	1.3
417.05920	0.3
417.13196	0.4
417.17712	6.2
418.17801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2489
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
50.78603	0.2
59.01365	0.7
64.51076	0.2
69.38898	1.6
69.39305	0.7
78.22019	0.3
90.00688	0.3
99.03906	0.5
99.04518	5.6
132.72711	0.3
172.25644	0.3
271.16980	0.5
315.19547	3.8
316.20212	0.6
318.76865	0.3
333.20673	1.4
415.24887	100.0
416.25211	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	415.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02383	7.1
59.01382	100.0
59.63004	6.9
67.66714	6.2
71.51710	9.5
89.02490	6.7
109.38573	7.2
113.43276	6.8
117.66667	7.0
148.75052	7.3
160.59146	6.7
186.74666	7.1
225.66367	6.5
415.28946	60.5
416.28995	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	415.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54005	0.7
57.03400	0.6
59.01387	3.0
72.99309	30.5
75.00872	23.0
75.01305	1.2
75.37643	0.7
84.71096	0.7
108.23105	0.6
122.56864	0.6
150.00591	0.6
152.99585	0.7
274.42151	0.7
279.23294	2.4
339.32629	1.4
369.34052	0.8
415.34262	100.0
416.34579	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	416.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.0
59.01381	13.3
61.98832	15.0
69.72361	5.8
71.01384	7.4
73.02948	3.0
74.99091	4.1
75.00855	1.4
84.38783	1.0
85.02940	7.8
87.00849	2.8
89.02454	5.3
93.03446	2.8
96.96022	1.6
98.19889	1.6
101.02441	3.7
102.70055	1.0
103.04028	1.0
106.50598	0.9
109.02922	1.2
111.04512	2.8
113.02480	2.2
119.03487	1.7
120.99661	2.4
123.04546	1.2
127.04076	1.0
129.46194	1.1
133.02899	1.0
135.04482	1.0
136.99126	2.8
143.03412	1.2
152.01201	1.5
161.04564	1.4
163.77219	1.0
165.05476	1.0
166.06316	1.0
173.04591	1.5
178.02681	1.1
181.08679	1.9
190.13126	1.0
191.05611	100.0
192.05959	4.4
193.05002	2.0
194.05420	1.3
212.91107	1.1
225.08934	1.0
236.10037	1.5
247.12494	1.0
252.40617	0.9
277.10901	1.0
278.11017	1.2
295.11923	3.7
343.13986	1.4
353.08783	6.5
360.22879	0.9
417.12241	1.0
417.17917	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	415.249
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
53.04460	0.5
59.01385	3.5
59.66022	0.6
71.01417	0.7
82.52138	0.6
84.54131	0.6
89.02451	0.7
93.05911	0.6
94.37189	0.6
96.28113	0.6
99.04509	2.2
123.61708	0.7
180.43317	0.7
212.47673	0.5
215.25253	0.6
315.19601	5.4
316.19797	0.7
317.21167	0.6
319.22763	1.8
321.08755	0.6
383.10764	0.6
415.24887	100.0
416.25262	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	415.2489
Annotation	Vibsanin E
Peak:m/z	Relative Intensity
57.11073	0.7
59.01388	6.0
59.58145	0.7
61.98826	2.1
70.57207	2.4
72.83467	0.7
89.02484	0.9
99.04526	6.4
121.66401	0.7
315.19531	3.8
317.21237	2.0
333.20697	19.4
334.21170	2.2
388.36661	0.8
415.24969	100.0
416.25336	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	415.2484
Annotation	Vibsanin E
Peak:m/z	Relative Intensity
50.47894	0.4
59.01386	4.8
61.98833	11.1
69.26360	4.0
71.01364	0.8
79.63361	0.4
80.44364	0.5
85.02970	0.5
89.02500	0.6
99.04520	15.6
99.05187	0.9
121.02962	3.0
125.09727	1.2
171.10277	1.1
173.04582	0.4
179.03334	0.5
224.82249	0.5
271.17041	0.8
283.05984	0.9
315.19638	20.0
316.19925	3.0
333.20856	1.1
415.24902	100.0
416.25232	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	415.2488
Annotation	Vibsanin E
Peak:m/z	Relative Intensity
58.97911	0.3
59.01374	2.1
61.98803	0.3
69.03458	0.5
71.52053	0.4
85.02952	0.4
89.02441	0.4
95.60296	0.4
96.96033	0.3
97.02947	1.9
98.03255	0.3
99.04518	13.6
101.02423	0.4
102.06183	0.3
109.73806	0.3
115.04005	2.7
184.65562	0.3
299.19980	2.0
315.19629	21.5
316.19955	2.4
317.21179	4.3
318.21600	0.7
328.84247	0.3
415.24884	100.0
416.25195	17.4
417.11734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2489
Annotation	Macrolactin M
Peak:m/z	Relative Intensity
59.01377	2.1
70.47861	1.3
71.05042	0.6
83.04989	0.4
87.41190	0.4
99.04514	11.3
100.04855	0.4
101.02469	0.4
101.06075	0.6
115.04002	1.4
181.44434	0.5
269.18896	0.9
287.20126	1.8
299.20197	0.8
315.19632	4.6
316.19937	1.1
317.21176	4.6
318.21460	0.5
333.20697	1.9
397.23984	0.5
415.24878	100.0
416.25220	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	415.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.9
60.99324	1.8
77.63097	0.5
83.04567	0.5
83.05054	1.6
99.04516	24.1
100.04872	0.6
125.72056	0.5
132.43930	0.6
157.58702	0.5
158.55893	0.5
230.03999	0.8
230.06235	0.8
271.20679	2.2
281.06757	0.5
285.18604	2.9
286.19244	1.5
303.19662	11.2
304.19897	1.2
341.24854	0.8
385.23825	86.6
386.19205	1.0
386.24155	14.5
415.24860	100.0
416.25171	16.3
429.22607	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	415.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
57.03445	2.5
58.00590	4.6
59.01379	100.0
60.01702	0.8
63.32120	0.4
69.03460	2.0
70.33904	0.4
71.01382	66.5
71.05027	0.6
71.52268	0.5
71.52666	0.5
72.01738	1.2
72.99310	6.0
73.02947	4.7
73.12983	0.4
74.08535	0.4
83.01386	3.8
85.02950	14.4
87.00867	3.6
89.02444	79.2
90.02776	1.3
90.44768	0.4
95.01392	5.0
96.96030	1.0
97.02965	0.4
99.00882	1.5
99.04481	0.5
101.02444	39.4
102.02787	0.6
109.80379	0.4
113.02448	28.1
114.02814	0.8
119.03500	34.8
120.03886	1.3
125.02423	0.8
125.09665	0.6
131.03522	3.7
131.45129	0.4
143.03510	4.7
149.04521	3.0
159.02988	0.5
161.04538	6.5
179.05606	9.4
180.05997	0.6
191.05647	0.6
253.17969	0.5
283.15549	4.7
284.15652	0.5
291.80807	0.5
370.26175	0.5
373.18741	0.6
415.11444	0.6
415.18689	1.0
415.24005	5.2
416.23929	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.249
Annotation	Vibsanin E
Peak:m/z	Relative Intensity
69.92298	0.9
69.92711	1.7
80.57734	0.6
99.04522	13.0
109.36218	0.6
129.80084	0.5
133.69501	0.5
206.67189	0.6
212.48024	0.6
270.13101	0.6
315.19781	4.2
316.20285	0.9
333.20633	3.7
415.24881	100.0
416.25229	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	415.2488
Annotation	Vibsanin T
Peak:m/z	Relative Intensity
54.55041	0.4
55.43033	0.4
59.01376	0.9
69.94372	0.6
69.94714	1.8
71.01374	0.6
73.60640	0.4
89.02458	0.7
99.04517	72.3
100.04855	1.6
101.02428	0.7
180.56648	0.4
227.90245	0.5
297.36359	0.4
302.57663	0.5
315.19620	100.0
316.19965	15.1
317.21213	3.1
415.14917	0.8
415.19427	1.1
415.24896	19.3
416.25229	4.3
433.19623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62682	5.9
59.01377	100.0
61.98830	10.2
69.21024	58.3
71.01385	16.7
80.03880	5.5
81.17432	6.0
83.05059	6.5
85.02974	7.1
87.29428	6.3
93.03453	8.7
96.37173	5.8
96.95990	5.6
99.00857	9.1
113.02439	7.4
147.51450	5.9
170.47206	6.1
181.73772	5.9
183.94244	5.7
193.08722	6.6
212.36223	5.5
333.20804	7.1
409.75681	6.4
415.25162	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	415.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62120	0.5
59.01387	4.1
70.10873	0.7
70.29221	2.1
71.01381	0.7
71.53928	0.7
74.99092	6.2
75.00866	0.7
77.00663	67.6
97.19192	0.5
98.19989	0.9
99.04532	1.0
147.08167	1.8
149.09688	1.8
152.99553	1.1
161.09731	1.1
163.11281	2.4
165.02908	0.6
187.11295	2.0
279.13992	1.0
279.23297	3.7
280.14624	1.4
280.70020	0.6
309.22195	1.7
311.58231	0.5
337.21713	100.0
338.22061	14.4
415.23679	14.9
415.31158	1.6
416.23807	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	415.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
55.11107	0.5
57.03449	3.1
58.00586	4.2
59.01380	100.0
60.01724	1.6
69.03456	1.4
71.01384	69.4
71.05027	2.7
71.52405	0.9
72.01714	1.4
72.99306	3.5
73.02946	5.9
81.03461	0.8
83.01390	4.2
84.01733	0.7
85.02954	15.5
85.75778	0.6
87.00893	5.0
87.04476	0.6
89.02446	76.8
90.02776	0.9
93.03475	0.9
95.01400	4.3
95.05045	0.8
96.96009	1.7
97.02946	0.7
97.06573	1.0
99.00880	2.6
99.04516	2.4
101.02444	41.6
107.03366	0.7
109.06585	1.5
111.00872	0.7
111.04504	0.8
113.02454	31.3
113.03262	1.5
114.02775	1.6
119.03503	31.9
120.03867	0.6
123.08135	0.6
125.02441	0.6
129.01997	0.6
131.03522	3.4
143.03500	5.0
149.04546	4.3
151.11168	0.6
154.30487	0.6
159.02968	1.2
161.03285	0.6
161.04546	8.2
179.05612	9.0
183.10181	2.2
191.05560	1.5
203.14301	0.7
239.12785	1.2
239.16530	0.7
253.17989	0.7
283.15475	7.6
284.15805	0.9
297.69510	0.6
325.43771	0.6
373.18463	1.4
386.73920	0.6
415.15088	1.3
415.19159	4.0
415.23206	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.7
57.34140	1.6
59.01377	100.0
61.17976	1.3
61.98822	14.5
65.28973	1.4
69.03460	4.0
69.36814	11.7
71.01392	3.5
73.02943	5.9
80.02666	1.9
96.95975	2.0
99.04526	3.7
109.06546	1.7
121.06613	1.7
131.03511	2.2
140.20668	1.3
146.09769	1.3
149.04533	3.3
161.13290	1.5
164.67532	1.3
171.04468	1.9
171.11780	2.3
189.12871	5.0
191.10788	2.7
207.13899	36.1
208.14166	3.4
227.10756	4.6
251.12869	10.8
283.15491	99.9
284.15866	9.6
285.15381	1.8
298.97650	1.8
360.80637	1.8
415.19617	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	415.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	62.8
61.98832	68.3
63.63938	12.2
69.52661	100.0
71.01364	15.3
80.81577	11.3
94.47633	12.2
99.04489	17.8
99.45052	13.3
128.22348	11.7
143.91553	12.2
283.19028	14.5
315.19565	27.3
327.19754	21.1
360.76163	15.3
415.20599	20.3
415.25470	21.5
416.16599	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.9
57.03440	3.6
58.00587	3.4
59.01379	100.0
60.01721	2.3
61.98826	1.3
67.01891	1.6
67.05549	1.2
69.03449	3.5
69.46388	5.5
69.46796	2.1
70.87513	1.0
71.01381	49.7
71.04976	1.3
72.99315	3.6
73.02943	5.4
83.01385	3.6
83.05027	2.5
85.02956	17.2
87.00871	3.8
87.04521	6.5
89.02444	46.0
93.03455	4.7
95.01376	5.3
95.05003	2.1
97.06613	1.9
99.00893	3.3
99.04472	1.1
101.02453	24.3
102.02773	1.3
107.08664	4.8
109.06578	4.2
113.02441	31.1
114.02784	1.2
119.03491	16.7
119.08627	1.9
131.03474	1.7
135.04500	2.6
135.08098	1.6
138.73686	1.1
143.03471	3.2
149.04538	3.0
151.03967	3.7
161.04535	2.6
161.13370	14.5
173.04610	1.6
173.13322	11.9
179.05615	2.1
191.05634	4.8
191.14423	5.4
203.14438	6.7
205.12256	1.8
217.12285	2.3
221.15419	2.8
235.13391	54.9
236.13721	4.7
248.29022	1.2
253.14481	3.5
275.10504	1.6
283.12332	2.0
283.15479	19.8
284.15976	2.2
305.83600	1.1
400.11337	2.2
415.14871	2.0
415.19632	21.9
416.20029	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	415.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.1
57.03448	16.0
57.97943	1.7
59.01377	35.3
59.03075	2.1
69.03453	4.6
70.17318	2.4
70.17663	6.0
71.01391	15.3
71.05010	3.5
72.99299	2.7
73.02952	5.7
74.99093	1.9
79.05516	2.0
81.03461	5.7
83.01357	1.8
83.04993	1.6
84.02182	1.9
85.02952	10.3
87.00856	3.1
89.02449	11.8
91.05526	2.3
93.03467	6.4
95.01423	1.9
95.05043	3.3
96.95995	1.9
97.02953	2.2
97.06577	5.3
99.04543	10.6
101.02423	8.9
107.05034	15.1
109.02959	2.4
109.06586	65.4
110.03774	3.4
111.04546	2.0
111.08166	22.7
112.08552	2.2
113.02443	9.4
113.06080	2.3
113.32879	1.7
119.03468	2.7
124.29973	1.5
125.06072	14.2
127.07648	6.0
131.03474	3.7
133.06601	22.3
134.03749	3.1
135.04498	7.0
135.12738	1.8
135.98413	1.7
136.99193	2.0
146.43944	1.9
147.08266	1.7
148.05344	4.1
149.04599	8.1
149.06062	5.5
149.09770	1.9
151.07640	50.4
152.07986	2.1
161.04553	4.3
167.10744	1.9
173.04512	3.7
185.13359	6.2
191.05617	6.2
192.04326	2.8
193.05019	16.4
203.14400	7.5
205.12320	2.6
237.05452	2.2
239.12843	3.3
239.16505	14.8
283.12140	6.2
283.15479	100.0
284.15793	10.5
295.06381	2.9
325.10703	2.8
355.11301	3.7
415.19791	87.3
416.20081	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	415.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40457	0.6
59.01378	100.0
60.01703	1.7
69.44469	3.4
71.01388	2.0
85.02953	0.6
89.02414	1.0
98.20609	0.9
103.42638	0.6
110.44212	0.6
113.02451	1.0
136.37329	0.6
148.04832	0.6
174.93752	0.6
175.05161	0.6
205.78041	0.6
212.23241	0.6
340.72604	0.6
373.22586	1.2
411.44043	0.7
415.17810	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64263	0.9
57.03434	1.0
59.01381	100.0
60.01701	1.0
60.46926	0.9
69.33601	1.1
69.42605	7.4
69.42981	1.7
71.01372	8.6
72.99313	1.1
89.02443	5.6
101.02446	5.1
113.02444	1.5
119.03522	2.3
147.96579	1.0
161.04541	1.8
191.05595	1.5
262.96893	1.0
266.81866	1.0
278.98322	1.0
283.15424	1.6
303.95847	1.0
352.35263	1.0
382.55334	1.0
415.23514	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	415.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35797	2.6
59.01380	98.7
65.23967	2.2
69.48226	17.8
71.01374	17.7
72.89920	2.6
73.02937	5.7
83.01428	2.6
85.02951	7.4
89.02449	8.8
96.96005	14.3
101.02414	11.4
102.98611	3.1
113.02444	5.2
119.03478	3.1
122.30138	2.3
135.11760	4.6
135.71921	3.2
140.60797	2.4
159.02940	3.3
160.32722	2.7
161.04544	5.6
163.04050	12.5
167.14435	3.6
178.06319	11.0
178.80287	2.4
179.03603	2.6
179.05629	3.0
191.05641	3.2
193.08691	23.1
211.13393	100.0
212.13718	6.7
234.99731	2.7
242.67473	2.5
283.15506	3.9
415.18439	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	415.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.2
57.03454	4.2
57.40618	0.6
58.00599	0.9
59.01379	90.8
60.01719	1.6
64.77460	0.6
69.03467	0.9
71.01381	31.6
72.99305	2.0
73.02946	12.5
74.02477	3.8
74.99103	2.1
83.01398	6.6
85.02948	14.1
86.00105	1.6
87.00870	2.9
89.02442	12.6
95.01397	2.6
97.02938	1.2
99.00854	3.2
101.02444	24.0
102.02769	0.7
102.98612	0.8
113.02447	14.2
119.03484	5.0
125.02415	0.7
131.03552	0.7
135.04501	0.7
143.03484	1.9
153.12840	0.8
159.02966	0.7
161.04597	3.3
163.41835	0.7
165.12836	1.1
179.05580	1.2
191.05577	2.2
193.12309	1.5
211.13356	2.3
229.40306	0.8
273.11224	0.7
283.15494	2.2
284.15054	2.8
289.60657	0.9
329.19522	1.7
355.17615	12.5
356.17825	1.2
373.18646	31.2
374.18964	4.3
415.19656	100.0
416.19980	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	415.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.2
59.01382	2.6
61.00800	0.2
61.98825	0.3
69.80447	0.6
71.01383	3.1
72.99315	0.3
73.02946	0.9
74.99099	1.3
83.01397	0.3
85.02964	1.1
87.00867	0.4
89.02450	1.6
93.03450	0.3
95.01430	0.2
96.00904	0.1
96.96047	0.2
99.00872	0.3
101.02441	1.6
108.02187	0.3
113.02455	1.1
119.03513	0.4
119.05017	0.3
120.99651	0.4
121.02998	0.2
131.05054	0.3
133.05072	0.3
134.03764	0.3
135.04526	2.3
136.99159	1.2
145.02936	1.9
146.03738	58.9
146.88599	0.2
147.04236	3.2
148.04999	0.2
149.06044	0.3
151.07652	0.2
159.02974	0.2
161.06075	18.2
162.03127	0.2
162.06445	1.2
163.04005	2.0
164.04793	40.8
165.05110	2.3
177.05647	0.2
179.07137	100.0
180.07475	6.5
180.66275	0.2
189.12814	0.2
191.05602	0.4
193.05043	0.2
253.14268	0.2
277.10822	1.0
281.11597	0.3
283.12378	0.2
283.15494	0.2
397.21100	0.3
415.15915	0.9
416.16064	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.0
57.03443	6.7
58.00605	2.6
59.01379	89.5
68.58472	1.6
69.03449	5.7
69.26833	1.7
71.01382	37.2
71.05022	2.0
71.13480	1.7
71.52108	2.5
72.99297	2.6
73.02942	11.9
79.63782	1.5
83.01389	6.3
83.05009	3.8
85.02950	24.7
87.00887	9.6
89.02445	16.7
93.03463	5.0
95.01387	3.6
97.02972	3.0
99.00878	6.8
99.04519	3.1
101.02438	24.6
108.02162	3.4
111.00861	3.0
113.02448	21.2
118.35792	2.0
119.03521	4.2
119.59865	1.8
121.06557	2.6
123.04560	2.9
125.02400	3.8
125.09713	1.8
130.08710	1.7
135.03012	1.8
135.04463	2.2
137.02443	3.9
147.03047	3.2
149.04570	5.5
149.06020	1.9
151.04018	4.2
152.04825	3.2
159.02939	1.8
161.04570	4.3
163.04002	10.2
165.05489	2.6
173.04491	3.3
178.06380	1.7
181.05083	22.8
182.05504	2.1
190.25517	1.8
191.05595	12.2
193.05125	3.3
196.07399	28.6
196.29317	1.7
197.08000	2.4
203.14394	4.0
210.05438	1.9
211.09760	37.3
212.10158	3.5
225.07643	3.0
238.08490	2.1
239.16785	2.2
283.12122	2.6
283.15479	30.2
284.15747	3.9
325.09219	2.4
340.11652	6.8
355.13995	71.3
356.14224	10.1
358.12753	3.8
373.14981	100.0
374.15350	10.3
415.14670	3.5
415.20102	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	415.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.3
57.03456	0.2
59.01376	2.6
61.98812	0.2
70.54900	0.1
71.01380	3.5
71.51503	0.1
71.51896	0.2
72.01756	0.1
72.99307	0.4
73.02949	0.8
74.99092	1.0
83.01393	0.5
85.02951	1.3
87.00866	0.3
87.10687	0.2
89.02441	1.5
93.03464	0.4
95.01373	0.4
96.96049	0.3
98.02468	0.3
99.00877	0.4
101.02445	1.8
108.02148	0.4
109.03040	0.2
113.02430	1.2
115.08756	0.3
119.03503	0.5
119.05068	0.3
120.99667	0.2
121.02959	0.2
128.03568	0.2
130.08752	0.2
133.06589	0.2
135.04517	2.5
136.99147	0.9
137.02409	0.2
145.02957	2.3
146.03734	60.0
147.04068	3.5
149.06068	0.3
151.07620	0.2
159.02960	0.2
161.04637	1.3
161.06067	17.7
162.06421	1.1
163.04007	2.1
164.04787	40.2
165.05112	2.3
179.07132	100.0
180.07460	6.3
184.90114	0.1
189.12833	0.2
191.05653	0.4
235.08412	0.2
277.10809	0.9
278.11081	0.2
281.11432	0.4
283.15540	0.2
397.20883	0.3
415.15924	0.7
416.16119	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.9
56.70650	0.9
57.03433	2.0
58.00586	4.3
59.01379	100.0
60.01722	1.0
60.06347	0.9
64.80517	0.8
68.99815	0.9
69.03434	3.8
69.18362	6.1
69.18783	2.4
71.01380	72.8
72.01740	1.1
72.99306	5.3
73.02937	7.7
77.34151	0.8
81.03460	2.0
83.01383	6.7
85.02950	15.6
87.00878	14.3
89.02444	87.1
90.02792	1.5
91.04019	1.1
95.01351	4.8
97.02939	6.7
99.00864	3.1
101.02441	60.1
102.02824	1.2
103.00368	1.3
104.59157	0.9
111.00806	1.1
113.02448	26.3
115.92062	2.2
119.03499	24.7
125.02434	13.8
131.03456	4.3
139.03981	1.3
143.03511	6.9
149.04530	2.4
161.04556	11.0
179.05608	22.7
180.05972	1.3
180.35936	0.8
184.48563	1.1
185.04527	2.7
208.45137	0.9
221.06631	6.7
235.08212	11.8
253.09254	10.6
263.07678	5.3
287.07669	1.6
305.09012	1.3
396.01233	1.0
415.14578	84.4
415.24902	2.5
416.14850	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	415.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84542	1.5
58.35102	1.7
59.01378	100.0
60.47766	1.8
60.61014	1.8
69.39101	1.7
69.66469	10.6
71.01373	6.4
72.67928	1.8
85.02908	2.2
89.02455	3.7
98.20628	3.2
101.02420	2.5
119.03490	3.0
192.13925	1.9
202.36436	1.7
231.22133	1.7
245.59328	1.7
280.82446	1.8
289.62509	1.7
366.14249	2.0
366.18948	1.7
385.02701	1.7
393.57208	1.9
415.19302	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	415.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00606	0.9
59.01379	100.0
60.01706	1.3
61.10663	0.5
69.33561	4.0
71.01384	12.8
72.99306	0.8
73.02947	3.3
83.01414	1.5
85.02948	4.1
87.00871	1.1
89.02441	11.4
95.01412	0.8
99.00888	1.4
101.02447	9.0
102.98650	0.6
106.66703	0.6
113.02442	6.5
119.03512	5.7
135.04555	1.4
161.04556	4.7
162.04776	0.7
163.04004	13.4
163.05255	1.1
178.06355	14.2
179.05518	1.2
191.05574	1.0
193.08696	20.1
193.12209	0.7
194.09041	1.5
211.06302	0.8
283.15640	1.0
305.97653	0.7
312.61578	0.7
415.23590	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	415.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.3
59.01381	100.0
71.01385	10.6
71.05024	1.6
73.02943	3.3
84.52538	0.9
85.02937	4.3
89.02439	5.8
97.06605	1.5
99.00879	1.8
101.02438	6.9
109.98364	0.9
113.02445	4.3
119.03491	2.3
120.97963	0.9
135.04526	1.9
143.03438	1.1
149.04573	8.0
161.04517	4.6
163.04025	13.4
164.04431	1.3
178.06366	11.8
179.05534	1.0
193.08711	19.6
194.08998	1.4
203.14333	0.9
209.26563	0.9
239.16443	2.3
253.09236	0.9
373.18777	1.7
415.19623	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	413.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.6
58.99590	3.0
59.01378	100.0
60.01730	1.3
60.73228	1.0
69.03387	0.8
69.35652	5.4
69.36073	1.8
71.01377	9.3
72.99288	1.1
73.02940	2.6
80.96517	2.0
83.01380	1.1
85.02944	4.7
87.00855	2.2
89.02434	6.2
96.96006	2.1
99.00813	1.2
101.02445	8.0
101.16863	1.0
102.97959	1.0
102.98598	14.1
110.97570	1.0
113.02448	5.3
119.03470	2.5
144.31281	0.9
149.04578	1.0
161.04601	2.2
163.80589	0.8
204.53474	1.0
227.29555	0.9
235.31311	1.0
237.14754	1.0
281.13922	2.4
283.13855	1.5
297.11404	1.6
353.19995	1.4
371.20544	2.8
413.17969	2.9
413.22586	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	413.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
68.72977	2.3
70.07098	4.6
70.07472	10.2
88.48618	2.9
101.29089	2.4
165.25803	2.9
196.71458	2.6
266.45007	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	415.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
59.01385	9.2
60.97522	1.0
69.03464	5.6
69.96925	3.2
71.01376	5.4
72.99277	1.3
73.02946	1.5
73.98299	3.3
74.99095	100.0
75.99448	1.1
82.19334	0.9
83.05014	3.5
85.02924	2.4
87.00901	1.2
89.02428	1.2
93.03431	1.2
95.05032	1.0
99.04537	1.7
100.73443	0.9
101.02430	2.0
107.05042	1.6
107.08635	1.2
109.06605	1.9
111.04503	1.6
113.02441	1.7
120.99703	1.1
121.06625	1.5
122.03725	1.3
123.08157	1.5
125.02466	1.1
133.10233	1.6
135.08150	2.7
136.99139	81.3
137.99478	1.5
147.03008	1.7
147.08145	1.3
149.04544	1.4
149.06104	2.0
150.06401	1.0
151.07675	10.8
151.11159	0.8
161.09599	1.0
163.07613	0.9
171.11815	8.0
173.04578	1.0
173.09677	3.2
174.10519	1.2
187.11275	2.3
189.11157	1.6
189.12846	25.9
190.13107	1.8
191.05565	3.4
193.05023	1.3
203.14404	2.1
209.11768	3.8
210.12062	3.7
211.12312	2.4
215.10680	3.4
231.10152	1.0
233.11853	6.9
235.13322	1.0
239.12865	1.2
277.10794	85.4
278.11111	8.3
283.12149	1.8
283.15466	24.2
284.15845	2.1
320.85535	1.0
415.11160	5.9
415.19907	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64339	1.1
57.03403	1.4
57.31173	1.2
57.71862	1.2
59.01377	40.5
66.36139	1.1
69.00226	1.1
71.01382	6.7
71.52485	1.3
73.02951	2.6
80.02670	1.8
83.01406	1.2
85.02934	4.2
87.00865	6.2
89.02431	3.4
93.03437	2.8
96.95967	2.5
99.04513	1.9
101.02433	4.3
113.02390	1.7
117.01885	2.3
121.06590	2.9
125.02422	1.2
147.11771	1.8
161.04552	7.6
179.05594	11.6
189.12856	11.3
207.13890	20.5
208.14249	1.5
233.11743	1.9
251.12865	100.0
252.13138	8.4
281.13885	4.6
281.16675	1.4
358.53033	1.1
413.13077	1.0
413.17953	23.7
414.18399	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	413.1812
Annotation	Dichotomoside E
Peak:m/z	Relative Intensity
55.64339	1.1
57.03403	1.4
57.31173	1.2
57.71862	1.2
59.01377	40.5
66.36139	1.1
69.00226	1.1
71.01382	6.7
71.52485	1.3
73.02951	2.6
80.02670	1.8
83.01406	1.2
85.02934	4.2
87.00865	6.2
89.02431	3.4
93.03437	2.8
96.95967	2.5
99.04513	1.9
101.02433	4.3
113.02390	1.7
117.01885	2.3
121.06590	2.9
125.02422	1.2
147.11771	1.8
161.04552	7.6
179.05594	11.6
189.12856	11.3
207.13890	20.5
208.14249	1.5
233.11743	1.9
251.12865	100.0
252.13138	8.4
281.13885	4.6
281.16675	1.4
358.53033	1.1
413.13077	1.0
413.17953	23.7
414.18399	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	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
58.75777	0.4
59.01381	100.0
60.01714	1.2
69.67148	1.5
69.67560	1.2
70.42895	0.5
71.01379	8.8
73.02955	2.4
83.01395	0.9
85.02954	3.9
89.02461	1.9
95.01428	0.7
98.19839	0.5
99.00919	0.8
101.02444	7.0
102.98634	0.7
103.66850	0.5
106.71198	0.5
113.02452	3.7
125.02507	0.5
148.79024	0.4
159.03012	0.7
161.04515	3.1
209.15518	1.2
251.12991	0.6
262.87878	0.5
353.19464	2.3
371.20743	8.9
371.25043	0.8
372.21133	0.9
413.21960	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37553	0.7
59.01379	5.8
61.98808	0.8
71.01382	4.4
71.51630	0.9
72.97533	1.6
73.02959	0.9
73.13025	0.6
73.46003	0.7
78.95903	2.2
83.01390	1.2
83.05013	0.9
85.02946	2.7
87.00906	0.9
89.02472	1.0
93.03465	2.0
95.05016	0.7
96.96018	6.3
96.96971	2.1
97.02932	1.1
98.95599	6.0
99.00861	0.9
101.02415	1.4
109.02951	1.3
111.77627	0.7
113.02450	2.3
121.03008	0.7
122.03742	35.8
123.04096	1.2
125.02433	5.9
134.03719	2.5
135.57010	0.7
137.02496	1.8
137.06113	0.7
140.67313	0.8
145.05080	1.5
148.10585	0.7
149.02431	0.9
149.04895	1.6
149.06084	21.1
150.06618	1.2
151.07655	4.4
163.07626	2.9
175.04048	1.1
177.09233	1.6
179.10786	0.9
191.10825	4.9
193.08716	1.6
194.09471	3.4
195.10213	3.2
207.10226	4.1
208.11047	29.0
209.11816	100.0
210.12183	7.6
223.09763	2.9
235.13461	1.2
264.22833	0.7
266.15012	0.9
267.15646	1.1
268.15836	1.1
277.00912	0.7
277.10663	1.2
281.13983	1.7
290.05084	0.8
353.15817	1.9
390.44202	0.8
413.13425	9.8
413.18253	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49619	23.7
55.06254	33.9
59.01371	87.4
61.98829	28.6
67.87910	22.6
68.24043	23.7
68.99836	30.8
71.01377	50.2
73.77242	26.5
77.96233	23.1
80.90961	22.5
85.02958	32.2
87.54674	21.3
97.72964	22.3
99.00891	100.0
99.04526	30.7
113.02438	26.6
135.10286	22.3
142.35345	24.0
189.66960	22.0
189.74423	22.8
194.00403	72.8
209.02763	77.1
230.04970	22.0
252.54413	21.6
325.11136	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66596	1.1
54.88432	1.2
57.03448	6.7
59.01381	12.9
61.98840	1.2
69.03455	2.6
70.63510	1.2
70.63828	1.8
71.01394	7.5
72.97500	1.5
72.99297	2.3
73.02953	2.1
78.95905	2.3
83.05029	7.4
85.02954	3.0
87.00895	6.8
89.02445	2.5
93.03448	2.9
95.05003	2.7
96.95993	3.0
96.96976	5.3
97.02946	1.1
98.95628	2.0
99.04501	1.7
101.02451	2.3
104.38466	1.2
111.08154	2.3
113.02510	2.9
118.57089	1.0
119.03528	1.4
121.06597	6.2
122.03749	8.4
123.08167	18.0
125.02415	2.4
137.02452	3.0
137.09726	2.6
139.07654	3.5
149.04642	2.0
149.06079	6.9
151.07623	2.7
153.09204	3.1
171.11807	10.2
177.41911	1.1
189.12836	3.9
191.03564	1.3
191.10864	1.5
193.05275	1.4
201.12825	2.3
207.10301	1.1
207.13895	2.0
208.11032	10.2
209.11819	25.0
210.12041	2.0
228.91570	1.1
233.07956	1.6
237.14857	7.2
257.35379	1.3
281.13943	100.0
282.14291	11.9
353.15945	1.7
413.12720	3.2
413.18076	29.9
414.18381	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	413.137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48170	22.0
53.33628	21.4
69.25439	100.0
69.25854	88.6
70.90284	18.2
78.46410	19.4
79.63779	18.5
99.04505	79.1
170.67902	20.4
217.43283	21.0
233.11897	23.7
250.22032	21.7
366.96848	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01983	4.8
59.01382	64.9
71.01365	22.3
71.07258	9.3
73.02926	8.3
85.02945	10.3
86.09325	4.5
87.04516	9.8
89.02434	16.0
101.02445	22.4
113.02427	7.7
117.91108	4.6
135.08127	8.9
138.77724	4.3
219.17497	4.9
232.38156	5.9
233.15364	10.0
235.13326	11.7
244.97676	4.7
251.16544	82.8
252.16812	8.9
413.13608	10.7
413.21851	100.0
414.22073	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	413.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94889	8.5
58.51792	8.8
59.01384	41.9
61.98834	16.0
64.37052	7.2
70.37921	28.3
71.01379	14.1
85.02948	11.0
96.96030	11.9
99.00879	15.2
99.04524	9.2
108.67291	9.2
141.55116	7.4
178.98062	15.1
194.00432	80.6
195.01010	20.6
209.02792	100.0
209.09540	7.6
210.03165	18.4
276.87357	8.3
307.10150	13.6
325.11072	83.0
326.11304	12.9
400.35529	10.4
401.24490	10.0
413.19333	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	413.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.3
59.01377	44.3
60.01706	1.2
61.98824	15.3
70.89463	2.3
71.01386	10.7
73.02938	3.5
81.59554	1.2
85.02956	2.6
87.00875	69.9
89.02447	9.9
90.18298	1.0
93.03455	2.5
95.01389	1.8
96.96012	3.2
101.02460	6.1
103.27950	1.3
104.02686	4.4
113.02439	3.5
119.03586	2.4
119.05019	47.1
120.05331	2.4
120.99731	1.3
122.03757	2.7
123.72892	1.2
137.02473	2.6
147.04518	10.2
148.01633	9.3
149.04572	1.4
149.06068	2.3
160.43527	1.2
161.04794	1.9
161.06075	14.1
163.04004	78.4
164.04364	3.6
176.01149	64.8
177.01474	4.1
177.05530	2.6
179.05653	3.5
191.03494	100.0
192.03790	6.1
203.07190	3.1
207.10556	1.4
208.11057	3.0
209.11807	8.9
215.07101	4.1
221.08180	2.1
233.04630	1.3
233.08186	5.9
251.09145	2.9
343.10333	22.6
344.10614	1.6
413.10239	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	413.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03608	1.2
59.01367	6.0
59.45540	1.4
61.98838	6.7
70.65113	1.3
70.73258	2.3
71.01379	3.2
89.02464	1.5
96.96009	5.8
97.78095	1.2
98.02463	5.9
101.02446	1.9
105.17155	1.4
108.03915	2.2
108.04565	26.3
118.02991	49.2
119.03326	2.4
120.04507	2.5
132.04471	1.4
134.02490	7.5
134.06142	2.3
135.04416	1.6
136.03998	3.3
137.02455	3.5
142.01495	2.5
144.04555	56.8
145.04910	3.5
155.10687	1.4
162.05612	58.9
163.05968	4.5
188.03529	100.0
189.03845	5.9
189.05420	1.7
206.04517	3.9
207.07703	4.6
233.05766	20.1
234.06131	2.2
251.06885	6.2
251.18980	1.4
275.62473	1.5
289.97290	1.3
350.08716	2.3
377.04996	1.4
413.03308	2.4
413.11978	64.8
414.12222	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	413.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	44.5
63.55022	25.1
69.97283	100.0
86.45190	28.4
96.96012	39.9
99.04527	35.1
103.74952	29.5
164.41962	28.8
193.36662	28.2
194.00435	36.3
209.02699	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64297	2.0
61.98827	100.0
69.20272	16.5
69.20678	4.4
69.49367	2.2
75.82872	2.1
84.81893	2.2
98.19836	3.8
116.69954	2.2
120.73303	2.2
122.97247	2.2
423.54697	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	411.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18329	1.7
50.98262	2.2
57.60131	2.3
59.01364	2.7
65.46208	2.1
70.99963	4.5
71.92075	2.3
78.18916	2.3
78.95898	7.4
89.61456	2.2
112.21249	1.9
146.07547	2.3
152.99564	4.9
207.22643	2.4
321.31635	26.7
322.31845	2.7
367.32144	100.0
368.32361	16.8
411.09354	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18905	0.9
57.03448	1.3
58.09296	0.9
59.01383	2.1
59.60973	1.0
69.03455	1.0
69.18868	9.7
78.95905	3.8
90.12383	0.9
108.44364	0.9
116.97688	0.9
152.99590	4.0
155.00121	1.5
203.79025	1.2
253.98851	1.0
305.28558	1.1
307.30057	23.0
308.30359	2.8
321.31558	15.5
322.32031	1.9
367.32144	100.0
368.32498	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	412.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76324	1.3
59.01377	18.1
61.98806	2.1
69.29586	3.1
69.29999	8.2
71.01369	12.5
72.01696	2.1
73.02944	4.1
79.95736	2.8
80.96498	2.6
83.01366	1.7
85.02940	6.9
86.03262	1.3
89.02438	5.6
91.92696	1.3
93.03465	4.2
95.05022	1.4
96.96009	67.2
97.95945	2.5
98.95578	7.9
99.00864	1.7
99.04520	1.7
101.02437	6.4
113.02437	4.5
121.06564	1.8
122.03731	23.6
123.04073	10.3
134.03723	3.5
135.04489	4.4
136.04874	2.5
137.02464	2.7
148.05330	2.2
149.06090	22.5
150.06441	15.1
150.96948	1.8
151.07365	6.0
152.08015	2.5
161.02480	1.7
161.04541	2.3
162.03220	45.4
162.06790	1.8
163.04059	2.0
163.07597	3.5
164.04729	4.8
164.07973	2.0
176.08456	1.4
177.05560	26.2
177.08847	2.2
179.07193	2.8
179.10686	1.7
180.11102	2.5
181.57228	2.0
190.09457	1.3
194.05760	2.0
209.08176	40.6
219.13824	2.8
220.14246	1.9
231.13959	2.2
232.14284	2.9
241.00206	3.4
242.00670	2.1
248.14104	17.0
249.14723	67.8
250.15274	93.2
251.15631	5.1
252.38252	1.5
281.13904	5.2
365.30185	1.4
412.13586	100.0
413.13409	23.0
413.18011	1.4
413.22217	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	411.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15190	2.1
51.16237	2.2
51.18414	2.2
59.01377	15.5
61.98827	20.7
67.11725	1.9
68.20222	2.0
71.01389	3.5
71.52393	2.0
71.52867	3.1
72.99294	4.7
75.00872	53.1
75.30715	2.1
85.03044	2.1
89.02428	6.8
99.04523	5.0
132.02176	3.1
135.02991	53.9
136.98798	4.8
149.06052	2.2
149.40359	2.2
161.02377	2.7
165.99042	2.8
195.13861	3.7
198.03220	3.0
214.02644	8.5
223.13361	5.8
235.16992	2.8
242.02170	5.2
249.14919	3.7
257.00845	6.0
269.00916	5.3
270.01672	21.7
271.02054	3.9
275.20016	12.6
293.21216	100.0
294.21606	11.9
298.01212	51.0
299.01572	6.9
317.21265	49.0
318.21533	8.8
396.08362	24.5
397.09085	3.4
411.10812	55.7
412.11090	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87048	2.2
51.63600	2.3
59.01377	100.0
66.45882	2.2
71.41433	3.0
78.89085	2.5
78.99469	2.2
117.52872	2.5
118.43502	2.3
122.57949	2.7
132.39240	2.4
152.99451	2.5
262.69971	2.5
280.88318	2.5
285.35989	2.3
294.75919	2.8
381.99326	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	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
62.23554	2.5
69.66843	2.8
70.82375	3.3
70.82734	7.7
76.49821	2.8
78.95942	2.7
83.72376	2.6
109.29772	2.5
138.03891	2.6
231.97040	2.8
421.48099	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14544	4.5
57.58746	4.3
57.95622	4.8
59.01366	22.4
61.98828	39.2
68.09319	4.5
71.01399	4.4
71.10544	9.6
72.99306	7.4
75.00862	58.0
86.88261	4.4
89.02480	6.3
99.04536	7.3
99.92584	5.9
116.92838	8.1
121.10233	19.2
122.75829	4.1
132.02180	5.3
135.02992	68.8
171.10263	50.5
213.02742	4.9
214.02719	6.3
235.17036	9.2
248.14110	4.9
249.14799	5.4
270.01819	6.0
275.20154	100.0
276.20514	10.8
293.21225	87.3
294.21475	12.3
298.01175	35.1
298.46756	4.8
317.21109	8.3
366.03748	4.6
396.08527	17.9
411.10712	37.3
412.01410	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09257	0.9
57.03445	2.7
59.01371	0.8
61.98813	0.7
69.03455	1.1
69.49147	5.2
74.51353	0.7
95.25884	0.6
97.02930	1.2
98.19946	1.3
99.04515	1.0
101.06079	100.0
102.06426	2.6
103.10072	0.8
105.07086	1.5
109.02910	1.0
111.00918	1.1
111.04531	1.1
117.07101	1.0
121.06577	1.8
123.04533	1.5
130.55423	0.7
133.06569	1.0
133.78209	0.7
145.06554	2.0
149.06137	0.9
161.09691	3.8
163.07703	0.9
173.09705	1.4
175.07680	0.9
185.09711	4.1
187.07645	1.3
197.09703	5.2
198.10139	0.8
203.10783	17.0
204.11111	1.7
215.10747	3.2
223.07751	0.8
247.09758	13.6
248.10016	1.2
259.09769	2.3
277.10822	1.7
279.12384	3.5
308.90298	0.7
369.17081	0.8
411.11130	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
63.37336	1.4
69.63143	10.1
71.01378	24.1
73.02946	26.2
77.24529	2.2
83.01389	5.0
85.02925	2.3
87.00861	1.6
89.02454	5.7
101.02435	19.8
113.02430	10.4
118.53403	1.5
119.03499	2.5
131.03491	1.8
137.09724	6.7
161.04529	2.9
161.75938	1.4
249.14680	2.0
336.60202	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51357	0.2
54.87056	0.2
55.01884	0.4
57.03447	0.6
59.01377	2.1
61.98838	1.1
69.03471	0.4
71.01384	4.1
71.52277	0.4
72.99327	0.4
73.02940	1.3
79.95737	0.9
80.41275	0.2
80.96530	0.3
81.03481	0.3
83.01389	0.4
83.05061	0.2
85.02955	1.4
87.00871	0.3
88.31528	0.2
89.02463	0.7
95.95257	0.6
96.96011	11.5
99.00889	0.6
101.02444	1.8
102.98611	0.4
107.05038	0.4
109.06634	0.2
113.02460	2.0
121.06602	0.5
122.03739	8.9
123.04041	0.3
124.05299	0.5
125.06110	0.5
133.02937	0.3
134.03745	4.5
135.04536	8.8
135.08217	0.3
136.05276	1.1
137.06067	0.5
139.07639	3.1
147.04552	0.3
148.05307	6.0
148.06465	0.4
149.06079	35.7
150.06877	12.2
150.97034	0.5
151.07584	1.4
159.02982	0.5
159.04559	0.3
161.04573	1.6
161.05850	0.3
162.06841	2.6
163.07652	4.6
164.04807	1.1
164.08023	0.3
165.05620	0.3
168.07904	0.7
175.07648	0.5
176.08484	0.4
177.09178	0.4
187.11288	0.3
189.09233	0.6
191.10814	1.0
195.40730	0.2
196.14310	0.2
197.09567	0.3
201.12787	0.2
204.11577	0.6
205.12299	1.2
213.12910	0.4
215.10716	0.5
216.11525	3.2
217.12086	0.6
219.13870	4.9
220.14301	0.6
231.13890	6.6
232.14218	0.9
233.11826	0.3
234.10458	0.3
234.12553	1.4
235.13226	0.4
241.00319	0.8
247.13480	0.4
248.14165	49.2
249.14932	100.0
250.15276	8.7
279.12433	2.0
291.15915	0.4
299.01974	0.4
300.41748	0.2
314.04318	0.3
336.34918	0.2
350.82788	0.2
411.13208	21.9
412.13354	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	411.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28433	0.4
57.03422	0.4
59.01373	1.4
63.26210	0.3
69.40501	2.7
69.40900	0.9
71.01382	5.9
73.02936	2.1
81.03482	0.5
83.01382	0.5
83.05013	0.8
85.02959	2.6
89.02447	1.0
96.96014	6.4
99.00889	1.0
101.02448	3.7
107.05058	0.7
109.02953	0.6
111.00935	0.4
113.02439	3.5
116.23093	0.4
121.06586	2.0
122.03733	7.1
131.05026	0.5
133.06577	1.2
134.03735	21.0
134.07384	0.3
135.04582	2.5
136.05309	2.7
139.78978	0.4
143.03438	0.5
147.08150	0.6
148.05284	4.7
149.06070	100.0
150.06389	5.2
151.07730	0.5
157.06647	0.4
159.02936	0.7
160.05313	1.0
161.04573	2.9
161.06090	3.7
162.06847	2.4
163.07617	1.0
164.04776	5.0
164.38739	0.4
173.06078	0.7
173.09715	1.0
174.06862	1.1
175.07639	2.6
176.08415	29.2
177.08911	3.0
178.09897	0.5
179.10814	0.6
189.09204	39.7
190.09622	3.5
191.10762	35.5
192.11128	2.6
205.08710	1.6
231.13884	1.3
233.11789	1.3
234.12456	0.6
240.97887	0.4
241.00241	0.8
248.14148	76.4
249.14891	68.2
250.15303	6.5
263.13022	0.5
291.16013	1.6
297.84619	0.4
343.87952	0.5
411.13260	11.0
411.20157	2.2
412.13574	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19687	12.5
64.09563	12.9
65.64091	13.3
71.14651	25.6
80.26064	10.7
86.29570	10.9
96.96011	23.5
120.74702	12.6
142.28387	12.3
151.99063	10.3
238.91022	13.1
279.23212	100.0
388.95541	10.9
411.23859	18.1
414.01440	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	411.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	6.6
59.01383	23.8
61.98805	1.8
68.04352	1.8
69.03430	6.8
69.53703	11.9
71.01015	2.3
71.01385	39.6
73.02953	2.0
79.95712	3.1
81.03425	7.2
83.05024	3.3
85.02934	6.8
89.02415	7.7
93.03419	7.6
95.01375	2.4
95.05024	92.8
96.05356	3.7
96.96019	35.6
97.02956	15.2
97.06593	1.7
99.04520	60.0
101.02413	6.6
101.93782	1.6
107.05009	2.2
108.02136	3.2
109.02953	20.8
109.06599	16.4
110.06806	1.6
111.04505	4.2
113.02428	2.9
113.06054	2.3
119.03469	2.5
121.02961	16.1
121.06528	4.0
122.03725	8.6
123.04492	5.5
123.08161	2.2
125.02422	3.1
133.06575	2.0
135.04544	1.9
137.06081	2.8
139.04025	26.2
139.07579	2.9
141.05576	42.8
141.12157	1.9
147.08141	3.1
149.06035	12.6
150.03160	6.3
151.04041	9.4
153.05540	2.3
159.08064	5.7
161.06071	9.5
162.23669	1.7
166.02667	2.2
167.07089	1.9
169.05031	2.0
173.06084	1.8
173.09750	2.3
175.07553	2.3
176.08333	6.0
177.09088	3.8
183.08095	5.5
187.11198	4.0
189.05598	2.7
189.09175	5.2
191.05603	2.0
191.10693	3.1
201.07680	2.0
201.09201	18.9
203.10732	2.4
205.12256	5.2
206.09482	2.1
207.10130	2.2
219.10271	20.5
221.08162	11.1
222.08287	1.6
231.06592	2.0
231.10162	3.0
231.13751	2.8
235.13243	1.9
237.11310	11.3
241.00166	3.0
247.37547	1.6
248.14149	1.9
249.07692	10.0
249.11183	1.7
249.14894	10.5
261.07678	19.5
263.09235	16.4
265.14157	2.2
266.14810	2.0
279.12418	13.1
281.10297	19.1
311.11356	100.0
312.11734	11.5
411.12997	76.2
411.18616	3.1
411.20734	4.2
412.13306	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	411.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84570	0.8
57.03452	1.2
59.01376	6.1
69.91011	4.2
71.01366	1.5
85.02969	1.0
96.96017	4.0
99.04543	1.3
102.98598	4.1
104.98149	1.4
121.02929	1.1
137.02376	1.1
148.05243	1.4
149.06038	1.1
152.03075	0.9
153.00125	1.3
154.00926	3.5
162.06851	0.8
167.01682	2.0
168.99571	1.1
171.28787	0.8
172.34100	0.9
176.39453	0.7
181.03313	4.4
182.04070	10.2
183.04449	0.9
189.09227	1.7
191.05447	0.9
205.07062	1.2
208.05467	1.2
213.45502	0.8
214.03055	4.6
220.54358	0.9
222.07152	2.3
223.08000	1.2
248.14297	1.1
274.36038	0.8
279.15970	0.9
281.12164	100.0
282.12457	10.8
351.12601	0.9
397.27753	0.8
411.12146	1.0
411.20154	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	411.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86022	0.3
51.18833	0.3
51.28624	0.3
51.59227	0.3
57.03456	0.4
58.99602	15.0
59.01380	3.8
61.98823	1.3
71.28996	0.6
74.99100	3.3
81.41702	0.3
87.00874	1.4
97.06541	0.6
99.04500	1.2
101.06080	4.8
102.98596	100.0
103.99004	1.8
120.99657	16.7
130.95160	0.3
135.08119	0.5
161.09683	0.5
163.00706	9.7
164.53850	0.3
203.10759	1.1
247.09711	0.9
247.13452	0.9
281.12152	2.4
351.12909	0.4
369.13672	2.9
411.14841	9.8
412.15137	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
57.03434	0.3
59.01104	0.4
59.01378	4.4
61.98814	0.9
69.14997	1.4
69.15430	1.6
71.01374	1.8
72.99304	0.6
73.02937	0.8
79.95741	3.3
80.96516	2.1
82.97593	0.3
83.01396	0.4
83.05032	0.4
85.02954	1.4
89.02448	0.4
95.95226	1.4
96.96011	70.0
98.95595	2.2
98.96413	0.4
101.02464	1.8
104.59853	0.3
113.02439	0.6
120.39034	0.3
122.97589	1.3
123.71669	0.3
125.02377	0.4
135.04546	0.4
138.97041	1.7
145.05138	0.5
150.97076	1.0
161.02379	0.4
164.98546	0.5
169.90131	0.3
177.03943	0.8
180.98105	0.8
191.05589	0.5
198.99205	0.3
237.04105	0.3
241.00244	3.1
256.99796	0.7
342.86914	0.3
379.92029	0.3
411.13293	100.0
412.13586	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	411.148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77890	0.6
59.01375	3.2
70.02802	3.4
71.01386	0.7
90.61744	0.7
96.95992	2.5
98.19952	0.8
102.86055	0.7
102.98594	4.0
104.98236	0.9
110.34820	0.8
137.02391	0.9
143.81055	0.6
148.05273	1.3
149.06053	2.0
153.00163	1.4
154.00964	3.9
162.73479	0.8
167.01683	3.0
168.99686	1.0
181.03302	5.1
182.04053	15.7
189.09242	1.1
189.87549	0.6
197.02628	1.0
207.04927	0.9
214.03065	4.2
222.07208	1.6
223.07927	2.7
235.13470	0.8
236.04518	0.7
249.15039	1.2
281.12149	100.0
282.12518	12.0
287.36404	0.7
346.28778	0.8
351.12839	1.9
352.45853	0.8
359.96207	0.8
360.18787	0.7
411.20349	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14104	0.3
59.01382	2.8
61.98829	2.0
71.01374	1.8
72.89258	0.3
73.02930	0.6
78.95893	0.4
79.95743	1.6
80.96527	1.6
83.01374	0.6
85.02953	0.9
89.02451	0.8
93.03451	0.4
96.96012	48.4
97.95916	0.4
98.95613	0.9
101.02430	1.0
107.12206	0.3
122.97564	0.6
137.02455	0.4
138.97090	0.7
150.97072	0.9
180.98181	0.5
197.66516	0.3
212.02805	0.3
241.00226	2.6
263.67404	0.3
267.68964	0.3
283.54459	0.4
303.01126	0.3
313.22751	0.3
411.13287	100.0
412.08185	0.7
412.13602	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	411.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.7
61.98838	0.9
65.01488	0.3
71.01382	1.7
71.51717	0.5
72.99286	0.5
73.02950	1.0
78.95912	0.4
79.95748	3.0
80.06978	0.3
80.96519	1.6
83.01379	0.6
85.02954	1.0
87.00868	0.4
89.02454	0.4
95.95235	1.6
96.96012	75.7
98.95592	2.4
98.96400	0.5
101.02465	1.5
113.02470	0.6
122.97566	1.1
129.28833	0.4
135.62689	0.4
136.04012	0.3
138.97047	2.1
150.97072	1.3
161.02420	0.4
164.98627	0.5
177.03992	0.7
180.98087	1.0
191.05525	0.7
195.55444	0.3
237.04074	0.3
241.00214	3.4
266.15018	0.5
351.20352	0.6
411.13287	100.0
412.13596	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	411.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	35.8
61.98824	30.7
70.12692	13.9
70.84052	26.2
70.84391	17.0
88.50388	11.5
91.85620	13.0
95.32298	14.9
99.04489	31.7
101.06086	100.0
115.32007	14.8
203.10680	17.2
249.14961	27.0
253.22675	14.7
411.10474	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	411.133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.5
57.03436	0.7
59.01384	4.2
64.34663	0.3
69.03432	0.4
69.58168	1.0
69.58580	1.1
71.01385	4.0
72.99324	0.5
73.02943	0.4
79.95743	2.9
80.96530	1.4
83.01421	0.7
83.05023	0.4
84.59571	0.3
85.02950	2.4
88.23520	0.3
89.02445	1.3
95.01397	0.5
95.05044	0.7
95.95226	1.6
96.96012	53.4
97.02956	0.4
97.06608	0.4
99.00862	0.4
101.02456	2.1
109.06583	0.4
111.00877	0.4
113.02445	1.1
119.03510	0.5
121.06602	0.4
122.03752	3.5
122.97570	0.8
129.23456	0.3
134.03790	0.5
138.97078	1.1
145.05031	0.9
147.08189	0.4
149.06088	4.3
149.21942	0.3
150.06660	0.3
150.97041	1.3
162.06889	0.3
176.08180	0.3
177.09114	0.8
180.98184	1.1
187.07672	0.5
189.09225	0.7
191.05559	0.4
191.10892	0.6
207.10251	0.4
217.12323	0.8
231.13916	0.7
241.00197	3.4
248.14240	0.5
248.99924	0.3
249.14838	0.5
265.14459	1.5
266.15213	10.4
267.15915	4.3
268.16592	0.5
279.12341	1.6
293.17612	1.2
307.57364	0.4
411.13275	100.0
411.19577	4.1
412.13580	12.8
412.19022	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17726	6.2
59.01386	10.9
60.47670	6.7
61.98833	25.9
64.04984	6.7
66.58080	6.7
70.98309	11.3
71.01382	9.0
71.69357	7.7
77.88787	6.2
81.46387	6.2
89.88621	7.8
96.95992	11.3
134.97034	7.4
136.80142	6.7
144.00850	6.7
147.04543	14.9
149.02426	29.9
150.03197	46.1
164.04764	17.2
164.07098	19.7
165.05565	100.0
166.05890	10.2
173.00520	6.3
173.02072	6.4
183.62442	8.0
195.06583	43.2
199.74400	7.4
327.10870	40.6
411.14401	14.1
431.28284	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	411.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21708	16.6
52.06768	11.3
69.53505	100.0
69.53842	17.0
86.97551	12.8
96.08595	11.7
98.15103	14.0
102.26327	12.8
102.98597	17.6
137.14999	14.0
152.38120	15.6
190.77426	14.5
221.02277	12.2
236.47594	14.4
300.39722	13.0
303.05048	13.2
387.17780	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	411.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05980	0.2
55.01870	0.3
57.03443	0.4
59.01384	4.0
69.20858	2.2
71.01382	1.7
73.02927	0.6
79.95737	5.5
80.96509	0.9
81.03454	0.2
83.01375	0.3
85.02921	1.1
87.00886	0.3
89.02448	1.1
93.03455	0.5
95.01408	0.2
95.05045	0.4
95.95251	0.4
96.96007	100.0
97.02937	0.6
97.06583	0.3
97.95935	0.3
98.95579	0.7
98.96445	0.2
101.02438	1.5
109.06552	0.3
110.97560	0.3
113.02457	0.6
119.03529	0.4
121.02946	0.3
121.06641	0.3
122.03745	1.2
122.97565	0.9
137.02466	0.4
137.06099	0.3
138.97075	0.6
150.97067	1.1
151.04021	0.5
163.07545	0.4
164.98625	0.3
180.98131	0.7
187.11281	0.6
191.05666	0.9
205.12305	1.0
207.10217	0.3
235.13390	0.3
237.07584	0.6
241.00255	1.7
271.06030	1.5
279.12375	6.4
280.12714	0.5
286.08453	1.1
411.07587	19.2
411.13245	76.8
412.07861	1.9
412.13593	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	410.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39023	1.5
58.79502	1.3
59.01375	34.5
60.01715	2.0
61.98829	100.0
70.69552	3.1
71.01378	7.7
73.02944	5.5
78.56757	1.2
83.01370	2.0
85.02941	2.5
87.00864	1.7
89.02445	3.9
93.03465	1.5
96.96002	36.5
97.06583	1.8
101.02439	8.3
102.98598	3.7
113.02443	2.9
119.03488	1.4
122.03725	3.6
149.04550	1.4
149.06068	5.7
161.04489	2.9
191.05618	3.5
207.08673	1.5
213.71606	1.5
241.00270	2.3
248.14099	4.1
249.14952	12.0
274.02966	1.4
279.12256	1.9
302.46021	1.8
349.64014	1.5
387.76666	1.7
404.73141	1.5
411.13290	62.0
433.18750	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	0.3
59.01376	4.0
61.01830	0.2
61.98830	0.2
71.01385	2.1
71.52161	0.3
73.02943	0.5
79.95737	8.2
80.96522	1.0
85.02956	0.7
87.00863	0.2
89.02448	1.4
93.03476	0.3
95.05048	0.2
95.95226	3.2
96.96010	100.0
97.95922	0.3
98.78718	0.2
98.95602	0.3
101.02420	1.1
108.02197	0.3
110.97581	0.4
113.02454	0.8
119.03488	0.6
119.05045	0.3
122.03748	0.9
122.97564	0.3
131.08539	0.2
135.04501	0.3
136.01654	4.8
138.97034	0.6
141.95836	0.3
144.55573	0.2
147.04527	0.3
149.06126	0.5
150.97078	0.9
151.04018	1.7
151.07622	0.4
151.97765	0.4
162.03168	0.4
177.04065	0.5
177.05554	0.3
177.08752	0.2
180.98036	0.3
187.07620	0.6
187.11230	0.4
199.11124	0.2
206.09593	0.3
207.10234	0.7
208.26723	0.2
231.10252	0.2
232.09743	0.8
233.34671	0.2
241.00151	1.2
249.15033	0.5
256.99683	0.5
265.14090	0.4
271.06192	0.4
279.12332	0.5
284.50858	0.2
286.08417	0.6
301.10764	0.4
411.07532	25.4
411.13266	25.2
411.19479	0.9
412.07843	3.9
412.13620	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	409.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	26.0
59.01369	0.8
62.14435	0.5
66.73439	0.6
69.75015	0.7
69.78331	2.9
78.95895	0.9
81.03455	72.9
82.03787	1.9
82.23177	0.7
83.01383	10.5
90.05408	0.5
99.04514	1.0
100.64613	0.7
125.02446	57.6
125.06070	7.5
126.02769	2.6
152.99568	1.3
164.91454	0.6
226.20090	0.6
274.74948	0.6
283.26413	1.6
323.29572	1.9
347.29156	0.8
351.25311	0.9
365.30447	1.2
367.28540	0.9
409.29550	100.0
410.29910	18.0
411.34573	0.6
422.51563	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02934	0.8
56.06169	0.8
57.03447	24.1
59.01349	1.9
69.93892	3.2
75.90079	0.8
78.95893	1.1
81.03456	83.7
81.64462	0.8
82.03773	2.3
83.01398	8.9
96.88571	0.8
99.04495	1.9
105.85623	0.8
125.02447	64.4
126.02739	2.9
152.99614	1.3
160.75742	0.9
175.95279	0.9
184.07071	1.0
211.92863	0.8
283.26398	2.1
307.26385	1.7
323.29507	1.3
328.22806	0.9
333.31949	1.3
351.25323	2.8
363.32559	3.0
365.30667	1.9
367.28076	1.3
409.29498	100.0
410.29865	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	409.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51117	0.3
57.03431	0.7
59.01384	0.6
69.53728	2.3
74.83120	0.3
77.93876	0.3
79.13013	0.3
81.03464	0.4
81.07098	7.4
82.07455	0.4
83.05056	0.8
87.10319	0.3
92.86188	0.4
97.06614	0.4
99.04531	1.0
105.02771	0.4
125.06084	100.0
126.06413	4.0
164.56169	0.3
211.60083	0.3
223.20657	0.6
255.45689	0.4
281.13400	0.3
283.26413	2.3
284.26816	0.4
299.26010	0.4
301.29105	0.7
303.30606	2.7
317.28461	0.7
331.30222	0.6
333.69577	0.4
345.31573	0.4
347.33087	2.4
379.32214	0.5
391.32159	8.0
392.32315	1.3
409.33234	19.7
410.33603	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	409.223
Annotation	Rhodojaponin II
Peak:m/z	Relative Intensity
52.49436	0.7
59.01381	17.1
61.98844	2.0
70.65202	2.5
71.01393	1.3
83.01418	1.0
83.05035	0.9
96.96037	1.8
99.00906	3.3
99.04529	8.9
101.06076	5.3
129.01949	1.5
148.39882	0.7
191.05702	0.7
203.10719	1.6
223.04054	0.8
233.20848	0.8
238.96016	0.8
247.13358	0.8
266.56403	0.9
275.20270	0.8
279.12402	0.9
281.13943	1.2
291.19489	0.8
303.19751	3.0
305.21259	7.5
319.19208	3.0
349.20392	5.2
350.20377	1.0
373.20319	1.5
391.21249	100.0
392.21579	15.3
409.22287	29.9
410.22418	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	409.2359
Annotation	1-palmitoyl-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
71.29593	0.5
77.58160	0.3
78.95904	70.2
84.56150	0.2
96.96965	5.9
99.04529	0.9
123.38604	0.3
148.94492	0.3
150.98053	1.5
152.99585	100.0
153.99905	1.8
171.00658	2.5
211.47005	0.3
238.84143	0.3
255.23396	2.0
277.21771	1.5
409.23581	12.8
410.23929	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.8
61.06494	1.0
64.16292	0.9
69.03461	1.5
78.95905	33.5
96.96961	3.3
98.20665	2.5
99.04523	3.9
101.06055	6.6
101.27393	1.0
103.00392	1.0
103.83987	0.8
105.38811	0.9
107.83465	0.8
125.02441	0.8
150.98007	1.1
152.99576	56.8
153.99863	1.1
171.00687	2.1
178.18694	0.9
203.10805	0.9
219.02673	0.8
230.01642	0.8
233.74287	0.9
241.21686	3.9
277.21710	100.0
278.22076	10.0
307.19305	1.9
325.18411	1.9
409.23071	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	409.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97869	0.4
57.03447	34.2
58.03774	0.7
58.13707	0.4
63.02397	0.6
65.31165	0.4
67.01888	1.7
69.38551	3.3
78.95897	1.7
81.03453	51.4
82.03796	1.3
83.01383	3.7
83.05023	8.4
92.38034	0.5
95.96902	0.4
98.22704	0.4
99.04517	8.8
107.01380	0.8
107.05022	1.0
125.02440	100.0
125.06052	7.6
126.02779	3.1
143.03473	0.5
146.91681	0.4
151.04037	0.5
152.99561	2.3
165.14592	0.4
190.16142	0.4
239.23813	1.9
265.25415	3.6
325.18210	0.5
365.30402	0.7
368.77509	0.5
409.29565	42.4
410.29959	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	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.3
59.01382	95.1
60.01701	1.4
61.98828	5.6
68.58508	1.1
69.61922	4.9
69.62324	2.4
71.01382	27.5
72.41608	0.9
72.99312	2.7
73.02943	4.7
75.54534	0.9
76.45461	1.0
79.95752	5.2
80.96510	2.3
83.01384	2.2
85.02940	7.6
86.46863	1.0
87.00876	2.1
89.02450	32.0
90.02785	1.5
95.01408	1.2
95.95237	4.3
96.96015	74.0
97.02997	1.0
98.19989	1.7
99.00909	1.4
101.02445	21.4
113.02448	10.6
114.97581	1.0
119.03499	15.1
128.55350	1.0
131.03473	1.8
138.79257	0.9
138.97055	2.5
139.41333	0.9
143.03491	3.6
146.04568	2.1
149.04599	1.4
150.97102	1.9
161.04559	11.1
162.70805	1.2
165.05566	2.2
177.04041	3.1
179.05627	10.8
187.13417	4.6
191.05635	2.9
203.07104	1.3
225.00783	1.1
241.00197	5.3
256.99771	2.9
264.13565	1.7
349.18668	34.6
350.19019	4.0
409.11719	100.0
409.20493	3.5
410.12115	12.2
430.96692	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2227
Annotation	Rhodojaponin II
Peak:m/z	Relative Intensity
59.01378	84.1
60.01729	1.9
62.36324	0.9
70.71012	2.4
83.05019	2.1
92.65663	1.2
99.04504	3.0
113.21910	1.1
116.73846	1.0
178.38557	1.1
237.80035	1.2
275.20166	3.2
291.19687	2.7
302.52228	1.1
303.19656	21.0
304.19888	2.3
305.21228	32.0
306.21417	5.5
319.19092	22.7
320.19476	2.9
323.22128	2.3
331.19128	3.8
349.20172	28.4
350.20517	3.9
373.20251	6.2
381.07391	1.1
391.21237	100.0
392.21539	14.3
403.17667	1.2
409.13455	2.4
409.22299	64.3
410.22662	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	409.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.0
59.01372	0.7
63.39962	0.4
68.88284	0.4
69.03452	0.5
69.52795	1.1
69.53203	1.0
77.01019	0.4
84.67697	0.4
91.05547	0.6
95.05005	0.5
97.02966	1.1
99.04517	100.0
100.04857	3.1
105.07099	0.7
111.04501	1.0
121.06595	1.1
123.04530	0.9
133.06598	1.1
145.06599	1.3
149.06085	0.6
157.06621	0.7
159.08160	0.8
161.06087	0.7
161.09724	3.0
163.07588	0.8
170.07237	0.4
173.09616	0.5
175.07626	0.8
180.43759	0.4
185.09746	3.7
187.07596	0.6
188.08420	0.7
189.05655	0.5
197.09711	3.0
198.10013	0.4
203.10764	13.9
204.11185	1.2
215.10797	2.0
229.08701	0.6
247.09737	9.4
248.10040	1.3
258.85568	0.4
259.09842	2.4
277.10907	1.0
279.12811	2.3
301.99658	0.5
373.04355	0.4
423.07520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.7
69.72619	1.8
69.73022	2.7
71.28351	0.8
75.60903	0.8
76.15244	0.9
97.02929	1.4
98.19900	1.6
99.04517	100.0
100.04850	3.7
143.53848	0.8
145.06560	1.3
161.09714	2.4
185.09723	2.7
187.07645	1.0
191.62169	0.9
197.09744	4.3
203.10780	13.1
209.17949	0.9
215.10789	1.7
247.09691	9.4
259.09702	2.5
279.12366	2.6
392.80087	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01505	1.2
56.98019	1.3
57.03452	12.4
58.99623	1.2
59.01370	4.7
61.58193	1.1
69.30579	10.6
71.01379	4.8
72.95560	1.2
88.66203	1.0
93.03433	1.7
96.96024	10.9
98.20670	1.2
99.04518	100.0
100.04869	3.3
102.98598	11.7
145.06586	4.9
157.06583	5.6
161.09703	1.6
171.08163	4.1
172.08904	2.9
173.09700	10.2
175.07607	1.2
185.06047	1.4
187.07642	1.2
191.05602	1.5
197.09711	7.3
198.09944	1.4
200.08376	1.5
203.10785	9.2
204.07909	7.4
205.08600	3.4
210.78604	1.2
215.10745	45.3
216.11066	3.4
219.13858	1.2
233.11819	8.5
235.13393	1.7
241.08691	1.3
247.13400	4.6
265.14407	6.8
279.10571	3.4
305.89990	1.3
309.13440	3.9
327.14474	1.7
367.86133	1.3
409.19147	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	409.1866
Annotation	Sarcaglaboside A
Peak:m/z	Relative Intensity
53.56969	0.9
57.03444	5.5
58.99594	2.6
59.01381	10.0
68.95232	0.8
71.01376	7.5
73.02932	2.3
75.58888	0.8
77.87610	0.8
80.06870	0.9
80.57057	0.8
81.72746	0.9
83.05024	10.0
85.02947	5.0
87.00858	1.4
89.02443	2.9
93.03434	3.3
96.96007	5.8
97.02932	2.4
97.06578	2.0
99.00858	1.3
99.04494	1.9
101.02457	5.2
101.03004	1.0
102.98596	20.5
109.02961	1.7
111.04532	1.4
113.02428	2.1
120.99664	1.8
121.06570	1.9
122.03741	39.1
123.04619	1.2
130.08591	0.9
134.03731	4.5
135.04527	8.0
136.05309	8.3
137.06068	3.1
148.05228	1.5
149.06075	25.9
150.06859	20.8
151.07646	44.8
152.07921	2.8
154.18919	0.9
159.03104	1.1
159.04419	1.1
159.08138	0.9
161.04568	2.4
162.06854	2.0
163.00636	1.8
163.07640	2.0
164.04741	1.7
165.05553	7.7
173.04524	3.2
174.06886	4.6
175.07491	0.9
176.04071	1.1
176.08415	1.8
177.09225	14.0
189.05600	1.1
189.09216	33.5
190.09491	2.8
191.05615	11.7
203.06960	1.1
215.10735	1.2
219.13867	1.7
228.11560	0.9
229.12376	1.9
231.06590	1.8
233.11771	3.1
242.05113	1.5
246.12579	20.2
247.13379	100.0
248.13715	8.4
261.11310	1.7
388.75946	0.9
409.11365	2.6
409.18561	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	409.1865
Annotation	(+)-Picriside B
Peak:m/z	Relative Intensity
55.01868	1.0
59.01381	15.0
61.01799	0.6
61.98832	5.3
69.03473	0.7
69.83594	2.9
71.01389	9.1
72.99298	1.4
73.02944	4.0
79.95730	2.4
80.96523	1.7
83.01400	1.6
83.05025	2.6
85.02956	5.9
85.06586	9.1
87.00863	1.6
89.02447	1.6
93.03441	1.9
95.05035	0.6
96.96009	64.8
98.20596	1.0
98.95612	1.9
98.96450	0.6
99.00846	0.7
99.04516	0.9
101.02444	5.5
102.05623	1.0
107.89725	0.6
111.08157	0.6
112.08432	0.6
113.02477	3.0
119.03438	0.8
121.06522	0.9
122.03734	29.7
122.97575	1.4
125.02449	1.0
127.03927	0.7
127.05149	0.6
128.03546	1.2
134.03714	2.6
135.04523	3.9
136.05299	2.0
138.97086	0.8
143.03552	0.6
145.06186	2.2
146.04585	1.9
148.05264	1.3
149.06079	14.8
150.06853	5.5
150.97041	1.2
151.07645	13.5
152.07895	0.8
159.02979	0.6
161.04597	1.9
161.06096	2.2
162.06865	13.4
163.07593	3.4
165.05556	1.6
173.04517	1.0
173.05971	0.8
176.08350	1.0
180.04321	0.7
180.98160	1.1
191.05605	22.4
192.05904	1.0
195.06639	1.7
217.05081	0.9
218.22334	0.7
241.00220	4.2
246.12592	11.9
247.13368	53.4
248.13759	5.3
264.13657	1.3
265.14294	1.0
409.11697	100.0
410.12073	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	409.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57354	1.6
55.08099	1.4
57.03450	2.2
59.01372	7.4
61.68605	1.2
61.87312	1.1
71.01369	2.2
71.55909	1.1
93.03455	3.0
96.95986	10.0
99.04517	7.0
102.98584	9.8
109.02934	1.8
121.02953	100.0
122.03275	4.8
133.02925	1.2
145.06522	1.4
168.82477	1.1
173.04494	3.7
191.05608	5.4
203.10834	1.3
243.54561	1.5
279.10617	3.5
316.11533	1.2
400.10886	1.7
409.18713	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	409.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.5
59.01381	60.0
61.98841	11.9
70.22719	4.0
70.23116	6.0
71.01382	27.4
72.99311	2.5
73.02956	15.1
75.00875	2.4
79.95735	3.3
83.01400	4.7
83.85878	2.3
85.02933	11.0
87.00876	3.7
89.02447	14.9
93.03449	4.7
95.95242	2.9
96.96003	48.6
99.00884	7.4
101.02455	23.6
113.02462	8.5
117.03428	3.0
119.03500	5.8
121.02966	3.8
122.03730	10.4
149.02458	13.6
150.03239	70.1
153.03349	2.3
159.02992	2.6
161.04543	5.0
165.05580	100.0
166.05968	3.7
180.04204	2.6
187.02475	5.6
187.09737	3.0
191.05553	4.2
195.06648	38.6
196.06860	3.3
215.02002	6.7
241.00311	2.9
349.15015	85.7
350.15350	6.6
361.12869	4.8
374.25403	2.3
409.11749	72.3
409.16733	4.2
409.20868	9.1
410.12070	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	409.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.3
57.03462	1.8
59.01379	33.3
61.98825	7.1
69.35976	2.4
69.36378	9.3
71.01385	17.2
73.02937	7.1
75.00906	1.6
79.95754	2.3
80.34064	1.2
80.96510	2.4
83.01401	3.0
85.02962	6.7
87.00886	2.1
89.02435	8.1
90.62954	1.3
93.03454	4.2
95.01376	1.6
96.33174	1.3
96.96004	24.7
97.99038	1.4
99.00905	3.2
101.02446	11.0
113.02441	5.8
115.22788	1.5
117.03483	1.7
119.03519	2.2
121.02994	3.7
122.03737	9.0
127.00352	2.8
136.01678	2.0
141.01973	1.4
149.02435	11.7
149.04607	1.5
150.03220	67.5
151.03618	3.0
159.03050	1.8
161.04578	3.7
164.04805	2.6
165.05563	100.0
166.05914	5.7
180.04283	4.9
187.02481	3.2
187.09729	1.6
190.12982	1.6
191.05629	4.0
195.06621	36.8
196.06885	1.8
215.01974	3.8
241.00253	2.5
261.46603	1.2
301.10806	2.2
349.15009	47.0
349.19287	2.6
350.15298	4.9
361.13019	4.5
409.07010	2.5
409.11813	34.7
409.16690	2.9
409.20804	3.9
410.11984	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	409.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14691	0.5
53.66296	0.5
57.03458	0.8
60.20537	0.5
74.05273	0.6
75.75561	0.5
76.39005	0.7
77.51788	0.6
78.29556	0.5
79.95745	3.6
83.05089	0.6
93.03495	0.7
96.96010	16.7
99.04504	5.2
102.98592	2.7
104.45284	0.6
105.07056	0.6
135.04543	0.7
136.05261	1.2
137.06085	0.7
147.04327	0.7
149.06105	1.5
151.02193	0.7
152.03003	1.2
153.00128	1.0
154.00952	2.4
155.01636	0.7
160.05330	0.8
161.06062	2.3
163.02145	0.7
168.99556	0.8
169.20583	0.6
179.01714	3.4
180.02512	4.1
181.03287	6.5
182.04092	3.2
183.04764	1.1
193.03275	1.7
194.04022	6.0
203.10742	1.2
207.04623	0.7
211.13385	0.9
214.03038	1.1
221.06429	5.6
229.08459	0.8
229.14537	0.8
235.13286	1.2
247.09894	1.3
251.10863	0.8
279.10574	100.0
280.10889	10.0
329.23306	1.4
409.13977	1.0
409.19012	12.4
410.19485	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.0
61.98835	0.9
69.54041	1.1
69.54459	2.1
71.01382	2.0
72.99292	0.6
75.00852	0.8
79.95739	3.3
80.96526	1.8
83.01384	0.8
85.02947	1.0
89.02454	1.1
90.59290	0.5
93.03441	0.8
95.95226	3.2
96.96014	72.7
99.00919	0.7
100.41573	0.6
101.02470	1.3
113.02454	0.6
118.92635	0.5
121.02954	1.6
122.03777	2.9
122.97586	0.8
128.31027	0.5
129.01953	0.8
131.73654	0.5
132.02185	0.6
136.01718	0.9
137.02443	0.7
138.97055	5.3
142.11208	0.5
149.02443	14.0
149.03636	0.8
150.03233	23.2
150.97064	0.9
151.03839	1.0
157.01427	0.7
164.04811	3.8
164.98650	0.6
165.05566	39.6
166.05919	1.6
168.98152	0.7
176.01125	0.7
177.04066	4.0
177.67601	0.5
180.04309	1.1
182.02231	0.6
195.06610	7.3
196.07021	0.7
198.99132	3.9
201.01982	0.7
213.07742	0.9
217.03539	0.6
241.00203	2.5
256.99670	3.3
259.01294	1.8
273.06259	1.0
285.07751	1.4
286.08301	2.8
301.10779	5.9
325.06082	1.4
361.12970	14.0
362.13522	1.2
409.11728	100.0
410.12027	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	409.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54644	0.7
59.01379	14.5
61.98832	3.0
70.98177	1.2
71.01379	4.7
73.02958	1.6
75.00839	0.7
78.66727	0.6
79.95737	1.4
80.78460	0.6
80.96532	0.8
83.01340	0.7
85.02956	1.9
89.02422	3.3
93.03472	3.1
95.05035	0.7
95.95221	1.6
96.96009	19.1
99.00852	1.2
101.02437	3.9
102.02868	0.7
108.02280	0.6
113.02452	2.4
117.03487	0.7
119.03519	1.4
120.97630	0.6
121.02924	3.3
122.03739	9.6
123.04532	0.8
130.02144	0.8
135.39522	0.7
136.01685	1.3
137.02460	1.0
138.97037	1.2
149.02429	13.0
150.03227	70.6
151.03537	3.1
159.03009	0.6
161.04550	1.4
164.04776	2.4
165.05565	100.0
166.05898	5.8
179.05463	0.7
180.04289	4.3
187.02502	0.8
191.05643	1.1
195.06616	35.7
196.06926	1.8
198.99152	0.8
213.07652	0.8
215.01930	0.8
215.33516	0.7
227.51949	0.6
232.03645	0.7
241.00163	1.1
259.01355	1.9
261.28143	0.7
286.08514	1.2
289.08377	0.7
296.54346	0.7
301.10828	2.2
349.15045	12.5
349.18985	0.7
350.15363	1.0
361.12866	4.0
409.11951	17.3
409.20572	1.2
410.12262	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	409.127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74596	3.3
54.08597	3.0
59.01377	84.7
61.98837	15.9
69.53667	22.2
71.01376	19.9
71.98815	3.3
73.02939	4.4
73.56217	3.0
75.94664	3.0
78.51219	3.1
79.95735	5.9
80.96492	3.0
83.05051	10.2
85.02982	9.4
87.00838	4.1
87.13771	3.7
89.02443	23.4
96.96014	73.7
98.19913	6.6
99.04540	3.3
101.02436	16.6
101.06084	8.5
106.24156	3.9
113.02454	8.4
113.50518	3.6
119.03513	7.0
145.05029	15.8
149.06050	4.2
161.04602	8.3
165.05713	3.5
191.05569	12.4
194.18230	3.4
238.92380	3.6
247.05984	3.7
247.88887	4.0
277.09396	4.3
349.18329	8.1
409.11844	100.0
409.20422	7.4
409.85406	4.0
410.11893	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	409.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75019	0.4
58.99601	14.9
59.01369	2.6
59.99937	0.4
63.18534	0.3
65.20615	0.3
69.69388	2.2
74.99091	1.7
81.09145	0.3
96.62241	0.3
96.96004	5.2
100.00416	0.4
102.98594	100.0
103.98939	1.6
105.60810	0.4
120.99644	5.0
135.04498	0.4
163.00687	4.1
173.04547	0.5
185.09755	0.8
191.05615	1.0
215.10725	0.9
233.11841	3.7
279.10580	1.6
308.13351	3.2
365.15338	1.4
373.71170	0.5
409.14301	1.1
409.18948	2.3
410.73547	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99516	0.4
57.03400	0.4
58.99603	14.3
59.01374	3.7
69.54832	3.0
69.55209	0.8
71.01395	0.4
73.94847	0.5
74.99095	2.1
83.04996	0.5
85.02958	0.9
96.96021	3.7
99.04517	0.8
102.27545	0.5
102.98591	100.0
103.98945	1.9
113.27892	0.5
120.99655	7.9
121.06583	0.5
123.08155	0.5
126.89325	0.5
134.03763	0.5
151.07690	0.6
163.00713	6.7
173.04535	0.9
177.02101	0.5
191.05537	0.7
196.09575	0.5
233.11818	3.9
245.11861	1.6
279.10620	6.3
280.10959	0.6
284.75143	0.7
329.23462	0.6
349.10889	0.6
366.22919	0.5
409.19049	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.2
68.87004	0.3
69.27698	2.6
71.01376	2.3
72.99282	0.4
73.02960	0.3
75.00880	0.7
79.95733	5.9
80.96519	1.8
83.01418	0.4
85.02956	1.3
86.34448	0.3
87.00874	0.7
89.02440	1.2
95.01351	0.3
95.95236	5.9
96.96011	84.0
97.96001	0.4
98.20614	0.5
101.02451	1.5
102.31894	0.3
111.04597	0.5
113.02432	0.6
114.02850	0.3
122.97574	1.2
138.97069	1.7
149.09711	0.5
150.97061	1.5
164.98633	0.6
167.10738	0.5
168.98178	0.5
177.04045	4.7
180.98087	1.1
184.82523	0.3
191.05566	1.0
191.07156	0.8
198.99207	1.0
213.00688	0.8
222.99049	0.4
225.00699	1.2
241.00250	4.6
256.99722	5.0
264.13651	0.6
341.05316	0.5
349.06155	1.0
349.18515	0.5
353.09012	0.9
368.18103	0.4
409.11725	100.0
410.12076	13.5
421.85696	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49389	2.5
53.42723	3.0
59.01379	100.0
61.98825	22.7
69.37010	12.3
69.37434	12.3
71.01381	24.1
73.02945	5.7
83.05009	12.1
85.02937	9.0
86.95851	3.1
87.00851	2.9
89.02445	25.4
96.96008	29.0
101.02447	14.1
101.06055	5.4
113.02456	10.9
118.78072	3.0
119.03490	7.6
137.02348	2.7
143.00452	2.7
145.05070	19.0
152.76131	2.7
161.04539	3.8
173.04597	3.6
176.03027	2.9
179.05667	7.0
191.05586	16.0
193.33311	3.5
193.98245	2.7
235.81104	2.7
247.25497	2.7
258.74847	3.1
277.09146	5.2
349.18549	10.7
409.11847	37.9
410.12219	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	409.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	8.4
59.13545	1.7
61.98814	5.7
71.01361	4.6
71.50533	2.5
75.94346	1.8
87.00864	2.2
88.95325	1.8
89.02444	2.6
96.96013	7.0
98.65582	1.8
115.00380	2.7
148.01672	18.0
150.03253	9.9
153.05585	19.3
162.11520	1.8
163.04005	26.1
165.05563	11.8
181.05057	34.8
182.05286	2.7
195.06544	3.6
211.06114	100.0
212.06441	5.0
245.69563	1.8
323.83908	1.9
373.01871	2.5
406.56158	2.1
409.11774	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	409.1173
Annotation	Phe-His-OH
Peak:m/z	Relative Intensity
59.01393	2.3
66.73093	0.4
71.01393	1.7
71.27679	0.8
75.00868	0.6
79.95754	2.7
80.96500	1.6
83.01395	0.5
85.02946	0.8
89.02450	0.8
95.95214	1.9
96.96012	69.5
99.00917	0.4
101.02432	0.7
111.86021	0.4
113.02440	0.4
121.76159	0.4
122.97588	0.7
128.63591	0.4
131.21635	0.4
138.97099	4.0
150.03218	1.7
150.97063	1.1
165.05579	2.4
168.58752	0.4
168.98096	0.8
177.04063	3.7
180.98064	0.4
186.90877	0.3
195.06703	0.6
198.99185	4.8
225.00824	0.6
241.00214	2.7
256.99747	2.4
259.01260	1.1
278.58914	0.4
325.05975	2.1
409.11725	100.0
410.12009	12.6
410.17398	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.7
61.98822	0.5
62.61950	0.3
65.50188	0.3
67.70744	0.3
69.85587	0.3
70.38965	1.2
71.01379	3.4
72.99316	0.7
73.02956	0.7
75.00870	1.0
79.95740	5.2
80.96516	1.4
85.02963	1.8
87.00871	0.5
89.02446	2.1
95.95232	5.1
96.44302	0.4
96.96011	69.0
98.95577	0.6
99.00868	0.4
100.48668	0.3
101.02464	2.4
113.02427	1.2
119.03496	0.6
122.97592	0.6
129.01990	0.5
136.99178	0.4
138.97101	1.4
142.86047	0.4
146.85129	0.4
150.97043	1.5
159.02934	0.4
161.04605	0.6
167.10802	0.5
168.98044	0.5
177.04042	4.7
178.04420	0.4
179.05630	0.5
180.98038	1.0
191.05612	1.1
198.99072	0.4
213.00682	0.8
220.99004	0.4
225.00755	1.7
241.00230	4.0
256.90820	0.3
256.99741	5.6
259.01273	0.4
305.16452	0.3
341.05310	0.4
349.18619	0.8
381.12234	0.9
409.11713	100.0
409.20547	4.7
410.12064	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	407.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.6
62.98841	0.6
67.01923	0.6
69.03439	0.9
69.50137	1.6
69.50551	1.8
83.05032	0.7
88.15182	0.5
94.01295	0.6
95.37973	0.6
98.19911	0.8
279.26941	1.4
291.27081	0.7
295.30127	0.9
305.28644	1.0
307.26385	0.6
319.30078	3.1
323.29480	5.7
324.29843	1.1
333.31363	0.7
335.33514	0.7
345.31485	0.9
347.29526	2.3
361.31116	1.9
363.32681	30.8
364.33029	4.4
365.30557	6.0
366.30777	0.8
407.31653	100.0
408.31982	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	407.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	56.6
58.93231	1.4
59.01370	3.3
61.98825	2.5
65.00330	11.5
65.03951	2.9
67.01878	4.5
71.51804	1.6
77.06654	1.4
81.03452	22.1
81.07091	9.2
83.01379	11.6
83.05017	2.7
85.02953	5.2
87.11588	1.5
97.02934	3.4
98.74062	1.2
105.07084	3.3
107.05027	11.9
109.02946	23.3
123.04519	6.2
123.08161	94.6
124.08490	4.1
125.02445	100.0
125.06080	67.8
126.02758	3.2
126.06414	3.7
149.06029	1.7
153.01927	3.6
161.08122	1.4
167.03430	4.2
167.05840	2.3
167.07133	29.4
168.07350	2.1
239.23723	4.3
279.26926	14.2
281.24820	15.0
282.25290	2.7
321.27853	2.9
345.31622	12.9
346.31952	2.1
363.28900	5.5
389.30573	1.7
407.27667	31.9
408.28186	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	407.259
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
50.02962	7.3
57.03451	98.6
57.74307	7.0
59.01361	23.6
63.05688	7.0
64.71475	6.3
71.52074	8.8
73.32305	7.2
79.05516	11.0
81.50179	8.4
83.05032	72.7
99.04533	15.8
109.06587	41.4
110.21794	7.3
110.80965	7.0
133.06657	8.9
135.08168	17.1
145.10159	8.7
149.09766	11.1
155.08658	7.4
171.10289	8.3
174.48611	6.5
175.11201	10.9
263.14233	7.1
265.15906	10.9
267.17630	8.7
270.99234	6.7
305.18912	7.2
349.21747	100.0
350.22266	9.2
356.21317	29.1
357.21579	14.0
371.23761	9.4
389.24710	59.5
390.24966	11.7
407.25928	47.9
408.27609	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	407.28
Annotation	beta-Muricholate
Peak:m/z	Relative Intensity
57.03444	4.5
59.01385	2.3
70.00235	1.2
78.95901	1.2
83.00917	0.6
83.01382	8.1
83.05036	0.4
92.83228	0.3
96.08749	0.4
98.20563	0.4
110.45200	0.4
152.99580	1.1
238.16316	0.3
277.25214	0.5
279.26917	18.9
280.27237	2.9
293.24854	3.2
303.26926	2.3
305.24789	2.9
319.30002	3.5
320.30276	0.5
321.27960	42.3
322.28290	5.1
323.25751	1.1
325.18579	0.4
335.29626	1.9
339.28992	6.6
340.29416	1.1
345.27875	2.5
346.28043	0.6
363.29007	57.8
364.29398	8.1
389.26773	0.5
407.27982	100.0
408.28329	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	407.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.9
62.43295	0.5
71.01480	0.6
71.51265	0.5
78.95901	16.9
96.96955	1.1
116.70430	0.6
141.19151	0.6
152.99577	13.1
159.53125	0.5
171.00636	7.5
183.01082	0.6
325.18347	1.3
345.31543	1.9
363.32672	100.0
364.33011	16.8
371.29626	1.3
407.22409	1.0
407.27112	0.7
407.31735	11.0
408.32016	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	407.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.2
64.64648	0.7
67.38915	0.6
70.53965	0.6
78.95904	100.0
82.63834	0.7
83.01379	1.3
96.96965	7.1
98.19870	1.9
103.94015	0.6
110.56612	0.6
114.57174	0.7
150.97990	2.1
152.99582	87.5
153.99940	1.5
168.83113	0.7
171.00633	49.8
183.01199	1.0
200.21680	0.8
210.30721	0.8
279.26874	1.5
321.28052	3.1
325.18512	2.9
339.28952	1.1
345.31638	1.5
363.29184	3.7
363.32681	94.8
364.29236	0.5
364.33011	13.3
371.29553	1.1
389.30527	0.8
407.21973	5.3
407.27811	5.5
407.32547	7.1
408.32468	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34082	0.9
57.03424	1.0
59.01377	100.0
60.01700	1.2
61.98829	1.5
66.80544	0.9
70.24094	3.1
72.99306	3.9
80.96500	1.0
85.02956	1.4
87.00909	0.9
96.96004	7.4
99.04518	39.4
100.04835	0.9
101.02493	1.0
119.04974	0.9
121.02958	1.1
123.04546	1.3
133.06657	1.4
135.04460	1.0
142.23444	0.8
145.06514	1.5
159.08096	1.0
160.05446	0.9
160.84225	1.3
161.05984	1.0
171.08131	0.9
173.06035	1.8
177.09244	0.9
187.11301	1.7
195.08122	1.8
195.89961	0.9
201.09064	1.6
203.07166	1.3
203.10660	1.2
211.07622	1.0
211.13390	3.5
213.09187	3.4
231.10213	2.0
232.07068	1.0
239.07098	1.1
245.08115	1.2
247.09743	2.6
257.08081	1.0
275.09143	3.0
279.12241	1.1
307.11847	3.6
351.15170	1.0
407.13760	2.0
407.20004	1.3
407.24698	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	407.2074
Annotation	Rabdoternin D
Peak:m/z	Relative Intensity
59.01379	55.5
69.97564	7.0
80.84190	1.6
82.60077	1.6
85.02994	1.8
96.96015	8.1
99.04523	5.1
105.90559	1.7
123.04516	3.0
174.72107	1.8
196.74353	1.5
303.19641	100.0
304.20016	12.8
347.18643	32.6
348.19037	4.9
407.20685	5.6
407.25055	3.6
408.21176	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39622	1.1
54.48571	1.0
59.01379	100.0
60.01711	2.2
61.01836	2.2
63.14458	1.2
68.99826	3.7
69.35313	2.3
69.35722	7.6
71.01382	12.1
72.99310	1.7
73.01801	1.2
73.02944	3.0
75.00847	1.5
80.99796	1.2
83.01372	2.2
85.02939	3.5
89.02453	11.5
90.02769	1.4
91.02882	1.7
93.03441	1.1
95.01308	1.6
96.96012	3.3
96.99308	2.4
99.00887	7.0
100.98818	2.2
101.02452	7.7
112.98804	16.9
113.02471	4.5
116.01156	2.2
119.03509	3.2
121.03948	1.2
123.00888	2.2
124.98784	6.2
135.04541	1.3
140.01158	46.5
140.02243	2.5
143.03412	1.6
149.06062	2.2
155.03500	25.1
156.00681	2.6
156.03851	1.3
163.11243	1.2
171.03020	5.2
171.10268	11.7
181.12300	7.1
182.12613	3.1
183.12790	1.8
184.00169	6.2
185.11823	42.3
185.13486	2.1
186.12151	1.8
186.66171	1.1
191.05605	4.0
199.02483	41.7
200.02847	1.6
217.05113	1.0
221.18779	1.0
225.11301	16.3
226.11658	13.6
227.11728	18.3
231.05092	49.2
232.05424	2.6
253.09212	1.1
365.18100	1.2
407.09869	30.7
407.18356	29.8
408.10031	4.4
408.18680	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	407.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57834	0.9
53.46439	0.8
59.01379	100.0
61.98833	10.1
71.01379	5.2
71.50213	1.0
71.50690	1.5
73.02966	1.2
85.02912	1.9
89.02437	6.0
96.95999	1.8
99.00858	1.5
101.02438	4.3
113.02456	2.5
119.03472	2.1
120.99632	1.1
145.09824	1.7
151.03958	1.3
161.04576	3.0
315.76352	1.0
347.17044	8.3
366.49036	1.0
407.19385	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	407.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.4
57.03436	3.9
58.00594	1.5
59.01379	100.0
61.98826	2.9
71.01379	32.3
71.05038	1.2
72.01694	1.4
72.99309	2.5
73.02945	25.2
79.95753	1.2
81.03466	1.4
83.01376	5.6
85.02941	10.5
85.06590	1.7
87.00883	11.3
87.04504	6.7
89.02444	17.5
91.32331	1.2
95.01401	2.9
96.96010	1.5
97.02900	1.3
97.06599	4.8
99.00878	3.2
99.04509	1.5
101.02445	26.2
113.02435	12.9
113.06047	1.8
115.07681	2.5
119.03493	5.6
123.08116	1.5
129.09235	8.6
139.07632	1.6
143.03455	1.9
149.04584	1.3
159.10266	34.8
160.10588	3.4
161.04546	9.3
179.05627	2.3
185.11722	1.6
191.05627	1.9
203.12860	3.0
245.11824	2.4
347.17014	15.7
348.17679	1.6
365.18179	25.5
366.18460	3.2
407.10318	2.1
407.19272	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	407.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23723	1.3
59.01375	1.8
66.43777	1.1
69.23106	1.3
69.95380	6.8
71.99403	1.4
75.76488	1.2
84.86642	1.4
84.97112	1.3
98.19997	2.5
99.04520	100.0
100.04884	1.3
134.03728	1.2
135.04575	1.4
143.05014	3.0
159.04564	1.6
159.08112	4.6
169.06570	1.8
170.07362	1.3
171.08148	5.8
173.06033	1.6
177.05453	1.8
183.08250	6.8
185.09634	2.6
186.06929	1.9
195.08157	12.2
198.06779	2.1
201.09203	7.5
213.09241	15.6
215.07135	2.3
217.04974	3.1
224.85098	1.6
231.10252	5.7
239.07182	4.2
245.08307	7.2
245.11790	3.8
257.08252	6.0
263.12888	2.7
275.09363	11.1
326.37473	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.9
64.93542	1.0
67.36510	1.1
70.12714	4.8
70.29199	0.8
75.74009	1.0
76.61376	0.8
86.65177	0.9
90.61517	1.1
98.20063	1.3
99.04516	100.0
100.04871	2.3
117.07101	1.1
135.04422	1.1
143.05028	3.5
145.06548	1.2
151.51016	0.9
154.27095	1.0
156.05766	1.5
156.29881	0.9
157.06570	1.2
159.08127	4.2
161.05983	1.1
161.99553	0.9
167.08643	1.3
170.07385	1.5
171.08154	6.7
173.06056	2.2
176.04907	1.1
182.19644	0.9
183.08093	4.6
185.06049	1.6
185.09653	2.6
186.06757	1.2
195.08131	10.6
198.06819	3.3
201.09160	6.2
213.09222	14.6
217.05013	2.7
227.07195	1.0
231.10248	6.1
239.07095	2.2
239.09251	1.0
245.08162	7.5
245.11917	1.8
255.31807	0.9
257.08224	5.0
263.12836	3.2
275.09262	8.4
277.10995	1.0
289.10562	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56426	5.5
59.01359	17.6
61.73878	4.8
61.98533	8.4
61.98833	100.0
69.49813	5.3
70.52016	8.1
70.52349	10.6
99.04542	7.4
112.59309	5.3
127.65948	5.1
160.57370	5.3
232.42702	5.2
281.11960	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	406.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37547	3.6
61.98830	100.0
66.80231	2.9
95.08360	3.4
156.35391	3.2
219.38951	4.1
260.96085	3.6
407.27484	5.6
407.32077	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	406.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96081	12.5
58.53995	13.5
59.01367	28.6
61.98826	100.0
71.53626	14.8
78.95911	19.4
81.03315	13.4
84.17456	13.2
85.51054	12.6
97.85624	13.1
99.04531	17.9
100.95151	13.5
103.50258	12.3
145.10281	12.8
152.99551	37.1
170.99248	13.3
192.14645	16.0
203.38313	13.3
321.13116	16.3
321.27783	16.9
330.23563	17.7
345.25870	30.6
363.26993	38.1
407.27631	27.2
410.18396	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	405.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20673	12.1
59.01380	100.0
61.98820	59.8
69.97294	23.4
69.97697	50.2
87.00874	24.1
96.96032	40.9
98.19961	15.6
149.06039	17.6
202.43747	12.4
214.61812	13.8
290.76086	14.1
405.22827	20.7
405.26398	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	405.213
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01880	1.1
57.03439	1.4
58.00591	1.5
58.95648	1.0
59.01378	71.7
65.81104	0.9
69.03460	1.2
71.01381	47.2
72.01698	1.1
72.99303	2.4
73.02940	2.6
79.95734	1.5
80.96503	1.2
83.01390	1.2
85.02942	9.5
87.00864	2.0
89.02438	38.4
93.03450	1.3
95.01377	4.0
96.96001	3.8
97.06586	1.0
101.02442	24.1
107.01410	1.3
113.02435	14.0
119.03493	17.5
125.02457	1.6
127.11311	1.4
130.51855	0.9
130.90736	0.9
131.03523	1.4
139.11241	1.3
143.03496	2.3
146.57967	1.0
149.04482	1.7
153.12837	8.8
161.04564	2.0
167.44566	0.9
179.05586	3.7
179.07031	1.0
181.12431	1.0
191.05533	1.6
199.13394	5.7
207.13905	1.2
225.14891	4.3
241.00372	1.0
242.05772	1.3
273.16995	1.8
284.28293	1.0
317.17645	2.0
333.17123	2.2
405.21249	100.0
406.21548	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	405.2127
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01892	0.7
57.03447	9.5
58.00587	3.6
59.01378	100.0
60.01722	1.5
61.98828	10.1
71.01380	54.9
72.01714	1.2
72.99307	3.7
73.02941	4.7
75.00861	0.9
80.96529	1.0
81.03474	0.5
83.01405	2.4
83.05038	0.6
85.02946	13.4
86.43124	0.5
87.00881	3.8
89.02442	65.3
90.02769	1.0
95.01401	3.8
96.95998	8.1
97.06601	1.0
99.00880	1.3
99.04544	0.7
100.63850	0.6
101.02438	33.4
102.02762	0.6
109.06684	0.6
113.02444	23.7
116.92850	1.0
118.98035	0.7
119.03499	29.7
121.33869	0.6
122.03753	0.8
122.99284	0.7
123.08161	1.6
125.02472	0.9
125.06107	2.0
131.03519	2.9
134.07431	0.6
137.09708	0.8
140.07233	0.7
141.09219	1.4
143.03526	3.9
143.04478	0.6
149.04538	2.7
149.09724	2.3
159.02994	1.0
161.04550	12.7
162.04991	0.6
163.11336	1.0
165.01923	0.5
167.10748	8.3
167.11905	0.7
179.05597	7.4
179.07011	0.9
180.04234	0.5
181.05080	0.8
183.10254	7.4
207.13834	0.8
243.15985	9.1
244.16344	0.8
253.07368	0.8
323.13544	1.5
345.11783	1.1
345.15652	1.4
376.20364	0.6
405.04919	4.6
405.17548	2.2
405.21469	29.0
406.21875	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	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07281	1.2
59.01384	36.9
59.58101	1.5
69.58651	7.8
70.65332	1.1
71.01387	18.6
73.02940	3.9
83.65258	1.0
85.02949	3.1
89.02442	20.6
101.02446	9.8
106.27644	1.3
113.02455	5.5
119.03505	8.3
154.44604	1.4
163.11255	4.1
174.85806	1.3
181.12364	28.4
182.12703	2.2
193.58044	1.5
207.10249	1.4
225.11328	100.0
226.11775	6.3
233.64885	1.2
243.12366	3.0
322.36469	1.3
352.57831	1.3
405.17639	40.1
406.17886	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	405.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.4
61.98825	2.9
65.05022	0.9
70.99715	2.2
74.02476	5.3
80.96516	1.1
83.06717	1.0
93.03436	1.0
96.96006	4.6
97.04083	1.7
100.00406	69.5
121.70496	1.2
159.08127	1.1
162.01753	1.0
171.06854	1.0
172.07655	4.0
174.08009	3.3
177.02473	2.7
177.03874	1.2
178.03276	1.7
179.04051	1.2
186.09174	2.1
190.03319	9.8
191.03937	1.3
191.05608	1.4
196.07637	1.6
202.03300	1.4
204.04906	15.7
205.05568	4.5
206.06342	4.3
212.07198	2.4
212.09264	1.3
217.05553	1.5
218.06215	1.1
220.07950	1.1
227.09453	2.3
229.09779	1.7
230.06459	1.8
231.11330	2.5
242.11827	1.8
246.09563	26.6
247.09755	2.9
258.24518	1.0
269.12909	24.3
270.13312	2.5
274.96982	1.0
278.12234	5.4
284.03308	1.2
286.12640	4.4
299.05505	1.2
303.11670	5.7
304.13754	63.2
305.14133	7.0
330.11758	1.3
361.15903	33.0
361.20242	2.3
362.16156	4.3
404.25516	1.4
405.14841	100.0
406.15112	13.0
419.14050	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97585	0.8
59.01378	1.5
61.49255	0.5
69.90876	1.6
70.02959	0.6
70.99615	0.7
74.02468	4.7
76.44686	0.5
97.04075	4.9
98.20573	0.8
100.00410	55.4
101.00768	1.0
151.05795	0.7
151.97285	0.5
158.06035	0.5
160.11339	0.6
165.03891	1.1
166.04539	0.9
167.05345	0.9
170.09769	0.6
172.07658	2.6
177.02573	0.8
178.03290	1.0
179.03642	1.0
180.04951	0.9
188.10698	0.7
190.03319	2.6
191.03958	1.4
191.05438	1.2
193.01999	2.1
193.06943	1.1
204.04861	15.9
205.05298	2.5
205.06952	1.7
206.06346	6.1
207.08505	2.0
212.10794	4.3
218.06467	3.9
220.08005	5.2
222.09435	0.7
223.03093	0.5
230.06425	2.2
231.07159	1.3
232.07887	1.5
234.24252	0.5
237.04654	8.7
246.07201	1.0
246.09584	16.6
247.09770	1.9
248.11172	0.9
249.09709	0.5
256.00150	0.6
262.09204	1.2
263.06378	0.6
265.12595	4.7
270.14886	1.0
278.12128	4.1
280.13821	1.7
286.12592	0.9
290.12128	2.4
298.01352	0.8
303.11926	0.8
304.13760	86.3
305.14035	9.7
306.15314	2.1
360.01077	0.8
361.15906	100.0
362.16193	12.9
373.16705	0.8
375.03619	3.7
390.05823	2.8
391.06396	0.7
405.08481	5.8
405.14859	59.3
406.15125	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	405.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29951	0.9
59.01381	100.0
60.01706	1.0
61.98830	27.1
71.01387	7.3
71.30960	1.3
73.02944	2.5
77.54869	0.9
77.63437	0.9
85.02943	2.3
88.98820	4.5
89.02438	5.2
96.96012	3.2
101.02444	2.8
113.02435	3.8
118.98065	1.0
119.03490	2.2
131.74472	1.0
136.30695	0.8
140.02745	1.0
153.01909	2.4
155.01805	1.1
161.04535	3.5
168.04272	2.7
183.06621	16.7
198.74519	1.1
242.95093	1.9
263.06287	1.1
289.11740	1.2
345.15430	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	405.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51847	0.5
56.17751	0.6
58.13202	0.6
59.01375	1.9
70.02972	0.8
70.74565	0.6
74.02470	1.0
83.05043	0.8
89.25861	0.6
97.04070	3.7
100.00413	12.4
165.03839	1.6
172.07693	8.5
180.04852	3.2
181.05708	1.0
190.03329	1.2
191.04019	1.7
192.04807	0.8
193.05609	0.8
204.04883	22.0
205.05635	3.4
206.06400	9.1
207.06888	1.1
218.06500	2.5
219.07144	0.9
237.04631	5.3
252.13898	1.0
265.12683	6.9
266.12900	0.9
270.14987	4.0
271.15652	0.7
274.12616	0.9
278.12134	7.3
280.13913	2.1
286.12888	3.0
288.14337	1.1
290.12228	3.7
302.12289	3.7
303.12857	0.8
304.13757	83.8
305.13840	10.7
306.15335	2.6
346.13348	0.7
361.15906	100.0
362.16183	13.9
405.14850	22.4
406.15204	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	404.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09968	0.2
59.01382	0.7
61.68769	0.2
61.98829	100.0
71.53624	0.3
76.15723	0.2
87.00900	0.7
138.81297	0.2
225.44032	0.2
319.22772	5.3
320.23187	0.8
331.78732	0.3
387.21686	0.3
404.20517	40.8
404.25143	2.9
405.20792	5.7
405.25766	0.3
422.08664	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04967	0.3
59.01383	1.2
59.22747	0.3
61.98829	100.0
64.71725	0.3
70.88934	0.3
71.52810	0.4
101.94058	0.3
145.56171	0.3
172.33797	0.3
199.28917	0.3
237.52217	0.3
260.78256	0.4
289.02841	0.4
301.26843	0.3
319.22748	4.4
320.22903	0.6
404.20508	38.6
405.20828	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	405.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
57.03440	1.0
58.00594	1.5
58.02971	0.7
58.03762	0.4
59.01379	24.0
60.01715	1.2
61.01801	0.4
61.72828	0.3
61.98835	1.7
62.46434	0.3
70.88795	0.6
71.01383	13.0
71.05003	0.5
72.00924	0.5
72.01700	0.8
72.99303	1.6
73.02950	4.9
74.02493	1.9
75.00863	0.5
79.95734	4.2
80.96532	0.8
81.03457	0.6
83.01391	0.8
83.05034	1.3
85.02949	3.3
86.02489	0.6
87.00860	1.0
87.05620	0.4
89.02447	10.9
90.02794	0.7
91.01861	0.4
91.02839	0.5
93.03470	0.5
94.98103	0.4
95.01396	1.0
95.05067	0.4
96.96013	100.0
97.02951	0.4
97.06563	0.7
98.58818	0.4
99.00858	0.7
99.04526	1.1
99.05637	0.5
101.02441	7.7
102.02806	0.5
103.02921	0.4
104.03542	1.4
109.02929	0.5
109.06599	0.5
111.04480	0.4
113.02444	4.7
114.02808	0.5
118.98100	0.5
119.03510	4.0
120.03905	0.4
122.03770	0.4
122.97587	2.3
123.04584	0.6
123.08147	1.0
128.03546	3.1
129.03909	1.0
134.03741	1.5
135.00864	1.0
135.04521	0.6
137.06163	0.5
139.07646	1.4
141.09195	0.8
143.03526	0.6
143.04613	3.7
144.04951	1.4
145.05101	0.7
146.04567	0.5
148.01678	0.4
149.04613	0.8
149.06059	1.7
150.97057	3.4
151.07635	0.4
151.11307	0.4
153.01920	0.8
159.02966	0.4
160.00711	0.9
161.02425	0.4
161.04599	2.3
163.03999	0.9
163.11237	0.4
164.04688	0.5
165.01973	0.4
165.09210	0.4
167.07092	0.5
167.10760	0.5
175.04022	1.4
176.04758	1.4
177.05559	0.8
179.07080	0.5
180.04222	0.4
181.12468	0.6
187.03926	0.7
191.05661	0.7
191.07161	1.9
193.12407	0.4
195.06630	1.0
201.11308	2.5
202.06201	0.4
205.12270	0.6
206.12740	0.6
207.06583	0.7
207.10190	0.5
209.08180	1.6
210.08786	0.6
211.09149	0.6
218.05794	0.5
225.11285	1.5
230.05782	0.8
235.06177	0.6
241.14516	2.2
241.16795	0.3
242.14803	2.6
243.12599	0.5
243.15732	2.9
245.08159	1.4
253.07184	5.8
254.07738	1.2
263.09195	1.4
272.08850	1.2
273.09097	1.1
302.79593	0.4
306.07648	1.9
307.07980	3.5
308.07486	0.7
325.09320	0.6
345.15512	1.4
361.06125	0.5
363.16495	1.5
399.29111	0.4
405.04965	48.8
405.17706	4.1
406.05243	5.8
406.11249	0.4
406.12686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.9
57.34315	1.7
58.00574	2.8
58.02981	15.2
59.01382	85.8
60.01693	2.7
61.98539	2.7
61.98833	36.6
69.10453	1.6
69.78560	9.8
70.02975	2.9
71.01383	37.3
71.05037	1.9
71.49072	1.7
72.01723	3.1
72.99314	3.6
73.01808	2.1
73.02930	6.6
74.02477	29.3
74.99081	2.7
82.02978	2.9
83.01405	3.8
85.02953	7.0
86.02477	10.1
87.00868	3.7
87.05623	7.0
89.02447	23.5
89.88288	1.9
90.00174	3.7
95.01383	4.7
96.96020	3.6
97.04045	2.4
98.20567	3.4
99.00879	2.6
99.05650	22.6
101.02438	19.5
101.07213	2.9
102.05595	5.9
103.02885	1.7
109.04085	3.1
111.05650	2.4
113.02449	11.5
116.01730	1.8
118.98073	2.3
119.03561	9.0
120.42531	1.7
120.99660	3.9
122.03764	2.5
123.05686	1.8
124.04028	2.4
127.05116	4.5
128.03551	71.1
135.05603	5.4
140.07182	3.8
141.06708	5.2
143.04631	95.4
144.04948	2.6
145.06192	3.1
146.04613	10.6
152.11826	1.8
153.06688	5.0
159.99504	2.8
160.00746	30.0
161.04532	7.4
163.01695	1.9
166.09846	3.7
167.04602	6.2
177.03380	10.2
179.04549	13.3
181.06226	2.1
185.05679	4.0
191.05574	2.2
197.05757	2.3
198.06819	3.4
198.08551	2.2
207.13887	6.3
208.80527	1.9
210.08804	17.2
225.11226	3.8
225.14909	4.6
228.10045	1.9
242.07706	2.7
243.16006	4.6
253.04607	2.2
254.07803	31.1
264.57913	2.3
272.08896	41.4
288.06641	13.7
306.07648	100.0
307.07999	8.7
327.12329	3.2
342.18103	1.9
345.15625	3.1
387.20221	3.5
404.19037	23.3
405.16989	5.6
405.21225	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	404.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74820	0.3
61.98827	100.0
70.68378	0.8
96.96014	0.4
136.98492	0.4
242.32573	0.4
275.09943	0.5
299.63892	0.3
377.05673	0.4
429.62256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54627	1.5
59.01371	5.9
61.98829	100.0
69.22011	15.4
71.01390	2.3
72.55446	1.7
80.42387	1.7
83.97710	1.9
95.38770	1.4
98.19920	2.4
100.27868	1.5
101.14235	1.8
107.00641	1.7
202.79144	1.5
273.17014	6.8
372.08902	2.0
405.20834	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	404.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07225	1.0
59.01384	2.8
60.78355	0.9
61.98830	100.0
69.44495	7.6
95.06525	1.2
98.19944	1.9
122.09964	1.1
269.96777	1.0
328.10489	1.2
331.91464	1.1
334.43982	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2489
Annotation	Briarellin R
Peak:m/z	Relative Intensity
59.01370	3.7
61.98832	24.6
69.87766	1.1
74.17609	1.2
74.81275	1.2
81.05138	1.1
87.04514	77.3
133.02959	4.0
152.34302	1.3
153.61345	1.2
182.25269	1.2
192.04301	8.0
311.41068	1.2
315.19635	100.0
316.19934	13.7
403.19427	5.9
403.24850	39.0
403.29236	1.0
404.25076	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	403.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01125	0.5
61.98825	7.3
69.69859	2.9
79.79691	0.5
89.36823	0.5
90.16991	0.6
114.30700	0.6
115.92064	0.8
117.91876	0.7
136.84138	0.5
151.46404	0.6
278.92526	0.6
302.22043	0.7
379.30283	0.6
403.14349	3.9
403.28516	100.0
404.28845	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	403.2852
Annotation	6alpha-Angeloyloxynidorellol
Peak:m/z	Relative Intensity
52.91113	0.4
61.98829	12.4
69.69276	1.9
84.04711	0.3
117.91908	0.4
125.76553	0.4
131.39009	0.4
136.42879	0.5
139.44356	0.4
201.10287	0.5
212.30170	0.4
222.24985	0.4
250.34518	0.4
403.14474	1.7
403.28506	100.0
404.28848	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	404.083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.6
58.00598	2.1
59.01381	55.7
61.98832	100.0
69.96929	2.6
71.01383	31.1
72.01704	0.8
72.99311	3.6
73.02935	3.6
74.02486	1.1
74.25882	0.6
79.95772	0.8
80.96495	0.7
83.01389	2.1
84.98319	0.7
85.02956	7.1
87.00890	2.9
87.04496	0.7
87.05640	0.6
88.88817	0.6
89.02446	32.5
89.73867	0.5
90.51364	0.6
93.03516	0.8
95.01405	2.6
96.96013	13.3
99.00896	1.5
99.04541	1.0
99.05648	1.6
101.02454	17.9
113.02460	12.9
115.92057	1.1
118.98015	0.7
119.03503	14.5
120.99683	1.8
121.21353	0.6
121.31773	0.6
123.08163	0.9
125.06072	0.9
128.03566	4.2
131.03517	0.8
134.03719	0.9
135.04524	9.8
137.02460	0.8
137.09735	0.9
141.09210	1.8
143.03526	2.0
143.04646	5.5
149.09727	6.1
160.00745	1.1
161.04602	6.1
163.11363	0.6
167.10777	9.6
179.03462	14.6
179.05766	4.3
180.03806	0.6
181.12354	2.2
191.05621	1.3
207.13860	1.1
210.08900	0.9
225.14960	0.9
237.00339	0.6
243.15982	7.5
251.90977	0.6
253.07158	0.9
254.07855	1.1
272.08966	2.1
306.07703	6.8
307.08017	0.8
312.29910	0.6
341.08569	3.1
345.15414	1.0
387.16736	1.5
403.19177	1.4
404.19672	2.2
405.04956	8.8
405.12576	1.2
405.17392	2.2
405.21750	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	403.249
Annotation	plakortolide S
Peak:m/z	Relative Intensity
56.03737	0.5
57.03446	1.2
59.01371	2.2
61.98830	9.1
71.52354	0.6
87.04513	1.8
90.11555	0.5
103.04012	8.5
140.72395	0.6
149.10097	0.6
167.05574	0.6
277.97351	0.6
294.13187	0.6
299.20154	4.3
315.19940	0.8
317.21158	6.7
318.21527	1.1
365.34558	0.6
384.80524	0.6
403.24863	100.0
404.25229	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	403.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.7
57.03446	9.9
58.00592	3.8
59.01378	100.0
60.01726	1.8
61.98832	4.9
69.03453	1.2
70.13881	4.2
71.01379	56.3
71.05013	1.1
72.99317	4.6
73.02943	5.9
75.96050	0.9
78.11738	0.9
81.00243	1.2
81.03455	3.3
83.01392	4.2
83.05004	2.3
85.02953	13.6
87.00870	3.5
89.02442	66.0
90.02783	1.7
93.03475	1.2
95.01392	3.5
95.05063	1.4
96.96009	3.6
97.02950	1.8
97.06580	2.5
99.00875	2.4
99.04549	2.8
101.02438	34.7
109.06613	3.0
111.04539	2.7
113.02448	26.3
113.06118	1.1
119.03503	30.8
120.99649	4.2
121.06602	1.4
123.08157	7.7
124.05286	5.7
125.06065	1.6
127.07693	1.3
128.03506	1.3
129.09196	2.8
131.03542	3.4
135.04550	1.2
135.08148	5.1
136.08545	1.0
137.06108	1.8
137.09677	2.3
139.07652	27.2
140.07161	3.6
140.08090	1.1
143.03514	4.5
143.04559	1.7
147.08156	2.7
149.04546	3.0
149.05768	0.9
149.09772	1.6
150.06886	1.3
151.11287	1.2
151.44696	1.0
153.09225	1.2
158.81166	0.9
160.04053	3.3
161.04556	6.1
161.09753	4.1
163.11281	4.6
167.07161	2.8
173.04491	1.1
179.05621	9.2
179.10849	2.0
187.11150	1.2
190.10007	1.7
193.12294	10.0
203.10733	1.3
205.10492	2.1
205.12300	16.3
205.14081	1.5
206.12852	1.1
211.13390	1.3
221.11848	1.4
223.13397	7.2
241.14441	62.2
242.14769	7.0
271.15240	1.1
283.10889	1.9
315.13934	1.2
327.09680	1.6
403.11404	2.3
403.19806	38.0
404.20099	4.4
427.32339	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.1
57.03436	2.5
57.77509	1.1
59.01381	56.5
59.34043	1.0
61.98818	2.2
63.87986	1.1
66.65673	1.2
69.03447	1.0
71.01384	22.6
72.99307	1.7
73.02933	7.3
83.01372	4.0
84.79208	1.0
85.02953	11.9
86.00085	2.0
87.00865	3.5
89.02446	5.2
93.03462	2.3
95.01373	1.7
96.96034	1.2
97.02924	1.6
99.00865	2.1
101.02443	13.9
105.03461	2.4
111.00904	1.2
113.02453	7.1
119.03522	1.3
125.02424	2.9
133.02954	10.6
134.03766	5.7
135.04506	3.4
137.02403	5.1
139.04042	2.0
150.03258	1.3
156.55861	1.1
164.04904	1.2
172.92690	1.1
173.04527	1.6
176.04027	2.6
177.01935	3.0
178.02733	11.2
179.03429	2.4
179.07063	1.6
181.12312	3.6
191.05618	2.7
199.13409	9.7
253.14490	1.2
271.15561	4.8
306.07462	23.4
307.07886	2.2
343.17572	13.7
344.17972	2.6
361.18680	45.9
362.19101	5.1
395.11673	1.1
403.19724	100.0
404.20004	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	403.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	5.9
59.01378	46.9
60.94950	2.2
61.98824	4.5
62.06399	2.0
64.09957	2.1
69.03454	2.4
69.53979	4.2
69.54384	10.1
71.01394	16.9
71.05030	3.9
73.02948	9.6
80.05040	2.3
80.46281	2.0
80.96500	3.6
85.02944	5.7
87.00882	3.4
89.02452	14.2
93.03455	4.0
95.01374	3.5
96.96005	8.2
98.19901	4.2
101.00641	2.1
101.02439	9.0
108.04574	2.8
111.08115	3.3
113.02464	8.0
119.03498	7.2
120.99656	5.5
121.02904	5.6
122.06141	12.0
123.00845	3.1
123.08128	2.5
124.07687	2.6
130.03023	4.0
132.04562	19.7
137.02463	2.9
137.09718	2.9
147.03282	5.6
150.05577	3.7
153.05592	3.0
154.00935	6.5
155.10736	2.5
158.02451	9.7
159.04448	2.8
160.04045	11.6
161.04527	3.0
162.05597	4.2
172.07794	2.9
173.04515	2.7
176.03496	11.3
176.07176	5.0
177.03526	3.2
179.07106	3.7
187.07596	3.9
190.05109	22.1
191.05664	5.3
193.05029	3.1
197.06013	11.9
207.06575	2.6
211.08791	4.3
211.12416	6.3
212.05797	2.8
212.10866	4.5
215.11929	3.5
217.10796	3.3
223.08723	6.3
223.13345	12.6
224.07507	3.4
224.09500	18.0
226.07507	5.0
227.08253	7.5
228.08771	2.7
231.10213	6.2
239.08266	4.7
239.11893	33.9
240.10214	8.8
241.09737	15.4
253.06177	30.2
254.06796	4.4
255.07819	4.9
255.11336	8.4
265.09882	4.7
267.07721	10.1
268.08527	10.3
271.07300	2.8
271.15497	22.8
275.09259	5.3
281.09265	12.2
283.10870	89.5
284.11163	6.7
309.08783	27.7
310.09222	4.4
315.09219	4.5
315.12680	37.7
316.13043	4.4
327.09866	92.0
328.10098	12.8
341.11246	3.3
343.11841	4.1
343.21246	10.3
353.07721	6.4
359.12402	3.5
361.22369	16.0
362.22549	2.9
371.08826	100.0
372.09122	13.9
373.13062	3.3
388.11551	3.0
403.10760	47.7
403.23901	12.5
404.11841	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	403.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99924	1.0
59.01381	8.7
69.40968	8.2
71.01369	2.9
72.99297	1.2
73.02944	3.4
80.05042	2.8
82.88997	1.2
85.02915	1.4
89.02428	2.2
91.30599	1.1
93.61232	1.0
101.02422	2.5
104.05051	1.5
122.06122	6.8
124.07626	1.3
130.02942	2.7
131.03745	1.3
132.04552	18.9
133.02931	1.1
146.02470	2.3
147.03250	3.2
148.04047	1.5
150.05557	3.5
158.02493	5.5
160.04051	9.7
161.04727	2.2
162.05580	2.5
167.07271	1.1
174.05664	2.1
176.03519	8.5
176.07149	3.7
184.07716	3.1
190.05093	18.0
191.05635	1.7
196.11215	2.0
198.04227	1.6
199.08670	1.5
209.07167	1.9
211.06364	1.7
211.12369	5.0
212.06010	2.0
212.10735	3.9
213.06659	2.8
215.11916	2.1
220.02385	1.8
223.04831	1.3
223.08839	5.6
224.07385	1.9
224.09528	13.8
225.06578	1.3
225.08052	1.4
226.07420	3.9
227.08299	6.8
234.04004	2.4
238.08817	1.4
239.04475	2.1
239.08250	2.7
239.11870	28.1
240.10422	6.8
240.12308	2.5
241.09796	11.4
250.07385	1.4
252.05281	1.7
253.06171	22.9
253.10336	1.6
254.06673	5.4
255.07735	4.2
255.11369	8.4
256.08395	1.7
265.09769	4.6
267.07782	7.7
268.08542	10.6
269.08807	1.7
271.11954	1.3
271.15405	5.5
281.09360	9.9
283.10876	66.1
284.11282	6.7
309.08817	22.9
310.09073	2.0
315.13379	2.8
327.09848	83.4
328.10056	10.7
330.67719	1.3
353.07715	4.0
359.12512	1.7
371.08807	100.0
372.09161	13.1
403.11392	42.1
403.19543	19.7
404.11694	5.4
404.20013	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	403.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11000	1.3
57.03434	1.5
59.01380	14.8
61.98818	1.5
64.57382	1.4
71.01352	4.3
71.30113	2.1
71.30465	1.3
73.02944	3.9
77.54153	1.2
80.96510	3.4
83.05028	1.8
85.02944	1.9
87.04497	1.8
93.03490	1.5
96.95995	1.4
100.63497	1.3
101.02422	2.4
101.84708	1.3
113.02422	1.9
120.97482	1.5
122.06120	7.2
130.02919	3.3
132.04555	22.6
133.02927	1.8
137.09700	2.1
145.44057	1.6
147.03194	4.1
148.03979	1.9
150.05547	3.5
155.10794	13.6
158.02502	7.6
159.02945	1.7
160.04077	11.1
161.04655	3.1
162.05569	5.5
164.04761	3.1
174.05493	3.3
176.03534	10.7
176.07079	3.9
179.07104	2.2
183.09167	2.1
184.07669	2.2
190.05083	22.8
191.05583	3.1
192.06563	1.5
196.11310	2.2
197.07114	1.7
198.04242	1.7
199.09875	11.4
209.07111	2.4
211.12358	6.2
212.05870	4.1
212.10777	3.5
213.06718	2.7
213.10214	2.0
215.11842	5.8
220.02538	2.8
223.08667	4.3
224.09492	16.2
225.07990	2.4
226.07408	4.8
227.08147	5.5
234.03835	2.3
234.07503	1.4
239.08194	4.2
239.11861	34.5
240.10397	7.2
240.12329	2.0
241.09781	10.5
248.58322	1.5
250.07388	2.6
253.06171	27.7
253.14368	1.9
254.06650	3.3
255.07677	4.3
255.11369	8.9
256.08420	3.4
265.09668	4.0
266.07761	2.2
267.07803	8.5
268.08472	12.7
269.08817	2.2
271.15521	8.9
281.09283	8.4
283.10873	83.2
284.11270	7.6
306.07257	2.7
309.08856	20.9
310.09030	3.0
311.06708	1.4
315.13071	2.4
327.09839	100.0
328.10184	11.4
341.11349	4.1
353.07651	4.8
359.12372	5.9
361.22247	5.0
371.08826	73.5
372.08899	9.8
403.11270	47.0
403.19565	5.6
403.23770	2.3
404.11560	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	402.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14538	0.3
59.01394	1.4
61.98831	100.0
64.10149	0.3
65.65887	0.3
71.52277	0.6
86.08928	0.3
119.69557	0.3
121.02962	0.5
200.35017	0.3
317.21246	6.7
318.21579	1.0
402.18976	40.2
403.19373	5.8
403.24835	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66216	0.4
59.01377	0.5
61.98830	100.0
69.24420	2.2
69.24841	1.0
87.63607	0.3
98.19916	0.6
121.02932	0.4
230.63284	0.4
242.27861	0.4
266.10648	0.4
317.21225	10.6
318.21570	1.3
402.18961	44.5
403.19284	6.0
403.24454	0.7
409.63303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68428	3.8
61.98821	14.7
68.67449	3.3
74.23051	4.2
83.18288	3.6
126.83176	3.7
127.65659	3.5
401.26920	3.7
402.27258	100.0
403.27527	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	403.1033
Annotation	5,7-Dihydroxy-3,6,8,3',4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
50.65490	0.8
59.01371	4.7
61.98822	4.7
69.15729	6.5
69.16154	3.6
70.35570	0.8
80.04829	0.9
122.22086	1.0
125.90674	1.0
148.01651	7.0
151.97452	1.9
153.05554	5.6
163.03996	7.2
179.97021	1.9
192.97800	3.3
194.99323	3.2
200.01126	2.7
208.00078	1.4
216.00620	3.0
216.04893	2.1
228.00616	6.5
231.03006	1.0
241.01369	1.3
243.02914	1.9
244.00099	4.1
248.14116	1.3
249.04634	1.3
256.00125	3.9
259.02444	8.1
271.02429	4.3
271.99536	5.6
272.99646	1.1
283.99603	4.6
287.01929	5.5
297.00317	1.2
299.01849	6.1
299.99164	18.3
300.02402	1.4
300.99377	1.1
301.03351	1.6
302.04443	1.2
306.10788	1.3
314.04184	1.6
315.01437	44.1
316.01718	3.2
316.13754	10.1
327.98608	2.7
330.00153	0.8
330.03763	22.6
331.04071	2.3
343.00925	22.4
343.05048	1.4
343.18826	2.6
344.01169	2.9
345.06158	3.0
357.02283	1.5
358.03256	42.9
359.03635	5.8
359.14386	2.8
372.98575	1.5
373.05618	65.6
374.06104	7.8
388.07983	100.0
389.08344	13.0
403.10318	51.1
403.18597	1.2
403.24915	2.7
404.10556	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2906
Annotation	oscr#28
Peak:m/z	Relative Intensity
59.01366	2.1
61.98817	3.2
71.01385	1.1
72.99303	17.9
75.00871	51.1
76.01189	0.7
79.95708	1.4
80.96499	2.5
99.04520	1.1
118.72043	0.7
121.02966	7.5
199.13272	0.8
229.11786	1.2
279.26831	0.8
313.07059	2.0
325.27423	17.7
326.27789	2.3
339.29059	5.2
349.69781	0.7
355.28464	3.6
356.28766	0.9
401.08813	1.8
401.18262	2.5
401.23563	9.6
401.29028	100.0
401.69193	2.3
402.29407	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	402.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26184	0.5
58.71768	0.5
61.98830	100.0
71.52985	0.6
99.92598	2.2
115.92066	4.2
116.92098	2.6
124.41550	0.5
201.74684	0.6
250.42102	0.7
301.21716	9.2
302.22189	1.9
320.64902	0.6
401.27136	1.2
402.15195	9.6
402.27121	8.5
403.14697	1.9
403.28323	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	402.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
61.98828	100.0
69.25223	1.5
69.25645	3.5
70.78586	0.4
71.30904	0.5
109.67381	0.5
115.92103	0.8
121.02965	1.7
122.03259	1.4
129.94287	0.5
134.03761	0.6
135.04549	0.6
149.06058	1.5
159.67023	0.7
190.09998	1.3
192.04320	0.5
216.04767	0.5
216.79645	0.5
228.11647	0.5
236.33243	0.5
248.14091	1.0
250.89706	0.5
254.66594	0.5
276.13562	0.9
299.13095	0.6
304.19876	1.0
315.15866	0.7
316.13632	1.1
317.21109	4.7
318.21567	1.2
327.19632	0.7
345.20612	1.6
385.24020	0.6
402.18945	36.7
403.19293	5.3
403.24823	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	402.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
61.93349	0.3
61.98829	100.0
83.70480	0.4
121.02959	1.2
122.03297	0.7
133.03009	0.4
134.91858	0.4
160.42589	0.3
162.77821	0.4
178.33041	0.4
184.75322	0.3
192.04312	0.7
248.14188	0.6
317.21228	5.7
318.21555	0.9
387.80167	0.4
402.18964	38.3
403.19348	5.2
403.24966	1.5
421.43991	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50438	0.3
60.56429	0.4
68.86168	0.3
71.14244	0.9
73.64827	0.3
99.04510	0.6
101.06080	0.8
103.35447	0.4
111.55267	0.3
188.72243	0.4
211.24561	0.3
215.33307	0.4
240.12958	0.4
251.00996	0.4
301.20859	0.8
378.53888	0.5
388.22037	0.4
401.26517	100.0
402.26993	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	1.0
69.63597	1.8
87.05089	0.4
96.90124	0.4
97.54898	0.4
102.77140	0.4
140.39540	0.4
165.93965	0.4
195.95773	0.4
252.76036	0.4
267.67371	0.4
268.68607	0.5
301.21725	0.7
368.44128	0.4
401.26926	100.0
402.27280	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	401.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93652	0.4
84.11728	0.4
86.50059	0.4
98.19844	0.7
126.39130	0.5
138.65009	0.5
168.21495	0.5
289.24838	0.5
314.04898	0.5
322.89725	0.4
401.26941	100.0
402.27267	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	401.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.5
61.98833	1.3
64.79330	0.6
71.01381	2.9
71.52810	0.9
73.02946	1.0
79.95737	1.1
85.02972	1.8
87.00899	1.0
89.02445	0.9
93.03437	0.9
95.95229	1.8
96.95994	4.0
101.02444	3.5
101.94549	0.6
113.02441	0.9
121.02963	16.9
161.04559	1.5
162.29858	0.6
173.04639	0.7
178.62115	0.6
181.06717	1.0
191.05634	1.0
197.09738	0.7
225.05699	1.1
238.32393	0.5
269.13864	1.0
309.10211	0.7
313.07175	5.3
314.21307	3.6
319.19113	2.5
344.22284	65.0
345.22623	8.7
357.05945	1.9
371.23349	11.7
372.23770	1.7
374.23361	3.6
401.09299	4.1
401.20090	5.0
401.24438	100.0
402.20065	0.6
402.24750	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	401.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34841	1.0
54.01917	1.0
57.03445	2.7
58.00579	3.5
59.01378	100.0
60.01705	1.2
68.15066	1.4
70.42559	2.4
71.01380	54.0
71.04969	1.1
72.01711	1.4
72.99300	3.5
73.02929	2.1
78.95914	1.5
82.90231	1.1
83.01385	2.7
85.02948	11.8
87.00874	2.0
89.02445	60.6
90.02762	1.6
92.69367	1.2
95.01370	5.0
97.06618	1.6
101.02442	35.6
104.70087	1.3
113.02454	19.1
119.03494	32.2
121.02934	5.5
131.03484	2.2
141.12901	3.1
143.03459	2.2
149.04529	2.9
161.04572	3.3
173.04507	1.7
177.16478	27.3
178.16852	2.1
179.05664	5.6
191.05656	1.3
221.15459	25.8
222.15863	2.3
225.05586	2.2
239.16512	14.7
269.13956	1.2
269.17255	1.8
327.21744	2.3
354.31973	1.2
401.08829	2.5
401.21747	48.7
401.26782	3.0
402.22433	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	401.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80034	0.4
59.01388	1.8
59.23112	0.4
61.98828	8.5
66.14379	0.4
71.52723	0.8
83.05027	4.7
87.00865	0.4
91.85097	0.4
96.96020	0.4
102.37079	0.4
121.02953	7.9
134.46240	0.5
140.94531	0.4
181.06599	0.7
225.05746	0.5
255.23274	0.5
313.07144	1.6
317.21332	0.8
319.22754	100.0
320.23105	14.0
357.06216	0.8
401.08774	2.1
401.23035	40.5
402.18829	3.1
402.23468	5.3
418.32968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.1
61.98797	1.0
66.71291	0.5
71.01359	0.6
72.99278	1.0
101.02424	0.7
103.16771	0.5
119.05031	1.2
121.02955	10.5
122.03304	0.7
153.37189	0.5
216.44337	0.5
225.05591	0.6
234.73912	0.5
268.32999	0.5
269.13910	0.7
313.07120	3.3
319.22757	100.0
320.23093	15.2
357.06128	0.7
395.99554	0.6
401.08969	2.8
401.23099	51.3
402.09299	0.8
402.23474	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	401.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.1
61.98815	1.6
63.15337	0.5
71.53315	0.7
71.53697	0.7
74.12614	0.5
78.95913	0.9
85.02974	0.6
86.25787	0.6
99.04520	48.9
100.04854	1.2
102.50621	0.5
112.37589	0.5
121.02956	5.6
151.13054	0.5
222.97044	0.6
257.19086	1.2
313.07220	1.9
319.19037	3.7
401.08926	2.2
401.23260	100.0
402.19031	0.7
402.23605	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	401.2331
Annotation	Dehydrocholic acid
Peak:m/z	Relative Intensity
53.62859	0.5
59.01395	0.5
61.73842	0.5
61.98829	1.7
70.07694	2.1
70.72505	0.6
71.01399	0.7
91.07951	0.5
99.04516	35.1
100.04848	0.7
121.02967	6.5
251.64714	0.5
255.17496	1.7
257.15640	0.9
273.18576	2.4
300.17328	0.9
301.18127	3.7
313.07236	1.7
355.22748	1.6
401.08817	2.1
401.23294	100.0
402.18961	1.2
402.23611	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	401.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45211	0.7
57.03451	4.4
58.00588	0.9
59.01379	40.5
60.01712	0.8
68.99792	0.8
69.03439	1.5
71.01384	3.4
73.02942	1.6
79.95722	2.2
80.59029	0.7
80.96518	1.6
83.05019	2.5
85.02937	2.8
87.00874	3.6
87.04504	2.4
89.02438	1.3
93.03436	2.8
95.05017	1.3
96.95978	1.3
97.06562	1.4
99.04527	0.9
101.02451	1.9
102.98555	1.0
109.06595	1.2
113.02396	1.3
131.03471	1.6
149.04527	3.4
149.05879	0.8
162.03218	2.4
163.11237	1.1
165.12860	12.5
167.07062	0.9
173.04520	0.8
177.05563	1.5
181.12344	2.7
182.12614	1.0
189.12921	1.0
191.05574	8.6
192.05966	1.8
198.07230	0.9
207.13870	5.4
209.11827	14.6
210.12157	1.4
223.06200	0.8
225.14920	6.1
251.12997	1.9
266.06918	1.9
269.13919	100.0
270.14288	10.7
281.09244	2.5
313.11951	1.4
359.20712	1.8
401.13199	1.1
401.18060	14.0
402.18274	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	8.4
57.43769	4.0
59.01379	100.0
59.06574	4.5
63.24632	3.8
63.89020	3.9
70.19503	9.9
71.01373	12.8
73.02940	7.2
83.01377	4.9
85.02952	9.8
87.00858	4.2
93.03439	7.3
101.02441	12.6
102.44130	3.5
113.02409	6.0
121.02946	45.4
129.01924	6.9
137.09706	4.4
147.02969	14.0
149.04520	4.7
165.12836	9.6
169.80511	4.1
173.04506	6.6
181.06570	4.7
183.13864	12.3
191.05568	15.3
192.05894	6.0
209.11758	4.9
227.12766	11.0
269.13754	6.9
269.17526	40.0
271.17270	10.0
313.07156	11.3
315.17975	13.8
332.60965	4.5
357.15683	4.7
401.08884	10.2
401.21506	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	401.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.6
59.01381	53.3
60.01729	1.4
69.03454	1.1
71.01353	1.3
73.02931	2.9
82.23613	1.0
87.00877	1.0
89.02459	8.5
99.04541	1.6
102.45702	0.9
103.04008	2.0
109.06602	1.4
146.71132	0.9
149.04559	32.3
165.12840	7.6
191.10751	1.6
207.13876	9.6
209.11852	10.8
210.12099	1.5
225.14967	6.3
251.12877	7.7
269.13931	100.0
270.14240	13.6
282.14258	1.0
319.53259	1.0
349.86380	1.0
350.65524	1.0
401.18146	32.4
402.18600	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55254	0.8
52.53771	0.7
54.97729	0.8
57.03448	1.8
59.01377	58.5
64.86851	0.7
65.91798	0.7
69.53672	3.6
69.54077	1.9
71.01395	1.9
73.02944	3.3
87.00874	1.5
87.35493	0.9
89.02444	10.7
99.04510	3.1
101.02441	1.0
103.04009	3.6
109.06548	1.2
110.46751	0.8
116.16840	0.8
120.80197	0.8
131.03511	1.8
149.04553	61.3
150.04895	2.5
153.01930	2.5
165.12848	8.0
189.12727	1.4
191.05635	3.0
205.42308	0.8
207.13873	9.7
209.11789	9.5
225.14983	5.2
251.12935	5.9
269.13925	100.0
270.14316	7.3
401.18140	20.6
402.18384	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	401.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.2
57.03437	4.0
59.01381	29.6
59.14156	1.0
70.39739	1.2
70.40081	3.4
71.01380	34.9
72.90910	1.1
72.99306	2.0
73.02943	13.6
75.73363	1.1
79.69437	0.8
83.01387	8.1
85.02948	21.6
87.00878	1.5
89.02441	9.0
90.98580	0.9
95.01387	2.7
97.02955	1.0
99.00883	4.5
101.02442	32.1
113.02453	15.7
119.03517	2.7
123.08172	1.1
143.03543	1.6
159.02989	2.0
161.04568	7.8
195.13887	4.8
239.12772	1.2
357.19299	2.2
401.18143	100.0
402.18500	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.7
57.33995	3.1
59.01379	100.0
71.01400	12.9
71.32119	4.2
71.32439	3.7
85.02953	8.7
85.92513	2.9
89.02459	5.4
101.02436	10.3
121.02986	31.8
129.01888	6.2
147.02989	6.8
161.04485	6.0
163.11647	3.5
165.12865	4.8
173.86082	3.2
174.11922	3.0
183.13847	12.8
209.11688	3.9
225.05753	3.4
227.12877	10.1
230.06549	3.2
269.13980	5.0
269.17523	10.9
285.72073	3.4
313.07047	11.0
315.18079	19.5
357.05884	4.2
357.15387	5.2
376.32977	3.2
401.08844	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74689	0.6
57.03447	4.8
59.01376	42.4
60.01714	0.7
60.99286	0.7
63.98396	0.6
69.03450	2.5
69.29865	6.1
83.05018	2.6
87.00863	3.7
97.06585	0.8
127.75517	0.6
131.03514	1.9
133.16498	0.7
149.04507	1.6
163.11256	0.8
163.14926	0.6
164.86859	0.8
165.12846	16.5
166.13168	0.8
181.12325	2.7
183.13849	2.8
189.12846	1.0
191.05574	1.8
207.13850	7.4
209.11826	17.4
210.12144	1.1
215.10643	0.7
225.14992	6.3
226.15147	1.0
227.12740	3.2
251.12849	2.7
269.13913	100.0
270.14288	8.9
287.86383	0.6
292.64499	0.7
334.32117	0.7
345.65970	0.8
399.06161	0.6
401.18124	28.0
402.18387	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	401.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.1
57.03437	3.6
58.00595	1.5
59.01380	100.0
60.01710	1.4
64.29611	0.9
69.56193	3.8
69.56605	2.8
71.01381	31.9
71.66836	1.0
72.99306	2.5
73.02946	11.5
75.28326	0.9
83.01384	7.1
85.02952	17.3
86.00092	1.0
87.00879	3.2
87.43485	1.0
89.02452	13.5
95.01361	4.3
98.19974	1.6
99.00877	5.5
101.02442	30.3
109.06565	1.7
113.02448	14.3
116.72234	1.0
119.03497	5.6
120.99645	7.0
146.03735	18.6
153.09190	3.1
159.02965	2.6
159.35384	1.0
161.04546	10.4
161.06061	14.1
162.06392	1.1
179.05624	1.6
179.07117	29.3
180.07413	2.6
195.13867	5.1
221.11855	3.4
235.08260	1.3
239.12779	1.7
240.27905	1.0
243.68262	1.1
357.19116	1.6
401.18137	71.3
402.18457	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	12.6
59.01110	7.8
59.01378	96.8
63.52236	4.8
68.62991	4.6
69.03438	4.5
70.65781	5.4
71.01369	28.0
71.04987	5.7
71.52654	7.0
73.02927	10.3
75.00851	6.1
79.95766	6.6
83.01389	9.2
85.02939	14.4
87.00858	22.1
89.02464	5.9
93.03472	27.8
96.40275	5.6
96.95988	6.0
97.06576	7.8
99.00867	7.9
101.02441	8.9
102.98518	5.9
111.00877	14.2
113.02425	9.0
120.99633	10.1
129.01886	9.5
132.02171	6.4
135.04449	7.3
149.04555	24.9
154.47235	5.6
156.10751	5.5
163.03880	5.8
165.12833	49.2
173.04521	21.6
176.03906	8.0
183.13892	100.0
191.05576	45.0
192.05972	8.9
200.27937	5.9
202.73589	6.4
207.13829	14.9
209.11778	22.4
225.14938	5.9
227.11028	7.4
227.12921	67.6
228.13194	9.8
251.12827	6.4
269.13904	93.5
269.17468	26.3
297.43643	5.4
324.82690	5.3
401.12729	10.0
401.17838	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	401.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05341	0.3
51.70473	0.3
55.01881	1.7
57.03453	2.2
58.00602	0.9
59.01380	100.0
60.01721	1.1
68.09064	0.3
70.66990	0.8
70.67310	0.6
71.01382	20.5
72.99324	1.0
73.02948	4.7
83.01384	2.4
85.02953	7.9
87.00894	0.9
89.02441	9.4
89.02943	0.7
95.01394	1.7
97.02980	0.7
99.00906	1.9
101.02442	13.9
102.02788	0.4
109.06590	0.6
111.00888	0.4
113.01720	0.6
113.02457	7.2
119.03494	3.2
120.99632	2.2
121.06615	0.7
122.03716	0.6
124.05301	1.9
129.01933	0.5
131.03523	0.9
135.04552	0.9
137.06100	1.0
139.07648	12.7
143.03534	0.9
146.03732	17.7
147.04234	0.8
149.09787	0.6
151.07585	0.4
153.09149	0.5
159.03006	1.4
161.04573	5.0
161.06094	7.0
162.06468	0.6
163.04050	0.5
164.04793	10.2
165.05228	0.5
168.07915	6.5
169.08551	0.4
176.95367	0.4
179.07132	48.4
180.07426	3.0
191.10791	5.1
195.13931	1.3
209.11662	1.8
221.11830	3.4
239.12907	3.9
299.52347	0.4
371.17233	0.9
401.18152	27.7
402.18506	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	401.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28378	0.5
61.98830	11.3
66.47125	0.4
67.59684	0.4
69.62617	0.9
69.63021	1.4
98.22242	0.4
99.92580	18.3
100.92626	1.5
100.93351	9.6
100.93974	0.8
101.93412	0.7
115.92075	59.3
116.92078	3.0
116.92868	6.8
117.92884	0.4
117.93697	0.5
117.94644	0.4
121.02942	0.9
124.76798	0.4
132.92351	0.5
197.97392	0.4
212.98633	0.8
244.80498	0.5
271.20746	0.8
301.21600	1.4
383.13022	1.9
400.25543	0.6
401.14252	100.0
401.26843	51.0
402.14374	20.3
402.27075	6.0
415.12204	2.7
416.12741	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57608	2.3
59.01377	55.4
61.28060	2.6
61.98825	28.4
71.01385	34.6
72.99298	5.5
73.02946	16.5
74.26131	2.5
75.00870	4.9
83.01370	5.5
85.02928	16.6
87.00348	4.1
87.00870	57.2
88.04033	2.6
89.02446	10.8
93.03453	4.9
101.02430	23.7
109.02963	3.4
113.02446	12.1
116.34725	2.3
119.03478	4.0
119.05002	5.8
119.41061	2.4
120.99659	15.8
123.00876	9.1
135.04552	7.0
137.02460	5.8
138.03264	3.2
138.28204	3.1
139.07663	3.1
146.03716	5.5
147.04588	2.9
149.02431	3.7
151.00363	4.2
151.03998	4.1
153.05542	3.5
154.53076	2.5
161.02425	8.4
161.04536	7.5
161.06052	3.1
163.04047	24.1
164.04814	22.8
166.02702	9.6
173.02399	3.6
176.04814	13.5
177.01929	5.5
177.05534	5.0
178.06322	22.7
179.03510	9.6
179.05658	3.0
179.07121	58.0
180.07431	4.8
181.05032	13.9
187.03952	3.8
191.03551	17.4
191.05281	3.8
191.07152	11.3
192.04042	2.8
193.05043	14.6
193.08699	3.6
194.05811	9.0
197.08240	2.9
203.03474	9.2
204.04181	3.6
205.05077	9.6
206.05850	8.5
207.06583	4.6
208.07332	3.1
209.08150	11.9
218.05782	4.9
219.02950	6.3
221.04544	8.1
221.08174	7.5
222.05367	3.0
234.05345	4.1
237.07709	4.7
238.04774	3.7
240.12152	3.2
247.02599	5.4
247.05972	4.8
249.07748	5.5
250.04709	2.7
251.09268	3.7
261.07578	3.2
262.04831	15.0
265.07162	71.1
266.07382	5.9
277.07181	35.8
295.08200	85.5
296.08688	5.2
317.08969	2.8
321.17926	3.0
331.15781	2.8
341.10776	7.2
355.10333	25.2
357.18024	3.1
383.09674	5.9
401.10864	100.0
401.18127	28.5
401.26160	4.9
402.11072	14.3
402.18832	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	401.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	88.4
59.36174	8.8
62.82767	9.4
65.00456	8.5
69.82567	21.8
69.82977	29.0
70.01407	8.9
71.01394	56.7
77.44584	9.6
85.02971	9.2
87.00876	14.6
89.02448	97.7
94.95709	10.3
97.94315	9.4
98.20582	10.9
101.02430	29.3
110.00272	10.1
113.02469	17.9
117.19556	9.2
119.03484	20.6
123.29070	9.3
126.98892	15.2
149.04575	84.9
179.05545	25.7
192.57285	11.0
341.10876	100.0
346.17505	9.7
399.62329	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	399.2539
Annotation	16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone
Peak:m/z	Relative Intensity
59.01379	0.5
60.88715	0.3
66.54050	0.2
67.10789	0.3
68.06097	0.2
69.53816	1.7
76.57637	0.3
98.62456	0.3
98.95616	0.3
99.04514	1.8
130.61763	0.3
226.09416	0.3
228.12376	0.3
299.20200	0.9
399.25397	100.0
399.79733	0.3
400.25729	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	399.254
Annotation	16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone
Peak:m/z	Relative Intensity
59.01381	0.7
59.05698	0.4
71.50943	0.9
98.95599	0.7
118.99449	0.5
120.23114	0.5
162.02734	0.5
171.87508	0.5
200.20743	0.5
243.22859	0.5
246.32932	0.5
249.24344	0.5
299.19974	1.1
348.55014	0.6
377.90820	0.6
399.25397	100.0
400.25714	19.3
400.31128	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85889	1.2
84.37317	0.3
87.18198	0.3
95.54781	0.3
99.04522	1.5
100.28429	0.3
102.40683	0.3
117.11852	0.4
143.02431	0.3
161.61540	0.3
192.32826	0.3
203.40054	0.3
270.35617	0.3
299.20111	0.8
302.99551	0.3
399.25366	100.0
400.25702	16.6
400.31097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2538
Annotation	16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone
Peak:m/z	Relative Intensity
71.28352	0.8
71.47814	0.5
76.99889	0.6
78.49959	0.5
81.03442	4.8
99.04523	0.9
112.98881	0.5
155.36441	0.5
299.19965	1.2
317.21231	4.7
318.21408	0.8
399.25381	100.0
400.25702	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	399.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.9
61.98806	0.7
67.82774	0.7
71.51960	0.7
71.52345	0.8
87.00876	7.9
102.09888	0.8
104.50953	0.7
107.03181	0.8
135.24608	0.7
191.05481	0.8
251.23819	2.2
277.25470	0.8
287.20102	2.0
293.28586	2.0
299.20145	0.7
311.25888	7.8
312.26306	1.4
317.21268	8.1
318.21527	1.0
337.27466	100.0
338.27817	15.3
399.21640	1.7
399.25430	23.2
400.25763	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	400.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
61.98829	100.0
71.52752	0.4
112.42483	0.3
121.02980	2.4
125.98086	0.8
138.12022	0.3
138.98982	0.3
191.05603	0.4
213.49353	0.3
219.93900	0.3
313.07242	0.7
315.19614	9.1
316.19907	1.5
318.21469	0.7
357.06177	0.5
400.17386	42.0
400.25290	1.9
401.09058	0.7
401.17712	5.7
401.23196	1.4
421.67554	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47146	0.5
66.63851	0.4
69.39431	0.4
69.42562	3.7
77.54086	0.5
78.41526	0.4
80.03539	0.4
98.19930	1.1
99.04520	1.4
102.71893	0.5
134.09328	0.4
147.43677	0.5
154.01891	0.5
251.45570	0.6
299.20059	2.5
300.20523	0.6
346.46710	0.6
399.25372	100.0
400.25720	17.1
400.31003	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51375	0.8
55.01880	8.9
57.03450	17.8
57.47519	0.6
58.00595	7.5
59.01379	46.4
62.54372	0.8
67.01888	2.3
68.99816	2.9
69.03454	15.6
71.01381	100.0
71.05015	4.3
71.52663	0.8
72.01708	2.1
72.02126	1.0
72.99300	3.1
73.02947	81.8
74.03281	1.0
79.01885	1.2
81.03456	3.9
83.01387	30.2
83.05021	1.7
84.01719	1.0
84.02174	1.8
85.02951	53.7
85.06580	1.6
86.00101	6.7
86.03275	1.1
87.00356	0.7
87.00881	18.8
87.04517	40.9
88.01643	1.1
88.04882	1.3
89.01910	0.7
89.02445	15.1
92.36620	1.0
93.03450	3.8
95.01387	15.8
96.99322	0.8
97.02954	11.6
97.06604	1.9
99.00883	23.0
99.04523	2.2
100.01667	2.6
101.02443	91.7
101.06072	1.9
102.02763	2.6
106.86953	0.7
109.06580	1.4
110.00143	0.8
111.00881	46.6
111.08159	0.9
112.01709	9.5
113.02451	50.9
114.02771	1.6
115.00394	1.2
115.07649	2.1
116.01139	1.7
119.03493	3.3
123.00891	0.8
123.08105	1.3
124.01633	3.9
125.02449	16.7
127.07671	4.9
131.03490	0.8
133.03000	1.2
133.10246	2.2
135.04512	1.9
137.09669	0.9
139.11299	4.4
140.47917	0.8
141.01971	3.6
142.02718	3.6
143.03503	9.3
149.04568	10.7
151.11290	5.1
153.12927	1.1
155.07095	1.4
158.02155	1.2
161.04625	4.4
161.13293	1.8
163.11252	0.9
167.14449	2.2
169.12343	19.5
173.04509	3.8
176.04138	1.1
179.03432	0.9
179.14420	7.3
181.12376	3.5
183.13861	5.5
185.13910	0.9
185.15440	4.6
185.42957	0.7
189.12892	0.8
191.05588	7.0
195.13766	1.1
203.10620	0.8
203.14355	1.7
205.15822	0.9
211.17007	4.8
215.10666	1.0
221.15483	2.3
223.13431	5.2
227.16522	8.1
233.11771	1.5
237.18710	1.3
239.16483	14.2
240.16896	0.8
255.19644	15.2
256.20007	1.5
267.12604	5.6
267.15897	8.3
279.19684	1.6
293.17468	0.9
297.17316	1.4
297.20547	9.8
298.20908	1.2
311.18549	3.1
321.20724	2.0
325.20169	1.4
329.19684	14.5
330.19925	1.4
351.21530	1.0
363.21896	1.3
381.22781	10.7
382.23047	1.2
399.23880	91.6
400.24231	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	399.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57880	0.5
59.01377	2.3
61.98819	1.2
71.52986	0.9
94.88874	0.5
105.01948	0.6
170.27612	0.6
182.94560	0.5
211.88728	0.5
317.21179	100.0
318.21524	13.9
358.43231	0.5
399.21445	37.4
399.25638	7.3
400.21542	5.3
400.25842	1.5
424.03662	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66213	0.6
59.01371	2.9
61.98810	0.7
64.46108	0.6
70.92998	1.4
78.14398	0.5
82.21686	0.6
83.05054	0.6
84.15587	0.6
85.02958	0.6
97.41341	0.5
101.31624	0.6
118.07401	0.6
141.57425	0.6
171.13464	0.6
255.02934	0.7
303.19571	2.0
317.21185	100.0
318.21515	13.9
331.88504	0.6
356.47220	0.5
373.16583	0.5
399.21439	35.0
399.25610	13.5
400.21750	6.2
400.26004	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	399.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01457	0.6
61.98941	0.9
69.24244	2.2
69.24681	1.5
69.28217	0.5
70.44154	0.4
71.14534	0.3
72.13499	0.4
77.63054	0.4
98.19913	0.7
100.09238	0.4
110.06712	0.4
110.53009	0.4
119.79248	0.4
151.07770	0.4
155.93456	0.4
189.96646	0.5
279.54434	0.4
317.21185	100.0
318.21524	13.3
318.25259	0.6
394.28903	0.4
399.21265	35.4
399.25577	6.3
400.21597	5.4
400.25900	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	399.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99691	0.4
59.01377	1.0
61.62144	0.4
61.98813	0.9
62.67370	0.3
71.52618	0.5
78.95871	0.5
84.11275	0.3
99.04475	0.3
101.82644	0.3
106.33024	0.3
114.01201	0.4
114.34440	0.3
133.95291	0.4
141.74901	0.4
150.80185	0.4
201.06264	0.3
247.78188	0.3
317.21191	100.0
318.21527	13.8
399.21451	30.0
399.25641	5.6
400.21606	5.0
400.25934	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60473	0.5
57.03387	18.3
57.03699	1.5
59.01316	12.2
59.01648	1.1
69.03456	3.0
69.38145	0.9
69.38544	2.5
71.01337	1.0
71.04995	0.7
73.02906	1.1
79.05487	0.8
83.05023	2.6
85.02886	0.9
87.00839	0.7
89.02433	2.2
93.03433	1.0
96.95968	1.1
101.00016	0.5
101.02367	0.8
111.08073	2.2
113.02401	0.5
120.99656	5.9
121.06438	0.6
131.03461	0.9
134.03737	0.6
135.04488	0.8
137.09642	2.0
149.04559	10.5
151.07567	1.4
153.12785	1.5
161.13393	0.6
163.11153	0.5
164.04712	0.7
171.11787	1.0
173.04509	1.0
173.09744	1.0
177.05414	0.6
177.31058	0.5
179.03484	0.5
180.04196	0.5
189.12819	4.8
190.13208	0.6
191.05580	3.9
195.06535	0.5
195.74214	0.5
201.05002	0.5
205.15909	1.8
207.10220	0.5
207.13872	0.9
218.33096	0.5
219.10374	3.2
221.15714	0.4
223.13425	6.5
224.13576	0.6
233.11720	1.2
234.11870	0.5
249.14986	0.6
267.12585	5.4
267.15994	100.0
268.16321	10.5
277.10757	9.7
278.11050	1.0
311.09552	2.3
377.09665	0.6
399.11368	2.6
399.20377	19.5
399.25040	1.3
400.20700	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	399.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.5
59.01377	73.6
61.98811	0.9
69.03455	3.6
69.61150	2.6
69.61573	4.5
71.01373	6.3
71.05015	1.5
73.02957	6.8
80.70917	1.1
81.76611	1.0
83.05009	2.4
85.02949	2.2
87.00877	3.8
89.02446	16.7
93.03468	2.6
93.35957	1.0
96.96034	2.7
98.20647	1.2
101.02438	2.2
103.04002	4.4
107.04997	1.9
107.08700	1.0
109.06599	4.6
110.03732	1.0
111.04564	1.6
120.99657	22.1
125.06113	3.9
131.03497	1.9
133.02902	1.3
135.04529	1.2
149.04550	100.0
150.04901	4.0
151.07686	2.2
154.12694	1.3
161.13382	2.6
163.11275	1.5
171.11725	1.3
173.04562	2.1
173.09703	1.4
177.12965	1.3
187.11269	2.0
189.09070	1.4
189.12805	9.8
191.05600	9.5
205.12337	2.0
205.15945	3.3
207.10263	1.7
219.10274	3.1
223.13390	47.1
224.13718	5.7
231.71034	1.2
233.11853	3.4
238.77411	1.2
249.11353	1.4
266.51208	1.1
267.12369	26.6
267.15982	22.0
268.12613	2.3
268.16388	1.6
277.10773	26.0
278.11157	3.4
311.09653	1.8
323.53690	1.0
335.01981	1.3
399.11047	7.6
399.16446	8.3
399.20358	6.8
400.20706	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31975	1.0
57.03434	3.1
59.01376	100.0
64.37201	0.8
67.89075	0.9
69.03452	1.8
69.48475	2.2
69.48876	6.1
71.01372	10.7
71.05014	1.5
73.02939	5.1
83.01394	1.0
83.05019	1.6
85.02943	8.4
87.00886	5.1
87.04498	3.5
89.02431	12.7
95.01389	1.8
98.19852	1.8
99.00828	1.2
101.02462	1.9
103.04009	3.6
103.53426	1.0
113.01705	1.4
113.02443	12.5
129.58910	0.9
131.03490	1.7
136.36400	1.0
149.04550	55.2
150.04849	2.6
161.13371	2.7
163.11269	1.5
173.04507	1.5
184.48056	1.0
191.05644	1.9
207.10257	2.2
223.13374	63.7
224.13727	5.5
267.12363	25.3
267.15729	2.9
268.12766	1.4
357.23236	1.1
399.16507	16.8
399.24243	2.2
400.16895	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	399.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.9
59.01378	100.0
59.95490	1.2
60.08416	1.2
66.18180	1.0
68.38420	1.3
69.03452	2.2
69.42938	7.9
71.01369	6.0
71.05000	1.7
73.02950	5.6
73.03303	1.2
78.78097	1.1
85.02958	3.2
87.00872	3.5
89.02451	18.3
91.96532	1.5
95.01405	1.3
98.20721	2.4
101.02440	1.6
103.03980	3.9
106.98601	1.2
113.02450	4.4
131.03482	2.0
149.04553	85.0
150.04881	4.3
161.09657	1.3
163.11327	1.5
186.65036	1.1
207.10373	1.8
223.13385	69.3
224.13701	7.4
261.77066	1.0
267.12338	24.1
268.12701	2.6
276.31915	1.2
287.26068	1.2
399.16562	46.7
399.24115	2.0
400.17010	8.0
408.87082	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11693	1.2
55.42934	1.3
57.03442	1.9
59.01379	73.6
69.03461	1.6
70.64859	3.3
71.01406	3.4
71.68555	1.1
73.02950	2.3
81.03484	1.2
83.05048	1.5
85.02969	2.3
87.00887	2.2
89.02460	3.6
99.04534	2.5
101.02480	1.1
107.05059	4.5
109.06652	3.7
119.05071	2.2
131.03539	2.0
135.04532	1.3
135.07318	1.2
135.08214	5.0
137.09718	43.3
138.10083	1.9
148.73744	1.1
149.04572	17.3
161.04617	1.5
181.05147	3.5
205.15964	54.4
206.16400	4.6
223.13376	30.5
224.13815	2.1
265.95663	1.1
267.12579	24.2
267.16147	100.0
268.13153	1.9
268.16541	7.2
399.16931	3.7
399.20523	38.7
399.25586	2.0
400.20795	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	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.5
59.01379	100.0
60.01707	1.3
65.21326	1.1
69.03465	2.0
69.23096	10.7
71.01374	6.8
71.05045	2.1
73.02932	4.6
83.01378	1.5
83.04994	2.0
85.02950	4.0
87.00883	4.6
89.02446	13.6
93.03461	10.8
96.95975	1.6
97.30666	1.0
101.02456	2.1
103.04002	3.1
111.04501	1.7
113.02435	2.9
120.99683	1.5
131.03510	1.6
133.02946	1.3
135.04518	2.4
137.02455	3.7
139.13855	1.2
149.04550	88.5
150.04893	3.4
161.13341	3.5
163.11261	1.5
173.04535	15.2
174.04980	1.3
176.04012	1.2
181.12395	1.3
187.11163	1.2
189.12772	1.4
191.05605	14.8
202.15335	1.2
205.12317	1.8
207.10271	1.8
210.42133	1.2
223.13383	69.4
224.13702	6.9
234.95120	1.1
267.12378	41.3
267.15787	6.8
268.12799	1.9
390.03418	1.3
399.16483	26.5
399.21091	1.9
400.16968	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	399.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.5
57.03449	14.9
58.00592	1.7
59.01379	58.6
64.45249	1.5
69.03449	5.8
71.01381	65.5
71.51794	2.5
72.99303	3.8
73.02954	15.3
75.00866	1.8
78.95869	1.6
81.03462	1.8
83.01384	6.6
83.05030	4.0
84.98593	1.6
85.02456	2.4
85.02946	31.5
87.00858	3.9
88.04053	1.6
89.02440	39.7
93.03450	3.5
95.01356	5.4
96.96005	2.3
97.02889	1.7
99.00868	5.5
99.04507	1.9
101.02445	37.7
107.05002	1.6
113.01712	2.3
113.02449	26.5
119.03495	13.6
119.05027	4.2
120.99657	65.0
121.02906	1.8
121.06597	2.3
123.08179	7.1
125.91602	1.3
131.03473	1.7
132.05788	3.3
133.06563	2.7
133.10172	3.1
134.03716	6.0
134.83565	1.4
135.08151	3.6
143.03511	3.1
149.06050	3.8
151.07634	9.9
159.02937	2.7
161.04553	18.2
162.03226	33.6
163.03682	1.7
171.07973	3.0
171.11798	8.4
173.04532	4.0
173.09702	19.5
177.05571	17.9
179.05602	10.0
180.04301	10.7
187.11240	1.4
189.09200	12.5
189.12842	34.2
190.13191	3.0
191.05602	20.0
193.08751	2.0
195.06610	45.3
196.06874	1.9
201.09233	20.8
215.10770	3.5
219.10242	37.4
220.10513	2.8
233.11842	11.1
237.11295	23.8
238.11711	1.7
267.08698	6.2
277.10797	100.0
278.11072	13.1
310.85815	1.3
344.94778	1.5
373.65091	1.4
396.26672	1.4
399.11108	27.9
399.16537	61.4
399.24643	7.5
400.11896	3.2
400.16873	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	399.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11177	1.5
67.75144	1.5
69.03448	4.4
69.29650	13.9
73.16995	1.4
80.46785	1.5
85.72607	1.6
98.20677	3.0
102.67251	1.4
111.73761	1.5
112.94772	1.4
120.99651	62.4
125.02409	1.9
133.10143	2.1
144.14699	1.5
151.07637	10.0
170.11685	1.6
171.11803	5.2
173.09679	3.8
189.12839	31.8
190.13237	1.9
215.10748	4.1
233.11752	9.4
277.10794	100.0
278.11115	7.9
399.11176	21.1
400.11584	3.8
407.40494	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	399.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.6
59.01359	4.8
69.03462	4.5
69.83530	4.8
71.01362	3.1
72.99300	1.0
73.02959	1.1
83.05025	2.2
85.02945	2.3
89.02446	1.8
93.03477	1.5
96.96005	4.2
98.19997	1.9
107.05006	1.2
109.33903	0.9
113.02434	1.5
113.75961	1.0
119.05000	1.7
120.99651	51.3
121.06629	1.4
133.10219	1.9
134.03735	100.0
135.04091	4.3
135.08163	1.7
136.01651	2.4
145.30878	0.9
147.04501	1.8
149.06068	56.9
150.06409	2.4
151.07657	6.8
153.05544	1.7
160.08920	1.2
171.11763	4.1
173.09721	3.1
178.02695	4.1
180.03181	2.1
187.11272	1.9
189.12845	19.8
190.13066	1.6
191.05571	1.3
192.04321	5.0
193.05037	6.4
194.05338	2.6
195.05348	1.3
215.10724	2.2
219.10205	1.4
233.11862	7.0
238.92790	1.0
255.04213	1.0
267.08713	89.0
267.15991	6.0
268.09103	7.9
277.10785	66.9
278.11151	5.8
323.30646	1.1
399.11246	17.0
399.16507	1.9
399.25128	2.6
400.11517	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	399.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05004	1.5
55.67251	1.2
57.03429	1.9
59.01114	2.2
59.01383	29.8
69.03457	4.8
69.98950	1.4
71.01350	1.4
71.29356	3.2
74.99113	1.3
83.04997	2.1
85.02931	2.5
89.25047	1.4
93.03425	2.3
96.96049	1.8
108.91544	1.4
112.32497	1.5
112.67607	1.3
113.02490	1.4
118.98080	3.7
119.04984	1.7
120.99654	45.5
121.06622	2.1
123.08154	1.7
134.03752	3.6
149.06076	2.7
150.16066	1.6
151.07672	6.9
153.93536	1.4
162.03221	87.1
163.03644	5.0
171.11754	6.4
173.04684	1.9
173.09669	3.1
177.05562	100.0
178.05931	6.5
180.04276	9.1
189.12856	24.9
190.13135	3.6
191.05624	5.9
195.06621	14.1
201.60715	1.4
215.10823	2.6
233.11838	8.5
267.08749	2.1
277.10806	76.5
278.11124	7.5
365.79950	1.6
399.11353	19.9
399.16327	2.3
399.25320	4.6
400.11359	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	397.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70137	0.5
59.01374	4.3
61.98841	0.8
71.01387	1.1
83.05040	0.7
89.02478	1.1
90.76019	0.6
92.20732	0.7
97.02998	0.7
101.02454	1.1
129.60626	0.5
149.06201	0.6
315.19635	100.0
316.17233	0.3
316.19962	13.4
397.19885	32.8
398.20276	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	397.2381
Annotation	farnesyl-5,7-dihydroxy-4,6-dimethylphthalide
Peak:m/z	Relative Intensity
50.83266	0.5
59.01365	0.6
68.13182	0.5
79.95743	2.0
83.25546	0.5
96.96008	12.2
98.20738	0.9
99.04510	6.1
101.47009	0.6
118.97073	0.6
122.97568	0.6
185.68311	0.5
190.03516	0.6
244.48035	0.5
267.64743	0.5
297.18555	5.7
325.87698	0.6
397.23724	100.0
398.24103	16.2
416.52829	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33721	0.9
54.93074	1.0
59.01362	2.4
59.30122	1.1
60.72078	0.9
61.43925	1.0
63.29891	0.9
69.53324	7.7
71.01373	1.8
74.02480	1.2
79.98483	1.0
89.02424	1.5
98.20650	1.6
104.03529	1.4
155.20761	1.0
159.49855	1.1
263.13519	1.2
279.60065	1.2
291.26898	11.5
292.27429	1.5
295.24472	1.3
307.26160	1.1
309.27994	100.0
310.28317	13.1
315.19620	3.6
335.25781	4.9
353.26959	57.8
353.31332	2.4
354.27292	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17503	0.2
59.01379	100.0
60.01715	0.9
71.01388	1.1
73.02948	0.4
85.02970	0.8
87.04511	0.8
89.02457	0.4
96.96032	0.5
99.84254	0.3
101.02476	0.5
102.98625	0.7
113.02493	0.4
114.49334	0.2
129.76424	0.2
134.72304	0.2
138.74147	0.2
149.87694	0.2
191.05722	0.4
200.04800	0.2
203.14508	0.3
203.84142	0.3
241.19672	0.3
265.14404	0.6
271.20776	0.6
397.22668	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.5
69.03439	3.7
69.66660	4.6
73.02936	1.1
83.05017	2.8
98.20583	1.8
107.04990	1.6
107.08659	1.2
120.99654	63.7
121.06576	1.8
133.10173	2.1
135.04535	0.9
135.08136	1.8
151.07646	8.1
159.08173	1.1
171.11786	6.6
173.09753	4.2
180.04312	8.2
180.08078	0.8
187.11252	2.4
189.12839	31.2
190.13104	3.3
191.05635	1.3
195.06653	8.1
196.06947	0.9
215.10672	3.6
233.11824	11.4
277.10788	100.0
278.11130	9.9
399.11176	22.8
400.11414	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	397.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.5
57.03439	5.1
59.01377	51.6
60.62437	1.2
69.03436	2.4
69.42344	9.4
70.39111	1.4
71.01377	27.3
72.33793	1.3
72.99318	2.2
73.02950	9.3
75.00861	1.6
79.25219	1.3
83.01375	9.0
85.02946	22.7
87.00877	3.5
87.12392	1.3
89.02430	4.4
95.01370	3.7
96.96021	7.5
97.02946	3.7
97.82123	1.3
98.95583	9.6
98.96416	2.1
99.00868	3.3
101.02441	16.9
101.06071	25.8
102.98631	1.9
107.08665	1.5
111.00864	5.4
112.01624	1.8
113.02448	13.8
118.33629	1.2
121.06580	1.5
123.04504	4.6
124.01595	1.5
125.02447	4.8
135.08128	1.9
143.03481	2.4
147.08185	1.7
149.09680	2.6
161.04562	1.4
161.09714	1.8
163.07494	1.3
165.67033	1.5
178.81950	1.4
185.09669	2.3
191.10805	1.9
193.08632	5.8
193.12328	100.0
194.12651	8.8
205.12411	2.9
235.13293	2.5
247.09621	3.3
263.12863	3.6
265.10883	6.9
265.14349	4.8
315.12814	1.4
337.16556	90.0
338.16846	8.0
355.17609	95.3
356.18015	10.1
385.12711	1.4
397.13675	21.1
397.18634	8.9
398.14279	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	2.5
70.99677	2.4
71.01389	2.4
73.02956	1.9
73.06650	1.4
79.75306	1.0
80.02678	42.9
89.02464	7.3
93.03449	1.7
95.05024	1.3
113.02483	1.0
121.06600	2.9
127.34550	1.0
131.03491	2.1
149.04558	31.5
149.12271	1.2
150.04886	2.3
171.11678	1.4
189.12852	100.0
190.13220	8.7
204.36102	1.1
221.15457	56.3
222.15773	4.3
233.11824	34.4
234.12233	3.2
244.53395	1.3
251.12865	15.1
252.12970	1.2
265.14423	13.1
287.27585	1.2
292.29947	1.1
333.55142	1.2
397.18771	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06081	1.2
55.01869	2.7
57.03441	8.7
58.34190	1.3
59.01379	54.5
69.03456	2.7
69.18967	5.5
69.19398	7.7
71.01007	2.2
71.01382	30.5
72.99312	1.4
73.02937	10.9
74.61755	1.1
74.95231	1.2
83.01367	7.4
85.02951	20.9
87.00877	4.1
89.02438	4.1
92.70511	1.3
95.01393	5.2
96.95995	2.9
97.02927	1.7
98.19880	3.0
98.95596	3.2
99.00874	2.7
99.04560	1.6
101.02442	16.1
101.06087	29.1
111.00879	4.6
112.01656	1.8
113.02453	13.6
123.04500	2.7
125.02462	3.8
133.31145	1.4
143.03461	1.8
147.08209	1.7
149.09711	3.2
161.04485	1.8
161.09720	2.1
179.14468	1.6
185.09654	3.7
192.35939	1.5
193.08679	4.4
193.12328	100.0
194.12720	7.1
203.10727	3.0
205.08644	2.4
205.12323	3.1
211.50166	1.7
221.11613	1.6
225.57239	1.5
235.13370	2.9
247.09688	2.8
263.12848	2.3
265.10910	7.4
265.14404	7.2
337.16571	87.2
338.16876	9.3
355.17609	87.8
356.18008	13.4
397.13620	7.6
397.18561	11.3
397.22055	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47744	1.4
54.64280	1.3
56.21092	1.4
56.96212	1.5
59.01368	6.6
59.22106	1.6
62.85140	1.5
63.73903	1.2
69.29840	3.3
69.30247	11.7
72.18086	1.5
83.75471	1.5
96.81219	1.4
97.75520	1.6
113.02447	2.3
113.10803	1.7
130.22784	1.4
135.04524	18.1
145.32535	1.5
148.00220	1.6
150.29564	1.6
163.04002	100.0
164.04375	5.9
178.06354	78.5
179.06697	3.4
193.08701	90.6
194.09000	5.8
265.14542	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	397.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03445	1.3
58.00596	0.9
59.01381	35.1
60.01703	0.6
67.01884	0.5
69.03448	1.0
69.21613	3.7
69.22017	1.6
71.01384	15.4
72.99307	1.0
73.02927	1.2
74.99093	2.0
78.95901	0.8
79.95734	0.7
83.01405	0.9
83.05008	1.0
85.02947	3.9
87.00885	2.5
88.30058	0.6
89.02446	12.0
90.02773	1.0
90.98508	0.5
93.03460	2.1
95.01362	1.4
96.96013	1.1
97.02976	0.9
98.19930	1.1
101.02443	9.1
102.23705	0.6
113.02445	4.7
113.84330	0.6
118.98092	4.9
119.03512	5.6
120.01244	4.2
120.99665	1.1
121.02977	1.6
122.03767	0.9
131.03468	0.8
134.03775	0.7
135.04520	5.8
148.05309	12.1
149.02423	2.3
149.04552	0.7
149.05699	1.2
150.03221	2.5
151.03984	1.0
151.07635	1.3
161.06070	0.9
163.03972	2.6
171.08189	1.3
171.11781	1.6
173.06149	0.6
173.09731	1.1
174.06830	0.8
175.07620	2.1
177.01929	8.7
178.02715	45.9
179.03108	2.8
180.04285	12.2
185.06099	0.6
187.07645	2.3
188.08347	1.1
189.09218	37.4
189.12817	5.5
190.09509	2.6
192.04248	3.2
193.05057	46.7
194.05399	3.3
198.87138	0.6
199.07578	1.0
201.09203	4.7
202.06325	1.0
202.09581	0.8
213.09210	1.2
214.09488	0.6
216.07925	4.9
217.08685	100.0
218.09018	8.3
219.10208	2.7
220.10910	0.7
231.10263	0.9
233.11775	2.7
235.06172	2.9
235.09694	3.5
259.09668	1.4
277.10806	16.9
278.11227	0.9
337.09268	7.5
355.10443	1.9
379.13953	23.8
380.14261	4.0
397.11008	7.4
397.15067	35.9
398.15176	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	397.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25066	14.0
59.01383	100.0
67.29863	14.1
71.01382	49.1
85.02940	22.9
89.02419	22.1
95.31987	14.8
99.04519	25.1
101.02429	40.0
113.02436	24.4
147.85522	13.4
149.06093	22.1
203.03542	15.2
220.63068	13.2
229.09137	21.2
230.32782	14.5
397.20862	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	397.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	8.8
59.01377	75.1
61.88957	5.6
68.72499	5.2
69.99675	25.7
71.01382	100.0
71.57176	5.3
72.99339	5.8
73.02940	27.5
81.35241	6.0
83.01383	11.1
85.02948	43.8
87.81220	5.5
89.02440	28.4
95.01382	9.3
96.96016	7.3
99.00891	9.4
101.02440	60.4
102.98572	11.9
113.02441	32.9
119.03500	7.3
141.31044	5.2
154.94318	7.1
161.04549	36.1
217.15984	7.9
235.16835	10.7
265.14505	7.1
272.03183	34.7
297.47482	6.6
365.20172	6.3
397.12878	22.0
397.22830	10.1
404.25256	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	397.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18991	17.8
59.01366	100.0
59.51108	17.2
69.03462	23.9
71.01376	78.8
85.02953	47.8
89.02423	23.6
96.96014	18.5
98.19652	17.7
98.20853	29.8
101.02428	39.8
113.02451	52.5
124.05299	42.5
158.91841	18.9
203.14333	37.9
217.15955	20.3
221.15422	28.3
247.13339	21.2
250.48305	21.3
265.14447	98.4
311.13998	18.1
320.48499	18.9
397.10016	24.5
397.18613	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.3
57.03440	2.7
58.00584	4.2
59.01378	100.0
60.01714	1.5
61.98809	2.2
65.23620	1.5
68.99811	2.0
69.03465	8.7
70.53247	4.0
70.53601	2.6
71.01382	84.8
72.99294	6.4
73.02954	20.9
75.00859	2.3
81.03443	4.5
83.01392	12.4
83.05009	2.6
85.02951	20.4
86.00100	2.7
87.00881	17.9
89.02442	70.7
92.30882	1.5
93.03465	1.4
95.01374	8.0
97.02946	18.0
99.00884	6.9
101.02442	72.4
103.04002	2.5
109.03004	1.9
111.04527	4.2
112.73826	1.5
113.02451	34.0
119.03491	24.0
121.02984	2.8
125.02438	21.1
127.04036	1.9
129.01933	1.7
131.03548	3.0
133.05061	4.7
137.02440	1.9
139.03949	1.9
143.03485	10.4
149.04643	2.3
149.06090	2.2
161.04555	14.5
169.05017	2.1
179.05649	6.4
217.07137	3.4
221.06741	3.2
235.08211	19.7
236.08566	2.1
253.09291	2.1
263.07718	3.0
277.09290	2.7
305.08722	2.0
315.19635	10.9
316.20032	2.1
361.11371	2.0
379.12741	1.5
397.13522	62.0
397.19720	4.6
398.13727	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	397.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.8
56.17494	3.4
57.03433	5.2
58.76505	3.2
59.01381	100.0
69.46577	15.0
69.46983	8.6
71.01382	74.8
73.02957	17.3
83.01379	9.1
85.02956	26.6
85.84268	3.7
87.00845	4.4
87.37805	3.9
89.02446	36.4
95.01370	5.3
96.78030	3.7
96.96011	11.7
98.20678	6.3
99.00869	5.5
101.02435	44.1
102.98582	6.7
109.06558	4.1
113.02429	34.2
119.03495	10.2
120.99675	4.2
124.67151	3.7
143.91222	3.2
157.98523	3.2
159.03006	3.6
161.04573	23.7
172.47188	3.8
176.05988	3.4
187.07660	10.0
217.08679	8.7
221.15251	4.3
235.09694	6.0
235.16992	3.9
243.23412	4.1
249.56761	3.2
265.44333	3.5
267.14230	7.2
274.49780	3.9
281.10229	4.6
373.14496	3.9
397.15204	15.6
397.21896	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	395.2437
Annotation	ent-13R,15-Dihydroxy-14S-acetoxy-1(10)-halimen-18-oic acid
Peak:m/z	Relative Intensity
52.76261	1.0
57.03450	14.3
59.01367	6.2
61.98833	7.8
63.56843	1.1
71.07305	1.1
73.91477	1.3
81.03458	61.8
82.03809	1.8
83.01398	3.7
86.67715	1.1
98.20631	3.5
125.02445	100.0
126.02776	4.1
134.57686	1.4
146.02223	1.1
150.71405	1.0
156.99460	1.2
173.90630	1.2
241.95735	1.1
249.22282	9.7
269.21225	19.9
270.21591	1.5
276.26712	1.2
291.23370	3.0
309.24283	4.2
315.23502	1.7
333.24307	7.4
334.24939	1.4
335.22247	1.6
351.25372	4.5
377.23300	20.6
378.23798	3.4
395.18896	2.3
395.24323	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	395.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
69.03442	0.4
69.17075	3.1
69.17493	0.8
69.77956	0.3
73.57359	0.3
84.35486	0.3
105.03828	0.4
115.49025	0.3
122.85735	0.3
156.87221	0.4
170.69736	0.4
259.19092	0.4
282.37933	0.4
333.31680	1.1
335.33179	24.7
336.33429	3.7
349.34714	14.6
350.35095	2.7
351.36304	0.4
377.34177	0.9
395.35263	100.0
396.35629	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	396.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.9
57.67694	1.4
59.01374	8.9
61.98819	11.5
63.99233	2.1
65.93584	1.4
69.03449	1.5
69.20434	2.0
69.20832	13.3
69.94449	1.2
71.05022	11.2
71.28886	1.3
79.95732	5.0
95.95241	4.8
96.96012	28.1
97.06585	5.2
97.41468	1.6
111.08140	6.9
115.07654	9.1
127.11274	22.4
137.09688	1.9
139.11285	100.0
140.11621	5.8
149.06024	2.2
151.11244	2.5
153.12827	4.3
156.13901	1.5
158.11917	1.6
164.14458	2.6
169.12331	59.3
170.12662	3.9
182.15463	6.0
183.10249	45.6
184.10632	2.5
196.02896	2.7
198.15044	1.8
201.11319	66.4
202.11636	5.5
212.16512	4.3
226.14487	8.7
237.18564	11.7
244.15518	56.3
245.15874	3.5
255.19576	1.8
270.60999	1.7
281.17627	6.9
298.20203	19.6
299.20493	1.8
348.25183	2.0
378.26517	4.3
396.11700	2.3
396.24078	29.1
396.27744	24.3
397.20013	1.9
397.24207	4.8
397.28363	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
59.01366	0.7
69.65931	2.5
71.01373	2.0
73.02933	1.0
79.05521	0.7
84.19117	0.6
85.02951	1.0
87.04522	1.2
94.62737	0.5
96.96002	3.5
98.95605	0.8
99.04520	100.0
100.04846	2.9
105.07076	0.8
107.08675	2.0
107.59427	0.5
109.06601	1.0
109.39987	0.6
111.04465	0.7
119.08669	1.2
121.06604	1.9
123.04536	6.7
133.06587	1.0
145.06650	0.6
147.08191	1.8
149.09706	5.7
161.09695	3.2
163.07677	0.9
175.07632	0.8
185.09712	8.6
186.10065	1.2
191.07161	2.9
193.08678	11.3
193.10376	0.9
194.09096	0.6
203.10751	5.7
205.08710	3.9
229.08665	1.0
247.09738	9.1
248.10139	0.8
265.10788	13.5
266.11124	1.4
277.10733	1.0
289.62106	0.6
303.42780	0.6
336.47910	0.6
395.13544	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	395.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	7.4
57.36982	2.1
59.01375	24.8
61.12945	2.3
69.64884	13.4
71.01372	2.7
73.71792	2.3
85.02947	36.7
87.04517	100.0
96.96025	5.8
98.19997	4.9
99.04515	9.3
131.05009	3.0
143.04977	6.5
143.08554	2.2
146.06613	2.0
148.44450	2.5
157.06511	3.7
159.08153	8.2
170.07428	2.7
171.04559	2.3
171.08150	11.4
172.05060	2.2
173.06033	4.2
177.05603	2.3
179.03514	2.7
183.08115	9.4
185.09656	5.8
186.06804	2.7
191.05634	3.6
191.07185	2.8
195.08171	18.8
197.05977	3.4
198.06848	7.6
201.09215	15.0
203.07169	4.2
203.10744	4.3
213.09196	26.8
214.09465	3.6
215.07091	5.0
217.05043	7.1
231.10248	13.3
239.07118	3.9
245.08160	8.5
245.11790	6.4
247.09749	3.1
257.08112	8.3
263.12830	7.9
275.09335	16.5
276.03128	2.6
289.10825	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13910	1.5
59.01373	4.6
61.98830	4.0
68.62338	1.7
68.82271	1.5
69.03441	7.3
69.45546	12.8
71.01362	2.6
71.20836	1.7
74.99097	51.8
78.95898	2.5
83.05023	2.0
86.20563	2.1
87.00855	5.7
89.99661	2.0
93.03423	1.7
96.96058	2.0
96.96951	7.4
101.02459	2.9
107.05027	3.7
107.08639	2.2
114.19519	1.6
118.98090	85.9
119.08692	1.9
120.99638	10.2
123.08127	2.1
135.08148	4.0
149.06067	43.2
151.07617	10.5
171.11777	9.0
173.09673	6.3
187.11224	5.2
189.12827	39.2
190.13193	3.4
193.05051	4.8
215.10692	4.4
231.10173	2.1
233.11809	15.5
265.14343	5.8
275.09152	1.8
277.10803	100.0
278.11188	8.4
311.09488	3.5
397.09561	48.7
398.09888	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	395.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41576	0.5
57.03444	1.7
59.01381	8.0
65.13492	0.5
69.03416	0.8
69.46858	4.4
71.01378	9.2
72.99319	0.7
73.02941	2.0
79.95741	5.6
80.96511	2.5
82.27727	0.5
83.01371	1.2
83.05000	0.8
84.09892	0.6
85.02947	18.4
86.00114	0.9
87.00862	2.9
87.04517	2.6
89.02424	1.2
93.03432	0.7
93.81192	0.5
95.01361	0.7
95.95222	6.5
96.96009	76.1
97.02934	1.1
97.06569	0.9
99.00870	1.5
99.04522	2.9
101.02459	2.9
101.06078	1.1
107.05050	0.6
111.00854	0.7
113.01806	0.6
113.02441	3.3
122.97616	0.7
125.02425	1.4
133.06529	0.7
135.04539	1.5
135.08176	3.0
138.97038	1.7
143.03442	1.6
145.06606	0.7
149.06058	1.4
150.06836	0.6
150.97061	1.9
161.02370	1.0
162.06898	0.9
163.11337	1.5
175.11250	0.7
176.03990	0.6
177.04141	0.7
177.05548	0.7
179.03450	0.8
180.98085	0.9
191.05656	3.2
191.10715	1.5
203.10776	1.8
209.02733	0.8
215.10706	1.1
217.15950	1.1
232.14604	5.1
233.15494	3.0
235.13344	1.3
241.00194	2.4
246.46741	0.6
247.09782	1.9
249.15195	0.7
251.16524	9.1
256.99664	1.4
263.12958	0.7
264.13123	0.6
307.19156	2.8
324.07291	0.6
377.19717	1.1
395.13766	100.0
395.20593	12.0
396.14063	10.9
396.21051	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	395.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61150	0.5
57.03439	1.6
59.01367	0.7
69.65977	2.4
69.66401	0.9
69.69324	0.5
70.43413	0.5
71.01379	2.0
73.02933	1.1
81.03508	0.6
85.02940	0.7
87.04518	1.3
96.96020	4.2
98.95600	1.1
99.04520	100.0
100.04868	3.1
107.05030	0.5
107.08672	2.3
109.71638	0.5
119.08685	0.8
121.06602	1.9
123.04523	6.8
128.41525	0.4
133.06624	0.8
138.90106	0.5
145.06612	0.5
147.08153	2.3
149.06169	0.5
149.09727	6.2
161.09705	4.1
163.07643	0.8
164.70642	0.5
175.07614	0.6
179.07002	0.6
185.09706	7.1
186.10085	0.6
187.07578	0.6
191.07123	2.7
193.08701	13.2
194.08932	0.7
203.10785	5.9
205.08652	3.9
221.11763	1.2
229.08650	1.5
241.00299	0.9
247.07416	0.9
247.09755	9.3
248.10091	1.1
265.10803	15.7
265.13589	1.0
266.11246	0.8
277.10764	0.8
302.28073	0.5
395.12936	6.8
398.22934	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35630	0.5
57.03442	1.8
59.01369	0.8
65.34367	0.6
69.65854	1.1
69.66259	2.1
71.01372	2.2
73.02963	1.1
75.41527	0.5
79.95732	0.5
83.59654	0.5
85.02971	1.6
87.04506	1.1
93.03439	0.7
96.96013	10.2
98.95589	1.4
99.04520	100.0
100.04872	2.5
101.06077	1.0
105.07066	0.7
107.04987	0.7
107.08676	2.2
109.06581	1.2
116.22382	0.5
119.08647	0.9
121.06615	1.2
123.04521	7.7
131.77322	0.6
133.06584	1.0
135.08168	0.9
145.06590	1.2
147.08153	2.4
149.09734	5.8
159.08218	0.8
161.09772	3.2
163.07617	0.9
170.07434	0.6
175.07669	0.9
180.57869	0.5
185.09720	8.8
191.07159	2.7
193.08693	10.7
193.10388	0.8
194.09065	0.6
201.09212	0.6
203.10753	6.7
205.08733	4.2
215.10789	0.6
215.37553	0.5
219.06525	0.9
221.11700	0.6
229.08737	1.2
247.09720	10.0
248.10219	0.7
259.09964	0.8
265.10794	15.9
266.11206	1.3
277.10773	1.5
395.13760	21.7
396.14297	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	395.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92572	0.3
57.03437	0.4
59.01387	2.5
69.30750	2.7
71.01389	1.8
73.02969	0.8
79.89733	0.3
79.95744	3.3
80.96527	1.6
83.01395	0.5
85.02961	4.1
87.00874	1.1
87.04529	1.1
95.95229	2.9
96.96016	71.2
97.95934	0.5
99.04535	1.1
101.02456	1.6
101.06085	4.4
107.05045	1.0
112.33067	0.3
113.02479	0.6
115.84003	0.3
119.05035	0.6
121.06620	0.4
122.97578	1.3
135.04529	0.5
138.97072	1.3
147.08142	1.2
149.06096	1.0
150.97072	1.3
157.06534	0.7
159.08150	1.7
161.06038	0.6
161.09717	0.4
162.06834	0.9
164.98642	0.6
171.08191	0.5
176.04091	0.6
177.09253	0.7
179.03474	0.3
180.98126	1.4
183.08243	0.4
185.09840	0.4
186.71539	0.4
191.05626	1.0
195.08142	0.5
198.07043	0.6
201.09174	0.7
203.07227	1.0
203.10719	0.6
213.09207	1.9
219.10374	1.7
221.08182	0.3
231.10252	1.1
241.00267	2.9
245.08211	0.5
249.11371	0.6
256.99722	0.6
263.12772	0.6
275.09256	0.8
302.98508	0.3
307.19067	1.1
395.13785	100.0
396.14111	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	395.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.1
66.68864	0.3
68.85960	0.3
71.01380	1.4
72.99313	0.4
73.02962	0.7
77.89957	0.4
79.95733	4.8
80.96517	1.8
83.01378	0.5
85.02956	2.3
87.00876	0.6
95.95235	3.4
96.09699	0.4
96.96009	72.4
97.95953	0.5
99.04517	1.8
99.69090	0.3
101.02419	1.8
113.02449	0.7
115.62795	0.3
121.35502	0.3
122.97597	1.2
138.97081	1.6
150.97069	1.8
162.06796	0.4
164.98637	0.6
180.98071	0.8
198.99152	0.6
213.09119	0.4
219.13834	0.7
241.00227	2.9
256.99802	0.7
307.19009	0.8
395.13763	100.0
396.14117	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	395.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40589	0.7
52.88363	0.7
59.01368	1.9
61.98816	0.7
67.74422	0.7
68.21133	0.6
70.39977	2.3
71.01366	3.1
72.99246	0.7
73.02926	0.9
79.95703	2.5
80.96504	1.6
85.02928	2.4
86.06193	0.7
89.02422	1.3
95.01366	1.3
95.95235	0.9
96.96010	70.1
101.02438	1.8
108.02168	44.5
109.02958	20.2
110.03263	0.8
113.02427	1.2
121.02943	1.3
123.00865	0.8
123.04472	0.9
137.02417	1.7
138.22809	0.7
138.97078	5.0
150.97028	1.3
151.04002	1.6
152.01143	59.4
153.01938	26.7
154.02208	0.9
163.04005	1.7
165.01929	2.1
168.98090	0.8
241.00220	15.1
242.00525	0.8
315.07193	100.0
316.07516	10.1
333.80243	0.8
351.03867	13.9
352.04147	1.0
377.01843	8.9
378.02014	1.0
392.67639	0.8
395.02853	66.3
396.03235	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	395.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.8
57.49712	0.5
59.01383	3.9
61.01027	5.2
68.99812	2.4
70.09425	2.5
71.01389	4.0
72.99314	3.3
73.02954	1.5
75.00890	2.9
75.02599	4.4
83.01387	1.9
84.99327	0.7
85.01024	10.1
85.02956	1.0
87.00864	2.5
87.04514	2.6
89.02454	2.3
93.73003	0.6
96.96024	0.8
98.00169	0.6
99.00885	2.6
99.02570	1.3
101.02443	4.3
103.00388	1.2
103.02093	0.9
111.00893	0.7
112.98809	6.3
113.02433	1.0
114.98479	1.8
115.00311	0.8
115.02081	8.4
124.98834	1.5
127.02068	1.4
131.03516	1.2
135.08945	0.6
142.99854	2.0
143.01604	1.8
145.01442	5.2
149.04607	4.1
154.99934	1.0
157.01419	4.8
157.03072	1.9
159.03056	0.9
171.01060	5.5
173.00970	0.7
173.02910	0.8
175.04182	9.7
187.02449	1.9
189.05791	5.1
190.06271	0.7
198.99213	0.7
217.05238	9.3
231.03169	1.6
247.02635	4.4
247.06299	1.6
259.06369	1.0
263.05795	11.8
264.06155	1.2
296.99445	0.7
303.05243	2.8
309.00427	0.7
344.49777	0.6
363.07404	5.7
395.10013	100.0
396.10352	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	395.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69390	5.1
58.99586	14.8
59.01378	81.0
66.02321	4.7
69.77245	11.7
69.77653	27.1
71.46835	5.9
102.97928	9.4
102.98592	100.0
120.99668	11.3
130.87910	5.6
158.57611	6.3
161.02490	9.3
163.04041	6.3
179.98808	21.5
183.10008	5.4
194.00380	33.3
195.01207	32.3
204.45366	6.0
209.02806	55.4
210.03477	21.7
219.13913	11.1
265.12671	12.3
282.01727	5.9
291.52826	5.5
307.10077	35.5
307.19046	11.1
343.91562	5.3
395.24673	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	393.301
Annotation	Diacarnoxide B
Peak:m/z	Relative Intensity
51.97165	0.7
57.03446	12.8
59.01377	1.7
67.01878	1.1
71.71404	0.8
81.03477	1.6
81.07027	0.8
83.01384	0.9
83.05022	11.2
86.65041	0.7
91.05527	1.1
93.03452	1.1
94.04295	0.7
95.05012	0.8
107.05005	0.9
109.06587	10.9
111.04476	0.9
111.08141	1.2
112.09592	0.8
123.80148	0.8
228.99261	1.1
253.25349	26.9
254.25743	3.7
297.24124	1.1
309.27969	3.0
325.30856	1.2
349.31064	21.9
349.35397	1.1
350.31555	3.8
351.29031	0.9
353.27011	1.3
393.30035	100.0
394.30356	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	393.3011
Annotation	Diacarnoxide B
Peak:m/z	Relative Intensity
57.03452	2.2
59.75385	0.4
61.98825	0.4
67.01889	0.6
69.03448	0.9
69.42275	2.4
72.06233	0.4
76.75775	0.4
81.03490	0.4
83.05019	0.6
85.06568	0.7
95.21925	0.4
97.06588	0.5
119.12853	0.4
169.28163	0.4
237.22194	0.5
244.34178	0.4
265.25333	1.9
279.26910	0.6
281.28421	1.1
291.26971	1.1
293.25290	0.4
305.28467	2.6
309.27963	7.7
310.28320	1.2
319.29980	1.1
321.31653	0.7
331.29932	1.4
333.27936	2.3
334.28302	0.6
347.29495	1.4
349.31088	33.7
350.31442	5.7
351.29059	7.3
352.29529	0.9
393.30029	100.0
394.30331	16.9
394.35336	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.5
69.03430	0.5
71.27917	0.6
71.28223	0.6
74.63390	0.4
78.92194	0.5
80.02661	0.5
83.01400	0.7
83.05025	1.2
98.06843	0.6
251.23744	0.7
279.26965	1.7
281.28586	1.2
307.26425	1.0
309.27988	5.5
310.28397	1.0
319.30038	1.9
321.31467	2.9
329.28500	1.1
331.29959	1.5
347.29623	1.9
347.33466	0.6
349.31097	30.9
350.31445	5.0
351.28995	4.3
352.29193	0.6
393.30103	100.0
394.30420	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	393.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41674	0.6
57.03445	3.3
59.01352	1.5
60.36207	0.6
65.82292	0.7
69.03448	1.5
69.31912	2.8
69.32339	2.2
83.04984	0.6
109.47900	0.6
114.32715	0.6
137.23820	0.6
164.74121	0.7
177.62018	0.6
195.76753	0.6
225.22157	1.9
239.23830	1.5
251.23703	0.9
265.25238	0.9
281.28522	1.3
303.30499	4.8
312.77969	0.6
319.30054	1.4
331.29962	0.7
333.31586	16.0
334.31778	2.0
347.33102	10.0
348.33359	2.4
349.34769	8.6
350.35211	1.8
375.32938	1.2
393.33743	100.0
394.34036	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	393.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	23.9
60.05576	0.5
68.99807	0.5
69.30942	3.8
71.68716	0.5
81.03456	73.0
82.03790	2.1
83.01388	8.1
83.01835	0.8
94.38138	0.5
125.02446	24.2
307.30161	2.0
337.26834	0.5
349.31128	1.1
351.29129	2.0
352.29205	0.5
393.30090	100.0
394.30429	18.2
394.35571	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2283
Annotation	Epoxycladine C
Peak:m/z	Relative Intensity
50.92118	0.2
59.01377	100.0
60.01714	1.1
62.95559	0.3
69.65809	1.3
79.47895	0.3
83.05039	0.4
98.20624	0.5
99.04561	0.3
101.06094	1.0
102.98584	0.4
119.06937	0.2
149.06111	0.3
256.04675	0.3
264.13531	0.4
301.41644	0.3
319.11670	0.3
333.20697	0.6
345.03830	0.3
351.21771	1.3
393.18933	0.6
393.23053	4.3
394.23251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2648
Annotation	Tylactone
Peak:m/z	Relative Intensity
57.03442	5.1
59.01373	3.0
61.17076	0.7
61.98801	0.6
63.56566	0.5
64.24368	0.5
70.37707	2.0
71.01367	1.8
83.01386	8.8
99.42211	0.5
137.53122	0.5
141.29655	0.6
203.35086	0.5
205.19127	0.6
247.29924	0.6
265.25336	20.6
266.25751	2.3
277.21695	2.2
279.23270	3.7
289.25391	2.3
291.23166	3.2
305.28436	4.4
305.70871	0.6
306.29147	0.9
307.26413	46.9
308.26660	6.6
309.24347	1.2
321.27991	2.2
325.27469	9.3
326.27829	1.0
331.26474	3.8
349.27448	64.2
350.27789	10.0
393.26437	100.0
394.26758	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	393.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84889	1.1
55.56791	1.0
57.03440	3.7
59.01369	5.0
70.53331	3.7
70.53682	1.2
78.95894	1.5
80.96508	1.7
83.01373	5.3
102.79443	1.1
104.53732	1.2
125.76720	1.1
199.16956	1.3
265.25345	16.2
266.25684	1.8
279.23395	1.3
286.49756	1.1
289.25430	1.9
305.28345	6.0
307.26401	39.0
308.26758	5.5
309.24405	1.5
311.16800	1.4
321.27911	2.3
325.27411	5.7
331.26474	2.3
349.27448	60.3
350.27908	9.1
393.26443	100.0
394.26807	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	393.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.3
59.12884	1.1
67.22978	1.1
71.16061	2.6
82.39719	1.0
83.05009	3.3
84.80167	1.1
87.00879	57.9
88.01184	1.2
96.95992	5.7
97.06578	1.5
102.18481	1.2
135.04521	1.2
148.05234	2.0
162.06871	24.5
163.07373	1.8
164.08488	1.9
170.43962	1.2
174.06825	4.0
175.07578	5.2
176.08417	6.1
188.08340	2.2
189.09224	9.2
190.09993	3.0
191.05679	2.6
191.10733	6.8
199.07608	1.9
201.09200	3.7
202.09927	7.6
203.10715	3.0
205.12418	1.8
213.12790	1.2
216.11537	36.8
217.12096	3.4
219.13779	3.5
225.16423	1.7
231.13882	52.5
232.14310	5.3
239.10854	1.7
254.13139	2.1
260.14157	2.2
269.15384	5.0
275.16470	3.4
287.16513	2.6
290.15164	2.2
305.17575	100.0
306.17908	12.7
393.19104	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.2
59.01376	11.0
69.03467	1.4
71.52460	1.5
71.81297	1.3
72.17790	1.1
73.02946	2.4
74.59496	1.5
76.02390	1.2
83.05025	2.6
85.02950	15.4
87.00871	48.8
93.66329	1.3
96.96013	1.5
97.06576	10.8
99.04511	11.7
109.02943	1.4
123.04520	2.2
127.65520	1.4
133.06560	2.8
149.06049	3.7
153.05531	1.2
159.08185	1.7
161.06071	3.8
162.06862	20.7
163.07437	1.9
164.08469	2.2
165.05505	2.2
173.06062	1.7
174.06737	2.0
175.07660	6.6
176.08395	5.8
177.09160	1.9
186.06873	1.9
188.08406	1.8
189.09212	12.2
190.09921	3.6
191.05614	4.7
191.10727	8.2
195.08186	2.4
195.10219	1.3
199.07663	2.6
201.09195	5.7
202.10010	6.4
203.10829	3.1
205.05154	2.9
213.09178	2.7
213.12872	1.6
216.11537	35.7
217.12076	4.6
218.13107	1.7
219.10233	2.0
219.13866	3.6
230.12997	2.2
231.10350	2.6
231.13885	56.6
232.14281	4.8
235.06271	1.6
239.10611	1.4
245.11734	2.1
254.12930	1.4
269.15366	2.4
275.16568	2.0
287.16418	2.8
290.15063	2.1
305.17572	100.0
306.17960	9.5
341.10818	1.4
347.18030	1.6
393.19046	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91661	1.6
55.00810	1.4
57.03446	4.3
59.01382	13.2
69.78147	9.6
79.95769	1.6
83.05059	3.5
85.02953	23.6
87.00331	3.5
87.00871	69.3
95.05003	1.8
96.96013	3.4
97.06595	13.1
98.20608	3.3
99.04517	14.7
107.04982	1.7
109.02933	1.7
109.06567	2.3
109.51286	1.5
121.06597	1.9
123.04479	2.4
133.06534	2.2
135.04465	2.1
137.06053	1.8
147.04483	2.1
148.05304	2.6
149.06073	3.6
153.05548	2.4
159.08069	2.1
161.06055	6.2
162.06853	21.9
163.07570	2.5
164.08383	2.2
165.05576	2.8
173.06082	2.2
174.06944	3.9
175.07608	6.8
175.33765	1.6
176.08347	5.7
177.09132	2.0
181.59230	1.5
187.07660	1.8
187.11293	1.7
189.09196	11.7
190.09949	4.9
191.05588	6.3
191.10811	8.2
199.07632	2.5
201.09172	7.2
202.09946	5.5
203.10652	5.2
205.05020	5.2
213.09193	3.6
216.09425	2.2
216.11523	39.2
217.12086	6.1
219.10085	2.0
219.13858	3.4
231.10371	2.5
231.13882	56.0
232.14236	4.7
236.06787	1.6
239.10855	2.7
245.08139	3.0
245.11864	2.8
247.13327	2.2
254.12961	3.3
257.15543	2.0
261.11398	2.2
269.15433	2.8
269.24466	1.7
275.09125	2.2
275.16501	3.5
287.16495	3.2
305.17572	100.0
306.17917	12.9
393.11887	1.8
393.19080	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	393.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87782	1.4
53.49997	1.4
57.03449	2.4
69.36856	13.4
69.37175	2.3
73.02942	2.2
74.38730	1.9
79.97901	1.6
85.02978	4.2
90.82879	1.4
93.03514	1.6
99.04519	100.0
100.04876	3.3
101.77478	1.5
107.05042	11.6
108.73026	1.5
115.51400	1.7
119.04997	5.7
121.06589	6.9
123.74311	1.4
124.83476	1.5
130.59122	1.6
133.06578	2.6
139.07652	1.9
143.04964	2.0
145.06667	1.9
147.08156	15.9
149.06094	11.9
157.06587	7.3
159.08148	22.8
161.06105	3.1
169.06564	1.9
171.08127	3.9
173.06142	1.8
175.07614	2.5
177.09164	6.1
183.08144	3.9
191.07135	3.6
195.06512	2.1
195.08119	6.9
198.06807	7.0
201.05444	4.1
201.09268	9.6
203.07124	12.9
213.09210	24.3
214.09396	2.1
219.10239	21.9
225.19742	1.6
231.10204	14.4
232.10529	2.4
245.08156	5.3
249.11311	7.1
257.08224	6.3
263.09207	6.1
275.09192	7.0
275.71429	1.7
277.22778	1.6
293.10345	5.2
311.11224	4.2
351.98215	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.7
59.01379	100.0
60.01708	1.5
69.36229	4.8
71.01385	0.8
80.06065	0.7
83.05013	0.6
85.02962	1.0
87.00900	1.0
93.07079	0.8
95.05069	0.9
96.95985	0.7
97.02973	0.6
97.06612	1.5
99.04517	31.0
100.04875	0.9
101.02424	0.7
115.56557	0.6
119.08681	2.4
121.06577	1.3
123.04533	0.7
135.04414	0.6
135.08194	0.6
137.06094	1.1
143.05144	0.6
145.10269	1.1
147.08150	0.7
152.71999	0.6
161.06090	1.0
163.07648	4.0
163.11328	1.0
165.05473	0.6
168.90207	0.5
187.11349	0.8
189.09193	3.2
191.07240	1.0
201.09251	0.7
207.06711	1.2
207.10172	1.2
219.10361	0.8
231.13835	0.6
249.11119	0.7
251.09258	1.3
263.09445	0.7
279.10663	1.3
293.10281	4.3
305.17648	1.2
340.42441	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52322	1.1
59.01369	1.3
59.99253	1.0
61.47882	1.0
67.55932	1.1
69.03486	1.1
69.66730	7.0
85.02948	100.0
86.03307	2.1
103.66341	1.0
135.04453	1.8
143.05020	3.5
143.08681	1.5
145.06522	1.1
156.05870	1.5
157.06595	1.1
159.08142	1.7
171.08073	5.4
173.05988	1.8
180.05850	1.2
183.08160	4.2
185.05969	1.4
185.09781	3.1
186.06808	1.4
187.07681	2.7
192.50995	1.1
195.08136	11.2
196.08427	2.0
197.06073	1.5
198.06848	3.4
201.09233	6.5
213.09196	14.1
215.07016	1.5
217.05005	3.4
231.10207	6.5
239.07130	2.6
245.08195	7.4
245.11765	2.9
257.08176	6.3
263.12814	2.1
275.09213	9.9
289.10867	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41685	0.8
56.42730	0.8
57.03444	2.7
57.99639	0.7
59.01371	3.2
65.03977	0.8
69.03453	1.5
71.01380	2.2
71.28741	1.1
73.02959	2.6
73.52884	0.9
74.29640	0.8
78.76882	0.7
79.95728	2.1
80.26084	0.8
81.03454	0.9
85.02956	2.5
87.04514	1.1
93.03464	2.3
95.05030	1.6
95.95235	1.8
96.95399	1.0
96.96004	14.8
97.02941	1.3
97.06571	1.6
99.04517	100.0
100.04844	3.1
105.07100	4.2
107.05020	12.2
109.02979	1.2
117.07140	1.1
119.05038	9.0
121.06591	7.8
129.07085	1.1
131.05019	1.5
131.08665	1.1
133.06598	3.4
135.04501	3.1
135.08142	1.0
139.07658	2.5
143.04984	3.5
144.05817	1.9
145.06567	3.0
146.70441	0.8
147.08153	23.5
148.08488	1.5
149.06068	12.0
156.05811	1.3
157.06573	8.9
158.07036	0.9
159.08144	30.2
159.09439	1.7
160.08487	3.0
161.06061	5.2
162.06886	2.8
163.07666	1.1
165.05505	0.9
167.08702	1.1
170.07324	2.2
171.08157	6.0
172.05376	1.3
173.04671	1.3
173.06073	3.5
173.09695	1.9
174.06859	1.1
175.07591	3.7
176.04057	1.7
177.05579	1.8
177.09198	8.5
179.03432	1.2
180.05859	0.9
183.08154	5.5
185.06033	1.8
185.09727	3.1
186.06850	1.8
187.07626	1.3
188.04745	1.6
189.05527	1.6
189.09186	2.7
191.05812	4.2
191.07007	4.4
194.79735	0.9
195.06607	1.6
195.08145	9.0
197.06053	3.0
198.06822	8.2
199.07379	1.1
201.05615	4.8
201.09190	10.6
202.09445	1.0
203.07114	14.9
203.08907	1.3
204.07431	1.5
213.09207	27.7
214.09503	2.0
215.07217	1.5
216.07791	1.4
217.08813	1.0
219.10236	24.5
220.10614	1.8
221.08195	3.2
227.07053	0.9
231.10257	18.6
232.10434	1.5
239.07109	1.9
241.00317	1.5
245.08145	7.0
248.14429	1.0
249.11308	10.7
250.11732	1.0
257.08200	5.7
258.08679	1.2
263.09268	3.5
273.11456	1.7
275.09238	9.1
275.12643	1.6
276.09778	0.8
293.10190	6.6
311.11261	5.8
351.06985	1.2
393.12070	17.8
394.12372	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	0.8
59.01380	100.0
60.01714	1.5
61.98841	0.7
71.01383	10.2
71.52888	1.0
73.02953	2.4
79.95729	1.3
80.96526	2.7
83.01392	1.2
83.05051	1.0
85.02970	4.3
86.65559	0.6
87.00877	0.7
89.02464	7.5
95.01414	0.7
96.96020	2.2
101.02453	7.2
112.98805	0.7
113.02431	4.2
119.03503	3.5
135.04587	0.8
143.03532	1.0
149.04594	1.1
153.09280	0.7
161.04524	4.1
179.05722	0.8
191.05655	1.0
199.02469	0.8
209.44873	0.7
219.03040	0.9
230.24123	0.7
231.04987	0.8
261.13309	1.5
273.06244	0.9
333.15558	15.6
333.19345	1.0
334.16229	1.3
391.21701	0.7
393.08679	2.3
393.12924	1.5
393.17169	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	393.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	41.5
60.01708	1.9
61.98835	10.8
68.99805	2.5
71.01384	8.1
73.02951	1.4
75.00866	1.4
80.96519	2.1
83.01343	1.5
85.02959	3.1
87.00857	2.2
89.02444	6.1
93.03468	4.1
95.01380	2.4
95.05025	1.5
96.96034	2.9
97.14156	1.3
99.00899	2.1
101.02433	4.3
109.02955	3.8
112.98802	8.5
113.02450	4.0
117.03454	1.6
119.03519	2.5
121.02977	10.1
122.03752	8.1
124.98883	1.5
132.02083	1.6
133.02913	1.7
134.03738	10.4
135.04514	8.2
136.01613	3.3
139.00378	2.9
140.01164	16.7
147.96776	1.4
149.02443	97.3
149.06070	10.8
150.03238	55.7
151.03944	3.7
153.05594	2.7
154.02718	6.3
155.03494	7.7
161.04521	1.8
161.16228	1.2
164.04800	23.7
165.05574	56.4
166.05821	3.5
171.02983	2.2
179.03506	1.9
179.05641	2.2
180.04224	4.6
183.06592	1.9
184.00105	2.3
195.06622	32.5
196.06975	3.1
199.02484	13.4
231.05084	15.2
242.05836	1.4
255.74042	1.2
256.07425	1.5
263.11414	2.6
271.09714	1.3
273.06198	11.5
274.06534	1.7
285.07794	7.5
301.10928	6.1
330.11087	17.7
331.11575	1.5
345.13416	100.0
346.13696	13.9
376.12051	1.2
387.85641	1.3
393.08109	10.6
393.12360	1.3
393.17535	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96841	0.3
58.99604	14.4
59.01379	5.8
61.98831	0.9
63.42899	0.4
69.84679	2.1
71.01363	0.4
74.99097	1.6
82.30096	0.4
83.01385	0.6
93.03427	0.5
96.95982	0.7
97.02942	0.5
97.06602	0.5
98.91386	0.4
99.04520	0.8
102.98597	100.0
103.98965	2.1
108.64326	0.5
120.99656	12.1
149.06076	1.6
163.00722	5.3
189.09198	0.4
189.12827	0.8
217.12334	9.7
218.12717	0.8
263.11105	9.5
264.13614	1.6
265.12613	7.3
298.19421	0.5
305.17532	0.5
333.20731	0.4
357.25021	0.5
393.13416	1.0
393.18341	0.9
393.22998	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	22.3
61.98830	91.6
69.03439	2.4
71.01368	2.7
71.07439	3.1
73.02136	2.3
75.60456	2.4
97.02915	2.8
99.04520	100.0
100.04836	4.6
112.52666	2.4
125.02416	4.3
156.38962	2.4
163.10020	2.8
169.01440	7.5
219.10307	6.8
263.09225	11.1
304.03369	2.5
321.61151	3.0
333.20737	4.7
351.21765	27.1
352.22220	3.8
393.17380	5.2
393.22748	63.8
394.18231	4.3
394.23148	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52342	0.5
58.82981	0.5
59.01366	1.1
69.29046	4.8
71.01382	2.2
75.00867	1.5
79.95733	10.1
80.96511	1.5
85.02929	0.6
86.11669	0.5
87.52423	0.4
95.95226	14.9
96.96008	86.5
99.00906	0.5
99.04537	0.8
102.22919	0.5
125.00851	0.5
127.52281	0.5
129.01930	0.6
138.97057	3.9
150.97058	1.9
151.97714	0.7
152.98622	0.7
164.98581	0.7
168.98061	1.0
177.04065	5.6
194.99715	1.1
198.99159	1.4
213.00722	0.9
222.99226	0.8
225.00716	3.7
227.69984	0.5
241.00259	8.2
256.99713	5.4
290.04507	0.5
325.06177	0.9
382.66602	0.6
393.12228	100.0
394.12488	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	393.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
59.01363	2.6
69.51572	3.6
71.01375	2.3
71.95386	0.6
72.99299	0.8
73.02938	0.7
73.75660	0.5
75.00869	0.8
79.95734	3.6
80.96513	1.0
85.02925	1.1
95.95232	5.5
96.96008	80.1
99.04515	18.0
101.02448	1.4
107.05042	1.2
109.06556	0.7
119.05012	1.1
121.06580	1.2
122.97577	0.7
129.01939	0.9
132.05792	3.9
138.97098	1.3
147.08159	1.9
149.06102	1.6
150.97029	1.0
157.06601	0.9
159.08171	2.8
161.06047	0.8
164.04788	2.2
164.98654	0.6
175.07654	0.8
177.04030	5.7
177.09221	0.6
180.98109	1.1
183.08080	0.7
187.11249	6.5
195.08188	1.1
198.06895	0.8
201.09247	1.0
203.07083	1.1
213.09233	3.3
219.10210	3.0
225.00737	1.1
231.10225	10.6
232.10664	0.8
241.00188	2.0
256.99655	3.3
263.09174	1.3
275.09351	0.7
293.10236	0.9
300.51636	0.6
325.05887	1.3
361.65100	0.7
363.07660	1.0
364.84329	0.6
393.12225	100.0
394.12488	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	393.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38901	1.1
56.80333	1.2
59.01382	9.0
65.00320	2.6
66.74021	1.1
67.01878	3.1
68.99836	6.0
70.99238	2.0
70.99575	1.0
71.01369	3.2
80.96532	1.4
80.99800	1.4
83.01389	4.7
85.02902	1.3
89.02361	1.5
92.61207	1.3
93.03444	3.0
94.38068	1.1
96.99300	4.4
98.00116	1.5
99.00874	15.6
99.81571	1.1
100.98808	1.5
101.02460	1.6
112.01711	1.4
112.98814	34.9
113.02437	2.0
116.01135	5.3
117.03468	11.3
123.00896	4.1
124.98807	13.2
125.02419	1.9
125.91803	1.3
125.99586	2.0
127.04095	1.2
128.51616	1.1
131.03477	2.2
135.04521	7.6
140.01154	100.0
141.01559	3.6
154.99910	2.3
155.03496	50.4
156.00645	3.5
156.03864	1.5
159.04501	3.7
161.02403	2.9
165.01976	1.9
171.02954	9.8
173.04652	1.2
174.01698	3.0
181.43903	1.2
182.02232	7.3
184.00131	15.0
187.34824	1.1
197.04514	4.2
199.02473	80.3
200.02809	3.8
203.03578	2.4
213.04193	1.3
217.05157	1.2
220.06584	1.3
229.11972	1.3
231.05078	87.3
232.05400	4.7
240.47017	1.1
241.03517	5.0
241.91811	1.3
250.59506	1.2
255.05092	1.4
273.06134	74.1
274.06494	5.6
290.66245	1.2
299.04108	1.4
393.08273	68.2
394.08575	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	392.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95126	1.8
51.41859	1.7
53.73573	1.7
56.50433	1.7
59.01376	20.7
61.98831	100.0
67.16150	1.7
69.37527	15.1
71.01366	6.8
73.02959	2.0
80.53415	1.9
80.96519	2.5
85.02940	2.5
89.02422	4.3
96.00948	2.5
96.95970	3.4
98.20605	4.5
99.00852	2.1
101.02451	4.6
112.98830	2.4
113.02434	2.0
114.68155	1.7
130.11214	2.2
132.22540	2.0
140.01184	3.5
161.04514	3.0
181.51923	1.8
199.02310	2.1
231.05103	6.0
392.16223	2.6
393.08417	5.0
393.13333	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	29.3
59.44279	3.4
59.62754	3.4
61.98830	100.0
63.98483	4.1
71.52821	4.5
72.41563	3.2
87.00872	5.6
96.95992	7.8
97.06582	10.4
99.04509	6.4
115.81573	3.5
124.83244	3.8
205.83281	4.4
262.88712	3.7
276.73300	3.6
305.17770	3.7
393.18875	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	391.2491
Annotation	Xenimanadin C
Peak:m/z	Relative Intensity
59.01376	8.1
61.98824	1.3
70.64987	1.8
71.01393	0.9
79.05534	1.2
81.03454	30.8
82.03796	1.1
95.01373	1.0
123.04526	100.0
124.04858	4.4
125.51601	0.6
131.77347	0.5
142.17761	0.6
243.38667	0.7
293.24850	0.7
319.16791	0.7
329.24927	0.6
330.14734	1.2
347.26025	2.3
359.18625	3.9
391.24905	47.6
392.25317	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	392.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	5.0
59.01377	100.0
61.98829	36.3
71.52515	5.3
80.20328	4.3
80.63078	4.2
85.02948	54.9
87.00874	8.6
87.31892	3.9
96.96027	7.2
99.04524	27.2
109.06618	5.4
110.58364	4.1
123.04543	5.8
125.76495	4.1
133.06610	6.4
159.08185	6.0
161.06030	8.2
164.07181	7.9
171.08118	5.2
173.06010	4.6
183.08311	5.0
191.10730	6.1
195.08206	5.4
201.09132	6.8
205.05168	8.9
213.09256	10.8
219.10435	7.5
231.10213	5.4
245.08168	6.0
245.11792	5.1
263.15451	7.2
275.09277	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	391.2119
Annotation	(-)-12,12'-Methylenedicytisine
Peak:m/z	Relative Intensity
51.56967	0.8
54.87113	0.7
54.87410	0.8
57.03448	1.0
59.01109	1.3
59.01381	20.4
59.97654	0.9
61.98817	1.4
69.48533	6.5
73.93519	0.8
76.16534	0.9
93.95459	1.0
97.02943	3.8
99.04520	4.5
101.70856	1.0
111.08115	1.7
137.09698	1.1
151.11258	1.0
180.85661	1.0
193.08459	2.7
197.09860	1.7
197.11806	3.5
215.10764	3.8
219.10042	2.8
233.11615	1.0
245.11588	2.3
247.13280	1.4
263.12939	0.9
273.14493	0.9
290.12115	2.1
291.19684	6.5
309.20627	10.6
310.21149	1.0
313.17755	1.3
315.15924	1.5
330.14728	4.1
331.14920	1.3
331.18805	1.9
359.18658	11.5
360.18985	1.2
391.21237	100.0
392.21579	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	391.2119
Annotation	Sarcrassin B
Peak:m/z	Relative Intensity
59.01381	18.7
59.20853	1.2
61.80840	1.1
61.98827	1.8
69.03448	4.3
69.42077	2.3
69.42482	6.1
70.83380	0.9
71.01373	2.4
83.05029	3.0
95.01388	10.2
95.05005	3.4
97.06544	1.2
98.19898	1.8
111.08167	6.4
151.03995	1.6
151.07533	1.3
159.04482	1.5
162.06845	1.1
163.03987	1.3
165.05551	2.2
169.12320	1.2
172.05354	1.1
173.05988	1.3
177.05608	1.5
187.07655	2.9
188.04707	1.3
188.08365	1.8
189.05632	1.4
197.11841	14.3
201.05563	2.7
201.09325	1.3
202.06401	2.0
203.07124	2.9
205.08699	1.4
207.10001	1.2
213.05562	1.1
215.07187	1.2
217.08655	3.8
219.10036	14.1
229.04990	1.1
230.05731	1.4
230.09392	1.3
231.06647	9.8
231.10168	4.2
231.13910	1.4
232.07204	1.6
233.11667	5.6
245.08095	2.1
251.23766	2.5
257.11652	1.9
259.09720	4.0
263.12781	3.7
264.13531	3.0
265.21912	1.2
270.76340	1.0
271.09650	2.3
273.15048	2.6
286.15625	1.3
287.13055	2.4
291.19708	2.7
292.09601	2.6
293.24741	5.1
301.14267	5.3
302.15009	3.0
303.26837	1.4
304.13324	1.8
309.20734	9.7
310.21097	1.5
313.18011	1.2
315.16010	7.6
315.19351	1.9
316.16336	1.0
317.17291	1.3
317.21039	1.8
329.24826	3.3
330.10913	2.1
330.14746	38.0
330.18222	2.0
331.15030	5.8
331.18997	8.9
347.25885	37.9
348.26306	5.3
359.18616	100.0
360.18933	14.5
391.21097	27.3
391.25049	18.0
392.16647	1.8
392.21445	5.2
392.25769	1.8
396.24713	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.7
59.01378	100.0
60.01706	1.2
61.98838	0.9
69.48870	4.3
71.01379	16.0
72.01724	0.7
73.02937	7.0
83.01373	3.0
85.02944	6.7
87.00896	1.0
87.04521	0.9
89.02441	7.4
95.01398	1.4
97.06603	1.0
97.73062	0.7
99.00882	1.2
101.02431	11.1
111.00909	0.7
113.02450	9.4
119.03510	2.3
125.02470	0.8
141.05557	0.8
143.03471	0.9
149.04561	0.8
159.03041	0.8
161.04555	5.7
179.05742	0.7
187.13342	6.0
193.61775	0.6
205.29771	0.6
215.12933	0.9
253.85133	0.6
259.11887	4.5
331.17587	8.1
331.21201	0.8
349.18680	9.1
350.19061	1.0
391.16241	2.8
391.20422	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
57.03455	0.7
59.01380	100.0
60.01714	1.6
61.98816	0.5
63.82464	0.4
66.10366	0.5
69.52585	3.3
71.01379	6.1
71.31558	0.5
73.02959	1.4
83.01397	0.6
83.05016	0.5
85.02956	1.7
85.06598	1.9
89.02456	5.9
92.92654	0.5
97.06631	0.8
98.20618	1.1
99.00906	0.9
101.02448	4.0
113.02447	2.4
119.02674	0.5
119.03444	2.2
143.03540	0.5
149.04564	0.9
155.10768	0.6
161.04611	1.5
164.51434	0.5
179.05644	1.2
187.31453	0.5
215.12883	9.4
216.13399	0.6
223.17352	0.5
259.15576	1.2
331.17667	1.4
391.06595	0.5
391.19818	2.8
392.19937	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01722	1.8
61.98832	1.2
62.53591	0.5
64.99430	0.6
65.73720	0.5
70.08952	0.5
70.09283	2.5
71.01378	6.2
73.02950	2.3
75.13715	0.5
83.01404	0.7
85.02957	3.0
87.00866	0.5
89.02423	1.2
99.00896	0.9
101.02436	5.0
101.63776	0.5
113.02477	2.5
119.03512	0.9
123.04536	1.3
142.55325	0.5
150.03258	1.0
151.04044	2.1
161.04568	5.1
163.07452	0.5
165.05577	1.1
209.28204	0.6
223.40810	0.6
331.17615	9.3
331.21301	0.8
332.18216	1.4
391.20099	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03455	1.9
58.00591	0.7
59.01379	100.0
60.01707	2.1
61.01810	0.6
61.98830	0.8
69.03467	0.6
71.01382	15.3
71.51595	0.6
72.99318	1.2
73.02949	7.7
75.00885	0.9
77.22279	0.4
80.96545	0.5
83.01384	3.0
83.05015	0.5
85.02951	4.6
85.06588	1.0
87.00889	1.1
89.02448	7.8
93.03459	2.1
95.01406	1.1
97.06614	1.9
99.00878	1.1
99.90908	0.4
101.02447	10.8
102.02844	0.5
111.04525	0.8
113.02453	9.5
114.02797	0.6
119.03525	2.9
131.03548	0.6
138.55571	0.4
143.03497	1.4
149.04591	1.8
159.03012	0.7
161.04526	4.1
173.04626	2.2
179.05727	0.8
181.08727	0.5
185.08246	1.4
187.13403	3.8
197.11923	0.8
199.09856	0.5
215.12869	5.5
216.08992	1.1
226.42101	0.5
259.11859	5.8
299.43643	0.5
331.17502	5.2
332.17752	0.6
342.07059	0.5
349.18521	5.6
380.12662	0.7
391.15424	2.9
391.20343	1.0
409.02795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.4
56.40322	0.6
57.03445	1.3
59.01378	100.0
60.01730	0.9
63.32215	0.6
65.36984	0.6
71.01373	6.4
73.02954	2.0
75.00837	0.7
83.01375	0.9
85.02969	2.7
85.12641	0.5
87.00924	0.7
89.02441	5.5
99.00879	0.7
101.02440	4.6
105.24329	0.7
111.08127	1.6
113.02457	2.0
119.03518	2.3
139.11304	4.3
140.11723	0.7
143.03502	0.6
146.17210	0.6
147.03053	1.2
155.73119	0.6
161.04578	2.3
173.08228	2.6
181.12393	2.3
183.10284	5.0
199.13460	1.1
215.12866	1.0
225.11450	0.9
243.12346	14.0
243.14647	1.0
244.12723	1.2
259.15616	2.0
285.55884	0.7
311.28479	0.6
331.17664	5.0
332.17810	0.7
391.15750	6.6
391.20438	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.7
57.03451	1.6
59.01378	100.0
60.01723	2.0
61.98835	2.2
69.03471	0.8
69.35715	4.9
71.01378	16.6
72.99304	1.1
73.02946	12.3
83.01389	4.2
84.67399	0.6
84.88704	0.7
85.02943	5.1
87.00893	1.4
89.02440	11.1
91.00655	0.7
95.01391	1.6
97.06582	6.5
99.04519	1.6
101.02448	12.3
105.01943	0.7
113.02448	7.9
119.03495	3.0
123.04551	1.1
128.03529	0.6
135.04541	0.7
137.09755	2.9
141.05602	3.1
143.03531	1.5
149.04550	1.5
156.37952	0.7
161.04532	3.6
164.04817	1.2
164.31299	0.8
173.08340	0.7
173.91904	0.7
179.05696	1.6
179.07132	0.8
181.08768	1.0
187.13356	4.2
197.11823	1.6
207.06657	1.4
215.12900	2.6
215.16229	0.7
228.66946	0.7
259.11850	11.9
260.12317	1.2
267.23807	0.7
305.02902	0.8
325.11407	0.7
331.17746	2.9
343.12012	1.9
344.59302	0.7
349.18637	7.7
350.18954	1.1
391.15741	6.3
392.16348	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27245	4.4
69.90672	23.3
69.91048	6.8
75.03168	4.7
78.61922	5.0
91.28135	4.0
99.04518	100.0
125.97631	4.3
135.18683	4.6
157.06544	8.9
159.08165	5.7
169.10190	8.6
171.08098	6.5
173.09682	21.7
175.07646	8.8
185.06113	12.6
188.72263	5.0
197.09682	25.9
215.10796	56.9
241.08759	6.7
247.10944	4.5
247.13321	28.0
259.09924	9.2
309.13388	7.9
391.21213	11.2
409.97284	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27246	0.7
59.01379	100.0
60.01714	1.4
68.92409	0.7
70.27380	2.4
70.30756	0.7
71.01376	9.8
73.02934	2.2
79.95688	0.7
82.05058	0.7
83.01407	0.8
85.02951	3.4
87.00870	1.1
89.02441	8.5
94.43207	0.9
95.01408	0.8
96.96024	1.6
98.20650	1.0
99.00878	4.7
101.01319	1.2
101.02439	7.6
111.08190	1.0
113.02451	3.7
119.03478	3.7
127.00351	1.0
127.77265	0.9
143.03488	1.5
145.88644	1.0
161.04553	4.7
164.07201	0.8
173.08211	1.1
179.05594	1.1
215.71739	0.8
217.01425	1.2
217.13506	1.0
220.14018	0.8
259.15497	1.2
285.15970	0.9
311.72614	0.9
331.17639	11.9
332.17786	1.0
391.06607	3.6
391.19614	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	389.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84771	8.3
59.01383	100.0
70.94314	19.4
72.00375	7.8
90.31308	6.8
94.42679	7.0
106.27109	8.7
285.33765	9.1
364.21091	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	390.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	18.1
59.36991	4.3
61.98831	100.0
62.14255	4.4
65.13004	4.3
71.52676	7.2
71.53049	5.2
74.04010	4.4
74.69594	4.4
96.95996	34.5
99.04515	10.2
118.96538	6.4
223.96400	5.8
278.21338	6.4
391.17813	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	391.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62578	2.2
56.98029	2.5
58.99593	6.8
59.01379	81.4
60.64852	2.1
62.28687	2.0
63.96232	17.6
69.56292	15.0
71.01409	3.3
81.31611	2.1
87.65848	2.1
93.03436	4.1
94.17899	2.0
97.01179	2.3
98.28925	2.2
99.04527	5.3
102.98595	31.9
107.05005	1.9
108.00396	6.0
108.02152	5.1
109.01180	19.0
110.35999	1.8
110.99120	7.1
120.16154	2.1
121.02941	8.4
123.99832	2.2
125.00657	12.1
137.00696	3.1
151.99368	44.6
152.00601	2.6
153.00172	30.9
161.00679	4.5
163.46655	2.1
187.07703	3.1
197.27971	2.5
199.05862	4.7
229.08704	5.5
243.04851	100.0
244.05124	11.3
261.05795	11.6
263.41354	2.1
338.30594	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80074	2.9
59.01386	12.9
61.98831	21.8
69.51582	11.4
69.51988	6.8
71.01369	3.1
98.19807	4.3
99.04523	100.0
100.04827	4.6
103.30685	2.8
121.06579	3.9
128.10547	2.6
128.88646	3.3
129.56573	2.6
142.60178	2.8
157.06564	10.2
159.04495	3.6
169.10231	10.0
171.08096	6.0
173.09721	22.7
174.09964	2.8
175.07587	10.0
180.95499	3.1
185.06030	10.0
187.07619	2.7
189.09244	4.4
191.10794	3.0
197.09724	33.3
200.08379	8.2
201.05334	3.1
213.09215	3.2
215.10741	47.5
216.11047	4.3
241.08513	3.4
247.13373	28.6
259.09726	11.4
259.17099	4.6
317.21216	4.9
359.18515	3.4
391.21432	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	389.2334
Annotation	5-trans Latanoprost(free acid)
Peak:m/z	Relative Intensity
50.60213	0.6
51.02710	0.5
59.01382	3.2
61.98816	1.7
70.43470	0.6
70.43804	2.2
71.01373	0.9
89.02445	7.4
144.95358	0.6
160.62634	0.6
198.01653	0.8
211.13367	1.8
243.61803	0.6
272.44794	0.6
279.35834	0.6
297.73544	0.7
299.20255	3.7
300.20697	1.0
317.21216	8.0
318.21432	0.8
357.17020	2.4
362.45209	0.6
389.23309	100.0
390.23611	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	389.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02144	7.2
57.03439	9.2
59.01366	23.3
69.21114	29.4
69.21533	48.8
69.35327	7.1
71.01373	9.4
79.95744	8.3
80.96516	20.9
81.03465	39.7
83.01392	13.0
125.02425	16.2
151.03528	8.3
157.50774	7.9
211.20773	8.0
237.22269	13.2
255.23303	25.5
367.96765	8.2
389.26828	100.0
390.19965	39.6
390.27151	12.4
392.57300	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	389.2697
Annotation	Pregnan-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3b,5b,6a)-
Peak:m/z	Relative Intensity
59.01368	1.9
71.01401	0.9
71.85616	0.7
79.95776	1.0
80.96516	2.2
81.03455	2.4
106.38285	0.8
109.18865	0.7
125.02480	1.4
196.89967	0.7
218.66833	0.8
225.00821	1.2
228.17871	0.8
255.23222	2.1
389.26953	100.0
390.19769	3.3
390.27261	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	389.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
66.86127	2.1
71.51558	3.1
71.51927	3.0
80.96542	5.3
87.17194	2.2
98.23799	2.1
115.14079	2.1
133.38644	2.2
133.58917	2.4
142.05035	2.4
143.54759	2.5
217.59583	2.7
225.00659	2.7
255.23190	3.0
299.04297	3.0
339.18002	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	389.2179
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
55.01878	4.1
57.03452	6.0
58.00591	2.5
59.01381	100.0
59.06396	0.8
60.01714	1.4
62.46430	0.8
71.01384	86.3
71.05023	9.4
71.52047	0.7
72.01720	2.4
72.99307	3.0
73.02944	25.3
74.02460	0.8
75.00879	1.6
83.01395	9.2
85.02953	35.7
86.03314	1.2
87.00873	3.9
89.02445	31.1
93.03469	1.3
95.01413	5.8
97.02961	1.7
98.03746	2.5
99.00875	11.6
101.02448	58.5
102.02773	2.1
109.06602	1.7
111.00887	1.7
113.02455	37.3
114.02824	1.4
114.59195	0.9
119.03498	12.8
120.99650	2.4
123.08109	1.1
124.05302	1.6
125.02421	2.0
127.07622	2.3
131.03510	1.6
134.03720	1.5
137.09747	6.1
138.06874	1.6
139.07660	11.7
143.03488	4.6
145.01369	1.5
149.04517	1.9
149.09767	1.6
151.07626	0.9
153.09236	7.0
155.10780	39.7
156.11075	1.8
159.03004	7.7
161.04561	38.1
162.04764	1.0
167.10788	4.0
179.05565	2.1
185.11826	67.0
186.12215	4.0
193.05009	1.7
209.15463	0.9
227.12912	1.7
227.16522	66.3
228.16826	4.7
248.60562	0.8
257.13861	2.7
303.18121	0.9
329.15912	6.8
347.17068	20.7
348.17242	1.8
389.17786	12.6
389.21991	3.8
390.18182	2.2
390.22641	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2178
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
55.01881	4.9
57.03449	6.3
58.00590	3.1
59.01379	100.0
59.85514	1.0
69.03460	1.7
69.39870	4.1
69.40287	3.2
71.01380	75.1
71.05024	9.3
72.99314	1.9
73.02943	21.8
75.00896	1.6
77.34843	0.9
80.32272	0.8
83.01382	7.8
85.02952	31.6
87.00877	3.3
89.02440	27.3
95.01389	6.1
97.02950	2.3
97.06548	1.3
98.03715	2.3
99.00874	10.9
101.02441	55.3
102.02802	1.1
109.06608	1.0
113.02452	32.4
118.98074	1.3
119.03499	11.0
120.99683	1.3
123.08159	1.1
124.05317	2.4
125.02400	1.9
127.07615	2.6
129.01933	1.9
130.51338	0.9
131.03464	1.4
134.03722	1.8
137.09731	7.3
138.06792	1.1
139.07672	9.8
143.03497	4.6
145.01410	1.8
149.04512	1.9
149.09694	2.8
153.09213	6.0
155.10773	34.9
156.11073	1.6
157.12341	1.0
159.02988	7.5
161.04558	31.9
162.04886	1.1
167.10745	5.9
178.02713	0.9
179.05588	2.3
185.11819	81.8
186.12154	5.4
193.05011	1.4
199.07980	0.9
199.09795	1.5
209.11838	1.1
227.12857	2.5
227.16510	53.9
228.16823	4.8
257.13968	2.8
303.18106	2.2
305.74545	1.1
313.11588	1.0
329.15979	7.5
330.16382	1.4
347.17078	24.8
348.17389	2.7
389.17813	16.0
389.21988	3.5
390.18292	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77431	0.8
55.01877	2.5
57.03454	4.4
58.00590	2.4
58.14748	0.7
58.48795	0.7
59.01379	100.0
60.01723	1.4
61.94315	0.8
61.98812	1.1
63.61110	0.9
66.35400	0.7
69.03436	1.4
69.70647	3.0
69.71054	1.5
71.01379	52.1
71.05010	1.1
72.01723	1.2
72.99309	2.2
73.02944	13.3
77.10709	0.9
79.95764	0.9
80.96515	1.5
81.03452	1.1
83.01386	6.1
83.05000	1.3
85.02946	17.8
86.68224	0.8
87.00877	10.3
89.02444	31.5
89.96476	0.8
91.29922	0.9
95.01387	4.0
96.95969	1.1
97.02959	1.5
98.20007	1.6
99.00900	4.5
101.02440	33.8
101.03110	1.9
102.02802	1.1
109.06588	2.0
111.00873	1.1
113.02447	24.7
115.92054	1.5
119.03497	13.6
120.99627	2.7
125.02442	1.2
125.96671	0.8
127.07667	1.3
129.01936	1.0
135.11867	1.1
143.03485	2.9
147.11765	1.8
149.04524	2.4
153.09241	1.4
155.10707	2.0
159.02983	3.4
161.00912	0.9
161.04547	17.9
162.04979	1.1
179.05562	3.2
185.11765	2.3
191.05455	1.1
209.11832	7.2
221.49098	0.8
227.16533	5.1
257.13937	3.9
308.19547	0.9
329.15952	2.8
347.17072	4.4
389.13361	0.8
389.17715	12.3
389.21936	5.8
390.18417	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	389.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.1
57.03450	5.9
58.00592	1.9
59.01378	100.0
59.70352	0.7
60.01718	1.9
61.98817	2.8
66.47723	0.6
68.38947	0.6
68.99824	1.1
69.03447	1.3
70.09018	3.1
71.01379	89.7
72.01718	1.9
72.99291	2.1
73.02945	27.9
75.00867	1.5
83.01385	12.7
85.02948	38.2
86.03262	1.3
87.00865	5.4
88.04046	5.4
89.02444	18.0
95.01405	6.2
97.02927	1.7
99.00879	10.3
101.02440	60.8
111.04521	0.8
113.02448	39.1
114.02752	1.5
119.03502	5.9
125.02394	2.8
129.01883	1.5
131.03490	0.7
143.03503	5.1
153.09088	1.1
155.10677	2.0
159.02977	9.7
161.04547	41.4
162.04800	1.9
185.11702	0.8
191.05499	1.7
205.03470	0.8
227.12955	0.7
227.16460	3.7
258.20471	0.6
329.15686	1.8
343.72141	0.7
347.16852	1.7
355.17038	0.8
389.08344	0.8
389.13284	1.0
389.17023	4.4
389.21393	6.3
390.22125	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.1
57.03452	6.0
58.00591	2.5
59.01381	100.0
59.06396	0.8
60.01714	1.4
62.46430	0.8
71.01384	86.3
71.05023	9.4
71.52047	0.7
72.01720	2.4
72.99307	3.0
73.02944	25.3
74.02460	0.8
75.00879	1.6
83.01395	9.2
85.02953	35.7
86.03314	1.2
87.00873	3.9
89.02445	31.1
93.03469	1.3
95.01413	5.8
97.02961	1.7
98.03746	2.5
99.00875	11.6
101.02448	58.5
102.02773	2.1
109.06602	1.7
111.00887	1.7
113.02455	37.3
114.02824	1.4
114.59195	0.9
119.03498	12.8
120.99650	2.4
123.08109	1.1
124.05302	1.6
125.02421	2.0
127.07622	2.3
131.03510	1.6
134.03720	1.5
137.09747	6.1
138.06874	1.6
139.07660	11.7
143.03488	4.6
145.01369	1.5
149.04517	1.9
149.09767	1.6
151.07626	0.9
153.09236	7.0
155.10780	39.7
156.11075	1.8
159.03004	7.7
161.04561	38.1
162.04764	1.0
167.10788	4.0
179.05565	2.1
185.11826	67.0
186.12215	4.0
193.05009	1.7
209.15463	0.9
227.12912	1.7
227.16522	66.3
228.16826	4.7
248.60562	0.8
257.13861	2.7
303.18121	0.9
329.15912	6.8
347.17068	20.7
348.17242	1.8
389.17786	12.6
389.21991	3.8
390.18182	2.2
390.22641	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2178
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
54.51538	0.5
55.01878	10.1
57.03443	6.7
58.00596	1.6
59.01381	93.0
60.01717	1.3
61.98836	1.7
66.10938	0.5
68.99815	1.1
69.03465	1.2
71.01382	100.0
71.23376	0.7
72.01722	2.1
72.99302	3.2
73.02946	33.5
74.47883	0.5
75.00874	2.2
79.78218	0.5
81.03488	0.8
83.01389	13.6
84.02169	0.7
85.02953	46.2
86.00093	0.6
86.03310	0.6
87.00881	4.6
88.04041	2.5
89.02447	19.8
93.03459	0.7
95.01389	7.8
95.01934	0.8
95.85150	0.7
97.02963	2.7
99.00883	13.0
99.04515	0.7
99.85904	0.5
101.02443	73.4
102.02800	1.9
111.00867	0.8
113.02454	43.3
114.02776	1.2
115.04033	0.9
119.03500	6.0
125.02421	2.2
129.01942	2.2
131.03479	1.7
139.07639	1.2
143.03491	4.6
149.04555	0.8
153.09189	0.7
155.10759	2.5
159.03001	10.9
161.04562	50.7
162.04881	2.1
173.04475	0.7
175.04207	0.6
179.05632	1.3
183.13788	0.6
185.11774	0.6
191.05630	0.9
205.03465	1.3
227.16566	5.0
291.16962	0.6
329.15866	2.1
341.29520	0.6
347.17053	1.2
353.08655	0.6
389.08762	0.7
389.17712	2.4
389.22083	9.8
390.22266	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1818
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03443	2.1
59.01377	18.5
63.88309	0.7
69.54153	0.7
71.01377	5.8
73.02943	1.5
75.00848	1.0
83.01355	0.8
83.05031	1.1
85.02962	2.4
87.04521	0.9
88.04028	0.9
88.42487	0.8
89.02424	3.3
97.06580	1.2
101.02453	2.9
102.49444	0.7
104.17419	0.9
111.08128	2.4
113.02451	5.0
129.01935	1.4
143.03462	0.9
147.03006	2.9
161.04529	1.2
163.11258	0.8
165.12845	25.7
166.13182	2.8
173.91719	0.9
183.13901	76.9
184.14215	6.5
185.11749	1.2
186.64731	0.7
195.13742	0.9
197.15469	3.0
207.13953	2.7
209.11804	4.3
225.14868	1.6
227.12878	100.0
228.13165	8.2
229.52592	1.2
231.03609	1.0
251.12924	3.1
254.08015	0.8
257.13965	1.3
257.17603	1.6
258.06268	0.9
259.13797	2.1
269.13901	2.2
270.04770	1.1
288.06778	0.9
357.15375	1.5
389.17984	1.8
389.25073	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
57.03442	1.4
58.00594	2.3
59.01379	100.0
59.22353	0.6
60.01710	1.6
66.45133	0.8
69.03459	0.8
69.83755	2.5
71.01382	16.6
72.01736	1.2
73.02945	6.9
75.00883	2.9
83.01389	1.8
85.02958	7.0
87.00887	2.4
89.02446	11.0
93.03455	0.9
95.01417	1.9
95.05052	0.7
98.20638	1.0
99.00897	1.8
101.02441	12.4
103.02862	0.7
107.47913	0.7
109.06583	4.5
113.02470	7.8
117.02000	0.7
119.03510	4.7
127.07639	4.9
131.03505	0.8
135.03001	11.3
149.04567	2.0
155.10789	1.1
159.02979	0.7
161.04538	7.9
161.13345	0.8
173.04565	1.8
179.05659	1.1
185.11948	1.2
193.05109	0.8
195.10394	0.7
198.47124	0.6
209.15521	1.2
213.11266	0.7
227.13040	1.4
227.16595	2.4
239.09174	1.1
257.14148	1.1
269.09317	0.8
271.15634	3.0
329.16165	1.9
347.17288	2.6
389.17834	7.4
389.22583	1.4
390.18790	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
59.01378	10.0
63.60366	0.3
69.03475	0.3
69.84780	1.0
69.85180	0.8
71.01381	4.7
73.02947	0.7
85.02959	1.8
89.02444	3.7
95.01395	0.6
96.95988	0.3
97.06557	0.4
98.20538	0.6
100.74294	0.3
100.99847	0.3
101.02448	2.1
103.66254	0.3
111.08146	2.0
113.01701	0.5
113.02448	3.7
119.03480	0.6
143.03563	0.3
161.04564	0.8
165.12839	23.6
166.13206	2.0
179.05574	0.7
181.12312	0.4
183.13889	79.9
184.14223	6.2
185.11803	0.4
195.13860	0.4
197.15485	2.1
207.13811	1.5
209.11838	3.3
224.57089	0.3
225.14958	1.6
227.12872	100.0
228.13187	9.0
251.12854	3.1
251.52744	0.4
257.17841	0.4
269.13989	1.7
293.14023	0.6
329.15909	0.4
360.86462	0.3
389.18182	2.0
390.20413	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
57.03441	3.9
59.01379	100.0
60.01730	1.9
69.03433	1.4
69.22944	3.3
69.23361	7.3
71.01382	29.5
71.05048	1.2
73.02946	18.9
79.26224	1.3
81.03482	1.0
83.01390	8.5
85.02946	11.1
87.00874	2.4
89.02452	10.3
95.01406	2.5
99.00914	5.2
101.02447	27.8
102.02788	2.2
113.02467	12.5
119.03514	4.4
127.07682	2.3
131.03481	1.3
134.03748	3.5
136.62857	1.1
137.10802	1.3
138.12054	1.0
143.03474	2.6
143.07123	1.8
149.04509	1.4
153.18605	1.1
159.03047	1.2
161.04585	8.7
179.05579	2.5
185.11812	6.6
193.05046	5.1
209.11905	1.8
213.88405	1.0
257.13840	2.9
303.18124	8.6
306.95337	1.3
329.16031	4.3
347.17105	11.4
389.18152	24.4
390.18646	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	389.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03447	1.0
58.00604	0.6
59.01379	100.0
60.01717	1.4
68.18076	0.4
68.51881	0.5
70.04230	2.3
71.01382	14.6
72.99313	0.7
73.02943	5.1
74.60506	0.5
83.01405	1.9
85.02953	5.2
87.00884	1.3
87.04540	0.6
88.04061	1.9
89.02447	7.4
95.01397	1.3
98.19132	0.5
99.00893	1.2
101.02448	9.8
113.02455	8.3
117.35734	0.4
119.03471	3.0
125.02415	0.8
137.09787	0.5
143.03491	0.5
149.04523	0.8
159.03038	1.1
161.04549	5.9
166.02654	0.6
179.05475	0.5
181.54442	0.5
191.05693	0.6
219.61826	0.5
257.10260	0.9
257.13995	0.6
257.86377	0.5
329.16183	1.2
347.17194	1.7
376.77933	0.6
389.13919	1.3
389.18262	4.4
390.18900	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85214	0.7
55.01876	3.2
57.03441	3.1
59.01381	100.0
60.01713	1.1
69.03442	1.1
69.98512	0.7
71.00550	2.2
71.01381	27.6
72.99308	1.5
73.02946	15.8
82.31211	0.7
83.01392	7.9
83.05031	1.2
85.02949	19.6
85.06571	1.0
86.00076	1.4
87.00882	2.1
89.02451	3.1
93.51271	0.8
95.01392	2.8
99.00874	8.3
101.02443	29.1
113.02459	11.9
119.03471	0.8
123.80598	0.8
125.02452	0.9
127.83089	0.8
129.01993	0.9
140.39449	0.7
143.03523	1.6
159.02942	1.4
161.04536	9.3
167.10803	1.1
185.11835	2.2
257.13995	1.5
259.13550	0.9
301.12869	2.2
303.18118	25.9
304.18491	3.3
321.45523	0.9
327.05310	0.9
329.16095	6.6
330.16406	1.1
347.17120	11.3
389.18188	50.8
390.18500	6.8
403.36526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01710	1.5
61.98821	2.1
65.98769	0.7
68.18984	0.7
69.03461	0.8
71.01385	11.6
71.51151	0.9
73.02945	7.0
77.61296	0.7
83.01386	1.6
85.02940	3.5
87.00877	1.8
89.02438	6.5
93.03490	1.0
95.01492	0.7
99.00883	1.6
101.02447	10.7
113.02479	2.9
119.03523	1.7
125.02463	8.1
140.03658	0.8
143.03525	1.0
150.03226	10.2
151.17505	0.8
153.09285	0.7
161.04572	2.8
165.05568	20.0
165.06906	1.2
179.05687	0.9
191.05804	0.9
196.03796	1.8
200.48946	0.9
211.06204	2.8
226.08514	2.2
226.19839	0.8
227.09248	3.9
247.64900	0.8
251.13031	0.7
257.10553	0.8
327.10950	1.0
329.16095	1.2
347.17316	2.0
389.09940	0.9
389.14539	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	39.0
60.01718	0.7
61.98817	1.0
64.00036	0.4
71.01380	4.4
71.06894	1.1
73.02948	2.1
73.77181	0.5
78.85582	0.5
83.01366	0.5
85.02962	1.3
87.00874	0.6
89.02444	2.4
96.96037	0.8
101.02421	3.0
113.02460	1.9
119.03518	1.1
125.02454	1.7
136.91956	0.5
143.03389	0.6
145.64032	0.4
149.02428	0.7
150.03229	76.0
151.03552	3.7
161.04533	2.1
164.04831	0.6
165.05571	100.0
166.05899	6.3
180.04306	0.9
195.06625	1.4
227.09250	14.8
228.09534	0.9
327.10880	6.0
329.16153	0.8
347.17001	0.9
389.14236	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	387.2538
Annotation	Plakortolide I
Peak:m/z	Relative Intensity
59.01362	0.2
70.07750	0.5
87.04502	1.5
131.17725	0.2
148.86604	0.2
150.91583	0.2
212.85075	0.3
299.20184	0.7
387.25369	100.0
388.25708	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	387.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32531	3.5
59.01379	100.0
61.98835	9.1
71.01373	4.5
71.52419	4.6
79.56559	3.1
89.82085	4.0
101.02449	5.6
135.04590	3.8
189.55093	3.4
225.14903	6.4
345.20956	4.3
387.21942	6.5
387.26038	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	387.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08659	2.7
59.01379	100.0
61.98820	6.9
69.43735	21.9
71.36526	2.6
73.73902	2.5
78.79347	2.7
87.00870	6.9
98.20732	3.2
101.66889	2.7
121.74675	2.7
345.20923	3.2
368.54391	2.9
387.21432	25.3
387.25598	8.3
387.30157	2.8
404.67029	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	388.174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33153	0.6
55.56312	0.6
59.01384	1.9
61.98830	100.0
71.01402	0.5
71.53226	1.0
82.84154	0.5
87.00883	0.9
115.85220	0.6
135.04564	1.0
136.04860	1.0
303.19635	13.7
304.20062	2.0
344.64264	0.6
357.16980	0.6
388.17484	48.5
389.17789	7.1
389.22961	1.0
409.26358	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0877
Annotation	5,3',5'-Trihydroxy-3,6,7,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
53.00315	0.7
59.01379	5.2
67.01918	0.7
68.99855	2.3
71.01408	0.8
71.06264	0.7
71.53971	1.0
72.99313	5.4
87.00938	0.9
89.95442	0.7
93.03510	0.9
96.72191	0.8
96.96001	3.7
97.02986	1.0
101.02509	1.1
133.02991	2.4
137.02498	2.4
145.02986	2.2
146.03792	0.8
147.04565	2.5
148.01662	1.3
149.49203	0.7
154.93045	0.8
157.03024	1.0
160.05299	6.0
161.02454	4.0
163.03978	1.4
173.02480	2.6
175.03998	0.8
176.01173	1.3
180.97856	1.7
187.04008	11.2
187.07677	1.5
188.04626	0.9
189.01900	4.9
194.99290	0.9
201.01944	4.4
201.05524	1.2
203.07100	1.1
204.04297	1.7
209.00877	1.0
213.01982	0.9
215.07089	1.1
216.04382	1.8
217.01364	6.3
227.10983	0.8
229.01430	5.0
229.08723	1.1
232.03757	19.8
233.00861	1.6
233.04070	1.6
244.03804	4.0
245.00865	7.1
247.09695	0.9
256.00195	1.3
257.00937	5.1
259.02414	3.1
260.03229	8.7
271.02512	2.9
272.03232	15.8
273.00409	7.2
273.03381	1.6
275.05698	1.2
287.01913	2.2
287.05563	1.5
288.02728	11.5
289.03003	0.9
298.01358	1.2
299.02225	1.6
300.02719	1.9
300.99896	15.1
302.00427	0.8
313.03448	1.2
314.31284	0.8
315.01486	1.0
315.47766	0.8
316.02219	57.0
317.02618	4.1
328.99374	1.9
331.04501	4.2
344.01682	41.2
345.02103	4.3
359.04059	79.8
360.04413	10.7
374.06403	100.0
375.06738	12.8
389.08759	64.7
389.16425	2.3
390.09164	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.3
57.03446	5.0
58.00595	3.7
59.01379	100.0
60.01726	1.5
66.79791	0.5
69.03461	1.0
70.21092	1.0
70.21484	1.1
71.01382	80.0
71.21747	0.4
72.01726	1.3
72.99310	4.5
73.02946	13.8
74.03287	0.4
75.00880	1.8
81.03455	0.7
83.01389	7.8
84.02173	0.6
85.02951	25.4
87.00883	4.3
89.02444	62.2
90.02779	1.1
93.03456	0.5
95.01395	6.5
97.02956	1.6
97.06593	0.5
99.00877	5.1
101.02442	56.6
102.02797	1.6
109.06584	0.8
111.00887	1.4
111.08168	1.1
113.02452	31.5
114.02793	1.2
118.98074	0.6
119.03510	28.9
120.99657	1.0
121.06622	1.0
123.08182	1.2
125.02450	1.2
129.01939	0.8
131.03520	3.5
135.08238	0.5
137.09746	0.6
138.06876	1.7
139.07658	8.7
143.03508	5.8
149.04594	2.8
153.09210	4.7
159.02995	4.0
161.04552	18.2
162.05032	0.8
166.92549	0.5
179.05602	5.7
180.05959	0.8
195.13914	2.9
207.13914	0.8
225.14941	11.6
226.15367	1.3
255.12381	0.5
387.11987	1.1
387.20276	26.4
388.20587	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2177
Annotation	6beta,17beta-Dihydroxyandrost-4-en-3-one diacetate
Peak:m/z	Relative Intensity
56.49326	0.7
59.01379	100.0
60.01702	1.0
66.09252	0.6
70.94720	1.2
71.01384	1.0
72.99284	0.6
76.86183	0.6
89.02470	0.6
97.06608	1.5
99.10476	0.6
107.44085	0.6
109.03071	0.6
113.02468	0.7
136.05350	0.7
149.06122	0.8
153.09265	0.7
158.65486	0.7
162.06897	1.0
175.07745	1.3
189.09251	2.6
190.10077	1.9
191.10725	0.7
202.10077	1.2
203.10799	1.5
209.54094	0.7
217.12398	1.9
218.09584	2.1
223.87360	0.6
225.15022	1.1
230.13266	1.0
256.14813	2.0
269.21210	1.5
271.17111	2.8
272.17584	0.8
274.15793	1.1
283.17093	1.7
284.18024	0.9
289.18118	4.7
290.18384	1.0
299.20273	1.5
301.18271	2.8
302.18909	1.4
303.22711	0.7
317.21158	3.5
327.19644	7.3
328.20227	1.2
330.18539	0.9
345.20679	37.3
346.21069	5.0
387.21677	7.6
388.22256	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
56.02840	0.3
57.03449	6.0
58.00593	2.1
59.01380	45.0
60.01720	0.7
69.03471	1.1
69.80403	2.1
69.80692	0.7
71.01381	52.9
71.05022	3.5
72.01732	0.8
72.99299	2.2
73.02943	11.9
75.00882	0.6
79.25756	0.4
79.95749	0.6
80.39995	0.4
81.03486	1.1
83.01381	4.5
85.02950	19.2
86.03295	0.6
87.00870	1.8
89.02447	23.6
95.01386	4.6
95.05026	1.7
96.96011	7.6
97.02947	2.3
98.03728	0.8
99.00887	4.4
99.08180	0.6
100.43301	0.4
101.02443	29.7
109.06606	2.0
111.00909	0.5
111.04527	1.2
113.02454	21.5
119.03503	8.9
123.08176	1.4
125.02454	0.8
129.01881	0.5
131.03481	1.2
135.08176	0.8
136.05305	1.0
137.06085	1.0
137.09714	1.8
138.06866	26.7
139.07368	0.8
143.03505	2.3
149.04555	0.9
149.09686	0.7
150.06831	0.5
152.08330	0.4
153.09213	65.7
154.09540	3.4
155.10773	0.9
159.02974	3.5
161.04549	18.7
162.04971	0.5
163.11240	0.7
165.12854	0.9
179.05617	2.3
192.11519	0.7
207.13885	6.3
208.14206	0.7
225.14949	100.0
226.15291	8.6
241.00215	0.7
253.29790	0.4
288.17413	0.5
301.16718	0.5
338.66547	0.4
345.15512	0.7
387.13025	10.5
387.20532	3.3
388.13345	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.3
57.03446	5.0
58.00595	3.7
59.01379	100.0
60.01726	1.5
66.79791	0.5
69.03461	1.0
70.21092	1.0
70.21484	1.1
71.01382	80.0
71.21747	0.4
72.01726	1.3
72.99310	4.5
73.02946	13.8
74.03287	0.4
75.00880	1.8
81.03455	0.7
83.01389	7.8
84.02173	0.6
85.02951	25.4
87.00883	4.3
89.02444	62.2
90.02779	1.1
93.03456	0.5
95.01395	6.5
97.02956	1.6
97.06593	0.5
99.00877	5.1
101.02442	56.6
102.02797	1.6
109.06584	0.8
111.00887	1.4
111.08168	1.1
113.02452	31.5
114.02793	1.2
118.98074	0.6
119.03510	28.9
120.99657	1.0
121.06622	1.0
123.08182	1.2
125.02450	1.2
129.01939	0.8
131.03520	3.5
135.08238	0.5
137.09746	0.6
138.06876	1.7
139.07658	8.7
143.03508	5.8
149.04594	2.8
153.09210	4.7
159.02995	4.0
161.04552	18.2
162.05032	0.8
166.92549	0.5
179.05602	5.7
180.05959	0.8
195.13914	2.9
207.13914	0.8
225.14941	11.6
226.15367	1.3
255.12381	0.5
387.11987	1.1
387.20276	26.4
388.20587	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.9
57.03447	2.0
58.00597	3.9
59.01380	100.0
60.01722	1.5
69.03437	0.5
69.15219	1.5
69.15634	3.9
69.91526	0.5
71.01382	53.9
72.01733	1.2
72.99312	3.6
73.02940	3.6
81.03468	0.5
83.01395	2.7
85.02946	12.2
87.00869	2.6
89.02444	64.0
90.02780	1.4
90.06312	0.5
95.01393	4.2
96.96049	0.6
99.00885	1.1
101.02444	31.7
101.69241	0.6
102.02812	0.8
113.02449	22.7
114.02790	0.7
119.03503	24.9
120.03868	1.2
120.99677	1.4
125.02469	0.8
129.21950	0.5
131.03519	2.8
143.03441	2.8
149.04579	2.2
149.06091	0.8
151.04034	1.2
159.02939	1.2
161.04553	8.1
163.11317	2.0
164.04774	1.0
164.07080	0.5
165.05573	1.4
179.05614	6.5
195.13916	0.7
207.10205	4.7
225.07681	4.7
225.14951	3.1
230.90562	0.5
234.47668	0.5
299.92490	0.6
334.29422	0.6
343.20007	0.9
387.16708	26.2
387.20593	6.2
388.16757	3.7
388.21359	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
57.03448	2.5
59.01378	12.0
69.03467	1.9
71.01379	5.2
71.52430	1.2
72.02180	1.5
73.02944	75.2
74.03279	1.0
75.00861	2.0
83.05012	0.9
85.02982	2.1
87.04516	3.1
89.02448	1.7
93.03448	0.9
95.73872	0.9
101.02415	1.6
112.63370	0.8
123.08146	2.9
131.03484	1.7
135.03009	8.4
140.71642	0.8
160.33070	0.9
165.12846	0.9
175.14917	2.1
181.12317	4.9
193.15891	4.7
196.26526	1.0
207.13884	1.2
209.11830	1.2
209.15428	1.4
255.16013	100.0
256.16360	11.0
265.22217	0.8
269.13919	9.5
270.14166	1.5
387.16104	2.9
387.20212	8.8
387.24380	1.2
388.20508	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	387.2023
Annotation	Icariside B5
Peak:m/z	Relative Intensity
55.01864	2.1
57.03447	7.4
58.00586	1.6
59.01379	54.7
60.01697	0.9
69.03436	0.7
69.41010	0.5
71.01382	56.9
71.05016	3.7
71.52215	1.0
72.01726	0.6
72.99298	2.0
73.02946	12.3
75.00859	1.3
79.95776	0.7
80.96509	0.6
81.03447	1.0
83.01376	5.1
85.02950	19.8
87.00876	2.9
87.60437	0.5
89.02444	25.5
95.01392	4.5
95.05029	2.2
97.02971	3.2
99.00873	5.8
99.08190	0.7
101.02441	30.6
103.03961	0.5
103.19980	0.6
109.06585	2.1
111.04490	1.1
113.02450	25.3
113.06075	0.7
114.02740	0.7
118.28120	0.6
119.03509	9.0
120.99635	1.3
121.10183	0.9
122.06100	1.6
122.99234	1.2
123.08139	1.2
125.02454	1.5
125.06096	1.1
131.03505	0.7
134.03735	0.5
135.08124	0.7
136.05334	1.1
137.06062	1.1
137.09708	1.7
138.06868	26.8
139.07314	0.9
143.03535	2.8
145.01347	1.0
149.04498	0.9
149.09668	0.8
151.07661	0.6
153.09212	61.6
154.09549	4.4
159.03026	3.4
161.04565	17.7
161.05907	1.2
162.04904	0.8
163.11179	0.6
165.12923	0.9
179.05566	2.5
183.10239	1.3
192.11505	0.8
204.36725	0.6
207.13858	5.5
225.14949	100.0
226.15311	9.9
243.11934	0.6
255.12260	0.6
301.16553	0.7
325.16235	0.8
387.10938	2.6
387.16318	2.4
387.20761	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77686	0.7
57.03449	1.2
58.00587	1.7
59.01379	100.0
60.01721	1.0
71.01380	36.3
71.52880	1.4
72.99319	3.4
73.02958	2.5
73.41325	0.7
81.41150	0.7
83.01411	2.1
85.02947	7.4
87.00893	1.8
89.02444	40.6
95.01382	3.0
95.86236	0.8
96.96032	2.9
99.00864	1.0
99.94531	0.7
101.02442	22.2
101.03115	1.4
102.02789	0.9
103.28328	0.7
105.54761	0.8
113.02447	15.9
119.03500	16.5
120.99662	3.3
123.04551	0.7
125.02450	0.9
131.03523	1.8
138.24812	0.8
143.03505	2.2
144.85030	0.8
147.61813	0.8
149.04567	0.9
149.06073	2.7
151.04022	3.3
154.04433	0.8
161.04570	3.3
163.11276	5.7
164.04819	1.8
165.05573	3.1
176.86639	0.9
179.05640	3.4
207.10266	12.7
225.07664	14.8
225.11194	1.0
226.08047	1.2
343.19934	1.0
387.16635	77.1
388.16913	10.4
388.21234	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1661
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01876	1.7
57.03453	1.8
58.00600	3.2
59.01380	100.0
60.01698	1.4
64.96377	0.4
69.29363	4.3
71.01383	50.9
71.68716	0.5
72.01716	0.9
72.99313	3.1
73.02945	3.8
83.01397	2.1
85.02950	11.1
87.00893	2.6
89.02447	55.4
90.02784	1.4
95.01393	3.2
96.96006	3.0
98.20653	1.1
99.00888	1.2
101.02444	31.1
102.02799	0.8
111.70014	0.5
113.02454	21.4
119.03503	25.3
120.03793	0.7
120.99649	1.4
125.02448	0.9
131.03499	2.7
137.02461	0.9
143.03528	3.6
149.04568	1.8
149.06104	1.8
151.04021	2.1
159.03049	1.2
161.04555	6.7
163.11275	3.1
164.04813	1.0
165.05565	1.0
179.05623	5.7
195.13884	1.0
207.10249	6.8
225.07695	6.5
225.14977	1.7
343.20114	0.6
387.16608	43.5
387.20401	3.4
388.16898	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	387.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.2
58.00583	0.7
59.01381	9.2
63.99905	0.6
66.06088	0.6
69.03450	2.0
69.33205	5.2
71.01383	5.9
72.02157	1.7
73.02943	71.7
74.03288	1.3
75.00864	1.0
85.02946	1.4
87.04498	3.2
89.02411	1.5
93.03477	1.2
98.19846	1.0
101.02471	0.7
111.08155	1.9
123.08131	3.2
131.03510	1.5
135.02991	4.1
149.18172	0.6
166.35841	0.6
170.55594	0.6
175.14908	1.9
181.12363	5.2
189.68843	0.7
189.97966	0.6
193.15988	2.9
206.69443	0.7
208.58385	0.6
209.11900	1.0
209.15479	1.9
225.14944	1.3
255.16005	100.0
256.16342	9.3
269.13907	4.3
345.22852	0.7
387.16119	1.3
387.20291	9.1
387.24313	1.1
388.20639	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	387.1661
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
50.50380	0.8
55.01876	2.0
57.03433	2.3
58.00576	1.0
59.01378	100.0
69.03432	0.9
71.01382	38.3
71.52308	1.1
72.99297	2.0
73.02950	19.4
79.72150	0.8
83.01380	7.5
85.02957	14.2
86.03325	0.9
87.00864	1.6
89.02446	18.4
93.56723	1.0
95.01398	3.0
96.96022	1.2
97.02949	0.9
97.06592	1.1
99.00871	3.6
99.04570	0.8
101.02439	34.4
102.02789	1.1
113.02454	16.9
119.03501	7.7
120.99674	4.8
121.02966	1.2
121.10193	3.9
122.06116	1.7
122.99226	3.2
125.02415	1.1
132.04622	1.0
136.01662	16.4
137.02429	3.3
143.03493	2.5
145.01451	5.9
149.04524	1.7
150.05600	1.2
151.00356	3.2
151.04010	22.9
152.72234	0.9
159.03001	2.2
161.04555	8.4
163.11234	0.9
165.09314	0.9
166.02715	9.9
167.03366	1.0
175.03821	0.8
181.05093	14.0
183.10291	7.4
225.11333	2.0
255.12300	1.7
273.63019	0.8
301.16663	5.3
311.10242	0.9
325.16565	2.6
327.14484	2.5
329.10452	1.1
338.97900	0.7
345.15515	4.7
357.09851	4.5
369.15613	1.5
372.12131	3.7
373.12210	1.0
387.16800	22.1
387.24692	1.6
388.17050	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	387.1448
Annotation	Flustramine D
Peak:m/z	Relative Intensity
52.52776	0.4
59.01374	1.9
65.07456	0.4
65.46822	0.4
69.54865	2.2
72.48994	0.4
77.04005	0.9
94.55222	0.4
95.05046	1.0
98.20657	0.5
99.00823	0.4
105.03462	6.5
107.05042	1.1
117.03455	1.0
119.05015	0.7
121.02944	0.7
123.04498	0.5
132.02182	1.9
133.01915	0.8
133.02960	27.7
134.03758	17.3
135.04529	63.8
136.04865	3.3
137.02441	2.4
146.03773	0.9
147.04529	1.9
148.05305	9.7
149.06100	3.2
150.03188	0.6
160.01657	4.7
161.02437	3.7
163.04013	4.8
164.04758	0.8
175.03986	2.8
177.01907	2.2
177.05534	0.8
178.02705	1.3
178.06358	0.4
179.03491	52.0
180.03848	2.8
181.05063	0.6
191.03474	0.6
193.05045	10.8
194.05331	0.7
205.05119	0.6
207.06628	4.3
208.06862	0.6
225.15025	0.6
267.06619	0.7
282.09177	0.5
353.10464	0.8
357.09766	3.0
371.11649	2.2
372.12085	21.6
373.12341	2.6
387.14481	100.0
388.14810	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	387.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39670	1.2
55.52585	1.4
59.01380	75.5
63.74392	1.2
69.35011	9.8
69.35438	1.8
71.01377	4.0
73.02955	8.0
75.00874	22.2
89.02451	5.2
98.19962	3.2
99.04516	4.4
117.01967	2.5
135.03001	87.7
136.01736	1.8
136.03345	3.1
151.00565	1.2
151.03983	1.8
153.09154	1.3
161.16399	1.2
164.04837	1.7
165.12856	4.1
166.05292	1.5
168.10161	1.2
181.12314	1.6
207.13885	8.9
209.11810	11.1
225.14990	6.5
251.12878	4.9
255.12393	3.5
255.16098	9.7
269.13919	100.0
270.14337	10.3
387.11481	2.8
387.16568	43.1
387.21191	2.4
388.16891	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	386.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17821	0.3
61.98829	100.0
66.45210	0.3
69.64391	2.0
74.22704	0.3
76.16350	0.3
101.67757	0.5
107.45896	0.3
112.77334	0.3
118.55876	0.3
151.00360	0.3
193.04782	0.4
258.31091	0.3
301.21713	5.0
302.22055	0.9
386.19476	42.1
387.19861	6.6
387.24942	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
72.83596	0.3
83.94443	0.3
86.93922	0.3
144.60030	0.3
155.15477	0.3
161.75919	0.3
181.35388	0.3
192.85345	0.3
212.92947	0.3
266.76221	0.3
289.17389	0.3
301.21741	3.6
302.22040	0.6
386.19470	33.6
387.19849	4.5
387.24915	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1451
Annotation	Flustramine D
Peak:m/z	Relative Intensity
54.13683	1.3
56.41486	1.2
59.01376	9.9
61.98809	3.2
67.17753	1.2
69.12381	1.3
71.01373	3.5
71.52838	1.6
85.02956	1.4
86.21757	1.2
105.03456	4.4
119.03469	1.6
132.02188	1.9
133.02968	27.5
134.03748	16.7
135.04532	64.9
136.04874	2.6
137.02454	2.0
138.35828	1.2
141.73053	1.1
147.04482	3.6
148.05302	11.3
149.06056	3.8
153.09250	1.6
158.99814	1.2
160.01608	4.8
161.02417	3.3
161.04529	1.3
163.03957	4.7
175.03993	3.0
177.01981	1.7
178.02675	1.9
178.06126	1.4
179.03499	54.2
180.03899	2.9
193.05031	9.7
195.13647	1.3
207.06607	5.3
225.15038	2.5
238.67491	1.4
305.21332	1.3
324.94336	1.4
357.09592	4.2
371.11276	2.3
372.12054	24.2
373.12546	3.1
387.14456	100.0
388.14789	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	385.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.6
57.03442	5.2
58.00593	3.2
58.60521	0.6
59.01378	81.1
60.01711	0.9
63.16911	0.6
69.03457	1.4
69.23703	5.9
71.01379	82.8
72.01718	1.2
72.99310	5.0
73.02943	13.7
75.00871	0.8
81.03497	0.6
83.01385	6.6
83.05011	1.7
84.02171	0.6
85.02946	27.6
87.00872	6.7
89.02442	48.2
90.02779	0.8
95.01392	6.8
95.05032	1.8
96.01729	0.7
96.96023	0.8
97.02939	7.0
98.19977	1.6
99.00878	5.9
101.02441	44.9
102.02801	0.9
105.07106	1.7
107.04997	0.9
108.05821	2.3
109.02950	0.9
109.06572	1.8
111.04515	1.5
111.08174	0.7
113.02449	33.7
113.06071	3.7
114.02807	1.5
119.03513	18.8
119.05003	10.5
120.98766	1.3
120.99646	21.8
121.02971	1.9
121.06622	1.1
122.03705	1.8
123.08140	4.3
125.02480	1.4
125.06068	3.3
129.01955	1.2
131.03468	1.8
134.03766	1.1
135.08185	1.7
136.05302	4.1
136.90303	0.6
137.06100	1.8
138.06865	23.4
139.07672	10.2
143.03519	3.7
149.04555	1.7
149.06052	0.8
151.07646	23.9
152.04767	2.5
152.08427	44.8
153.09210	100.0
154.09531	5.9
159.03003	3.7
161.04552	21.5
161.09770	0.9
162.04924	1.6
163.04007	14.9
163.11301	3.1
165.09200	2.5
166.06210	0.8
167.07133	2.2
171.11900	0.6
179.05594	5.4
181.08751	1.1
183.77576	0.6
187.11288	1.3
189.09203	1.8
190.09988	2.8
205.12318	29.7
206.12627	2.6
223.06114	0.9
223.13393	13.1
224.13779	1.6
229.12224	0.8
237.11194	1.1
277.10739	0.8
295.92975	0.7
315.11221	0.7
315.14313	3.9
325.12921	1.3
327.14465	2.0
343.14285	1.0
367.17584	1.2
385.11395	1.0
385.14276	1.2
385.18689	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2381
Annotation	Gerronemin A
Peak:m/z	Relative Intensity
59.01363	0.5
69.54536	1.6
80.52400	0.3
85.02938	1.8
117.30908	0.3
153.44931	0.2
161.55698	0.3
184.62994	0.3
283.97119	0.3
299.20197	0.9
334.67786	0.3
385.23816	100.0
386.24158	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	386.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98093	0.2
59.01367	0.3
60.14151	0.2
61.98831	100.0
71.51151	0.2
301.21710	4.2
302.22021	0.6
342.25491	0.3
386.19467	33.6
387.19861	5.5
387.25439	0.9
399.14639	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01908	0.9
57.03481	0.7
59.01377	9.0
61.98850	1.1
70.16704	1.7
70.17091	1.7
71.01389	7.0
71.05013	1.5
72.99305	1.4
73.02959	1.6
79.95749	3.0
83.05038	0.9
85.02958	2.7
87.00901	1.4
89.02460	3.1
95.01402	0.9
96.96021	5.6
97.02958	1.5
101.02455	2.6
107.05052	1.7
108.02174	1.0
109.02956	1.9
109.06669	0.8
110.73902	0.7
111.04514	1.2
113.02474	2.2
119.03494	1.0
119.05042	7.8
119.60995	0.9
120.99618	4.4
122.03729	10.9
123.04534	1.6
124.05324	1.8
127.07639	1.0
134.03694	1.0
135.04527	1.1
135.08157	1.0
136.05305	1.0
137.02484	0.9
137.06096	1.5
139.07706	0.9
147.48578	0.9
149.02422	1.7
149.06055	6.7
149.09726	1.2
150.06847	3.0
151.07646	2.9
153.09261	3.0
154.02785	0.7
161.06165	0.9
161.09741	2.4
162.06885	2.8
163.04008	9.0
163.07623	5.2
164.04694	2.3
164.08374	4.8
165.09235	3.0
168.98882	0.7
177.09142	1.3
178.08569	0.7
178.09993	13.7
179.10773	56.4
180.07924	5.5
180.11105	4.3
181.08701	5.4
190.06348	8.1
193.08783	2.3
205.08693	8.5
208.03891	2.2
214.85536	0.7
222.08980	21.2
223.06169	3.8
223.09740	100.0
224.10063	9.1
277.10922	1.0
291.19009	0.9
295.15573	1.7
297.11847	1.2
314.14810	1.0
325.16684	1.3
385.15143	48.9
386.15350	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	385.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77066	1.1
57.16319	1.3
59.01376	100.0
60.01694	1.8
71.01389	5.4
71.05019	2.0
73.02943	3.3
85.02946	3.3
86.03507	1.1
89.02433	3.0
91.65525	1.0
101.02409	2.6
101.06100	1.1
113.02422	3.1
120.67496	1.0
121.06560	2.2
148.05283	11.0
149.04500	4.3
149.05548	1.1
157.29218	1.1
161.04549	6.3
161.13376	9.9
163.07668	8.4
169.32120	1.0
179.14383	2.0
191.05615	5.5
253.14389	6.7
275.39053	1.3
343.20984	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1505
Annotation	Icariside H1
Peak:m/z	Relative Intensity
57.35879	1.0
59.01373	9.2
61.98829	1.4
70.60277	1.2
71.01385	7.1
71.05032	1.6
71.51114	1.6
71.51495	1.1
73.02949	3.0
79.95724	2.5
85.02974	2.5
87.00893	1.5
89.02450	2.5
93.03448	1.3
96.96008	6.5
97.02969	1.8
99.04528	1.1
101.02466	3.3
109.02945	2.1
111.04541	1.7
113.02469	2.5
118.98117	1.7
119.05029	4.9
120.99665	7.3
121.03019	1.2
122.03728	9.4
123.04554	2.0
124.05312	1.2
134.03653	1.6
135.04500	1.4
137.02521	1.9
137.06110	2.1
149.06050	5.8
150.06871	4.2
151.07629	3.7
152.00978	1.2
153.09251	3.1
161.06097	1.3
161.09785	3.9
162.06918	3.1
163.03972	9.5
163.07645	5.9
164.04848	2.8
164.08409	4.6
165.09201	3.2
168.15878	1.1
178.08498	1.7
178.09978	16.8
179.10771	63.0
180.07890	6.6
180.11194	3.2
181.08659	5.5
189.12712	1.5
190.06334	6.6
193.08719	3.5
205.08720	8.6
207.99973	1.5
208.03645	2.1
222.08977	20.9
223.06184	5.0
223.09747	100.0
224.10075	9.3
255.06990	1.3
297.11707	2.5
325.16620	2.1
373.91626	1.4
385.15134	48.1
386.04138	1.2
386.15338	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	38.1
60.01706	0.7
64.87358	0.5
71.01385	2.2
73.02946	1.1
83.05023	0.9
87.00883	1.8
89.02426	0.7
91.05497	0.6
101.02441	1.6
113.02444	1.0
119.08698	1.1
120.99658	100.0
122.00016	1.7
135.04520	1.3
136.99150	0.6
137.09743	0.7
149.04968	0.6
149.06099	3.9
162.06827	0.8
191.05600	0.8
245.11855	2.2
250.90372	0.5
253.10847	0.5
279.10495	0.7
297.11633	2.9
300.91104	0.5
324.72705	0.6
345.42480	0.6
385.13293	14.1
385.18329	0.7
386.13800	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	385.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66519	0.5
54.44525	0.6
55.60826	0.6
57.97966	0.6
59.01380	36.9
69.03458	0.6
70.77631	1.0
70.77939	1.0
71.01376	1.7
73.02947	2.1
83.01426	0.6
83.05013	0.7
85.02972	0.6
87.00880	1.7
101.02461	1.5
105.36026	0.6
112.32298	0.6
113.02457	0.7
120.99657	100.0
121.99966	2.0
149.06119	4.6
169.33067	0.7
206.49043	0.6
245.11909	2.1
297.11548	2.7
385.13263	15.0
386.13611	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	385.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18416	0.3
59.01383	4.3
62.61485	0.3
71.01389	1.1
71.52255	0.3
71.52637	0.5
72.35352	0.3
73.02916	0.4
74.82787	0.3
74.99099	3.2
85.02930	0.4
87.00859	0.5
89.02502	0.3
93.72762	0.3
96.96014	0.6
101.02403	0.6
114.93405	0.5
115.17421	0.3
115.40952	0.3
118.44673	0.3
120.99660	100.0
122.00050	2.1
135.00876	0.5
136.99165	1.9
137.09683	0.4
150.79170	0.3
163.00369	0.4
163.03998	0.5
174.01575	0.5
179.07143	0.6
190.99893	2.2
191.05611	0.6
192.00670	1.7
193.01419	0.3
196.98627	0.3
206.02219	2.9
207.02963	1.1
210.72243	0.3
253.14427	1.3
297.11743	2.7
298.11789	0.4
385.09445	0.5
385.13278	14.4
385.17624	0.5
386.13654	2.1
393.37170	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54245	0.4
57.03458	0.4
59.01379	3.3
69.03464	0.4
69.24487	0.8
69.24889	3.3
71.01350	0.5
73.02972	0.6
85.56684	0.3
95.05019	0.9
98.20665	0.7
101.67309	0.4
102.98555	0.5
120.99670	0.7
137.02536	0.3
137.06084	0.5
138.03238	0.8
149.06094	1.5
149.09760	0.5
151.99492	0.4
152.02998	0.3
153.09167	0.4
154.00955	9.9
155.01443	0.4
155.10649	0.5
160.05284	0.7
165.09189	0.8
166.08722	0.5
167.07140	0.6
173.04594	0.6
175.07658	1.3
176.78381	0.3
178.06340	0.4
180.02524	2.0
181.03175	1.0
182.04099	1.3
183.04816	1.3
191.05490	0.5
193.08670	1.2
194.04102	2.7
195.04858	0.5
195.78418	0.3
207.04796	0.5
208.05478	0.5
209.06400	10.2
210.06793	0.5
214.02893	0.4
221.06380	1.0
238.06712	0.8
239.07561	0.4
253.14583	1.8
269.14072	0.8
279.10507	2.2
280.10837	0.4
281.13931	9.1
282.14328	0.8
287.01852	0.4
297.11649	100.0
298.11978	11.1
299.13156	0.9
311.87546	0.4
325.20276	0.8
343.21228	2.5
344.21915	0.4
385.13251	4.4
385.22375	0.7
386.13788	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98827	31.1
63.19579	8.4
71.01385	40.5
71.51311	15.8
73.02928	12.5
85.02952	30.6
87.00873	10.9
89.02425	25.1
93.09011	10.8
96.96012	31.5
101.02445	38.8
104.00265	8.7
113.02431	21.5
119.03536	9.0
119.05005	33.4
120.99632	20.9
135.04555	16.2
137.02428	11.3
142.17284	9.6
149.02414	31.7
149.06068	20.0
150.06813	12.0
161.04607	14.1
161.05952	10.9
162.06879	21.7
163.03990	38.7
164.04729	27.2
166.93799	12.0
179.07080	22.9
179.10788	25.0
180.07831	20.1
181.04968	14.8
181.08725	14.3
191.05611	31.0
193.01357	11.4
205.12381	10.1
208.03738	24.4
222.08958	30.9
223.06104	61.0
223.09697	80.2
223.13318	32.6
277.10675	14.0
349.14957	24.2
385.07925	11.2
385.12418	44.1
385.19214	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	385.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20169	0.6
59.01377	4.9
67.72768	0.5
68.55003	0.7
69.03450	1.6
69.30036	3.8
69.30442	1.4
71.01385	0.8
71.04994	1.6
73.02966	0.7
79.95735	0.7
83.05024	1.2
84.22121	0.6
85.02956	1.1
88.30664	0.6
89.02438	1.1
91.05516	1.4
98.19811	1.2
101.06052	1.2
103.04083	0.6
120.99654	25.9
137.02441	1.9
148.05327	1.1
149.04546	4.4
149.06108	0.7
152.02998	0.7
153.00168	0.9
154.00958	5.0
161.13326	4.2
164.04976	0.6
167.01701	2.2
168.02480	0.6
168.99541	0.8
179.14417	1.5
181.03302	6.2
182.04085	12.8
183.04477	1.0
189.09175	2.2
191.05597	8.0
191.14325	0.8
192.28816	0.6
194.96982	0.6
205.06944	3.0
207.04814	0.8
209.15517	1.9
214.03040	2.6
222.07210	4.0
223.07951	5.0
239.07498	1.0
253.14418	9.0
254.14784	0.9
263.12997	0.8
267.10629	4.1
279.10553	2.2
297.11642	100.0
298.11945	11.1
301.05164	0.7
319.06558	1.6
385.13327	5.9
385.17664	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.093
Annotation	Cleomiscosin A
Peak:m/z	Relative Intensity
53.25569	0.7
59.01382	2.6
63.14026	0.7
66.21792	0.5
69.03460	1.4
71.01382	0.7
71.07422	0.8
71.07749	0.9
78.95920	2.3
79.01890	1.2
93.03477	2.5
107.01372	4.4
119.01377	1.7
120.02236	0.7
120.99648	1.3
122.95554	0.7
123.00895	2.6
135.00887	10.5
137.02449	2.7
145.40045	0.6
146.03729	5.4
147.00827	1.5
149.02460	0.7
150.03265	1.3
151.33856	0.6
160.83066	0.6
161.06108	1.7
162.03233	0.9
162.99010	1.4
163.00374	24.8
164.01079	2.6
164.04747	3.8
171.00630	1.2
175.00336	1.6
177.01955	0.8
177.05528	1.2
179.07141	17.8
180.07555	0.9
190.02620	0.7
190.99866	84.0
192.00632	78.7
193.01360	18.9
205.01408	1.8
206.02199	100.0
207.02963	53.3
208.03333	3.2
253.14487	1.5
291.02988	0.6
297.11459	1.1
308.64474	0.8
326.07852	0.9
343.21024	1.1
355.08170	1.0
370.07120	0.8
385.09250	26.7
386.09750	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	385.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93980	4.8
57.98149	4.4
58.00594	5.7
59.01381	100.0
61.98828	22.2
64.05526	4.2
65.05995	5.2
69.03439	4.5
69.38454	40.3
71.01385	46.0
72.88177	5.2
73.02930	7.8
81.03451	13.1
85.02960	17.2
87.00909	10.2
89.02449	66.1
93.03469	23.0
96.96019	7.8
101.02425	33.0
103.00381	4.7
106.69820	4.5
111.04602	5.0
111.99868	4.7
113.02455	20.2
114.05606	5.1
116.92836	6.1
119.03497	21.9
119.05042	9.7
119.81991	5.7
121.02969	8.6
121.47574	4.9
123.04543	10.7
123.77290	4.8
127.05149	5.5
135.04504	5.4
136.01700	5.8
143.03551	7.1
145.03285	14.0
149.02426	22.8
151.04057	8.3
151.07571	7.2
151.16415	5.2
152.01128	5.7
161.04601	10.6
161.06152	4.9
163.04048	16.3
164.04790	13.4
173.04514	23.8
179.05666	6.3
179.07169	11.1
180.07936	6.5
191.05627	50.4
193.01433	7.4
208.03720	10.1
211.06081	7.5
223.06146	50.4
277.10815	6.3
310.32700	5.1
341.14661	8.0
385.07361	7.7
385.11630	11.6
385.21100	7.4
386.11020	7.5
401.68427	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	383.2072
Annotation	Perseanol
Peak:m/z	Relative Intensity
55.80395	0.6
57.03421	0.9
58.00585	0.9
59.01377	9.7
61.98837	3.6
71.01386	2.9
71.51270	1.1
85.02937	1.2
87.04527	1.3
89.02454	1.7
93.03463	1.2
96.95968	0.9
100.12946	0.7
101.02448	2.4
103.76174	0.7
105.95763	0.7
113.02457	2.1
113.06076	2.4
119.05023	3.4
134.03651	0.8
134.04813	1.1
135.04517	1.8
137.02406	1.4
144.23827	0.7
149.06248	0.8
161.04616	0.9
163.03975	1.0
164.04741	1.0
177.01855	1.4
179.03514	1.8
179.07141	1.2
183.39471	0.8
185.02132	2.4
249.97668	0.8
277.10767	0.9
277.17978	0.8
307.19162	1.0
309.20911	1.4
323.17218	0.9
381.19083	1.4
383.20728	100.0
384.16357	1.2
384.21066	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	383.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26123	0.5
59.01369	1.4
64.47832	0.5
69.63386	2.6
83.20103	0.6
134.21552	0.5
141.38190	0.5
164.04762	0.7
247.36163	0.5
301.21710	100.0
302.22037	13.1
321.60794	0.6
383.22034	40.4
384.22372	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	384.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16034	5.7
59.01373	13.0
59.01963	4.9
61.98539	7.2
61.98827	100.0
62.34147	6.4
63.75800	5.7
71.52679	7.7
73.77746	4.6
74.76370	5.1
101.96718	5.3
141.59793	5.1
150.93896	5.2
164.32007	5.9
189.11183	5.2
251.28436	5.6
302.22168	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	383.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
60.00024	0.7
68.24107	0.7
69.40221	5.3
161.17540	0.7
163.04007	2.6
164.04788	100.0
165.05083	5.6
179.07133	85.1
180.07510	5.9
192.44160	0.7
295.10074	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	383.171
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60058	1.0
59.01381	22.8
69.03445	4.0
69.75292	6.6
71.01365	3.1
71.29151	1.5
73.02946	3.2
73.21464	1.1
83.81402	1.1
89.02445	9.1
99.04500	2.6
103.03990	1.6
121.06592	1.8
131.03484	3.6
142.79753	1.4
149.04555	41.8
161.13365	1.4
163.14964	3.5
164.04900	1.3
179.07014	1.4
189.12791	6.3
193.83406	1.4
206.69394	1.5
207.13890	76.3
208.14264	5.7
244.00510	1.4
251.12862	100.0
252.13239	11.3
287.61761	1.3
329.66708	1.4
361.13092	1.3
383.17081	20.5
384.17230	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	383.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.9
62.90093	0.8
69.03452	3.3
71.01386	2.5
73.02950	2.1
77.19633	0.8
80.02689	1.4
87.00885	1.2
89.02443	12.7
99.04517	5.2
103.04002	3.2
107.05031	1.0
109.06585	2.1
120.96837	0.8
121.06605	3.5
131.03508	2.2
149.04559	45.4
150.04930	2.0
163.14905	2.3
164.04820	1.5
173.52075	1.0
179.07155	1.1
189.12881	12.2
203.34782	0.9
207.13895	35.4
208.14313	2.3
233.11862	5.6
251.12874	100.0
252.13176	9.1
383.17038	15.5
384.17508	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	383.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01716	1.4
69.03450	0.7
69.13894	0.4
70.80475	0.7
70.80807	0.7
74.13938	0.6
93.03448	4.9
100.59150	0.5
105.98235	0.6
124.04657	0.5
137.02440	10.1
163.14957	0.6
164.04791	1.1
171.87578	0.5
178.06209	0.6
179.07045	1.0
207.13899	16.1
208.14232	1.0
225.56354	0.5
251.12871	5.7
281.06625	3.3
323.18518	0.7
338.95731	0.6
368.81500	0.5
383.17215	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	383.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.4
69.63570	1.5
69.63985	1.1
71.01379	0.7
76.05525	0.4
76.26910	0.4
82.74893	0.4
85.02926	0.7
85.19368	0.4
96.96010	1.7
97.02937	2.2
97.03956	0.4
120.99656	34.5
122.00005	0.9
127.29298	0.4
135.04477	0.6
137.02419	0.9
145.02916	0.6
156.45961	0.5
161.06104	0.7
162.03223	3.1
163.04018	4.5
164.04788	100.0
165.05133	6.5
173.29213	0.5
177.05563	6.2
178.06311	2.8
179.07130	87.4
180.07451	7.1
189.05629	0.8
221.08156	5.4
241.96921	0.4
245.08211	1.4
323.11349	9.2
323.14932	0.8
324.11719	0.9
341.12390	5.6
342.12802	0.8
383.12344	1.2
383.17401	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	383.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27511	0.5
69.68867	2.4
74.34792	0.4
97.09319	0.4
98.20625	0.8
137.02437	1.2
159.36913	0.4
163.03969	1.1
164.04787	81.1
165.05115	4.9
176.38326	0.4
179.07129	100.0
180.07486	6.1
219.59990	0.5
232.77158	0.5
238.28436	0.4
242.11931	0.4
383.13257	0.8
394.97977	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2959
Annotation	N-oleoyl threonine
Peak:m/z	Relative Intensity
50.70551	1.7
54.43343	1.9
59.01379	100.0
70.02502	7.8
71.01418	2.5
88.87615	1.8
98.20633	3.2
98.80280	1.9
108.02946	2.0
109.54847	2.0
110.13708	1.7
151.77473	2.1
152.99461	2.5
153.40800	1.9
182.03078	2.2
254.77991	2.1
320.30365	5.5
338.31451	64.1
339.31796	4.7
382.30380	24.5
383.31076	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	383.062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.4
57.03436	0.5
59.01376	7.9
61.98828	1.9
65.00315	0.5
71.01376	4.4
71.51019	0.4
71.51369	0.4
72.99296	0.4
73.02934	1.5
75.00816	0.4
77.03978	2.0
79.95722	0.6
80.96501	1.2
83.01385	0.6
85.02953	1.6
87.00865	0.5
89.02448	1.8
93.03458	1.8
94.48767	0.4
95.01395	0.6
95.05035	2.7
96.96016	2.1
101.02432	3.1
105.03456	1.3
107.05049	0.7
108.62710	0.4
109.06623	0.6
113.02455	1.9
114.96870	0.4
119.03532	1.0
119.05044	0.6
121.02969	0.6
121.06573	0.4
123.04528	8.3
125.02409	0.4
128.86636	0.4
132.02164	1.5
133.02962	35.0
134.03320	1.5
135.04536	3.4
137.02451	2.8
151.04013	1.3
151.07652	0.9
159.06456	0.5
159.20523	0.4
161.04549	1.3
163.04051	0.5
163.07657	0.8
164.04878	0.5
173.04599	0.7
176.08437	0.6
177.01926	100.0
178.02280	6.2
178.05090	1.2
179.03500	3.5
191.05473	1.0
221.08138	0.7
221.11841	1.0
323.17044	1.6
341.10880	0.4
383.05621	0.4
383.13416	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31689	0.3
59.01378	6.5
63.21209	0.3
81.03503	0.5
81.52192	0.4
91.52314	0.3
92.35467	0.4
98.19855	0.6
125.02460	0.4
152.99619	0.8
282.56088	0.4
319.30002	11.9
320.30405	1.8
328.86078	0.4
335.29568	1.0
337.31104	100.0
338.31467	17.0
338.35709	0.5
345.28232	0.6
357.89890	0.4
363.28973	3.4
364.29340	0.8
381.30045	44.8
382.30350	7.6
387.30307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1004
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
59.01384	3.5
61.98819	2.7
63.06490	0.4
70.00890	2.1
71.01382	9.4
71.30873	0.4
80.96472	0.6
85.02944	0.5
86.99631	0.4
88.84959	0.4
89.02438	1.3
92.02574	0.6
96.96031	0.9
101.02407	1.0
107.03613	3.3
113.02452	0.9
113.06133	0.6
114.99565	0.7
115.00372	13.9
116.76302	0.5
119.03575	1.4
119.05040	1.1
119.54307	0.5
133.03934	0.9
134.04726	100.0
135.04276	0.7
135.05069	1.9
135.06728	1.0
142.37080	0.5
162.07849	9.1
163.03983	0.9
164.04738	0.7
177.02054	0.5
179.03464	1.1
179.05513	0.5
185.02208	0.7
188.05806	1.1
191.05580	0.6
206.06830	30.4
207.07011	1.5
232.04680	0.7
250.05809	3.7
266.08868	5.1
290.01401	0.5
382.10013	26.4
383.10260	2.8
383.20789	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	381.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28801	2.0
57.03471	1.8
59.01379	100.0
61.98836	17.5
69.71878	3.7
69.72285	10.0
71.01389	5.2
72.70395	1.7
83.05016	2.5
85.02987	3.0
94.98016	1.8
97.37402	2.1
101.01432	2.0
101.02434	2.9
119.08714	2.0
126.31103	1.9
132.67654	1.9
215.59743	1.9
250.53648	1.9
255.03108	2.1
292.58075	2.1
381.24329	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	381.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01687	2.0
61.44057	1.8
70.18784	5.0
70.19193	4.3
98.19911	1.9
101.02477	1.9
102.67962	1.7
106.86215	1.9
113.75079	1.9
117.03442	6.5
147.90208	2.1
150.33900	1.9
163.11299	3.1
179.14809	1.9
381.09116	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	381.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
60.79836	0.9
63.28727	0.8
70.54335	3.0
78.29013	0.8
78.95910	1.8
100.41335	0.8
105.67715	0.9
107.76601	0.8
108.64517	0.8
151.11192	1.0
152.99574	5.1
153.12854	1.7
163.11288	2.1
165.12823	3.2
170.05783	2.6
179.10762	12.3
181.12338	39.3
182.12668	2.6
195.10307	2.2
197.11813	3.4
199.13391	100.0
200.13718	7.6
215.12868	2.0
363.25485	5.3
381.11313	1.5
381.26376	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	381.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.3
60.91566	0.8
71.52686	1.0
78.95911	8.3
91.13314	0.8
109.06637	1.2
151.07602	0.8
152.99571	11.9
158.79636	0.7
170.05820	4.2
171.00745	1.0
181.12331	1.1
192.11557	1.0
199.13388	2.8
220.32573	1.1
233.19040	1.7
235.20651	2.2
251.20197	2.2
261.18930	0.9
273.54819	0.9
277.18063	82.6
278.18442	10.5
279.19650	25.1
280.19980	2.1
295.19119	100.0
296.19489	10.8
345.24506	1.1
363.25394	16.7
364.25772	3.1
381.26389	5.6
382.26663	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	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01690	1.6
69.37285	6.2
70.23342	0.7
71.01386	1.7
80.96498	1.9
85.02939	0.8
89.02461	0.9
96.96012	3.6
98.20598	1.4
101.02468	1.5
101.19986	0.8
104.52935	0.9
113.02413	1.0
120.99662	3.0
122.99256	2.3
143.03528	0.8
152.99629	1.7
161.06033	1.2
163.88144	0.8
164.04805	1.8
179.07130	1.1
196.02078	1.5
201.07607	0.7
201.09128	4.4
211.04343	1.1
213.03928	1.4
215.04324	0.8
219.10248	13.9
220.10478	2.1
249.11296	3.5
345.15494	1.9
381.01410	3.0
381.15851	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	381.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55866	1.7
55.01870	4.0
57.03440	3.6
58.00593	2.9
59.01378	85.7
60.01707	1.8
61.13889	1.5
61.98833	8.3
69.19692	7.1
69.20111	10.7
71.01382	100.0
72.99300	5.2
73.02943	17.5
75.00839	1.7
83.01396	8.0
85.02947	30.9
87.00880	4.0
89.02442	62.5
95.01377	6.7
96.32304	1.6
98.20679	3.9
99.00859	8.8
101.02441	59.3
101.75924	2.0
109.13777	1.7
113.02448	35.2
113.43710	2.0
119.03510	20.4
131.03535	2.6
133.59865	1.9
143.03516	5.3
159.02982	5.9
161.04533	27.5
163.00302	2.0
255.02948	5.2
283.02579	3.3
284.58072	1.8
318.21042	1.7
381.09671	7.4
381.17093	2.1
381.22964	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	381.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07895	0.9
50.33471	0.9
50.52753	1.0
55.01869	4.8
57.03437	3.7
58.00586	4.6
58.42302	1.0
59.01378	90.9
61.98816	4.6
71.01381	100.0
71.53741	2.1
71.64933	1.0
72.01701	2.9
72.99317	6.2
73.02937	17.3
75.00875	2.0
79.89198	1.3
80.50184	1.0
83.01392	9.6
83.11221	1.0
85.02949	33.2
86.03304	1.3
87.00874	4.0
89.02444	54.2
89.17455	1.1
95.01376	8.0
97.02962	2.0
99.00873	10.1
101.02442	57.8
113.02451	44.1
113.03020	0.7
119.03502	21.8
125.02423	2.4
131.03484	2.1
143.03494	5.2
149.04538	1.1
149.18513	1.0
159.03014	5.3
161.03261	1.8
161.04555	29.1
162.54053	1.0
179.05574	1.8
197.30890	1.0
255.02975	3.0
381.09744	2.2
381.23276	5.0
382.23767	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	381.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71822	1.5
57.03431	4.1
57.33408	1.5
59.01381	8.5
68.06440	1.7
68.99790	1.8
69.03449	6.5
71.01379	20.1
71.52465	3.1
73.02952	9.8
77.28119	1.7
83.01391	1.7
83.05025	3.1
85.02946	6.5
86.00112	3.0
86.63265	1.5
87.00874	2.2
89.02431	18.0
95.01397	1.7
96.95993	7.2
97.02943	3.0
99.04521	21.1
100.04836	10.0
101.04955	4.0
101.06070	3.3
103.04005	4.2
110.52163	1.6
113.02431	6.1
113.06044	3.1
125.02413	6.1
131.03493	3.8
143.03490	3.4
149.04546	100.0
150.04926	2.0
161.13353	87.6
162.13678	7.7
187.11267	2.6
205.12329	49.7
206.12691	4.8
247.86726	1.5
249.11288	17.5
249.14925	5.9
251.11891	1.6
255.02844	2.2
298.73145	1.7
317.37314	1.7
381.09720	6.8
381.15536	17.1
381.23019	13.8
382.15857	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	381.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40116	0.3
69.07150	0.3
69.46500	0.3
71.01378	1.1
75.02572	0.3
83.05021	4.2
84.55032	0.3
84.89951	0.3
85.02953	0.6
88.96124	0.3
90.36343	0.3
96.96024	0.5
101.06077	1.7
121.02937	1.0
126.45614	0.3
137.84575	0.3
173.13327	1.3
235.13449	1.4
240.38126	0.3
243.17491	1.0
245.19078	2.5
246.19342	0.4
249.14943	2.7
250.15268	0.4
273.18439	0.3
275.20251	2.4
276.20447	0.4
289.18134	0.5
291.19608	0.8
319.19125	100.0
320.19470	13.2
349.20358	0.8
369.22702	0.4
381.22815	15.9
382.23248	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	381.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48178	1.0
53.10001	1.0
54.01438	1.1
59.01371	2.6
59.96781	1.3
61.98825	1.3
69.03453	2.2
69.48114	8.1
71.01379	4.3
73.02942	4.8
81.33488	1.2
83.05008	1.2
87.00906	1.7
89.02447	16.9
98.19910	2.1
99.04525	2.0
103.03365	1.1
103.03990	5.4
131.03543	1.6
148.79207	1.2
149.04556	100.0
150.04912	2.8
161.13364	48.4
162.13687	3.8
162.44814	1.1
187.11349	1.6
201.40602	1.2
205.12331	36.4
206.12727	2.0
208.23515	1.2
249.11330	14.3
249.15067	2.4
250.11916	1.4
381.09973	1.4
381.15430	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	381.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48743	1.2
57.03452	2.3
57.43325	1.2
59.01379	5.6
60.17874	1.1
64.68212	1.0
69.89133	1.1
71.01381	2.6
71.52335	1.7
71.52699	1.3
76.73169	1.2
79.95728	1.3
85.02951	100.0
86.03280	3.1
87.04509	2.3
91.31026	1.3
92.98507	1.2
95.05011	1.7
96.95390	2.5
96.96015	50.7
103.77805	1.1
107.05042	1.2
107.08635	2.1
123.04503	9.2
132.03061	1.3
147.08127	2.4
149.09697	4.8
159.08098	1.6
159.54321	1.1
161.09715	2.8
164.04726	1.5
185.09694	8.4
191.07106	2.9
193.08710	10.8
203.10748	4.1
205.08698	3.4
219.10248	8.8
229.08754	1.9
247.09789	8.3
249.11380	2.1
265.10861	12.1
266.11108	1.5
268.72937	1.5
277.10754	2.1
294.04147	1.2
301.20151	2.1
319.15625	2.0
381.11279	2.6
381.15549	27.8
381.19376	5.1
382.15887	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	381.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.1
58.00589	1.5
59.01381	22.1
68.99821	1.9
69.03491	1.3
71.01383	19.0
71.51550	1.4
72.99316	6.6
73.02948	2.3
75.00871	35.2
79.71797	1.0
80.96548	1.0
83.01385	1.4
85.02947	17.2
86.03271	0.9
86.35744	0.8
87.00884	7.9
89.02448	6.3
93.03423	0.8
95.01395	5.9
96.96003	1.9
97.02960	1.1
99.00888	11.9
101.02465	1.8
103.00370	2.2
111.00885	1.1
113.02450	25.4
114.02721	0.9
115.00379	1.8
115.86668	0.8
117.01942	2.7
126.74907	0.8
129.01964	1.4
130.08693	0.8
131.07143	100.0
132.07491	4.2
147.04539	0.8
149.04514	2.1
154.96199	0.8
164.07224	1.9
175.02513	2.6
177.01933	2.1
188.98433	1.0
191.05634	1.7
201.11327	1.8
203.34424	0.8
206.08235	2.8
231.05045	4.6
249.06148	51.8
250.06479	3.4
319.19443	0.8
336.18591	0.8
337.20020	1.2
363.12637	1.7
381.14014	53.1
381.18732	6.4
382.14392	6.3
382.18756	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.2
60.97497	1.4
61.98826	2.3
63.41370	1.3
67.77598	1.3
69.30478	12.0
69.85092	1.3
74.07597	1.3
74.99072	27.0
74.99464	2.0
75.96227	2.6
91.02209	39.3
93.00127	11.3
103.17072	1.2
135.48833	1.5
142.60999	1.3
143.05365	1.5
152.99577	2.0
153.08597	1.3
159.08464	100.0
160.08713	4.3
161.06386	9.9
161.15837	1.3
161.73264	1.5
261.77292	1.6
299.20157	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	381.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	5.0
59.01384	13.3
69.03454	9.3
69.74032	3.4
69.74448	7.6
71.01379	22.7
72.07336	1.9
73.02944	11.4
81.07086	2.1
83.05017	6.0
85.02961	16.6
87.00882	4.6
87.04535	4.2
89.02431	22.4
95.01382	4.4
96.22805	1.9
99.00771	3.2
99.04529	17.8
100.04875	7.7
101.02436	6.7
101.04994	2.5
101.06071	2.0
103.04031	5.3
113.02453	19.1
127.07629	2.3
131.03491	7.1
143.03546	2.1
145.02887	2.5
149.04553	94.3
149.42935	1.9
161.13347	67.8
162.13684	5.8
163.03978	8.0
171.02719	3.0
178.06400	9.9
181.12323	2.9
183.13885	3.8
187.11292	3.0
187.88370	2.5
191.24724	2.1
201.09044	2.9
203.10556	5.6
205.12325	69.7
206.12616	6.5
221.11450	3.9
223.13141	37.5
224.13411	3.0
233.07953	2.4
235.09468	7.2
237.11099	15.1
238.11346	2.5
249.11182	100.0
250.11502	12.3
251.11923	4.0
267.12192	15.0
293.17548	2.6
381.15329	58.3
381.20023	3.4
382.15714	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	381.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48743	1.2
57.03452	2.3
57.43325	1.2
59.01379	5.6
60.17874	1.1
64.68212	1.0
69.89133	1.1
71.01381	2.6
71.52335	1.7
71.52699	1.3
76.73169	1.2
79.95728	1.3
85.02951	100.0
86.03280	3.1
87.04509	2.3
91.31026	1.3
92.98507	1.2
95.05011	1.7
96.95390	2.5
96.96015	50.7
103.77805	1.1
107.05042	1.2
107.08635	2.1
123.04503	9.2
132.03061	1.3
147.08127	2.4
149.09697	4.8
159.08098	1.6
159.54321	1.1
161.09715	2.8
164.04726	1.5
185.09694	8.4
191.07106	2.9
193.08710	10.8
203.10748	4.1
205.08698	3.4
219.10248	8.8
229.08754	1.9
247.09789	8.3
249.11380	2.1
265.10861	12.1
266.11108	1.5
268.72937	1.5
277.10754	2.1
294.04147	1.2
301.20151	2.1
319.15625	2.0
381.11279	2.6
381.15549	27.8
381.19376	5.1
382.15887	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	381.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98820	39.6
69.92416	58.7
70.49598	10.5
71.01371	42.1
84.02459	10.6
89.02438	45.6
96.95995	11.3
101.02417	29.6
113.02435	18.4
119.03423	15.7
177.01895	33.4
179.05579	18.1
191.05347	16.3
199.00696	12.6
219.01344	25.2
260.96848	13.9
317.15244	16.1
324.65039	15.9
343.10876	59.3
345.10526	15.6
381.08203	94.5
381.17773	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	381.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	9.0
60.00728	0.2
61.98823	0.9
69.50850	0.7
69.51266	0.6
71.01385	0.5
72.16093	0.2
78.73836	0.2
80.96526	0.4
81.03460	0.3
89.02473	0.2
89.03956	2.1
89.39437	0.2
93.03428	0.3
95.05044	0.3
96.96048	0.2
101.02448	0.2
104.02670	0.7
105.03459	3.6
105.04109	0.3
106.03803	0.2
121.02964	0.3
133.02954	9.3
134.03285	0.6
148.01660	0.6
149.02411	1.0
164.03622	0.2
176.01134	2.0
177.01920	100.0
178.02274	5.5
219.06612	0.3
267.87970	0.2
273.05664	0.2
279.14386	0.4
309.11618	0.3
321.06183	0.2
326.86218	0.2
381.08224	6.9
381.15900	0.3
382.08615	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35369	0.2
57.11809	0.2
59.01380	8.0
69.78348	0.7
69.78753	0.4
71.01392	1.0
73.02969	0.2
75.00878	0.2
80.96525	0.3
83.01387	0.3
85.02980	0.4
87.00872	0.2
89.02435	0.6
93.03458	1.2
95.05047	0.4
96.96022	0.4
101.02446	0.4
101.06124	0.3
105.03445	1.3
108.02173	1.4
113.02468	0.3
113.55915	0.2
118.84166	0.2
120.02173	0.7
121.02195	0.2
121.02897	1.2
123.04517	1.3
123.27439	0.2
129.09201	0.6
131.07143	0.3
132.02220	0.5
133.02977	2.9
139.11307	0.3
147.04579	0.4
148.00674	0.2
148.01662	1.1
149.02454	2.3
150.98607	0.2
153.28018	0.2
164.07173	0.4
175.98830	0.3
176.01146	9.9
177.01923	100.0
178.02263	6.4
191.03564	0.3
191.05536	0.3
199.16998	0.2
201.11324	1.2
206.08188	0.4
219.02974	0.6
279.50058	0.2
321.06183	2.0
322.06470	0.4
339.07300	0.6
363.16690	0.7
381.08240	12.9
381.17737	2.6
382.08508	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	379.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13543	1.4
53.34888	1.3
57.03438	3.7
59.01377	2.3
62.75754	1.2
70.07522	5.4
74.08376	1.2
99.04531	1.9
104.61370	1.3
108.92633	1.3
112.94289	1.2
125.13462	1.3
158.16536	1.5
174.36763	1.3
211.20639	3.6
289.29080	5.6
305.28558	2.6
319.30008	16.9
320.30420	2.4
333.31479	10.9
334.78732	1.3
335.25992	2.0
335.33026	7.7
352.49338	1.4
379.32178	100.0
380.16095	1.4
380.32556	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	381.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58173	0.6
59.01382	1.2
61.98827	9.3
63.02393	3.6
64.69079	0.6
65.00320	5.2
71.01378	0.6
71.53602	1.3
83.01373	3.7
96.95984	3.8
107.01383	11.5
108.02204	3.6
123.00850	0.7
123.04537	2.5
125.02398	0.9
128.79822	0.5
134.03738	16.1
135.04024	0.6
136.01677	3.2
149.06073	13.8
150.06410	0.6
151.00360	38.7
152.00711	2.1
164.01134	5.5
165.01894	1.8
169.01408	1.2
174.03290	0.8
177.01938	5.1
196.00111	2.3
199.03970	1.0
201.01938	0.8
239.85956	0.5
286.04831	2.2
301.07153	100.0
302.07492	11.7
302.10727	1.0
319.16608	0.9
381.02780	14.3
381.11319	1.0
381.19403	0.8
382.03140	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2854
Annotation	Persin
Peak:m/z	Relative Intensity
50.06827	0.7
56.31739	0.6
57.03443	1.8
59.01392	1.0
62.88665	0.7
68.18598	0.8
68.73728	0.7
69.03452	0.8
74.76672	0.7
83.05003	1.3
97.79632	0.7
98.19871	1.9
99.04501	2.7
99.19818	0.7
103.16797	0.7
163.11301	0.8
251.23888	1.5
254.45406	0.8
267.26932	1.7
291.26917	2.9
293.24829	1.7
295.26395	6.5
296.26874	1.2
307.30191	1.0
319.26352	2.4
333.28091	1.8
335.29544	34.6
336.29877	6.3
337.27466	6.1
379.28543	100.0
380.28870	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	379.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.4
57.42069	1.0
59.01361	1.3
70.99664	2.4
74.89494	1.1
83.01399	1.1
93.44971	1.5
99.04510	2.7
104.55510	1.1
107.82085	1.0
125.02433	2.9
263.97726	1.0
264.82089	1.1
267.27094	1.1
293.24609	1.5
295.26440	6.2
297.24438	1.6
305.28412	1.4
307.30057	3.3
317.28717	2.0
333.27841	1.8
335.26077	1.9
335.29532	31.3
336.29788	6.2
337.27420	5.6
379.28540	100.0
380.24567	1.5
380.28918	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	379.2488
Annotation	CHEBI:66714
Peak:m/z	Relative Intensity
55.09122	4.3
59.01376	33.1
61.98838	6.0
71.01348	4.1
71.52711	4.6
85.02962	5.3
89.49795	3.9
99.04534	7.1
135.27576	3.9
182.20601	3.6
231.56712	4.3
250.37756	4.0
289.18057	11.2
319.22812	56.6
320.23114	7.1
361.23898	6.2
379.18298	100.0
379.23596	6.0
379.24893	4.8
380.18652	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	379.2491
Annotation	Cordobic acid 18-acetate
Peak:m/z	Relative Intensity
59.01379	100.0
61.65943	3.8
71.52785	6.1
74.84536	3.9
77.33547	4.2
79.61944	4.7
83.01411	6.3
96.30054	4.0
99.04527	19.1
154.29628	3.8
161.99925	4.9
216.11337	4.8
251.23805	8.5
265.22012	4.8
289.17935	5.9
293.24796	18.3
303.19827	5.6
335.25845	27.0
336.26401	5.7
343.19113	5.1
345.06760	5.0
379.21121	7.8
379.24924	51.1
380.25150	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	379.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57709	0.4
59.01379	0.8
61.98829	0.7
71.52169	0.4
94.37286	0.4
99.04523	1.2
119.86080	0.4
219.06398	0.4
293.24814	0.6
317.28522	1.3
335.29535	100.0
336.29886	13.5
343.26410	1.4
361.28204	0.4
367.77667	0.4
379.28650	10.0
380.28799	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	379.2852
Annotation	Persin
Peak:m/z	Relative Intensity
57.03448	26.2
59.01371	1.2
67.04929	1.0
69.40791	1.9
69.41193	6.4
81.03457	77.9
82.03797	2.6
83.01385	7.4
91.54727	0.9
98.19869	1.8
125.02446	26.4
126.02772	1.2
150.70209	1.0
174.51683	1.0
185.51144	1.2
293.28476	1.2
335.29562	1.7
337.27411	1.1
341.24863	1.5
379.28519	100.0
380.28821	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	379.2489
Annotation	Sartol acetate B
Peak:m/z	Relative Intensity
50.60708	0.5
57.03447	4.2
59.01376	2.4
62.05564	0.5
62.22282	0.5
63.25960	0.5
64.28490	0.5
70.26707	1.6
74.84225	0.5
83.01392	9.0
84.01697	0.5
85.76583	0.5
116.99860	0.5
151.99315	0.5
152.65852	0.6
200.33716	0.6
226.16290	0.6
251.23782	20.8
252.24117	2.3
265.21652	4.3
275.23807	2.1
277.21655	3.1
291.23947	0.9
291.26889	4.5
293.24854	46.8
294.25180	5.7
295.22824	0.9
307.26666	1.2
311.25870	9.3
312.26254	0.7
317.24872	3.0
335.25931	59.4
335.29507	5.2
336.26297	9.1
336.30099	1.0
379.24884	100.0
380.25238	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	379.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01720	0.8
60.55491	0.5
66.89024	0.5
69.51109	0.9
69.51514	2.4
77.41520	0.5
78.25121	0.5
79.83691	0.5
81.14468	0.5
85.62691	0.5
87.03393	0.5
92.19365	0.6
92.99241	0.6
96.96015	1.0
99.04523	2.5
101.06110	0.5
102.37178	0.5
110.00007	0.5
130.07590	0.5
135.25874	0.6
180.38831	0.5
222.86993	0.5
379.21417	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	20.9
69.54357	11.5
97.40314	1.6
99.04498	7.9
100.98595	1.6
101.06081	100.0
112.20193	1.6
121.06520	2.5
130.04262	1.8
133.06587	3.7
145.06578	8.1
157.06557	7.3
158.07222	2.7
159.11703	2.3
161.09695	4.0
171.08099	3.8
172.08945	2.7
173.09709	14.0
185.06044	3.4
185.09723	3.6
197.09659	7.8
199.07690	2.1
203.10797	23.1
204.07956	3.0
215.10748	60.3
216.10991	8.8
233.11824	47.3
234.12036	2.0
247.09639	4.2
247.13341	2.2
259.09784	10.1
277.10745	6.5
301.04587	1.8
335.98624	1.6
400.69910	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	379.2122
Annotation	2-Hydroxy-4-methoxy-6-(13-hydroxy-2-oxotridecyl)benzoic acid
Peak:m/z	Relative Intensity
50.67232	1.5
59.01378	24.7
69.87328	9.1
79.17860	1.7
81.51774	1.6
87.00876	2.6
90.98008	1.6
99.04517	25.9
101.06081	6.7
122.36203	1.7
135.04529	2.6
138.65436	1.6
148.05388	2.5
149.06100	4.3
157.12299	3.7
163.07649	1.6
164.08429	8.7
173.06073	1.7
175.07607	3.3
176.04408	1.6
176.08430	3.8
189.09203	2.2
190.09985	8.3
191.10764	18.0
192.07895	4.6
202.10020	2.2
203.10762	4.1
204.11412	5.0
215.10712	5.3
217.12303	17.2
218.13043	5.0
218.85139	1.7
230.13170	4.7
233.11821	3.7
233.15431	39.8
234.15871	3.0
243.13916	3.3
244.14685	3.1
247.13261	2.3
248.14105	7.6
258.16061	1.9
259.17029	60.8
260.17374	5.9
261.15021	7.0
273.18707	2.4
276.13828	2.3
276.17334	5.0
291.19629	11.9
292.19958	2.2
293.38138	2.0
299.20114	4.1
301.18057	3.0
302.18616	3.1
304.16678	2.9
317.21185	100.0
318.21466	13.1
319.19122	84.6
320.19403	10.2
335.22363	2.7
347.15128	2.0
361.20038	2.8
379.21243	82.3
380.21729	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	379.1609
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.43164	1.1
55.01887	1.3
58.00584	1.7
59.01379	100.0
60.01711	1.8
61.98815	2.1
70.85226	3.1
71.01009	2.3
71.01379	28.1
72.99297	2.4
73.02941	2.1
79.95729	5.2
80.96523	4.6
82.96099	1.1
83.05014	3.5
85.02960	6.8
89.02439	23.6
96.95988	3.4
99.00857	2.6
101.02440	13.9
105.67028	1.2
113.02451	8.8
119.03497	9.1
131.03485	3.9
137.09734	9.2
149.04539	2.6
155.10764	28.0
156.11119	1.8
161.04581	2.8
168.98824	2.5
175.03996	1.9
179.05676	1.2
181.08720	3.9
195.06454	1.3
199.09755	39.0
200.10048	3.6
217.10771	7.3
277.12885	4.5
285.08762	1.8
319.13968	2.0
335.11884	1.4
379.10803	5.1
379.16022	79.1
380.16528	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	379.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58924	0.9
56.32656	0.9
57.03429	1.4
58.00577	3.1
59.01380	68.0
61.34434	0.8
62.23414	0.8
71.01382	34.7
71.28432	1.8
72.99302	2.3
73.02950	1.1
80.96480	1.3
82.92788	1.0
83.01390	1.8
83.05016	4.1
85.02949	7.8
87.00877	1.2
89.02442	27.6
95.01366	2.5
99.00879	2.4
101.02435	21.9
102.02785	1.0
103.05862	0.9
113.02453	11.6
119.03503	11.5
131.03543	2.5
137.09721	10.7
149.04478	1.7
152.03203	1.0
155.10780	36.2
156.11102	2.0
157.01395	2.0
175.04005	1.4
176.59441	1.1
181.08612	5.6
199.09744	63.9
200.10106	4.6
217.10805	6.8
218.11143	1.1
261.10953	0.8
271.58032	0.8
274.83133	0.9
307.08121	2.2
361.14810	1.5
379.16052	100.0
380.16449	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	379.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24768	0.3
52.87389	0.3
57.03441	0.8
59.01377	0.7
69.03465	0.4
69.60046	1.7
89.02489	0.5
97.02966	0.8
98.20619	0.7
99.04519	100.0
100.04848	3.5
104.23402	0.3
104.48183	0.3
116.13917	0.4
116.38400	0.4
123.04517	1.2
137.38942	0.3
147.08199	0.5
149.04558	1.7
159.11761	1.7
187.11317	0.7
199.07590	0.4
199.11263	1.6
203.10794	1.4
205.12347	0.9
217.12367	1.2
231.10356	0.6
233.45490	0.3
243.10292	0.8
247.09746	0.9
249.09013	1.5
249.11699	1.8
258.89944	0.3
261.11307	1.8
379.16968	0.6
379.21176	0.4
383.18921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79015	0.9
57.03457	6.5
59.01368	1.5
67.02900	1.0
69.03503	1.1
69.99954	3.5
72.90656	1.0
79.05525	2.0
85.50510	0.9
97.02959	1.2
98.20656	1.1
99.04516	100.0
100.04848	4.3
101.52411	1.0
107.05000	1.5
107.08682	1.0
108.60042	0.9
109.50780	1.1
121.06673	1.1
122.03707	1.4
135.08142	4.0
147.08171	1.6
149.04494	1.9
159.08165	1.0
159.11758	1.7
163.11360	1.7
169.10158	1.3
187.11301	10.9
188.11595	1.8
203.10774	1.7
205.12343	11.3
231.10271	6.0
249.11308	40.8
250.11548	2.9
317.21133	1.3
319.19135	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	379.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95842	1.3
56.98009	1.3
59.01376	20.9
59.95567	1.6
69.03454	4.9
70.27073	1.3
70.27406	5.5
71.01370	3.3
73.02942	3.4
76.71176	1.3
79.05537	6.9
81.03436	2.3
81.54635	1.4
85.02931	1.9
89.02457	9.6
93.03427	2.3
96.95995	2.2
97.02926	2.7
99.04525	11.5
101.06082	1.9
103.04044	1.6
111.04533	2.8
121.06609	3.1
125.00670	1.4
129.07130	3.1
131.03510	3.0
133.06606	2.7
143.08649	4.7
143.22195	1.5
149.04564	37.8
149.05722	1.3
150.04942	1.4
157.10287	1.6
159.08093	1.5
159.10464	2.4
159.11790	48.3
160.12119	3.3
162.99422	1.6
187.11282	3.3
201.12723	1.6
203.09319	1.3
203.10774	44.8
203.14386	50.8
204.11133	3.3
204.14706	4.7
217.12227	1.6
247.09691	37.3
247.13341	100.0
248.10069	3.5
248.13675	9.7
261.11322	2.2
379.13599	4.4
379.17490	7.5
379.21387	4.4
400.16360	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	379.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72265	0.8
58.83461	0.8
67.26028	0.8
70.32852	3.1
79.95736	1.5
80.45998	0.9
84.62729	0.8
120.99658	100.0
121.99973	2.0
135.04480	1.0
163.03989	1.7
164.04802	44.1
165.05089	2.9
179.07143	40.3
180.07405	2.3
180.99654	61.0
181.99883	2.7
190.88072	0.9
194.00435	1.0
195.01198	2.5
196.01991	65.6
197.02391	4.0
209.02832	2.0
211.04347	59.5
212.04761	4.8
222.03604	1.1
235.75099	0.9
237.05945	1.5
299.05930	27.5
299.09244	1.7
300.06174	2.9
379.01590	58.2
380.01740	5.5
383.29697	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55150	1.7
54.44032	1.9
54.63128	2.1
57.03441	2.6
59.01360	6.0
69.27245	15.5
73.02938	3.8
80.77719	1.8
80.87106	1.5
85.02948	100.0
87.65248	1.7
93.03452	2.5
95.05016	6.6
96.96008	2.8
99.04505	5.4
101.64735	1.8
101.71291	1.6
105.07108	1.7
107.05031	13.8
117.07111	2.2
119.05004	7.6
120.99648	11.6
121.06583	3.4
124.08067	2.0
133.06587	2.8
139.07614	2.4
145.06567	3.4
147.08159	19.4
148.08392	2.0
149.06094	11.5
156.05721	2.3
157.06514	9.8
159.08167	27.5
160.08310	1.9
161.06047	4.8
164.04770	2.5
171.08180	5.1
173.06133	2.1
175.07603	2.2
177.09193	8.3
183.08122	5.9
185.09763	3.8
191.07135	4.6
195.08128	6.6
198.06862	9.8
201.05544	3.0
201.09190	11.7
203.07159	9.6
211.04237	2.9
213.09204	28.0
214.09550	3.6
217.08643	3.3
219.10234	24.7
220.10451	2.6
231.10275	16.3
232.10565	2.6
245.08174	4.5
247.09714	2.4
249.11346	9.6
257.08130	4.6
263.09290	4.3
275.09244	8.3
279.12424	3.8
293.10263	5.1
321.92505	1.7
350.75208	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	378.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.6
59.01370	0.9
59.23072	0.5
61.98828	100.0
62.52650	0.4
65.00316	0.8
71.52570	0.6
72.15611	0.4
74.71658	0.4
84.88322	0.4
99.04519	11.5
125.02484	2.2
191.94383	0.4
192.11137	0.4
205.12390	0.6
216.11209	0.9
341.09741	0.6
378.18887	3.1
379.25076	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.6
59.01370	0.9
59.23072	0.5
61.98828	100.0
62.52650	0.4
65.00316	0.8
71.52570	0.6
72.15611	0.4
74.71658	0.4
84.88322	0.4
99.04519	11.5
125.02484	2.2
191.94383	0.4
192.11137	0.4
205.12390	0.6
216.11209	0.9
341.09741	0.6
378.18887	3.1
379.25076	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	379.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
62.65182	0.9
66.26936	0.9
68.81997	0.8
70.19214	3.7
79.95730	1.8
96.95997	2.0
98.20554	1.3
120.99658	100.0
121.16687	1.1
122.00002	1.9
151.95839	1.0
163.04022	2.3
164.04800	39.2
165.05098	2.1
170.00482	1.5
179.07137	39.7
180.07466	2.3
180.99657	49.7
181.99898	2.8
195.01221	1.9
196.01985	57.6
197.02292	3.4
209.02824	1.9
211.04340	60.3
212.04623	4.2
213.50958	0.8
237.05902	1.1
240.05984	0.8
299.05936	26.6
300.06253	3.3
314.73541	0.8
328.36401	1.0
379.01633	54.5
380.02063	5.0
395.97415	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2332
Annotation	Dendronpholide E
Peak:m/z	Relative Intensity
55.10540	0.4
56.25926	0.3
59.01375	0.7
62.63042	0.3
69.50644	1.3
69.51071	1.2
85.02933	0.4
87.00892	0.8
88.22095	0.3
94.47253	0.4
99.04523	2.2
109.69656	0.3
118.03429	0.3
137.63513	0.4
147.07866	0.4
162.06888	1.7
176.08418	0.6
191.10762	0.9
215.10695	0.8
233.11821	0.8
247.09654	0.3
248.14137	0.8
272.02289	0.3
289.18054	2.4
317.21304	0.4
377.23309	100.0
378.23651	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	377.306
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77295	1.2
67.24804	1.2
71.20578	2.3
71.34267	1.1
74.65510	1.4
113.26598	1.3
128.51418	1.3
163.20044	1.4
234.49843	1.4
293.28488	2.4
333.31619	100.0
334.32010	17.2
335.29559	20.6
336.29861	3.4
377.30591	71.6
378.30902	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	378.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.7
61.98828	100.0
66.03067	0.6
66.96499	0.7
71.00226	0.8
71.01379	1.8
80.32392	0.7
80.96539	0.7
85.02952	1.2
89.02447	2.7
93.01838	0.6
101.02436	1.3
113.02444	1.1
117.03429	1.4
119.03539	1.1
155.10767	1.0
161.02480	1.5
163.42950	0.7
179.05699	0.8
185.00906	0.8
199.09770	1.5
201.59685	0.7
217.03551	1.4
300.81290	0.7
314.78455	0.8
344.75162	0.6
379.07153	0.7
379.11935	1.1
379.16180	5.1
381.45416	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10719	0.9
50.52113	0.8
57.03453	0.9
58.33213	0.8
59.01381	100.0
60.01717	1.2
61.54350	1.0
68.02257	0.9
69.43233	6.9
71.01364	1.4
85.02956	1.5
99.04524	3.2
101.02398	1.2
111.39637	0.9
170.62608	1.0
185.11832	1.2
220.23093	0.9
245.13875	2.1
245.17433	1.2
247.07874	1.0
303.94202	0.9
333.17014	3.0
335.20758	1.7
374.25119	1.0
377.19125	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	377.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10719	0.9
50.52113	0.8
57.03453	0.9
58.33213	0.8
59.01381	100.0
60.01717	1.2
61.54350	1.0
68.02257	0.9
69.43233	6.9
71.01364	1.4
85.02956	1.5
99.04524	3.2
101.02398	1.2
111.39637	0.9
170.62608	1.0
185.11832	1.2
220.23093	0.9
245.13875	2.1
245.17433	1.2
247.07874	1.0
303.94202	0.9
333.17014	3.0
335.20758	1.7
374.25119	1.0
377.19125	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	377.1969
Annotation	3beta-Angeloyloxy-5alpha-hydroperoxycostic acid methyl ester
Peak:m/z	Relative Intensity
57.03444	1.7
57.50831	0.6
59.01376	1.2
61.98846	0.8
70.32370	1.9
96.95998	2.3
99.04520	14.1
101.06079	100.0
102.06420	2.9
113.85095	0.6
126.62618	0.6
130.08919	0.6
139.99965	0.6
149.06058	3.2
157.06554	0.7
159.04517	0.9
161.02484	0.8
162.03180	1.2
163.03976	1.9
165.05568	0.9
173.09714	1.0
174.03197	1.4
175.03976	2.6
175.07573	0.9
177.05574	2.4
185.06052	1.2
187.07555	1.4
188.04732	1.5
189.05542	2.7
189.09247	2.6
190.02751	4.5
191.07108	3.0
197.09738	0.7
201.05563	1.6
202.06476	0.7
203.03581	0.8
203.07092	4.1
203.10756	1.9
204.04207	0.7
204.07837	2.7
205.05052	1.2
213.05524	1.7
213.09158	1.6
214.09886	0.7
215.07155	0.8
215.10751	5.6
217.08676	19.0
218.09094	1.4
219.06604	14.3
220.06920	1.3
231.06624	6.2
231.10242	1.6
232.07121	1.0
232.10992	2.9
233.11835	2.8
240.61890	0.6
242.09462	1.9
243.10074	1.0
245.07928	0.7
246.08949	1.9
247.09549	0.7
248.14165	3.2
259.09729	1.5
260.10510	9.9
261.10889	0.7
275.12872	2.7
279.12357	0.9
306.14664	0.7
307.83023	0.6
315.16034	0.9
316.16599	1.1
319.15515	12.4
319.22723	0.7
320.15756	1.7
333.13434	3.5
333.16681	0.6
334.17822	2.3
344.16129	2.3
345.16983	1.5
348.15756	6.0
349.16101	1.1
362.17343	17.6
362.21954	0.9
363.17816	3.2
377.19580	71.8
378.19946	10.6
378.23999	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10719	0.9
50.52113	0.8
57.03453	0.9
58.33213	0.8
59.01381	100.0
60.01717	1.2
61.54350	1.0
68.02257	0.9
69.43233	6.9
71.01364	1.4
85.02956	1.5
99.04524	3.2
101.02398	1.2
111.39637	0.9
170.62608	1.0
185.11832	1.2
220.23093	0.9
245.13875	2.1
245.17433	1.2
247.07874	1.0
303.94202	0.9
333.17014	3.0
335.20758	1.7
374.25119	1.0
377.19125	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	377.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.6
59.01376	2.3
69.25206	13.5
76.87267	1.3
87.00877	40.9
87.04502	4.4
88.01224	1.5
96.95489	1.7
96.95988	9.4
98.20661	3.0
99.04523	13.2
104.52966	1.8
118.66306	1.5
121.02999	1.5
135.04539	1.5
136.05322	1.6
149.06126	1.6
162.06860	8.9
164.08406	2.9
174.06857	3.4
175.07596	7.9
176.08391	3.7
189.09207	12.3
190.09802	2.7
191.10815	6.1
192.90874	1.5
193.12286	1.8
201.09163	1.6
202.10014	4.0
203.10631	2.1
212.70926	1.5
215.07295	1.4
215.10748	6.9
216.11548	1.6
231.13982	2.6
233.11842	2.1
256.14633	4.3
259.16830	2.8
271.17038	5.3
274.15787	13.4
275.15982	1.7
289.18091	100.0
290.18427	12.6
359.18509	3.5
377.19589	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	377.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.7
57.72515	1.6
59.01382	47.0
69.22715	15.8
83.05031	2.5
86.60965	1.4
87.00874	44.8
99.04516	4.9
103.22723	1.5
162.06854	8.2
164.08401	5.5
164.90276	1.6
174.06853	2.2
175.07605	8.4
176.08363	3.7
189.09171	10.1
191.10751	3.5
193.12283	2.4
202.10030	3.0
204.82169	1.8
215.10600	2.3
216.11618	1.8
231.13885	3.2
256.14691	3.2
259.17133	3.9
271.17038	7.2
274.15781	11.2
275.16061	2.8
289.18079	100.0
290.18420	13.3
315.19611	1.9
377.23331	5.6
386.06146	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35513	1.2
53.83868	1.2
57.03449	2.2
59.01362	1.7
69.18253	12.9
85.02979	1.3
87.00879	55.3
97.67970	1.7
99.04519	12.9
103.48289	1.3
159.08281	1.4
162.06885	20.2
163.07494	1.4
164.08398	1.8
175.07646	12.0
176.08475	1.8
185.09853	1.5
187.07614	1.7
188.08459	1.3
189.09224	5.7
190.09958	2.2
191.10783	3.9
197.09695	1.8
201.09204	1.7
202.09940	2.4
203.10814	4.1
204.11583	3.4
213.12802	2.1
215.10779	8.6
216.11528	21.3
217.12029	2.4
219.13907	3.4
231.13889	14.0
232.14194	1.3
233.11787	3.4
244.35558	1.4
248.14185	1.9
274.15778	11.6
289.18103	100.0
290.18436	12.9
323.33063	1.5
365.27365	1.3
377.23328	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	10.5
59.01380	8.6
66.76204	1.0
68.52557	0.8
69.03450	5.1
69.11832	0.8
71.01383	10.1
71.05012	2.0
72.02153	6.2
73.02943	12.9
74.42997	0.8
79.95744	1.6
80.96507	3.9
83.05021	15.7
85.02950	7.0
85.06593	0.9
87.04510	8.6
89.02441	2.0
95.05035	4.6
96.54269	0.8
97.06601	7.8
99.04540	1.9
101.02429	2.0
101.06088	11.1
111.08154	1.6
113.02438	1.5
113.06087	4.2
115.04004	0.9
115.07655	3.6
116.04786	7.4
117.05608	4.7
123.08140	3.8
125.06096	2.3
127.07626	2.1
129.05588	2.1
129.09189	1.5
130.06361	1.9
131.03511	3.1
131.07133	37.8
133.10214	0.9
135.11806	4.4
137.09691	3.4
139.07697	0.8
141.09201	11.2
143.07104	2.0
149.09718	0.9
153.12860	1.2
155.10710	1.2
165.12875	1.1
167.10793	1.0
183.13898	5.2
185.11798	10.4
195.06598	1.0
199.13397	9.8
201.14948	18.7
215.09128	1.4
245.13913	100.0
246.14255	7.0
257.12787	1.2
333.10074	3.3
377.09155	3.7
377.18091	36.3
378.18329	6.4
379.54910	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	6.0
68.42403	1.9
70.90497	3.3
73.79189	2.0
78.52354	1.9
82.51429	1.6
87.00870	51.5
99.04523	5.4
118.02142	1.8
121.35277	1.6
125.99518	1.6
147.04446	2.0
162.06853	20.5
164.08400	2.4
174.06848	3.0
175.07635	16.6
176.08322	2.2
189.09180	5.1
190.09973	2.5
191.10771	3.8
201.09109	3.2
202.09921	2.7
203.10701	3.9
204.11523	3.8
213.12726	2.5
215.10764	7.1
216.11504	28.7
217.12077	5.4
219.13861	6.0
231.13857	18.5
233.11781	2.1
248.14096	2.9
274.15686	13.3
289.18085	100.0
290.18420	14.1
359.18597	2.0
377.23373	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75823	1.8
56.36107	1.7
57.03453	16.0
59.01377	3.0
70.12036	8.3
85.22911	2.0
94.95263	2.0
98.19847	2.3
99.04516	100.0
116.04796	1.7
133.06586	2.9
145.06601	11.8
157.06552	7.4
158.07321	2.0
161.09695	2.9
173.09721	13.8
185.09721	4.4
197.09697	8.7
200.08397	3.9
203.10782	16.9
204.07851	2.4
215.10750	55.1
216.11214	4.2
233.11816	33.1
234.12250	4.2
247.09908	2.3
259.09854	9.2
275.58981	2.1
277.10797	4.8
305.74014	1.8
319.63333	2.3
343.15445	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	377.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66206	0.9
57.03440	7.3
59.01373	1.4
65.19827	0.9
69.03427	1.0
69.77485	4.5
70.59135	0.9
72.26285	0.8
83.05069	1.2
87.39539	1.0
97.02946	2.1
98.20657	1.6
99.04519	100.0
100.04857	4.0
104.99741	1.0
105.07104	2.3
119.05058	1.4
119.83122	0.9
121.06583	3.1
133.06602	3.6
145.06616	6.6
149.06122	1.2
157.06599	2.3
161.09721	14.7
163.07671	2.3
173.09727	1.8
175.07616	1.1
185.09709	5.7
195.52005	1.3
197.09616	1.3
199.21870	1.3
203.10759	28.1
204.11084	2.7
215.10767	9.3
216.11285	1.3
233.11755	6.9
247.09753	24.7
248.10066	2.3
259.09753	2.8
277.10788	4.1
295.11899	1.8
340.75470	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	10.7
64.08542	1.1
68.48537	1.2
70.24916	4.3
96.57172	1.2
99.04521	100.0
100.04883	3.2
105.07073	1.5
117.07097	2.0
121.06614	1.9
133.06580	1.6
143.21544	1.0
145.06595	6.5
157.06577	4.8
161.09758	2.2
163.07742	2.5
171.08145	2.4
172.08969	1.5
173.09691	8.6
175.07645	1.9
182.77338	1.3
185.06067	2.7
185.09659	3.2
197.09691	4.8
199.07652	1.8
200.08411	2.1
203.10793	11.0
204.07979	1.6
215.10744	34.3
216.11124	2.5
233.11842	26.5
234.12111	2.6
247.09731	2.9
259.09872	5.8
277.10748	3.9
295.11792	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	377.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03204	1.6
57.03441	10.5
61.77802	1.5
67.35660	1.4
70.95616	1.5
70.95957	2.8
74.81401	1.4
78.85827	1.5
99.04518	100.0
100.04849	5.2
145.06569	5.2
157.06561	4.6
173.09712	6.7
184.06067	1.5
185.09677	3.5
197.09715	4.8
199.07416	2.0
203.10800	13.7
204.07808	1.8
215.10735	39.7
216.11000	3.2
233.11815	31.1
234.12169	3.5
247.09822	2.8
259.09711	8.3
260.10089	2.1
277.10657	4.8
295.11905	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.6
57.03448	15.0
58.28726	1.7
59.01376	4.1
66.28618	1.8
71.52298	3.5
83.05020	2.0
99.04520	100.0
100.04859	1.9
111.61369	1.6
117.07117	2.5
129.07088	2.1
133.06584	3.7
134.03740	10.1
145.06541	6.7
148.05276	1.9
149.04901	3.2
149.06078	45.5
150.06421	2.5
157.06593	5.2
161.06013	1.9
161.09636	2.9
173.09702	9.8
175.07510	2.9
185.06160	2.3
185.09738	3.2
189.09215	31.3
197.09714	5.1
200.08434	2.4
203.10786	14.1
204.07925	2.6
215.10745	39.9
216.11102	5.4
233.11807	27.6
234.12292	2.2
247.09785	2.8
248.14168	82.7
249.14450	8.8
259.09671	5.9
277.10864	5.0
285.80444	1.7
295.11868	3.4
341.10931	2.1
377.19400	1.9
377.23322	23.4
377.27170	2.4
378.23471	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	377.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	14.8
61.98830	1.8
64.57880	1.0
70.84334	2.9
71.01372	3.4
71.15214	1.0
73.02908	1.8
74.55830	0.9
75.42135	0.9
79.90255	1.0
79.95723	2.0
80.96500	7.6
85.02911	1.3
86.67564	1.0
89.02428	3.3
93.03502	1.2
94.25980	0.9
96.95985	2.4
97.06620	1.1
98.10938	1.0
99.00835	1.7
99.04599	1.1
101.02441	3.4
106.76120	1.1
109.02962	1.2
113.02460	1.8
117.03437	1.8
119.03516	1.2
134.03694	1.2
135.04520	100.0
136.04843	6.1
145.02901	1.3
149.06102	1.1
155.07120	1.2
159.02933	1.8
161.04602	1.7
171.10274	1.4
173.02455	1.2
179.03496	7.4
180.03801	1.2
187.02417	1.7
191.05585	1.3
197.08215	1.7
215.09146	3.3
220.71761	1.0
223.13168	1.0
245.13902	2.5
297.09860	5.7
297.12869	1.2
333.10138	1.4
341.08624	17.5
342.09152	3.0
377.05246	4.7
377.09766	8.0
377.14011	2.4
377.18484	1.6
378.14694	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
59.01380	11.0
61.98808	1.3
68.99825	1.2
70.84109	2.6
71.01369	3.7
73.02930	1.4
79.95715	1.7
80.96503	3.7
83.05039	1.2
85.02911	1.6
89.02444	2.0
95.05038	1.0
99.00859	1.3
99.04507	1.8
100.31120	0.9
101.02454	2.2
101.06080	1.1
113.02399	1.6
117.37659	0.9
131.07121	1.0
134.03740	1.3
135.04526	100.0
136.04869	4.0
145.02950	1.6
151.03943	1.5
153.09180	1.0
161.04578	1.0
171.10182	1.1
179.03522	11.3
179.07076	1.0
187.02481	1.8
197.08200	1.4
215.01845	1.1
215.09154	3.1
245.13918	4.0
250.66269	1.0
272.24469	0.9
297.09714	4.2
341.08655	16.0
356.21725	0.9
377.05331	4.1
377.09283	2.4
377.14426	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	377.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	6.5
69.91450	4.0
69.91857	2.3
74.20780	1.4
95.05037	1.5
97.02960	2.9
98.20537	2.2
99.04518	100.0
100.04856	3.5
101.06092	2.4
105.07111	4.4
121.06599	2.6
123.04517	1.3
130.74129	1.4
133.06619	6.5
134.34270	1.2
141.04153	1.3
145.06589	6.4
146.72403	1.2
148.05098	1.3
159.08156	1.2
161.09720	13.8
162.10028	1.5
163.07678	1.6
173.06113	1.5
173.09741	1.5
185.09731	5.8
187.07614	2.6
199.07649	1.3
203.10771	34.9
204.11116	2.7
215.10742	3.9
229.08737	2.0
233.11818	3.5
247.09724	30.9
248.10023	3.0
259.09827	1.7
277.10709	4.8
289.18188	2.1
295.12061	1.3
340.61627	1.4
377.15381	1.5
377.19690	2.1
378.20300	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	375.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01707	2.0
61.55745	0.9
66.05102	1.0
71.01381	6.5
71.52663	1.5
73.02935	2.7
85.02943	4.2
87.00880	1.8
89.02416	2.0
99.00937	1.1
99.04517	3.5
99.48624	0.8
101.02449	3.4
111.10663	0.9
113.02437	3.6
119.03513	0.9
119.67854	1.0
127.00959	0.8
129.86145	0.9
139.11232	1.3
154.18001	1.1
161.04506	2.5
166.65141	1.0
173.06161	1.3
183.10143	1.4
201.09074	1.1
213.09280	1.2
229.08708	1.6
231.10251	4.8
243.12291	2.6
257.15402	1.6
275.09033	1.0
315.18158	2.6
375.14001	1.0
375.18005	8.1
375.27145	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17675	0.9
59.01378	100.0
60.01718	0.9
65.03841	0.8
69.47677	2.0
69.48104	2.9
71.01395	2.5
71.07775	0.7
73.02946	1.2
85.02947	1.7
89.02457	1.0
99.04573	0.8
101.02448	2.0
113.02483	1.4
117.03490	2.1
161.04575	2.3
182.99352	1.0
190.85202	0.7
199.13484	1.2
243.12413	1.2
315.18134	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	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01106	2.9
59.01381	32.1
60.66291	1.9
68.02763	2.2
69.99764	7.3
70.00095	2.3
72.60435	2.1
83.50922	2.0
93.23887	1.9
95.05024	34.0
98.19920	2.0
99.04515	5.4
99.92541	1.9
139.11314	4.0
147.08203	1.8
195.13948	10.9
210.20657	2.2
223.13358	10.9
231.10338	2.8
243.12326	5.5
246.12370	11.5
247.12756	2.5
256.13116	2.7
275.20172	5.2
278.11337	81.1
279.11688	8.1
293.21222	100.0
294.21609	11.2
300.19882	2.4
315.19382	18.0
317.21179	28.1
318.21692	4.0
338.12283	3.9
375.17032	30.8
375.21655	5.9
376.17282	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	375.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	2.2
55.01873	5.5
57.03444	8.2
58.00588	3.3
59.01380	100.0
60.01721	1.9
60.02818	0.9
68.99814	1.9
69.03455	2.8
70.05336	3.7
71.01381	95.2
71.05004	1.5
72.01722	1.6
72.99299	5.6
73.02949	21.4
74.03304	0.8
75.00868	2.0
79.95742	1.8
79.99049	2.0
80.96510	1.7
80.99817	1.3
81.03485	1.6
83.01388	12.6
83.05024	5.2
85.02953	36.1
86.03311	0.9
87.00890	5.9
89.02446	56.8
90.02775	1.4
92.40632	0.9
93.03462	1.4
95.01372	6.4
96.96045	1.2
97.02985	1.7
97.06647	1.4
99.00880	10.1
99.04507	1.3
101.02444	69.8
101.06075	4.2
102.02795	2.3
108.67842	0.9
109.02945	1.7
109.06617	0.9
111.00893	2.6
113.02452	43.6
114.02764	1.1
117.03491	2.1
119.03506	22.3
120.08393	0.9
121.02959	1.1
123.00858	4.1
123.08127	1.2
123.13704	0.8
124.98806	3.0
125.02467	2.1
125.09744	1.2
129.01958	2.0
131.03516	3.9
133.10291	0.9
135.04590	2.7
139.11331	2.1
140.01164	9.1
143.03510	5.4
143.07166	2.3
144.00670	2.2
145.02907	1.4
148.08592	0.8
149.02469	2.3
149.04543	10.6
149.05806	1.0
149.06195	0.9
150.03233	1.1
151.11357	1.0
153.01909	6.3
155.03488	6.6
158.03716	1.9
159.02988	9.0
161.04556	48.2
162.04961	1.2
163.11386	2.2
165.01743	0.9
165.05553	1.9
165.75719	0.8
169.02979	1.4
170.03717	1.8
171.04541	1.3
173.02473	1.9
173.06035	4.5
175.04066	3.6
176.04044	2.8
179.03702	1.1
179.05643	4.2
181.01483	2.7
181.12398	2.6
183.10283	3.6
184.00063	1.1
185.02463	1.1
185.06117	2.3
186.03215	1.0
191.05656	4.0
195.10284	1.3
197.02527	1.2
198.03253	3.6
199.02446	1.1
199.13396	9.3
201.05568	2.1
209.11821	1.5
213.01913	5.9
213.05586	1.4
213.15033	3.4
214.02647	0.9
217.05151	2.6
225.11284	1.9
228.04366	0.9
229.05002	2.4
231.06863	1.0
242.02213	5.1
243.12367	30.3
244.12785	1.6
256.03757	2.7
257.04410	4.3
263.11328	10.3
267.06799	1.2
269.01093	0.9
271.05997	1.2
272.06931	1.2
273.04147	2.4
282.09024	1.2
284.03342	7.0
285.04016	2.7
287.05511	1.1
287.16977	0.9
288.06381	1.9
297.11447	2.6
299.05591	6.4
301.03571	2.3
315.05124	1.4
316.05865	10.4
317.06314	1.2
327.12473	1.9
331.08374	2.8
333.19302	1.1
347.07608	1.1
375.07373	10.1
375.16428	7.0
375.20380	58.1
376.07492	1.8
376.20581	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	375.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
57.78057	1.6
59.01377	27.8
60.17086	1.6
61.98822	2.2
63.64644	1.8
66.05066	1.4
68.68381	1.5
71.52065	2.9
84.02167	1.8
95.01431	1.9
95.04434	2.6
95.05029	40.5
99.04510	8.4
148.63237	1.8
167.37567	1.9
183.10313	3.6
195.13881	11.8
223.13428	8.4
231.10301	3.2
243.12349	7.7
245.08167	1.7
246.12280	12.7
275.20154	5.8
278.11337	81.6
279.11658	7.5
293.21213	100.0
294.21542	12.7
315.19406	16.8
316.19666	2.0
317.21155	7.2
318.21533	2.9
338.12125	6.4
375.17007	13.2
375.21533	4.5
375.25385	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	377.0643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33185	0.3
54.60710	0.3
57.03441	0.3
59.01381	4.2
60.49618	0.3
71.01369	0.8
71.03564	0.6
73.02928	0.6
79.95723	0.7
80.96524	1.2
83.05038	0.5
85.02959	0.5
89.02453	0.6
96.96026	0.3
99.04499	0.5
101.02476	0.8
107.05038	0.4
113.02462	0.5
134.03764	1.4
135.04523	100.0
136.04845	5.6
136.05806	0.5
145.02922	0.4
151.03978	1.2
153.09229	0.7
155.07161	0.7
171.10255	1.1
179.03470	6.5
182.05873	0.3
197.08163	0.4
215.09215	4.5
245.13953	0.5
297.09750	5.3
298.10074	0.5
333.09885	0.5
341.08722	15.5
342.09091	1.4
377.06268	1.8
377.14545	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33206	0.5
59.01373	0.7
60.75950	0.6
60.97525	0.7
62.17042	0.5
71.51913	0.7
71.52342	0.6
72.94891	0.6
74.99074	2.7
90.37424	0.6
93.00157	0.7
112.90125	0.7
143.05338	0.7
158.80434	0.6
159.08472	11.6
161.06404	2.7
192.98125	0.8
209.01247	3.1
217.07024	1.2
243.12357	1.5
275.06021	1.1
277.07602	2.7
289.07550	2.0
291.09094	96.3
292.09225	14.6
301.21756	0.8
309.10251	0.9
333.44421	0.5
357.13678	1.7
359.15326	100.0
360.15503	19.7
375.18561	5.3
376.18362	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93462	0.9
70.82822	3.2
74.99076	2.0
92.14427	1.0
121.25688	1.0
124.06326	1.0
149.43098	0.9
159.08447	12.2
161.06366	3.5
192.97882	1.0
194.57326	0.9
209.01280	2.2
217.07147	1.9
275.05725	1.3
277.07510	1.9
289.07510	2.5
291.09088	100.0
292.09216	14.5
302.08032	1.2
357.13910	1.6
359.15335	98.8
360.15546	19.5
375.18457	5.4
397.67410	1.3
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
53.00310	2.1
54.36489	1.3
55.01860	5.1
57.03452	8.4
58.00577	4.1
59.01378	100.0
60.01710	1.3
63.12675	1.0
67.30837	1.0
67.53304	1.3
68.99808	2.6
69.03442	2.5
71.01378	82.1
71.05022	2.0
71.52147	1.3
72.01713	3.0
72.99299	5.8
73.02941	21.6
74.03312	1.1
75.00853	1.7
79.95709	2.1
79.99024	1.4
83.01386	9.4
83.05019	8.7
84.02150	1.1
85.02456	2.3
85.02948	33.3
87.00851	5.9
87.04498	1.6
89.02446	51.0
90.02780	1.4
90.24226	1.1
93.03426	2.6
95.01363	5.9
96.96004	1.6
96.99310	1.3
97.02917	2.0
97.06615	2.7
99.00880	10.3
101.02438	67.5
101.06065	3.2
103.04019	2.4
111.08179	1.3
113.02444	37.0
114.05586	1.7
115.07652	1.4
117.03452	3.0
119.03493	18.5
123.00860	4.1
123.08151	2.0
124.98773	5.4
125.02404	2.0
125.06034	1.9
125.09689	1.5
131.03473	4.1
135.04510	2.2
139.11288	8.2
140.01151	12.2
143.03487	5.3
143.04884	1.1
143.07104	4.6
144.00648	1.7
145.03012	1.6
149.02441	2.1
149.04547	20.3
150.03165	2.3
151.11273	2.3
153.01932	7.2
153.02994	1.3
155.03456	6.1
159.02991	7.8
161.04550	44.3
162.04893	1.6
163.11282	2.1
165.05580	1.4
169.02905	4.2
170.03635	3.2
173.02425	1.7
173.06047	4.4
175.03944	3.6
176.04039	1.8
176.54205	1.8
179.05579	2.5
181.01392	3.7
181.12286	3.7
183.10231	7.4
184.73442	1.2
185.05989	2.8
191.05569	2.3
195.10266	2.8
198.03165	3.4
199.02480	1.6
199.13402	14.8
201.05540	3.7
204.80972	1.1
209.11858	1.7
213.01886	4.9
213.14850	2.0
214.02597	1.4
217.04985	1.8
225.11272	5.0
225.13335	1.1
228.04362	1.2
241.05109	1.4
242.02184	6.5
243.12334	51.6
244.12593	3.1
256.03757	3.4
257.04523	4.7
263.11389	10.3
273.03943	1.8
284.03232	9.6
285.03836	2.8
285.07324	1.4
285.13190	1.2
288.06470	2.9
299.05551	8.1
300.05655	1.3
301.03412	2.7
316.05908	11.6
327.12296	1.8
331.07993	2.0
333.19110	2.2
347.07565	1.7
365.22162	1.3
375.07401	8.5
375.16312	14.4
375.20184	57.1
376.07437	1.5
376.20477	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	375.171
Annotation	Leuconicine B
Peak:m/z	Relative Intensity
56.25098	0.8
59.01385	7.0
59.23441	0.8
59.47072	0.9
65.91649	0.8
71.52180	0.8
71.52545	1.1
77.97270	0.7
84.00227	0.9
90.63596	0.8
95.05027	1.7
98.28607	0.9
99.04518	2.4
101.19421	0.9
105.69762	0.9
122.05846	0.9
139.91591	0.8
171.10263	1.2
183.10072	1.1
184.01747	0.9
215.93460	0.9
231.10287	1.2
243.12318	3.3
275.20181	1.2
278.11319	4.0
293.21341	4.9
315.19403	1.7
317.21191	84.0
318.21521	12.1
375.17096	100.0
375.21091	3.6
375.29166	2.8
376.17389	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	375.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28870	1.1
59.01374	8.7
61.98817	1.0
67.75372	1.0
69.51827	7.5
71.01379	10.3
83.05022	1.3
96.95994	1.0
99.04512	4.8
111.59624	1.0
127.07670	1.8
127.91169	1.0
129.36581	1.0
139.11221	1.7
148.05290	1.2
149.06017	1.6
157.06505	1.0
161.02429	1.1
161.06093	1.9
162.06837	1.2
164.08369	1.2
172.05284	1.4
175.07611	1.9
177.09151	4.4
183.10185	1.4
186.06804	3.2
190.09988	3.0
192.11560	7.7
200.08473	1.4
201.09232	3.5
205.12228	1.6
207.13831	1.4
211.11182	1.2
213.09233	1.5
215.06927	1.3
215.10721	4.6
216.07742	1.2
216.11440	2.0
218.09402	2.5
220.14656	37.7
221.15445	100.0
222.15771	8.7
227.10805	1.8
229.08630	3.2
231.10260	1.6
235.13408	1.5
236.10519	83.4
237.10875	8.0
241.15878	1.8
243.12358	3.9
248.10571	1.3
257.15460	2.5
263.12863	1.8
271.13370	1.7
274.15790	1.9
275.16403	1.1
278.15341	1.9
285.15005	2.4
289.15039	1.2
289.17902	5.3
291.09207	2.4
293.17584	37.3
294.17847	4.3
297.18427	1.1
299.13177	2.0
299.16516	4.1
299.20099	4.1
300.16968	1.9
310.16861	1.0
313.14578	2.0
314.15320	1.3
314.18817	3.5
315.19473	2.2
318.09537	2.9
328.16809	2.3
329.21085	3.1
332.19592	1.5
342.18207	3.8
343.19067	8.0
347.22186	4.9
357.20471	2.6
359.15350	1.5
360.19525	5.9
375.17532	11.7
375.21774	13.3
376.18103	1.8
376.22226	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22821	0.3
57.03444	1.9
58.85147	0.3
59.01377	28.1
60.01661	0.4
69.03458	1.9
71.05040	0.4
73.02946	3.5
83.04981	0.5
85.02950	0.3
87.00840	0.4
95.05039	0.8
95.19360	0.3
99.28905	0.3
102.58310	0.3
125.09784	0.3
129.05577	0.7
131.03493	0.7
137.09708	0.6
139.11285	27.7
140.11624	1.8
149.04515	0.5
163.11292	1.6
165.09183	1.1
181.12335	14.7
182.12653	1.2
183.10248	30.7
184.10599	1.9
199.13379	9.8
200.13779	0.4
207.10280	1.5
225.11308	10.8
226.11673	0.9
237.71283	0.3
243.12352	100.0
244.12694	9.8
244.15210	0.4
338.28796	0.3
375.16550	34.5
376.16959	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.3
56.41570	1.1
57.03429	2.6
58.00576	3.5
59.01379	100.0
60.01697	1.6
61.98838	1.6
69.03448	2.8
70.21621	4.9
71.01379	59.2
71.05016	2.6
72.99295	5.0
73.02954	9.4
78.69252	1.2
79.95727	1.9
80.96502	1.2
83.01375	5.6
83.05017	3.9
85.02943	17.6
87.00874	4.4
87.04520	1.8
89.02442	59.0
90.02706	1.2
93.03414	1.9
95.01372	3.6
96.96020	1.1
97.06561	1.3
98.20651	1.1
99.00877	2.3
99.04434	1.3
101.02441	43.9
101.06084	1.4
113.02457	25.2
119.03498	34.0
123.08199	1.5
125.02457	1.3
125.09669	2.6
131.03477	2.3
133.02930	1.1
135.04559	2.5
139.11366	1.3
143.03528	2.8
146.04599	1.6
149.02440	5.2
149.04558	12.5
150.03189	3.2
151.11284	2.1
156.92657	1.1
161.04533	4.7
165.05511	3.9
166.08745	2.2
167.49124	1.1
169.12329	2.1
176.03955	2.6
176.54184	1.4
177.09227	2.1
179.03452	1.2
179.05574	5.3
181.12289	1.8
191.05563	4.1
195.06525	3.0
199.13409	5.4
200.07431	3.0
209.11829	2.6
225.11217	1.4
227.12772	1.7
243.08122	17.6
243.12326	19.5
244.12627	1.6
258.06400	1.5
312.10147	1.8
327.12415	4.5
328.12677	1.6
331.17743	1.3
345.73135	1.2
357.15527	7.1
370.34476	1.4
375.07623	2.4
375.12973	3.1
375.16531	71.9
376.16943	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	375.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70578	5.7
59.01382	85.9
62.56873	5.9
69.52105	29.9
69.52520	13.9
89.60178	5.5
99.04510	100.0
100.04856	6.9
159.08212	7.7
161.06096	8.1
171.08119	8.0
179.07120	7.9
201.09207	6.9
213.09099	8.2
229.08716	11.6
231.10231	28.1
273.77649	6.5
284.74149	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	375.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61274	0.8
57.03453	1.8
59.01379	26.8
60.81924	0.8
69.51407	2.4
69.51819	2.6
73.02929	2.2
82.25615	0.8
85.45648	0.8
87.04546	0.8
100.97072	0.8
129.71271	0.8
139.11296	22.8
140.11584	0.9
163.11235	1.4
165.09183	1.2
176.85770	0.7
181.12352	13.1
183.08669	1.4
183.10266	26.0
184.10577	1.7
199.13420	6.9
207.10260	0.8
225.11304	5.7
243.12364	100.0
244.12682	8.0
278.45621	0.8
308.63620	0.8
375.16605	21.9
376.16812	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	375.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64426	5.7
59.01381	100.0
69.18687	65.2
99.04522	93.6
106.31853	6.5
143.05144	5.9
163.07678	6.7
190.64203	5.9
209.30847	6.3
213.09175	11.4
229.08681	14.3
231.10271	34.7
313.47864	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	8.9
59.01374	3.9
68.27693	1.3
70.13136	4.3
70.13527	2.9
85.02956	3.9
97.40224	1.4
99.04520	100.0
100.04846	4.6
105.07092	3.6
108.72023	1.5
109.02917	3.2
109.06609	1.7
117.07107	3.0
119.08689	2.6
121.06606	2.6
122.03760	4.4
123.04523	23.9
126.01549	1.4
133.06575	4.1
134.87244	1.5
135.04468	2.3
135.08148	1.7
145.06575	2.1
147.08128	4.3
149.06039	1.7
149.56728	1.7
151.03972	6.5
158.03790	1.7
159.04549	2.8
159.08153	2.8
161.06064	4.7
161.09708	7.2
163.07671	2.7
164.09412	1.5
165.05586	12.2
166.62544	1.7
168.20255	1.5
171.08105	4.9
173.06064	26.6
174.06772	4.4
175.11259	4.7
177.05573	2.8
185.09647	3.1
187.07564	5.1
188.08403	6.5
189.09180	12.8
191.14536	1.5
195.08192	2.3
198.06821	3.6
201.05493	1.5
201.85927	1.6
202.06377	8.6
203.06776	1.8
203.10695	4.7
207.06656	1.9
211.07599	1.4
213.09221	27.9
214.09593	2.6
215.07115	3.3
216.07899	5.2
231.10252	77.7
232.10562	6.4
245.08170	1.9
257.08163	6.7
268.90256	1.7
273.11392	1.8
275.09250	15.8
345.02240	2.2
375.07108	2.3
375.14407	16.3
376.14584	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	375.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.2
59.01369	3.2
68.99823	1.1
69.03447	2.6
69.82562	4.0
70.67144	0.8
72.91948	0.7
79.05527	1.2
81.03410	1.0
83.05044	2.9
85.02951	2.1
86.02369	0.8
91.05545	1.8
93.03459	0.7
93.07082	1.4
95.05046	1.5
97.02951	5.2
99.04517	100.0
100.04865	2.7
105.07090	1.6
107.05003	1.5
108.02168	3.0
109.02948	1.7
111.04532	4.1
115.04027	2.1
119.05022	2.5
121.02905	0.8
121.06598	1.4
123.04529	11.2
131.05011	1.0
133.06616	7.6
135.04590	0.9
135.08093	0.9
137.06161	2.0
139.03957	1.0
143.05011	0.9
145.06557	1.5
147.04500	1.0
147.08208	1.3
148.05461	0.8
151.03999	4.3
157.06662	1.0
159.04463	0.9
159.08162	2.3
160.05293	1.2
161.06068	3.2
161.09683	4.3
165.05560	1.7
167.69724	0.8
169.06604	0.9
170.07213	0.8
170.42775	0.7
171.08186	4.5
173.06068	6.2
174.06842	1.5
175.07600	1.9
177.05592	1.2
185.09721	4.7
187.07669	4.4
187.11259	2.8
189.09171	6.5
191.07236	1.0
201.09209	2.9
203.05353	0.8
203.07179	1.0
203.10773	4.7
213.09267	6.3
215.07051	2.2
229.08736	1.4
231.10252	14.1
233.08192	1.2
234.56825	0.9
245.08173	2.6
247.09691	1.3
275.09253	20.1
276.09537	2.2
342.25629	0.8
375.14148	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	9.8
57.51665	0.7
59.01384	5.6
66.48973	0.8
68.99812	1.5
69.03448	1.4
70.13163	3.4
79.05530	1.5
81.03459	2.3
83.05022	1.3
85.02947	3.8
87.61536	1.1
93.03451	1.7
95.05033	1.9
97.02943	1.9
99.04521	35.8
100.04898	1.0
102.10690	0.7
105.07058	0.8
107.05025	2.8
108.02164	1.6
109.02968	8.4
117.07130	0.9
119.04966	1.0
121.02946	2.3
121.06580	1.0
123.04519	7.8
129.07108	1.9
131.05006	1.4
133.06595	7.0
134.85466	0.7
135.04492	1.2
135.08130	1.4
145.06573	5.0
146.03743	1.4
147.04495	1.4
147.08134	1.1
149.06053	2.9
151.04008	5.4
159.04498	2.4
159.08154	0.9
161.06079	4.4
161.09695	3.6
163.07642	2.0
171.08154	3.4
172.05269	1.1
173.06064	27.0
174.06499	2.4
183.08133	0.9
185.09737	2.4
187.07664	3.8
187.11253	1.0
188.08467	4.0
189.05537	1.1
189.09183	4.2
191.07167	1.9
197.06184	1.2
198.06761	1.4
201.05441	1.2
202.06380	0.9
203.07135	1.4
203.10689	2.3
205.08664	4.1
211.07541	1.2
213.09200	8.8
231.10249	39.1
232.10579	2.6
249.07710	1.7
259.59229	0.8
275.09192	7.6
293.10333	3.9
315.07034	0.8
331.15472	4.9
375.14459	100.0
376.14789	14.5
385.77441	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36338	1.0
57.03441	1.9
59.01352	1.4
69.03472	1.5
69.39967	2.5
69.40376	5.6
79.51604	1.2
83.66998	1.2
93.03433	1.1
99.04524	100.0
100.04845	3.2
111.04559	1.3
143.04977	2.2
157.06645	1.4
159.08170	2.7
161.06073	4.5
167.08754	1.8
170.07259	1.4
171.08151	3.3
174.06741	1.7
183.08142	5.2
185.06042	2.1
185.09703	1.9
189.05591	3.2
191.07085	1.9
195.08115	3.3
201.09192	8.8
206.37573	1.1
213.09160	8.8
215.07069	2.0
229.08682	10.7
231.07979	1.6
231.10269	25.9
232.10562	2.9
245.08167	5.1
257.08163	4.5
275.09222	4.6
293.10358	1.4
303.12561	1.2
303.16663	1.2
345.02426	1.1
375.07242	1.8
375.14221	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	375.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69382	1.3
57.03445	2.3
59.01382	12.8
63.96206	2.2
71.44318	3.0
79.95737	3.8
85.02939	6.4
87.37166	1.4
93.03461	3.8
94.09094	1.4
95.05035	2.2
97.06551	1.8
99.04515	80.9
100.03826	1.4
109.02953	5.9
117.03455	1.5
119.05026	43.9
120.05342	2.3
123.04534	1.6
133.06586	6.7
135.04507	2.5
139.11266	2.8
143.58232	1.3
145.06592	2.6
147.04547	1.4
152.73105	1.5
159.04485	1.6
161.09630	1.3
163.04008	100.0
164.04320	6.9
164.91678	1.4
171.08194	1.4
173.06131	2.7
175.07614	1.6
177.05495	2.4
187.07619	2.3
198.06805	2.1
201.09193	1.9
205.05528	1.3
213.09245	8.0
217.00333	2.1
231.06683	1.8
231.10175	9.1
243.12373	5.1
256.49350	1.6
275.09183	5.0
346.13980	2.6
375.17892	12.4
375.21793	5.4
376.18457	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	375.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04174	4.9
53.00301	17.4
59.01378	38.9
68.99811	12.3
69.27158	33.1
69.27583	14.8
71.01366	13.0
73.02949	4.9
79.99023	11.2
80.96498	5.2
80.99805	12.3
83.01365	7.1
85.02959	9.4
89.00338	5.8
89.02451	9.3
96.99330	7.0
99.00887	17.6
101.02467	12.4
103.04044	6.2
106.63406	5.4
111.00944	5.0
112.98779	6.1
113.02444	7.7
116.01099	10.5
117.03464	19.1
123.00899	32.2
124.98816	31.4
125.02461	5.2
135.04466	6.8
140.01149	82.3
140.98346	7.4
144.00648	22.7
145.02927	8.3
148.98848	6.0
149.06085	7.7
153.01932	50.2
155.03488	53.0
156.02100	5.1
157.06648	5.6
158.03741	12.2
159.02969	15.0
160.01729	8.5
161.04485	7.0
161.78471	5.0
169.02914	14.1
170.03726	20.1
171.02924	7.0
171.04526	6.6
173.02501	6.1
173.06079	33.6
174.03238	9.0
175.03999	22.8
181.01514	24.6
185.06064	15.1
188.04695	7.2
197.02469	9.9
198.03253	26.0
199.03976	5.4
201.01849	7.2
201.05574	13.7
212.04707	6.1
213.01941	36.1
213.05574	11.9
214.02728	14.2
217.05002	18.5
227.73849	5.3
228.04301	14.0
229.05135	12.0
241.01364	8.0
241.04916	13.4
242.02226	47.9
243.12422	26.9
245.04456	8.9
255.06758	7.4
256.03696	38.5
257.04492	39.7
258.04794	6.2
269.00775	9.6
271.06216	8.0
272.06799	12.1
273.04163	28.1
284.03201	65.2
285.03958	16.5
287.05460	8.7
288.06351	22.7
289.03696	6.9
289.07050	8.1
299.05603	47.7
301.03561	18.0
303.08765	6.5
315.05087	13.7
316.05859	100.0
317.06308	7.9
331.08096	23.8
332.08560	5.6
347.07602	12.5
375.07233	58.6
375.16406	12.1
376.07721	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	375.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66705	1.2
53.21138	1.2
57.63500	1.4
59.01379	100.0
61.98820	10.5
67.43221	1.4
69.50785	9.8
71.01388	3.4
72.99300	2.0
73.02957	1.3
85.02939	1.6
87.00866	2.0
93.03419	1.8
96.95989	1.7
107.05025	2.0
110.18565	1.6
123.04494	2.9
135.04497	2.6
138.03212	11.5
145.94197	1.4
151.04050	2.3
153.05577	62.7
154.05881	2.5
161.04512	3.3
164.05847	1.2
165.05501	2.2
165.73521	1.4
174.99237	2.9
187.10994	1.4
209.00926	1.5
213.07693	8.3
217.00264	13.8
240.02087	1.3
243.01738	1.5
265.89236	1.7
282.08786	2.1
297.11215	3.4
346.37384	1.4
375.07037	4.7
393.70938	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.9
57.03436	1.8
57.69194	1.6
59.01384	26.3
69.03451	2.5
69.69223	10.2
71.01378	16.5
73.02939	7.4
74.02471	2.3
79.95748	1.6
81.03488	2.1
83.01381	3.0
83.05023	2.3
85.02946	11.5
87.00840	2.1
87.04533	1.8
89.02446	11.6
91.68133	1.7
93.03436	6.9
95.01364	2.0
95.05004	3.5
97.06590	2.3
101.02447	19.8
102.05616	12.1
103.05926	6.1
104.79044	1.7
109.02964	2.9
113.02441	7.5
118.87054	1.6
119.03486	3.3
121.02966	16.8
122.03773	12.3
123.04511	1.9
128.03540	12.0
129.03914	4.1
133.02957	2.6
133.10193	7.4
135.04527	2.4
136.01645	2.8
146.03654	6.5
146.04594	31.0
147.05017	13.5
149.02438	100.0
149.04509	7.1
150.03233	68.6
151.03752	3.9
151.11227	5.1
159.02974	2.5
161.04539	7.7
161.05965	3.6
164.04791	23.2
165.05566	80.5
166.05927	4.1
173.04500	2.3
176.03893	2.6
176.54173	2.0
179.03494	2.3
179.05807	2.4
179.07092	11.9
180.04254	3.1
182.04140	2.0
191.05569	3.4
195.06624	32.1
199.13443	2.1
212.05116	1.9
214.04826	1.7
243.12364	28.9
251.06941	1.6
255.08897	4.6
269.08081	1.9
279.06454	2.0
287.16794	3.7
297.07819	3.2
312.09991	26.7
313.10358	3.0
316.45847	1.6
327.12350	84.0
328.12772	13.5
341.11819	3.7
345.13412	5.1
345.70578	1.8
357.18848	2.3
358.14294	2.1
358.23987	1.8
375.07022	4.6
375.11261	2.8
375.16269	6.3
375.20642	17.5
376.20224	2.2
394.60941	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	374.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.4
59.01371	1.3
59.73775	0.4
70.80323	0.7
71.01390	0.5
73.02959	0.5
76.26772	0.3
83.05055	0.6
85.02943	1.1
93.03470	0.4
101.02425	0.6
102.05609	35.6
103.05951	0.6
128.03542	29.2
129.03873	0.7
135.04533	0.6
140.42932	0.4
146.04594	100.0
147.04962	3.0
149.04536	0.8
150.03198	0.4
165.05580	0.5
176.03908	0.7
179.03484	0.4
183.10152	0.4
185.39595	0.4
191.05634	1.1
209.11888	0.5
243.12384	1.9
265.06613	0.4
288.28140	0.4
356.17096	0.6
374.18289	1.8
375.16663	1.1
375.20795	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0718
Annotation	Limnophilaspiroketone
Peak:m/z	Relative Intensity
59.01380	12.2
60.01697	1.3
61.01782	1.3
64.58064	1.2
65.00307	3.9
68.99812	2.2
69.59476	6.5
71.01385	2.5
75.00859	5.1
80.71953	1.3
83.01380	2.0
85.02951	2.1
93.03446	2.4
98.19896	2.6
99.00877	4.0
99.04526	12.0
101.02397	1.3
116.02695	3.8
117.03465	100.0
118.03806	5.8
123.08148	1.5
125.02386	3.1
127.00380	6.6
134.00073	2.1
136.98793	4.1
139.11301	3.2
141.03465	4.3
145.02966	2.4
147.02954	3.0
148.98796	13.6
149.99184	1.5
153.01961	3.4
154.99878	2.6
159.08136	1.3
161.02397	2.7
164.01122	5.1
165.03995	3.0
165.12820	5.3
169.02908	3.5
179.03487	6.3
180.00664	1.4
181.12338	2.2
183.10255	3.5
183.13893	16.2
184.01624	4.3
184.05206	1.8
185.02432	38.6
186.03107	7.0
187.03738	1.6
189.01953	1.5
195.02951	1.7
197.02414	7.3
199.04063	2.3
199.13326	1.6
201.05556	3.5
209.11809	1.4
209.88902	1.4
212.04784	2.6
213.01958	18.8
213.09294	1.6
214.02554	4.5
223.02536	3.6
225.01901	1.7
227.12811	11.5
229.05019	16.8
230.05280	1.2
231.10306	3.1
241.01405	24.8
241.05014	1.7
242.01782	2.6
243.12325	12.3
245.04524	11.0
245.08147	1.7
256.03732	4.0
257.04498	2.8
257.08264	1.5
268.00186	2.4
268.22147	1.4
269.00891	79.6
270.01181	7.2
271.06137	3.1
272.06897	1.7
273.04025	38.2
274.04364	3.5
275.09177	2.3
284.03284	22.3
285.03693	5.0
299.05594	32.0
300.02637	9.9
300.05890	3.1
301.03516	31.4
302.03860	3.6
316.05899	10.1
328.02234	9.4
331.08188	27.5
332.08603	2.6
343.04529	22.6
344.04968	1.5
375.07150	45.5
375.16498	11.5
375.27222	7.8
376.07492	4.9
376.17349	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	373.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01908	2.0
54.22952	1.3
59.01379	46.7
67.05857	1.6
71.53691	2.2
75.00872	15.4
84.73764	1.5
85.02950	12.9
119.22250	1.6
148.48343	1.8
151.32126	1.5
267.23248	3.9
269.21201	61.9
270.21497	6.8
270.26984	1.6
277.21753	2.7
293.24808	22.9
294.25095	2.3
295.22769	67.0
296.23157	8.1
311.25897	14.8
315.19467	3.0
328.02109	4.7
329.02805	2.0
337.23795	3.6
343.04669	6.4
355.24863	8.2
358.06909	6.3
373.09433	6.7
373.25931	100.0
374.10162	1.7
374.26245	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	374.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97071	0.3
57.03434	0.5
58.00573	0.4
59.01377	7.9
60.28642	0.3
67.01899	0.4
69.03465	0.4
69.23830	0.3
69.44540	2.2
71.01379	3.5
71.04988	0.7
72.97523	1.0
72.99318	0.6
73.02941	1.4
74.02456	0.4
74.94315	0.3
74.99081	0.4
79.95721	0.5
80.96518	0.7
82.03016	0.3
83.01375	0.5
83.05045	0.7
84.04540	0.4
85.02959	3.0
87.00871	0.8
87.04538	0.7
89.02447	2.3
93.03468	2.2
96.96016	0.3
98.20676	0.4
99.04523	0.5
101.02432	1.9
102.05606	37.9
103.05971	0.9
105.03402	0.3
109.02975	0.8
111.04536	0.8
113.02450	1.2
118.98055	0.4
119.03481	1.0
123.08163	1.1
124.01617	0.6
124.08486	0.8
125.02483	0.4
128.03540	29.9
129.03876	1.2
130.08702	0.4
133.02960	0.8
133.10228	0.9
134.21822	0.3
135.04529	4.1
145.06227	1.6
146.04590	100.0
147.04947	3.5
149.02492	1.7
149.04597	2.3
150.03201	2.4
151.03995	1.0
151.07678	0.4
151.11250	0.5
153.09258	0.7
161.02356	0.4
161.04562	1.0
162.08211	0.3
164.04793	0.5
165.05566	2.5
173.04578	1.0
175.04059	0.6
176.04016	5.1
176.54250	0.8
177.09099	0.5
178.02737	0.5
179.03477	3.1
179.07175	0.5
181.12329	0.6
189.12794	0.9
190.13213	0.5
191.05603	8.5
192.05946	0.7
192.32483	0.3
193.05069	0.6
195.06624	1.0
200.14108	0.5
212.08257	1.9
215.05536	0.3
222.51709	0.3
232.89966	0.4
233.12000	0.6
241.07321	1.1
243.12347	4.3
255.08876	8.2
277.10855	1.1
286.14154	0.4
327.12244	1.9
330.11191	0.7
345.13391	2.2
351.07016	0.4
353.08698	0.6
356.17224	0.4
357.15497	0.9
374.18433	1.2
375.07385	1.3
375.16879	4.1
375.20584	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21571	0.3
55.01882	2.6
59.01381	2.9
69.03484	0.8
71.01382	2.1
71.52569	0.4
71.53028	0.6
73.02949	0.6
79.95728	1.8
83.05025	0.4
85.06586	3.4
89.02442	0.5
97.06593	1.1
99.00883	100.0
100.01212	2.2
102.10460	0.4
113.09743	0.6
131.03500	1.0
141.12871	2.1
149.04594	2.0
155.14427	5.3
163.04034	1.1
195.03751	0.4
197.15344	0.5
199.13397	19.8
200.13770	1.2
241.14499	3.7
258.01944	1.0
313.23941	0.4
331.24744	0.8
345.20819	0.6
355.19141	0.5
373.09537	1.1
373.18887	4.2
373.25928	0.9
374.19406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2381
Annotation	Corymbi-7,13E-dienolide
Peak:m/z	Relative Intensity
59.01367	3.2
65.72262	0.8
69.87224	3.9
73.02952	1.6
89.87833	0.7
97.91666	0.8
98.20476	1.0
156.15253	0.8
178.53502	0.8
221.76614	0.8
328.02396	1.1
343.04349	1.6
358.06934	1.7
373.23807	100.0
374.24097	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
52.38401	0.4
55.01883	2.4
57.03456	1.3
58.00587	0.8
59.01380	100.0
60.01704	1.2
68.15102	0.5
71.01383	20.4
72.01773	0.5
72.99310	0.6
73.02946	7.0
75.00879	1.1
83.01388	3.7
84.40209	0.4
84.68491	0.4
85.02950	10.4
87.00906	1.1
87.04518	0.7
87.22382	0.5
89.02460	4.1
95.01408	1.8
97.03002	0.6
99.00880	3.3
101.02443	17.0
101.03108	0.8
105.87813	0.4
113.02457	8.2
119.03541	1.2
125.02534	1.0
129.01996	0.6
143.03540	1.7
159.02988	1.1
161.04562	11.7
162.04893	0.7
167.10890	0.6
169.12337	5.9
169.46306	0.5
211.13353	1.2
241.14346	1.1
313.16608	3.7
315.01660	0.5
330.03870	1.1
331.17618	35.1
332.17926	3.4
373.18674	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	373.1866
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
50.36266	0.5
57.03436	1.1
58.39395	0.6
59.01379	100.0
60.01716	1.5
71.01395	3.1
71.51968	0.7
71.61852	0.5
73.02961	2.2
79.95760	0.5
83.08809	0.5
85.02951	1.2
87.00879	1.0
89.02467	2.0
90.23393	0.5
90.98553	0.6
93.03481	0.9
94.80736	0.6
96.96006	1.0
100.76871	0.5
101.02451	2.3
105.07087	0.8
113.02404	1.2
119.03505	0.6
121.03004	0.5
123.08137	2.6
130.08766	0.5
132.80949	0.5
135.04558	0.7
137.02391	0.5
146.04579	0.6
149.02419	0.6
149.04497	2.6
151.04016	2.7
152.19926	0.5
161.04659	1.0
167.07152	1.3
176.04024	1.0
179.10739	0.5
191.05644	1.5
192.88521	0.5
193.05173	0.8
196.07259	0.5
197.11906	1.5
241.10820	4.8
282.06543	0.7
294.04431	0.8
297.08817	1.8
313.16391	0.6
329.11438	1.6
331.17468	0.8
373.14926	2.0
373.18719	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87812	0.8
52.10046	0.8
55.01862	1.6
57.03445	1.7
59.01378	100.0
60.01709	1.4
69.39471	6.2
71.01015	1.2
71.01385	18.1
73.02948	7.2
75.22359	0.8
83.01405	3.9
85.02955	7.9
86.00089	1.2
87.00890	0.9
89.02448	2.4
95.01414	1.1
99.00853	2.3
99.96679	0.8
101.02441	14.4
113.02432	8.0
120.99638	0.9
143.03497	1.1
159.03001	1.5
161.04539	7.8
169.12337	3.1
241.14400	1.4
313.16425	3.2
331.17618	14.8
332.18109	1.8
370.30240	0.9
373.18619	28.9
374.18823	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1865
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01882	1.7
57.03441	0.8
58.00620	0.7
59.01379	100.0
60.01695	0.9
69.03474	0.8
71.01385	16.1
71.05041	4.3
71.05376	0.8
73.02946	5.7
75.00881	0.7
82.40319	0.7
83.01407	2.2
85.02953	6.2
89.02441	10.5
95.01387	1.1
99.00903	0.9
101.02439	11.0
113.02434	5.5
118.55499	0.7
119.03474	3.4
125.02436	0.8
131.03479	0.9
137.09637	0.9
149.04596	2.3
153.12888	2.4
161.04546	6.1
179.05635	0.9
197.11815	9.4
198.12184	1.1
241.10806	5.7
241.14587	1.1
313.16528	1.3
329.26346	0.8
331.17621	9.1
332.17981	1.2
373.14804	2.5
373.18814	12.5
374.19080	1.5
380.63135	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.1
57.99034	0.9
59.01371	2.8
69.03451	1.6
69.67084	1.7
69.67493	4.5
71.01400	1.6
73.02936	2.2
78.57063	1.0
83.05027	4.9
89.02444	7.4
95.05063	2.5
97.06593	12.2
100.53831	0.8
103.04012	2.0
104.37992	0.7
104.53367	0.8
107.72962	0.8
111.08165	10.6
115.92092	1.2
131.03462	1.8
135.08238	1.0
147.11832	1.5
149.04552	31.2
163.11267	3.4
165.12839	100.0
166.13179	8.2
197.15459	64.2
198.15785	4.9
209.11786	5.1
213.02028	0.9
218.82378	0.8
227.12788	1.0
229.01427	3.1
241.14445	31.7
242.14737	2.9
257.00940	5.8
269.00879	1.8
272.03305	1.5
284.03314	1.4
285.00375	8.9
285.10025	1.0
300.02692	8.8
301.03046	1.6
313.00031	2.7
315.04834	1.5
326.59738	1.0
328.02100	6.7
343.04568	24.7
344.04880	1.7
358.02472	1.2
358.06912	24.6
359.07260	2.6
373.09253	10.7
373.16403	1.6
374.09842	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	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90558	0.3
57.03447	4.5
58.99531	0.4
59.01366	1.6
67.79047	0.4
69.03460	3.6
69.30038	2.3
69.30441	0.7
71.05027	0.9
79.64291	0.4
83.05022	1.4
97.06595	1.0
109.06550	0.5
111.08160	7.9
112.08497	0.7
131.03473	0.5
147.11812	0.7
153.09221	0.7
163.11221	0.7
165.12842	100.0
166.13179	8.0
181.12294	1.9
184.65829	0.4
191.10719	2.2
191.22246	0.4
191.23773	0.4
197.15486	0.6
209.11827	8.7
210.12154	0.7
227.12877	8.8
228.13167	0.7
241.14427	4.1
242.14841	0.5
373.19028	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01712	1.6
65.53352	0.6
68.15461	0.8
71.01384	5.8
73.02948	5.4
83.01387	1.1
85.02969	3.1
89.02444	3.6
93.03477	1.3
101.02436	5.5
113.02471	3.0
113.55907	0.7
119.03526	1.1
123.08160	3.5
143.03499	0.8
145.01407	1.2
149.04584	2.7
155.10779	1.2
161.04604	2.6
173.04538	6.1
179.10739	1.0
196.01846	0.8
197.11819	1.0
199.09853	0.7
223.09853	1.8
241.10789	7.0
262.23373	0.8
263.88297	0.7
278.90610	0.7
281.00436	0.7
331.17645	7.1
332.17993	0.8
352.00110	0.8
373.15140	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	373.1866
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
57.03444	1.3
59.01379	100.0
69.03447	1.6
69.42105	4.7
71.01378	8.2
72.99322	1.2
73.02946	3.8
83.01397	1.3
85.02953	3.1
87.00923	0.9
89.02426	5.3
93.03454	0.8
101.02431	6.8
113.02467	2.8
113.15825	0.6
119.03510	2.6
120.99715	0.7
123.08180	1.1
131.03476	1.0
132.86728	0.6
135.04547	1.4
135.11841	2.2
149.04578	1.6
149.09769	0.8
159.03000	0.9
160.69545	0.6
161.04587	1.6
167.10837	1.8
173.04523	1.8
176.04022	1.0
179.03448	1.5
179.05669	1.0
179.07199	0.7
179.10770	10.4
191.05597	2.3
193.12357	1.3
197.11824	15.6
197.13528	0.9
198.12134	0.7
211.13591	1.0
223.09738	5.5
241.10794	18.6
241.14511	1.0
242.11247	1.6
329.16086	1.3
357.84827	0.7
373.14987	8.2
373.18967	3.6
374.15195	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31288	0.5
52.59002	0.6
55.01875	0.8
57.03453	1.1
59.01379	100.0
60.01696	1.7
61.98823	1.2
67.01883	0.9
69.03471	1.3
69.29231	0.6
70.19553	2.3
71.01379	12.6
72.97538	1.2
72.99306	1.0
73.02946	3.3
74.99100	0.9
75.49293	0.5
80.96526	0.9
83.01379	1.7
83.05003	0.6
85.02950	6.4
87.00896	1.5
89.02457	5.7
90.98622	0.8
93.03442	3.2
95.01417	1.6
96.96012	0.9
97.02971	2.4
99.00876	1.5
101.02444	8.0
102.05610	22.1
107.05025	6.0
108.02195	1.4
111.00931	0.8
111.04524	1.4
113.02435	3.8
118.98109	0.8
119.03474	1.3
121.06616	0.9
122.03767	0.7
123.04526	4.1
123.08172	0.8
125.02470	2.5
127.05173	1.8
128.03540	23.5
133.02985	1.3
134.03719	0.9
135.04529	9.6
135.08167	1.6
136.01726	0.6
137.02449	1.2
139.07666	0.7
145.06200	10.6
145.09831	0.7
146.04591	67.6
148.04044	0.8
149.04576	0.8
149.06113	2.5
150.03250	1.5
151.04008	4.6
151.07643	7.2
152.04759	1.7
153.05611	1.5
159.03038	0.8
161.04524	4.3
167.03522	1.4
167.07166	1.0
167.10823	1.8
173.00334	0.6
173.04532	4.5
176.04024	7.1
178.02802	0.8
179.03535	4.2
181.05066	17.1
182.05505	1.7
189.12881	1.4
191.05606	15.1
193.05058	1.6
196.07387	14.5
197.07831	1.6
197.11862	0.8
209.11874	1.8
211.06169	11.0
211.09753	18.4
212.06476	1.1
212.10226	0.8
227.12979	1.1
240.68251	0.7
241.07179	4.6
241.10825	3.8
242.06761	1.1
277.11023	2.4
281.93085	0.6
319.59927	0.7
331.17770	2.4
351.07129	0.8
353.08783	1.3
373.11115	2.1
373.15005	2.2
373.18973	1.2
374.18655	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.6
59.01377	100.0
60.01709	1.5
63.21228	0.7
64.56584	0.6
69.69871	3.4
71.01362	3.8
73.02952	2.7
79.95757	0.8
83.01402	0.9
85.02943	2.8
86.81554	0.6
89.02442	2.8
96.23861	0.6
101.02460	2.3
113.02495	1.6
123.08196	2.6
135.04581	1.3
146.04614	0.7
149.04562	2.1
151.04018	2.2
161.04607	1.3
167.07219	1.0
179.10774	0.7
191.05663	2.0
193.05006	1.2
197.11858	2.5
207.98489	0.8
241.10806	5.3
245.98897	0.7
281.05841	0.7
282.06415	1.1
297.08853	2.2
329.11493	1.9
331.17737	0.8
373.15009	1.8
373.18927	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58049	0.7
55.01889	0.8
57.03445	2.1
59.01381	100.0
60.01722	1.2
67.01901	0.8
69.03458	1.5
69.18182	8.4
71.01388	8.2
72.97527	0.7
72.99323	2.1
73.02950	5.7
75.54639	0.9
83.01381	1.2
85.02956	8.4
87.00866	1.4
87.04498	1.2
89.02450	3.5
97.02969	2.1
98.81021	0.7
99.00880	0.9
99.04507	1.7
101.02442	10.2
103.00478	0.8
103.04040	0.8
113.02464	4.2
135.04527	2.5
135.49687	0.7
137.09711	1.8
145.01433	3.9
149.04587	7.5
159.02992	0.7
161.04556	3.3
162.03168	0.9
176.03995	3.0
179.10777	1.4
181.08693	1.8
191.05568	3.6
197.11801	14.1
207.13875	2.1
209.11826	2.8
225.14880	1.8
227.12903	12.1
241.10831	15.0
241.14458	1.3
242.11017	1.5
269.13977	6.9
287.15012	17.2
288.15405	1.8
331.17606	10.3
332.18079	1.5
373.14832	7.9
373.18692	11.8
374.18860	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	373.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
58.00578	0.6
59.01379	100.0
60.01716	1.3
69.03460	1.2
71.01385	6.9
71.05005	0.7
71.52058	0.7
71.52448	0.9
73.02955	5.2
73.14330	0.6
75.36140	0.7
81.03458	0.9
83.05022	0.7
85.02964	2.3
89.02447	3.3
93.03469	1.0
99.00853	0.8
101.02450	5.0
108.02151	1.0
113.02473	2.1
115.04024	0.7
116.33563	0.6
119.03522	1.3
120.88905	0.6
123.04572	0.8
131.03537	0.9
135.11824	2.2
137.09723	1.4
143.03476	0.7
149.04552	2.3
161.04697	0.8
164.04813	0.9
167.10802	2.6
173.04591	2.5
176.04152	0.7
178.02763	1.0
179.03586	0.7
179.07162	1.2
179.10773	9.9
179.12271	0.9
180.11198	0.8
191.05560	0.7
193.05136	2.0
197.11829	17.5
198.12280	1.0
209.11894	0.6
223.09746	6.7
241.10820	22.7
241.14572	1.3
242.11179	2.2
242.15465	0.7
329.15881	0.8
331.17758	0.9
343.11890	0.7
369.53424	0.6
373.15082	7.9
373.18951	2.5
374.15540	0.8
393.80945	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
59.01378	100.0
60.01708	1.9
69.00739	0.8
69.03456	1.6
70.19271	1.5
71.01368	4.9
73.02937	4.5
74.35103	0.7
83.01389	0.8
83.05015	1.2
85.02944	1.6
87.00906	1.1
89.02443	8.2
93.03484	1.5
93.67172	0.7
95.05056	0.8
98.20628	1.3
99.04532	2.0
101.02449	3.2
101.34322	0.8
103.03980	1.7
104.05090	0.8
111.00926	0.8
113.02463	2.0
119.03464	0.9
119.08684	1.6
122.06136	3.1
132.04552	8.5
135.11801	0.7
137.09669	4.3
140.59192	0.7
145.01401	3.3
149.03355	1.7
149.04550	32.0
150.04912	1.8
152.07175	8.3
159.59267	0.7
161.02484	1.0
161.04520	1.5
163.03928	0.8
163.07628	1.3
179.10709	1.8
179.98816	1.1
180.99640	3.1
181.08675	8.1
195.01251	2.0
196.01982	2.9
197.11812	38.4
198.12141	3.0
199.13368	2.7
207.16463	0.7
211.04320	7.1
219.53477	0.7
223.09724	0.7
229.88464	0.7
241.10815	33.6
241.14558	1.8
242.11168	4.1
273.12558	1.0
282.06207	0.8
297.09308	0.8
297.12488	2.3
313.11230	0.8
329.11136	0.9
331.17715	2.2
341.11444	7.4
342.11856	1.2
373.14948	29.8
374.15350	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	373.1658
Annotation	CHEBI:68167
Peak:m/z	Relative Intensity
57.03445	2.1
58.06183	0.8
58.61837	0.9
59.01386	5.6
60.80300	0.9
70.53143	3.0
71.01390	2.3
72.01591	0.8
73.02941	1.8
79.95741	9.5
83.05011	4.5
85.02977	1.1
87.00908	1.2
95.05035	1.2
97.06585	3.3
109.02956	2.2
111.04545	1.5
119.04987	1.6
122.03752	1.2
125.02409	1.2
129.96243	1.0
135.04492	2.0
145.02934	2.5
147.04497	1.2
149.06116	2.3
149.76686	1.0
157.06610	2.6
158.03693	1.2
159.04390	1.7
160.05193	1.2
161.06015	1.2
163.04015	3.2
163.07602	1.0
164.71779	1.1
171.04503	3.7
172.05273	5.2
173.02444	1.1
173.06076	13.2
174.06770	2.9
177.05574	1.7
178.06299	1.7
184.05299	1.2
185.06102	10.4
186.06827	1.8
187.03989	3.4
187.07605	2.1
188.04663	1.5
188.08345	2.0
189.05510	1.3
189.09163	2.6
197.06039	1.2
197.09651	1.3
198.06747	1.8
199.07611	9.4
200.04721	2.3
200.08134	1.7
201.05592	17.3
201.09183	1.7
202.06187	3.3
203.07132	2.4
203.10634	1.1
209.06073	1.2
211.07626	1.3
212.08179	1.2
213.05515	1.3
213.09216	8.0
214.09883	3.5
215.07127	5.0
215.10730	6.5
217.08765	1.1
225.09196	2.6
226.09953	1.5
227.07080	2.8
227.10678	1.9
227.14378	1.5
228.04193	1.6
228.07808	2.9
228.11459	2.2
229.05109	1.7
229.08626	4.3
229.12193	1.3
230.05705	1.9
230.09380	1.4
231.10220	2.1
232.11038	1.3
233.11716	1.0
239.07236	1.3
239.10680	1.8
240.11537	1.4
241.08699	5.0
242.09453	2.9
243.06587	2.2
243.10225	4.1
243.13878	1.3
253.12183	1.3
254.13075	1.0
255.10239	1.2
255.13779	5.8
256.11008	2.0
257.08197	4.6
257.11728	2.0
257.15344	1.5
258.01987	4.2
258.08871	3.3
259.09695	3.2
262.12262	1.4
265.59140	1.0
269.08142	6.2
270.08923	3.5
271.09387	1.3
271.13477	4.9
272.13715	1.1
273.15094	1.3
281.11826	1.9
283.13419	1.9
285.07782	1.1
285.11255	1.7
287.12912	2.8
288.13486	2.1
299.12906	17.4
299.16254	1.6
300.13477	3.9
300.16562	1.1
312.46268	1.2
313.10617	1.8
314.11627	1.6
314.15204	2.0
315.12317	4.9
316.13184	3.8
317.13950	2.7
327.12515	1.7
329.17645	6.1
330.14957	1.7
343.11832	14.2
343.15585	3.7
344.12589	19.4
344.22189	1.9
345.13000	2.4
345.17148	2.9
355.15546	2.6
358.06046	0.9
358.13751	1.0
373.09842	4.7
373.16537	100.0
374.09885	1.4
374.16879	13.4
374.23447	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	373.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.2
59.01380	100.0
60.01704	1.7
60.13623	0.9
67.05520	0.8
69.03456	2.6
69.14931	8.0
71.01384	4.5
71.05019	0.9
73.02936	4.7
73.44798	0.8
83.05022	1.4
85.02937	1.5
87.00890	1.8
89.02442	10.3
99.04529	2.6
101.02442	1.5
103.03996	3.4
119.08670	2.1
131.03502	2.1
135.08147	1.0
137.09718	6.4
145.01511	1.2
149.04555	49.3
150.04903	1.8
163.07645	1.2
179.10770	2.8
181.08719	11.4
196.01985	1.0
197.11829	57.7
198.12164	4.2
211.04385	1.8
223.09746	2.3
241.10812	40.5
242.11128	4.2
245.16637	0.8
373.15002	41.5
374.15375	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	373.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21287	1.3
55.82337	1.4
59.01380	9.4
61.98820	2.2
68.42989	1.4
68.99816	3.8
69.03440	1.3
69.28797	10.2
69.29215	3.0
93.03463	2.4
96.96007	3.2
97.02952	2.3
99.04515	100.0
100.04853	3.5
100.61522	1.7
103.03294	1.5
105.07104	1.5
121.02963	2.1
123.08138	1.5
130.04213	1.8
131.05020	3.6
133.02956	2.1
133.06596	2.7
135.04491	2.6
141.07024	2.6
143.05016	2.0
145.06538	1.5
157.06578	4.1
159.08147	5.9
161.02415	2.0
163.03993	4.1
169.06654	2.3
171.04483	3.5
172.05289	3.0
175.04016	2.9
177.05547	3.0
183.08163	1.9
185.06018	5.4
185.09651	2.7
186.06763	3.9
187.07643	12.1
189.01968	3.5
193.01468	1.8
201.09169	2.5
211.07677	6.5
213.05551	1.7
214.06360	2.0
216.04123	1.7
229.08673	37.3
230.08958	4.1
231.29747	1.7
232.10928	4.9
271.82028	1.7
273.07681	27.2
274.08063	3.1
295.73215	1.5
312.99728	2.1
328.02072	5.5
343.04501	7.7
358.06775	7.6
373.09134	8.2
373.16553	3.9
373.20224	2.9
373.24091	2.7
374.24481	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.3163
Annotation	CHEBI:79298
Peak:m/z	Relative Intensity
52.27893	0.7
55.37987	0.7
59.01378	100.0
60.01717	2.0
60.99318	0.9
62.59641	0.7
64.38314	0.8
71.52110	1.1
117.59364	0.8
130.75804	0.7
135.02763	0.8
163.21680	0.6
169.31047	0.7
220.02605	0.8
266.51862	0.8
293.28458	1.5
307.30151	1.0
309.28012	0.8
311.29651	2.6
353.30481	2.2
371.31625	83.9
372.27289	1.2
372.31937	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	373.1139
Annotation	Citrifoside
Peak:m/z	Relative Intensity
58.00596	0.9
59.01379	26.5
61.98820	1.9
63.24629	0.5
68.49946	0.6
70.70201	0.9
70.70531	1.2
71.01385	11.6
79.87089	0.5
83.97209	0.6
85.02960	2.9
89.02445	11.8
95.01410	1.0
98.19910	0.6
101.02433	7.1
102.05614	0.6
108.02180	10.3
109.02957	1.3
111.00866	0.8
113.02449	4.7
119.03506	6.0
121.02967	0.9
122.03714	2.1
123.00888	4.3
123.04529	5.8
124.01693	3.2
133.02902	0.7
136.01692	1.5
137.06108	1.3
148.01755	0.7
149.02412	2.5
150.03210	9.9
151.00333	0.9
151.03772	1.1
165.05531	2.6
177.01923	2.3
178.02708	45.5
179.03117	3.1
193.05051	100.0
194.05397	6.6
208.85442	0.6
211.06035	1.8
239.91518	0.7
265.39819	0.6
373.11435	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	373.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19512	0.9
57.03440	1.0
59.01378	33.8
67.01891	9.9
69.03454	2.4
69.77390	1.4
69.77795	3.9
71.01375	3.6
72.97543	1.8
73.02944	2.8
74.99085	1.7
79.72269	0.9
79.95731	1.3
80.96510	1.6
81.03446	1.8
85.02949	4.4
87.00867	1.3
89.02454	1.6
93.03461	4.5
95.01391	4.0
96.96001	4.4
98.19916	1.1
101.02431	2.8
102.05603	31.8
104.36956	0.9
107.01391	4.8
108.02184	19.6
109.02982	2.6
111.00872	4.8
113.02477	1.5
121.02998	1.0
122.03732	3.7
123.00880	5.4
123.04525	69.0
123.08125	2.1
124.04854	3.2
125.02423	2.9
127.05119	2.0
128.03534	26.4
131.03485	1.7
133.02957	1.6
134.03751	4.8
135.04547	8.1
135.08083	1.4
137.02448	5.4
137.99512	1.5
138.03204	1.8
139.00371	4.8
145.06168	9.9
146.04590	85.2
149.04570	2.0
149.05989	1.0
150.06441	1.3
151.04044	8.0
151.07623	1.8
152.01079	1.3
154.01665	1.1
155.03493	1.0
166.02710	7.3
167.03494	21.1
168.03851	1.3
173.04524	3.6
176.04036	11.3
179.03502	7.4
179.10812	1.7
182.05835	3.0
189.12814	3.0
191.05606	20.0
197.08217	2.7
208.11093	1.5
209.11847	7.7
210.12082	5.2
211.12347	5.3
223.09761	1.7
241.07158	100.0
242.07527	6.8
277.10803	3.0
309.07834	1.0
325.10886	1.4
353.08997	1.1
357.70157	1.0
373.11066	6.0
373.14658	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83757	1.5
58.91683	1.5
59.01077	2.1
59.01379	39.6
60.05109	1.4
71.01361	2.0
74.21144	1.5
78.95895	2.9
160.59164	1.4
163.30063	1.6
195.36794	1.4
230.05280	1.7
285.43362	1.5
287.27979	1.4
291.26810	3.8
309.27979	33.8
310.28397	4.3
311.22903	1.1
311.25900	75.7
312.26074	8.7
353.26932	13.0
371.28012	100.0
372.28326	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	371.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.1
61.90586	1.0
61.98819	1.4
69.03457	3.4
69.55212	7.0
73.02946	9.0
80.02675	5.2
81.03455	2.3
83.05005	2.2
93.03461	1.2
95.05022	36.0
96.05373	1.2
107.05030	5.3
107.08704	2.5
108.92595	0.9
109.06590	7.5
120.05807	2.1
121.06574	4.2
126.45606	1.0
131.03535	2.0
134.45642	0.8
145.10246	1.9
161.09698	2.2
163.11282	62.8
164.11603	4.4
190.05193	0.9
195.13887	2.9
207.10243	42.3
208.10559	4.0
208.96631	1.0
225.11307	100.0
226.11594	8.5
239.12895	25.9
240.13226	2.2
281.57803	1.3
283.22797	1.0
302.91696	1.0
343.15536	2.6
371.15027	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
59.01351	1.2
69.03443	2.2
70.84368	1.4
73.02908	1.3
74.80912	0.6
74.99088	1.1
77.53252	0.6
79.12272	0.5
80.21144	0.7
83.19019	0.7
87.04507	1.8
94.04276	0.7
95.05029	7.6
96.05367	0.6
112.38293	0.6
131.03471	2.1
136.99171	0.6
163.11290	15.6
164.11688	0.8
193.03410	0.8
195.13901	11.2
197.98407	0.5
207.10246	6.1
225.11299	0.7
239.12878	100.0
240.13228	9.4
263.77423	0.6
371.17310	1.2
372.18030	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	9.9
59.01377	9.6
67.56350	2.0
69.03459	4.3
69.22063	20.2
71.01374	5.9
73.02945	5.6
79.95731	2.2
87.04543	4.5
88.72943	1.9
89.02438	11.6
92.45254	1.9
94.04230	15.0
95.05035	3.7
98.19916	3.6
103.03987	3.4
107.08669	10.1
131.03462	2.2
133.97269	2.0
145.10197	3.5
149.04543	57.7
150.04922	3.3
155.98042	1.9
161.09650	3.4
163.11269	38.7
164.07182	3.6
164.11577	2.7
195.13905	33.8
207.10234	4.1
215.07118	2.7
225.11320	5.8
229.08667	2.3
239.12880	100.0
240.13171	9.6
274.08029	2.3
284.12793	2.2
330.92859	2.1
371.12137	4.3
371.18387	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	371.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
57.03435	1.5
58.00585	1.8
59.01379	100.0
60.01714	1.0
62.67822	0.5
69.03477	0.9
69.73454	3.7
71.01379	22.1
72.01727	0.7
72.99306	1.1
73.02942	10.2
73.03317	1.1
75.00879	0.9
83.01391	4.2
84.02178	2.4
85.02949	11.3
86.00094	15.5
87.00874	32.6
88.01189	0.8
89.02456	1.7
95.01401	1.4
99.00891	3.6
101.02438	13.9
111.00892	1.2
113.02452	7.7
117.05507	0.6
124.07017	0.7
129.01950	0.9
143.03592	1.1
151.11333	1.5
153.09128	0.7
159.03026	1.4
161.04567	6.9
165.09238	2.5
167.10759	9.0
167.25293	0.7
179.10774	0.9
181.12303	5.5
203.05661	0.9
209.11900	1.3
239.12875	20.7
240.13251	2.2
267.06290	0.6
272.14795	0.8
311.15039	1.2
329.16037	18.8
329.19827	1.0
330.16415	2.5
371.17178	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.9
61.98834	0.9
70.43790	2.5
71.01385	0.7
81.78210	0.9
82.65719	0.6
84.25006	0.7
87.00877	9.7
93.32111	0.6
95.23570	0.6
100.74755	0.6
116.94966	0.7
117.65398	0.8
140.68065	0.7
169.99834	0.7
223.20598	2.0
249.22148	0.9
265.25412	1.9
267.77881	0.7
274.12268	1.0
283.22784	8.3
284.23190	1.7
309.24341	100.0
310.24667	12.7
313.97626	0.8
343.77771	0.7
371.18188	0.9
371.24533	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	371.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.5
59.01377	3.8
59.84764	0.5
60.85117	0.4
64.82681	0.5
66.44691	0.4
69.42574	2.5
69.42982	1.0
71.01377	4.4
72.99307	0.4
73.02944	1.3
83.01376	0.6
85.02952	2.4
87.00871	0.8
89.02456	1.0
98.20658	0.6
99.00887	0.9
101.02443	2.5
113.02425	2.1
121.02988	2.6
122.03741	29.2
123.04098	1.6
132.03539	0.4
134.03725	2.3
135.04552	1.1
136.05305	0.7
137.06033	0.5
148.05299	0.7
149.06073	24.0
150.06573	1.6
151.00287	0.6
151.07639	3.4
152.01151	6.3
159.02957	0.7
161.04579	1.4
161.29424	0.4
163.07562	3.1
164.04832	0.5
165.05556	0.6
167.03491	7.0
175.07674	0.5
176.08414	0.4
191.10739	4.6
193.08739	0.9
194.09363	2.4
195.10254	1.5
207.10210	3.0
208.11034	33.8
209.11806	100.0
210.12173	8.1
223.09723	1.1
229.12546	0.4
371.09854	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09291	0.3
59.01378	10.5
65.53613	0.3
68.52052	0.3
69.58308	1.6
71.01372	1.3
72.99339	0.4
73.02955	0.4
74.99089	0.3
77.24278	0.3
85.02962	0.8
87.00875	0.7
88.50755	0.3
89.02453	0.7
95.01361	0.3
96.96021	0.5
101.02459	0.9
113.02462	0.5
121.02966	4.5
121.44827	0.3
122.03763	0.7
123.00869	1.4
124.01686	1.5
140.29445	0.3
149.06105	0.6
151.00365	3.2
152.01157	94.0
153.01479	4.8
166.02672	1.4
167.03499	100.0
168.03821	5.3
182.74750	0.3
208.11014	1.5
209.04524	0.4
209.11829	4.3
253.24097	0.3
277.10895	0.3
292.22375	0.3
329.08817	0.6
371.09729	12.9
371.17215	0.9
372.09995	1.6
372.16077	0.4
390.95691	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38646	0.5
52.96607	0.5
55.01883	0.7
55.33572	0.5
57.03453	1.4
57.31031	0.5
58.14252	0.5
59.01381	12.4
66.10782	0.6
69.27096	4.8
71.01383	8.4
73.02943	1.3
74.99086	0.8
79.95705	0.9
83.01347	1.3
85.02956	4.0
87.00866	1.2
89.02459	5.8
95.01396	0.8
96.96013	2.7
97.02956	0.8
99.00873	0.6
101.02422	4.8
109.02937	0.6
111.04516	0.7
113.02458	4.1
119.03506	2.1
121.02971	2.1
122.03739	25.9
123.04099	1.6
125.02448	14.4
134.03731	2.3
135.04503	0.7
137.05986	0.7
139.03983	0.9
141.67302	0.5
149.02448	1.4
149.06076	22.6
150.06644	0.9
151.00362	1.1
151.07677	3.2
151.99977	1.0
152.01152	9.7
161.04576	2.0
162.67828	0.5
163.07652	2.9
166.02615	0.9
167.03502	11.5
176.08426	1.0
179.10690	1.0
180.39607	0.5
191.10733	3.9
193.08626	1.2
194.09459	1.9
195.10234	1.2
207.10254	2.4
208.11043	32.0
209.04510	2.4
209.11810	100.0
210.12158	6.9
223.09782	2.5
233.04439	0.8
251.12726	0.6
269.12122	1.3
358.64679	0.5
371.09109	4.2
371.13882	5.9
371.17563	1.1
372.13922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03437	4.0
58.00602	0.9
59.01377	40.1
67.01875	1.1
68.99262	0.8
68.99803	1.2
69.03433	1.6
69.79592	1.0
70.37852	3.3
71.01382	20.8
72.99316	7.3
73.02934	3.7
74.02491	0.9
74.99068	1.4
75.00471	1.3
75.00867	19.7
78.65732	0.9
81.03448	1.4
83.01369	2.5
83.05034	1.2
85.02944	23.7
87.00880	8.3
89.02445	7.3
93.03439	3.2
95.01383	6.6
96.95997	1.5
97.02943	1.4
98.02448	1.0
99.00877	10.9
99.04514	14.8
101.02443	3.0
103.00365	1.9
108.02148	1.1
111.04567	1.0
111.35847	0.8
111.64764	0.8
113.02447	27.5
113.06059	1.0
115.00351	2.1
117.01896	3.1
121.02952	100.0
122.03267	4.9
129.01923	2.2
136.05309	4.0
137.06042	2.7
143.03465	5.4
143.10759	2.1
143.11774	1.1
144.06604	1.2
149.06041	1.2
165.05539	3.2
167.03468	1.0
170.36469	0.9
175.02435	3.3
186.20265	0.9
204.08714	1.0
209.02698	1.3
209.04536	12.6
209.08246	1.0
209.11888	1.6
231.05139	8.3
239.09169	1.4
249.06128	69.0
250.06558	4.9
253.04054	1.1
277.10815	1.5
279.00861	0.9
352.51425	1.0
353.08578	1.3
371.09760	46.9
371.23471	2.1
372.10214	5.2
372.20270	2.8
391.83368	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2198
Annotation	Aspidocarpine
Peak:m/z	Relative Intensity
53.32423	0.6
59.01366	0.4
59.27252	0.4
63.98727	0.5
78.95905	100.0
84.13631	0.4
95.96184	1.5
96.96964	44.5
100.03414	0.5
113.25546	0.5
149.00089	0.5
208.17886	0.5
211.32449	0.4
272.40735	0.5
295.77591	0.5
313.57361	0.5
368.76559	0.6
369.21988	26.3
370.22339	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	371.0769
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
55.01889	0.1
56.74221	0.1
57.34148	0.2
59.01364	0.2
69.97939	0.2
70.53487	0.2
70.53812	0.3
74.52967	0.2
75.21508	0.2
77.04000	0.2
80.41515	0.2
91.25896	0.2
93.03475	0.2
98.20671	0.2
105.03442	0.2
120.02087	0.2
121.02956	100.0
122.03287	4.2
135.04529	0.2
143.44496	0.2
149.02426	0.6
151.03940	0.3
175.99303	0.2
179.03491	10.4
180.03850	0.4
181.06567	0.6
219.45171	0.2
225.05600	0.6
239.07109	0.4
280.62762	0.2
283.06268	0.4
304.78903	0.2
315.46213	0.2
371.07703	10.1
372.08173	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49973	0.3
57.64154	0.3
59.01366	0.4
61.43146	0.3
64.05585	0.3
70.84902	0.7
79.97375	0.3
87.20604	0.3
96.95993	0.3
112.46210	0.3
116.92868	0.8
120.99654	9.2
121.02935	0.4
122.03741	0.5
145.07985	0.3
149.06068	0.9
153.00182	0.3
154.00949	6.1
162.06767	0.3
167.01619	0.5
168.02425	0.5
181.03267	4.8
182.04111	3.0
195.04781	0.7
196.05637	0.4
207.04727	0.4
214.03032	0.6
222.07193	0.7
256.23306	0.3
266.09903	0.4
271.13263	0.4
274.08316	0.4
281.12155	100.0
282.12500	11.1
289.10770	0.7
326.13937	0.7
369.06226	0.7
369.13879	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15465	1.2
59.01378	9.5
59.86629	1.3
62.09304	1.4
71.01379	2.7
71.52278	2.0
73.02942	3.6
82.52090	1.2
83.04929	1.3
92.08384	1.2
100.80262	1.2
101.02399	1.9
120.99610	2.0
135.02939	2.3
161.09709	1.8
164.34013	1.6
165.09201	100.0
166.09512	6.5
190.68190	1.2
207.10178	3.4
219.10219	1.6
237.11263	1.4
267.10583	1.7
281.12119	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	369.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98390	0.3
68.61513	0.4
69.67060	1.6
69.67468	0.8
71.05003	0.4
74.99080	1.0
78.61600	0.3
98.22059	0.3
116.01257	0.3
116.90728	0.4
120.99656	18.9
136.99123	0.3
137.02426	1.0
148.05276	1.3
149.04599	0.6
149.06033	1.5
153.00134	1.2
154.00964	2.9
165.09235	0.6
167.01724	2.4
168.99626	1.1
181.03302	5.0
182.04066	12.2
183.04381	0.9
189.09189	0.9
196.01930	0.8
197.02873	0.9
199.00708	0.9
205.06946	1.1
207.04913	0.5
208.05563	0.8
214.03056	3.9
222.07143	1.4
223.07939	1.2
237.11446	0.6
237.15022	0.6
263.10944	0.5
281.12152	100.0
282.12488	9.6
332.09616	0.4
369.13797	1.4
369.18271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
67.82863	0.2
70.31687	0.3
70.32038	0.5
95.13905	0.2
115.92125	0.2
116.92865	0.7
118.02379	0.2
120.99654	100.0
122.00029	1.9
158.93848	0.2
224.12218	0.2
281.12030	0.2
284.95786	0.2
309.20697	0.2
314.52338	0.2
327.21759	1.2
338.25778	0.2
354.07706	0.3
369.13736	4.9
369.22910	0.3
370.14108	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.4
59.01391	0.5
61.98822	0.5
66.49895	0.3
69.03452	0.5
70.02617	0.4
71.52050	0.5
77.00185	0.3
98.98007	0.4
116.82339	0.4
121.00237	0.4
123.30553	0.4
159.47174	0.4
258.80734	0.4
277.54413	0.4
305.28555	1.2
307.30048	28.6
308.30423	3.5
321.31586	19.0
322.31891	2.9
349.31131	1.5
367.32129	100.0
368.32480	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	369.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51883	1.0
57.03444	1.1
65.95301	0.9
69.03445	6.4
69.15646	5.3
69.16083	3.9
83.05027	2.3
90.98597	53.6
93.07098	1.0
95.05032	1.0
97.03027	1.1
105.07106	1.2
107.05003	2.6
107.08655	2.1
111.64616	0.9
120.05760	1.1
121.06556	1.1
125.02363	1.0
128.12233	1.1
133.10223	1.9
135.08124	2.6
145.10295	1.1
149.06128	1.3
151.07639	10.7
166.37439	1.0
169.10255	1.4
171.11813	8.3
173.09695	3.6
174.10405	1.0
187.11299	3.9
189.12848	38.8
190.13188	2.7
197.76291	0.9
207.10196	1.8
215.10738	2.8
233.11809	16.4
277.10800	100.0
278.11203	10.1
369.10141	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49973	0.3
57.64154	0.3
59.01366	0.4
61.43146	0.3
64.05585	0.3
70.84902	0.7
79.97375	0.3
87.20604	0.3
96.95993	0.3
112.46210	0.3
116.92868	0.8
120.99654	9.2
121.02935	0.4
122.03741	0.5
145.07985	0.3
149.06068	0.9
153.00182	0.3
154.00949	6.1
162.06767	0.3
167.01619	0.5
168.02425	0.5
181.03267	4.8
182.04111	3.0
195.04781	0.7
196.05637	0.4
207.04727	0.4
214.03032	0.6
222.07193	0.7
256.23306	0.3
266.09903	0.4
271.13263	0.4
274.08316	0.4
281.12155	100.0
282.12500	11.1
289.10770	0.7
326.13937	0.7
369.06226	0.7
369.13879	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2126
Annotation	Spirocardin B
Peak:m/z	Relative Intensity
57.03448	11.3
59.01379	72.8
60.01723	1.8
69.03450	1.7
69.28607	3.7
69.29025	5.2
71.05018	2.4
73.02932	5.7
83.05022	3.9
85.02959	3.0
93.03471	1.6
93.07089	1.2
96.95991	6.6
97.02940	1.4
97.06596	2.7
98.20676	1.9
107.08661	2.5
109.06623	1.1
111.08125	2.7
119.47578	0.9
120.99686	1.5
126.03532	0.9
127.84840	1.0
128.21814	0.9
133.10211	2.9
143.21501	1.1
149.13376	2.2
169.08289	0.9
183.01074	1.2
185.05905	1.1
189.16452	4.6
191.05606	1.2
201.16469	1.1
203.14372	2.4
217.15959	2.9
219.17453	3.1
227.18018	2.9
233.15410	9.8
234.15656	1.4
235.13400	1.7
235.16905	2.8
243.17555	2.2
245.19089	4.7
251.16530	12.9
252.16759	1.5
261.18634	1.6
263.16504	4.0
271.16940	2.1
279.10620	5.5
280.11276	1.9
281.17609	3.7
289.18112	15.0
290.18561	1.4
307.19135	39.6
308.19482	6.9
325.20178	100.0
326.20541	11.8
349.19965	1.8
367.17383	1.6
367.21320	27.3
368.21387	4.2
388.22781	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.264
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
51.70620	0.5
55.62951	0.4
58.45053	0.5
59.01348	0.5
61.98829	0.7
69.79540	2.7
98.19910	1.0
113.51984	0.5
133.06602	10.1
149.09715	84.1
150.10033	4.5
194.09445	0.8
205.15962	47.7
206.16289	4.4
290.94394	0.6
295.17023	3.1
300.13101	0.5
328.16745	1.9
367.26404	100.0
368.26746	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	367.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67810	0.4
61.86869	0.6
62.41473	0.4
65.59293	0.4
69.13519	0.5
70.57822	1.0
70.58201	1.2
98.20563	0.6
112.23959	0.5
121.14160	0.5
133.06590	2.1
149.09712	79.8
150.10068	5.0
162.35783	0.5
194.83769	0.5
204.01219	0.5
205.15961	83.2
206.16272	6.9
218.15840	0.6
284.68515	0.6
291.97763	0.5
367.26401	100.0
368.26740	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	367.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
63.58746	0.4
66.16121	0.3
71.52218	0.8
77.87202	0.4
87.04482	0.4
96.96013	1.4
107.12142	0.4
109.68846	0.5
120.99654	100.0
121.99975	1.6
134.03741	0.9
148.05293	2.4
163.07646	1.4
182.04033	0.4
193.05077	0.7
241.27379	0.4
281.12195	2.3
323.09595	0.4
327.86191	0.4
367.21457	0.4
394.26047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01717	1.6
60.99292	1.2
61.98842	1.8
67.01882	1.9
69.03470	1.4
69.97077	3.8
71.01390	6.7
73.02944	2.1
79.95746	1.7
80.96513	2.9
81.03439	1.0
82.96109	1.5
83.01400	0.9
85.02962	5.7
87.00889	3.9
89.02431	2.0
93.03453	16.4
94.96422	0.8
96.96004	1.1
98.20544	1.2
101.02424	4.4
101.93584	0.8
111.04528	3.0
113.02456	3.3
117.03481	1.7
119.03536	1.0
119.05019	5.7
134.02730	1.5
134.03745	23.8
135.04094	1.5
136.99120	1.1
149.06079	1.9
155.03513	1.8
161.04533	2.4
163.03947	2.7
173.04543	11.6
174.04916	1.4
191.05605	36.5
192.05978	1.9
193.05040	24.4
247.11864	1.4
265.12918	10.2
305.82159	0.9
307.13943	2.5
367.10339	3.7
367.14227	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	367.2125
Annotation	15-epi-Leopersin Q
Peak:m/z	Relative Intensity
52.06672	0.7
59.01270	34.1
59.01608	9.8
68.30861	0.6
69.03366	1.3
71.52881	1.0
72.99203	3.1
81.03327	2.7
83.04903	14.1
83.05431	1.6
87.04424	1.5
87.59212	0.8
95.04916	0.9
96.95882	2.9
97.02839	2.0
97.06461	4.3
101.94565	0.7
107.04921	1.2
110.03626	1.6
120.99580	1.2
125.05930	6.1
143.07054	1.5
145.68840	0.6
150.61247	0.7
153.12706	3.0
181.12325	3.6
189.39807	0.8
198.12660	3.4
199.13461	3.6
219.17403	2.8
230.11481	2.2
235.17020	1.5
245.18967	2.4
261.18472	1.2
263.12769	0.9
279.10614	5.9
280.10767	1.0
281.17426	0.8
289.18146	1.3
307.19153	25.8
308.19443	3.3
315.46121	0.8
319.19104	3.9
320.19321	1.2
325.20190	100.0
326.20551	12.9
337.20120	6.4
338.20203	1.2
367.21265	43.3
368.21667	6.0
378.62537	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	7.7
59.01382	100.0
61.19278	5.3
70.01038	22.7
100.75283	5.4
101.00548	5.3
110.67275	5.2
113.09733	9.9
154.65547	4.7
235.26828	5.5
293.21252	65.5
329.06824	5.7
349.26584	38.2
367.27548	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	367.1032
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
58.54689	0.4
59.01370	2.8
64.21757	0.4
70.33570	1.5
71.01375	1.1
83.05023	0.7
85.02969	0.9
87.00867	0.8
89.03979	2.0
93.03476	3.2
111.04497	3.2
117.03456	8.6
119.05121	0.5
134.03737	88.6
135.04071	4.5
149.06094	6.2
154.63213	0.5
155.03452	2.8
173.04527	4.8
191.05624	6.7
192.05841	0.5
193.05058	100.0
193.79323	0.6
194.05363	8.4
218.55995	0.4
275.74960	0.5
367.10370	5.7
368.10812	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1031
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
52.83216	0.8
57.03438	1.2
58.68476	0.7
59.01374	4.7
60.99286	2.8
67.01885	7.5
69.03436	2.4
69.42579	2.6
69.42999	3.1
71.01368	6.2
75.00861	0.8
75.92272	0.8
80.96501	2.4
81.03465	1.7
83.05010	2.2
85.02966	4.3
87.00879	6.2
93.03453	50.6
94.03803	1.8
98.20593	2.1
109.02912	1.2
111.04523	7.6
117.03442	2.9
125.27629	0.9
134.03732	33.3
134.05945	1.0
134.83405	0.8
137.02463	5.0
149.06082	2.1
155.03551	5.1
158.38600	1.0
173.04539	100.0
174.04861	5.2
191.05606	76.8
192.05933	3.3
193.05046	20.3
194.05331	1.0
248.69839	0.8
255.18608	0.9
367.10184	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	367.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.4
69.35925	0.5
69.87350	0.8
69.87761	2.0
83.05015	1.2
96.96015	2.8
109.03098	0.5
114.96968	0.5
120.99636	1.0
135.04527	0.9
136.05273	1.1
137.02478	0.8
137.04309	0.5
137.06062	1.5
147.04456	0.8
149.06039	1.5
151.02263	0.9
151.99373	0.6
152.02959	1.2
153.00073	0.6
153.03712	0.6
154.00925	3.5
161.06032	2.6
177.03642	0.8
177.12810	0.8
179.01714	3.5
180.02493	3.1
181.03275	6.1
182.04053	2.9
183.04831	1.2
193.03201	0.8
194.04051	5.0
195.04692	0.5
201.02733	0.5
205.12151	0.6
208.05637	0.6
218.41519	0.5
221.06406	6.9
227.10895	0.7
235.13374	3.4
251.11092	1.4
263.12875	10.0
264.08304	0.8
279.10580	100.0
280.10938	9.8
281.12067	1.0
307.19128	3.2
319.18887	1.5
325.16504	0.9
325.20206	10.8
326.20471	1.5
337.19223	2.0
367.12387	0.6
367.21164	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2696
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
51.44481	0.3
59.01368	0.7
67.26715	0.3
77.19773	0.3
95.88353	0.3
106.99030	0.3
137.06102	0.9
151.07764	0.4
161.11978	0.4
165.09215	0.8
174.94431	0.4
179.10706	0.5
179.14352	0.3
259.20667	0.6
261.15079	0.6
277.18076	0.5
303.27039	2.0
304.27255	0.6
329.24731	1.2
347.25900	100.0
348.26270	14.5
365.27017	19.5
366.27313	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.7
59.01358	3.8
69.03406	1.4
69.71548	5.0
69.71961	3.7
117.84292	1.5
129.29990	1.5
194.47295	1.3
197.19020	2.6
201.91025	1.7
211.20642	2.1
275.27362	7.0
291.26898	1.8
292.27182	1.3
305.28467	17.7
306.28854	2.0
307.67145	1.3
319.29987	10.3
321.28192	2.0
321.31577	8.6
365.25235	15.5
365.30548	100.0
366.30826	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	365.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06481	0.4
70.81630	0.8
81.07098	9.2
82.91808	0.4
83.05022	0.9
91.34874	0.4
91.91319	0.4
97.06595	0.6
101.40959	0.4
103.63436	0.4
112.64552	0.4
125.06084	100.0
126.06423	4.4
133.42334	0.4
155.71286	0.4
160.85020	0.4
167.31441	0.4
253.25398	0.6
265.25204	0.5
287.59293	0.5
300.19592	0.4
303.27252	0.8
303.30551	12.4
304.30975	1.6
317.28497	0.6
347.29434	4.6
348.29739	0.6
365.30542	13.4
366.30896	1.8
381.27850	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92482	0.5
57.03439	1.9
59.01377	9.2
60.99306	5.9
67.01523	0.8
67.01887	14.7
69.03450	4.9
69.82782	2.9
71.01379	6.2
73.02950	1.2
73.99356	0.5
74.02473	0.9
74.57969	0.6
79.95735	0.7
80.96496	1.0
81.03453	2.6
83.05025	2.9
85.02944	2.1
87.00872	22.3
91.01157	0.6
93.03456	100.0
94.03778	3.8
96.96013	1.8
97.02989	0.6
98.20642	0.7
99.00864	3.2
99.04515	2.0
101.02457	1.2
104.03526	5.8
111.04523	15.3
113.02444	3.4
115.04013	1.2
129.01921	3.1
134.03732	29.5
135.04095	1.2
137.02448	1.4
143.03499	0.8
149.06064	1.9
155.03500	3.6
173.04539	64.0
174.04877	3.2
178.02699	1.9
191.05600	3.4
193.05034	10.4
194.05402	0.7
307.17441	0.9
367.10327	36.6
367.17834	1.5
368.10574	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	365.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
66.10372	0.5
85.06590	3.2
96.97530	0.5
97.02445	0.5
98.19892	1.2
103.57041	0.5
178.42462	0.5
199.13388	2.7
200.30295	0.5
229.01707	0.7
251.20071	0.7
261.18692	1.1
279.19611	17.8
280.20013	1.7
347.25836	6.4
348.26242	1.0
363.25308	1.0
365.26938	100.0
366.27283	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.8
59.01389	1.3
69.03469	1.2
69.67899	0.9
69.68302	2.9
72.71449	0.6
83.05031	1.3
85.61326	0.7
97.06593	0.6
98.19970	0.7
237.22064	1.0
277.25406	2.4
281.24884	6.7
291.26852	1.1
303.27084	0.7
305.24896	2.2
319.26419	2.1
321.27966	35.2
322.28366	5.5
323.25897	6.6
336.77765	0.8
365.26947	100.0
366.27280	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	365.2694
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
50.05413	0.5
54.35776	0.6
54.88599	0.5
57.03424	0.6
59.01365	1.3
67.01859	0.6
69.03453	0.8
74.02470	3.3
74.30621	0.5
81.03420	0.8
83.05016	0.6
128.38443	0.6
154.55646	0.5
170.45427	0.6
172.01718	0.5
190.11446	0.6
251.23735	2.5
253.25299	1.3
261.22284	0.6
277.25290	0.9
279.23398	0.6
281.24844	6.6
282.25290	0.8
291.26913	1.9
292.26660	0.7
293.28503	3.5
301.25247	0.7
302.34308	0.5
303.26959	1.8
304.26541	0.8
310.15332	0.6
319.26428	2.1
321.27957	40.0
322.28207	5.8
323.25867	5.9
324.26462	0.7
336.25369	1.3
365.26926	100.0
366.27182	18.3
381.44196	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2693
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
53.39516	0.4
69.52776	2.3
75.04932	0.4
122.03654	0.5
137.06021	1.0
151.07590	0.5
157.13025	0.5
165.09102	1.8
179.10681	1.3
259.20551	0.5
303.26901	1.1
304.27356	0.6
329.24875	0.9
347.25885	100.0
348.26208	14.7
348.30423	0.9
365.26950	30.4
366.27274	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	365.233
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
55.53376	0.7
57.03445	4.2
59.01365	2.2
70.93070	0.7
80.96499	0.7
83.01383	5.8
94.42600	0.7
94.43410	0.7
119.44877	0.7
184.43289	0.7
202.83398	0.7
218.75362	0.7
237.22215	16.6
238.22568	2.7
251.20125	2.8
261.22125	1.9
263.20062	2.4
277.25204	2.9
279.23273	37.8
280.23642	4.2
281.21094	1.0
293.24734	1.9
297.24359	6.2
303.23276	2.9
305.21225	1.5
321.24332	51.8
322.24661	7.2
333.20691	39.9
334.21103	5.8
347.25800	1.4
365.23279	100.0
366.23624	14.7
373.97437	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80609	24.0
58.53710	26.5
59.01366	26.6
69.56070	39.8
69.56477	100.0
87.27254	18.6
138.21951	23.7
227.37512	22.4
374.72336	22.9
387.00000	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	365.2694
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
52.11634	0.7
57.03447	25.4
61.98829	3.5
65.84107	0.8
69.49124	5.7
81.03454	88.0
82.03803	2.2
83.01390	8.6
120.66897	0.8
125.02444	28.5
135.03304	0.7
195.26268	0.7
238.03722	0.7
279.26883	2.7
321.27872	1.6
323.25864	2.3
365.26926	100.0
366.27243	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	365.1968
Annotation	11-dehydro-TXB3
Peak:m/z	Relative Intensity
52.12101	0.8
56.03631	0.7
57.03432	1.6
59.01352	2.1
69.03455	1.5
69.37196	5.4
71.01360	1.1
83.85609	0.7
85.02938	2.4
98.20596	1.4
111.04521	1.5
112.98612	0.7
113.02437	3.0
131.60297	0.8
153.09212	1.0
195.10291	1.2
207.10173	1.3
212.15987	0.8
235.13358	6.3
235.16928	1.0
249.15071	1.1
259.20700	1.2
260.60571	0.7
273.18500	0.8
275.20099	2.4
285.18536	2.7
289.18088	1.7
293.21109	1.6
303.19608	4.0
304.19928	0.9
321.20740	1.3
333.16818	0.9
336.19266	2.8
347.18466	9.1
347.22183	0.9
348.18954	2.1
365.19635	100.0
365.23163	5.5
366.19949	13.8
366.23865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1969
Annotation	Chaparrolide
Peak:m/z	Relative Intensity
52.11938	0.8
59.01380	4.7
67.17563	0.8
71.52385	1.0
85.02952	1.0
90.51517	0.8
93.03390	0.9
96.96008	6.4
97.06610	1.2
106.04245	0.9
109.02945	5.5
137.02443	2.8
145.02959	1.1
149.67711	0.8
159.04535	1.0
166.48462	1.0
167.04950	1.0
179.52977	1.0
234.60585	0.9
242.21806	0.8
250.06395	1.0
251.07205	1.9
267.06732	2.4
268.07455	2.7
275.07220	1.9
275.20209	1.1
277.08551	1.3
289.18066	11.5
291.19699	2.5
299.61298	0.9
303.19617	16.6
304.19998	1.7
307.19016	0.9
319.19141	12.8
320.19315	1.6
321.20697	26.3
322.21091	4.2
323.18521	1.1
327.21625	1.4
335.18652	10.7
337.20245	2.4
365.14767	4.6
365.19678	100.0
366.19971	10.7
378.19730	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
59.01386	0.8
67.02448	0.4
69.22224	4.2
69.95953	0.4
79.95744	1.0
80.96522	1.3
82.78485	0.5
85.02953	100.0
85.77528	0.4
86.03286	2.4
96.96015	1.1
97.02976	0.7
98.20666	1.0
101.84622	0.5
104.59778	0.5
123.04529	1.1
147.08150	0.9
187.11275	1.1
191.97232	0.5
199.11278	1.4
205.12392	0.7
205.36975	0.5
217.12370	1.2
231.10213	0.6
243.10268	0.8
249.11444	2.1
261.11307	1.4
284.89566	0.5
285.04047	8.8
286.04126	1.2
318.85104	0.6
364.99988	0.5
365.09091	2.3
365.20004	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07268	0.9
59.01380	100.0
60.01736	1.4
70.48475	0.9
71.72363	1.0
80.41459	0.9
89.46754	0.9
90.01353	0.9
110.31284	0.9
218.82979	0.9
304.97052	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50168	0.7
57.03434	1.4
58.00599	4.9
59.01384	100.0
70.67364	2.8
71.01382	46.6
72.99302	3.0
73.02950	2.1
74.55028	0.9
78.59344	0.9
83.01393	3.6
85.02947	8.6
87.00893	2.0
89.02449	61.0
90.02784	1.1
90.52760	0.8
95.01396	4.0
99.00875	1.5
101.02441	37.4
101.03112	1.9
102.02827	1.2
113.01748	0.5
113.02450	19.7
119.03508	28.8
131.03497	2.4
135.48944	0.9
143.03473	1.4
146.48723	0.9
149.04536	1.3
149.52745	0.9
161.04553	2.2
179.05600	3.6
185.11812	6.6
188.59447	0.9
203.12865	2.9
365.18152	81.2
366.18533	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89769	0.5
55.01873	1.0
57.03435	1.3
58.00589	0.7
59.01381	37.4
68.35566	0.4
68.99806	0.5
71.01382	18.3
72.99303	1.6
73.02936	1.6
75.00826	0.7
75.37783	0.5
79.95729	1.1
80.96522	4.0
83.01380	2.0
85.02954	5.6
87.00876	1.5
89.02441	15.8
91.34175	0.5
95.01397	1.6
96.96016	6.2
98.19836	0.7
98.95589	8.2
98.96390	1.5
99.00877	1.0
99.04482	0.6
101.02442	13.1
103.05523	0.9
104.03532	1.9
113.02441	6.3
113.09733	1.3
115.02271	1.0
116.05082	0.8
119.03502	6.4
127.11279	1.7
130.04250	3.4
131.03543	0.6
131.04895	0.5
139.11313	0.7
141.09222	0.8
142.06624	11.2
143.03423	0.6
149.06042	1.5
152.96729	0.5
155.10799	3.1
157.12337	15.9
158.06143	1.3
158.12700	1.0
159.04509	29.0
160.04848	2.1
161.04503	0.7
165.76147	0.4
171.13826	1.1
185.11888	2.4
186.05630	5.5
187.13396	1.5
199.13428	2.2
203.03502	10.6
203.12874	48.5
204.03729	0.8
204.06665	3.2
204.13255	2.8
229.22522	0.6
233.13751	0.5
245.13956	1.2
273.72461	0.5
283.11694	0.6
321.10474	0.6
335.73859	0.5
339.02011	0.4
354.64285	0.5
365.07806	10.8
365.18143	100.0
366.07794	0.9
366.11926	7.9
366.18488	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	363.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17437	0.3
54.72100	0.4
59.01110	0.6
59.01381	8.8
59.37874	0.4
60.99299	0.5
67.52493	0.5
69.34273	2.9
101.06067	1.0
117.39688	0.4
118.91837	0.4
129.81062	0.4
140.41930	0.4
149.06129	0.6
162.06860	0.8
175.07542	0.7
190.09969	1.2
216.11447	0.7
217.12350	0.7
218.09476	0.8
231.13940	1.3
243.13727	0.7
259.16943	1.5
261.14975	0.5
279.38544	0.5
287.16397	0.5
289.18112	1.4
301.18060	1.5
301.21658	10.1
302.22150	1.7
303.19647	29.0
304.19958	4.0
317.21179	1.1
345.20715	4.1
346.21024	0.7
363.21756	100.0
364.22061	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	364.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06756	0.8
58.51003	0.8
59.01375	4.9
61.98829	100.0
70.78838	1.7
71.01382	1.8
71.35493	0.9
75.62043	0.8
79.95752	0.8
80.96526	3.8
85.02957	0.8
89.02447	1.0
94.73177	0.8
96.96011	5.0
101.02414	1.1
115.86167	0.9
117.03460	1.1
119.05025	1.1
135.04469	0.8
137.47433	1.0
139.04015	2.7
192.64267	0.8
350.34305	0.9
364.83685	0.8
365.05292	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	364.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01525	0.8
59.01380	23.2
61.98830	100.0
63.10629	0.8
71.01382	14.2
71.50391	1.2
72.01727	0.9
73.02936	1.5
77.69659	0.7
79.95728	3.6
80.77438	0.8
80.96523	8.5
83.01389	1.7
85.02949	3.8
87.00861	0.9
89.02444	13.3
93.03428	1.0
95.01378	1.7
96.96017	12.5
97.06573	1.0
99.00880	1.0
101.02440	7.4
101.83209	0.8
113.02458	5.4
119.03519	5.5
120.99631	0.8
143.03496	0.9
143.07121	1.3
148.41261	0.8
161.04541	3.1
179.05626	1.8
188.15982	0.8
203.12875	1.5
228.12621	0.8
263.02460	0.8
279.05429	1.1
364.11707	2.1
364.16110	1.6
365.05396	3.5
365.12909	2.5
365.18192	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.3
59.01378	14.5
67.01891	1.0
68.99825	1.3
70.11665	1.3
70.12063	1.5
70.52353	0.7
71.01376	12.2
72.99312	3.7
73.02962	1.4
75.00871	15.6
83.01362	1.0
84.81371	0.6
85.02953	15.9
87.00872	5.8
89.02446	2.9
93.03429	0.7
95.01371	3.5
96.95979	1.3
98.20570	1.0
99.00874	8.2
101.06093	1.9
103.00394	1.6
111.00865	0.8
113.02451	21.3
114.02747	0.9
115.00375	1.9
115.01209	0.6
115.07647	100.0
116.07954	3.8
117.01929	2.5
127.30613	0.7
129.01936	1.9
135.04613	0.8
137.34795	0.6
157.01433	0.9
163.04147	0.8
175.02470	2.3
203.07164	1.9
205.07184	0.9
231.05081	2.5
249.06158	15.0
249.08772	0.8
250.06534	0.7
267.07153	2.0
347.13443	2.3
365.14511	49.4
366.14822	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	365.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90236	1.8
57.03452	21.7
58.92684	1.7
62.53394	1.7
68.58781	1.9
68.82366	1.6
69.34164	4.5
69.34570	9.6
77.77004	1.6
79.26774	1.8
83.05021	1.8
85.02933	2.7
87.04516	100.0
88.04851	3.4
96.96007	6.7
97.92154	1.9
117.07066	3.3
129.07040	1.8
132.20125	1.6
133.06598	1.9
145.06584	10.9
157.06592	5.6
157.33757	1.6
158.07394	2.4
161.09698	3.2
163.07599	1.9
169.43756	1.8
171.08188	3.0
173.09697	11.0
185.06065	3.3
185.09668	3.1
197.09724	7.0
200.08456	3.4
203.10797	17.3
204.07822	2.6
215.10767	57.7
215.50719	1.6
216.11061	8.7
225.67963	1.7
233.11818	42.9
234.12149	3.3
259.09760	8.3
277.10779	4.9
365.19714	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	363.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
57.03447	15.9
59.01372	3.1
59.54553	1.1
64.54664	1.1
65.03939	1.3
69.03452	3.2
69.39723	9.9
71.01373	8.9
72.99305	2.4
81.03450	3.3
81.48510	1.5
83.05009	2.2
85.02947	100.0
86.03233	1.8
93.03442	2.1
95.01361	1.9
95.05008	4.3
96.95999	3.4
97.02937	5.7
98.20561	2.7
99.04531	8.5
107.05046	5.8
109.02927	1.4
109.06573	6.0
111.04502	3.3
117.07089	1.6
119.05008	2.3
121.06580	5.1
123.04517	4.3
125.02410	4.4
133.06560	4.8
135.04538	1.7
135.08157	7.3
137.06036	3.5
139.04004	4.0
141.05533	1.5
145.06604	9.7
147.04564	1.8
147.08159	3.3
149.06041	5.2
151.07622	3.8
153.05528	4.2
157.06560	8.1
158.07397	1.6
159.08058	3.0
161.06094	1.7
161.09645	2.6
165.05588	3.1
172.05269	2.9
172.08974	1.4
173.06081	2.4
173.09705	10.7
175.07603	5.7
177.09177	4.4
183.08119	1.6
185.06064	2.1
185.09680	4.1
187.02423	2.4
189.05539	8.7
189.09097	1.4
190.06151	2.6
191.07059	2.0
191.10724	1.2
193.08714	1.4
197.06244	1.4
197.09691	6.5
200.08330	1.5
201.09163	2.9
203.10751	11.8
204.07912	3.0
204.11038	1.5
215.10728	43.7
216.11115	3.0
219.10184	1.6
226.22403	1.3
229.12321	5.6
233.11798	27.4
234.12128	3.2
247.09772	2.0
259.09760	6.1
265.12201	1.7
277.10696	3.8
283.13397	4.8
295.08295	3.7
301.14337	3.2
345.13422	4.8
346.13800	1.4
363.14374	8.9
363.21582	1.4
364.14774	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40963	2.3
57.03441	15.5
59.01383	5.1
68.81070	2.9
69.37730	5.6
69.38135	13.9
81.03488	2.5
85.02953	100.0
85.03470	5.8
96.96012	9.2
114.31712	2.5
118.73510	2.1
120.62868	2.8
122.90293	2.3
145.06604	6.3
157.06580	5.0
159.04462	2.8
173.09724	9.6
176.04099	2.8
185.09737	4.7
197.09648	5.4
203.10802	12.6
215.10760	34.7
216.07840	2.5
216.11060	4.7
218.09532	3.0
233.11832	27.5
234.12149	4.1
259.09625	4.6
277.10727	3.9
301.91779	2.5
304.23706	2.6
319.19101	10.7
320.19531	2.8
363.17905	18.4
363.22012	13.7
364.18182	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	363.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	12.7
58.60824	1.1
59.01398	1.7
64.79391	1.1
67.04678	1.1
70.13155	3.7
77.34293	1.2
85.02950	100.0
86.03296	2.0
96.96008	1.4
99.21415	1.0
117.07127	1.6
121.06548	2.0
121.84765	1.1
132.68826	1.2
133.06557	2.0
145.06621	6.7
157.06607	7.4
161.09772	1.7
163.07651	1.6
171.08109	1.7
172.08928	2.3
173.09679	11.4
182.07381	1.3
185.06012	2.5
185.09628	3.5
188.01317	1.2
195.18906	1.3
197.09648	7.4
200.08408	2.4
203.10744	13.8
204.11053	1.6
215.10757	42.6
215.12830	2.4
215.15068	1.3
216.11067	3.3
233.11807	24.8
234.12140	3.6
247.09872	2.4
259.09818	5.6
277.10803	3.3
363.21664	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.1
57.03439	6.5
59.01379	74.6
60.83859	2.6
61.98822	3.4
63.26106	2.2
71.01369	54.7
71.01717	3.6
72.99311	9.3
73.02950	7.0
75.00873	41.9
79.95756	3.6
80.96513	8.7
81.03487	2.6
82.03001	3.4
83.01395	5.1
85.02953	56.2
86.03316	2.6
87.00875	17.0
89.02464	23.5
94.71835	3.1
95.01400	9.9
95.05032	3.8
96.96026	9.9
99.00885	21.3
99.04460	2.3
101.02425	13.4
102.02834	2.5
103.00380	3.8
109.60117	2.5
111.00912	3.1
113.02449	68.4
113.06089	81.7
115.00349	5.4
117.01943	7.3
119.03474	3.2
120.99700	3.4
127.68739	2.5
129.01958	4.9
138.56827	2.5
149.04578	2.5
164.03551	3.4
167.27365	2.6
175.02452	5.2
176.88637	2.7
183.10172	2.9
187.86443	2.6
196.06206	3.4
205.07150	2.8
231.05098	6.0
231.12181	2.7
249.06171	63.0
267.07211	100.0
268.07617	7.1
287.10428	8.0
303.14554	4.3
321.15561	8.9
363.12952	97.3
363.16861	9.5
363.23865	4.5
364.13245	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	363.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82904	0.4
59.01379	7.7
66.07204	0.4
69.41402	0.4
71.01375	4.8
71.23481	0.6
72.99310	0.6
73.02945	1.6
74.95176	0.5
79.95737	3.6
80.96514	5.8
81.95300	0.5
82.96088	0.5
83.01392	0.7
85.02945	1.5
89.02437	3.8
91.25402	0.4
91.37994	0.4
93.03440	0.7
94.98107	0.5
95.05009	0.5
95.95228	2.1
96.96010	7.1
101.02435	2.8
105.03450	2.1
108.86504	0.5
111.17019	0.5
113.02440	1.5
114.41037	0.5
119.03529	0.5
121.02980	0.6
123.03255	1.0
123.04533	0.8
130.08731	1.9
133.02977	1.3
136.03979	0.5
136.07689	1.3
138.05614	2.8
140.07147	1.2
141.07510	0.6
149.25972	0.4
151.03993	8.0
152.98622	4.0
158.11873	0.9
161.02441	31.9
162.02762	2.3
176.04774	18.1
177.05139	1.3
179.03488	57.1
180.03833	2.7
180.98039	0.5
182.08191	0.5
183.10208	1.7
188.40530	0.4
189.76163	0.5
191.07135	8.1
191.97327	0.6
194.05835	52.0
195.06184	3.7
201.11334	1.2
202.10832	0.7
209.08177	100.0
210.08510	7.9
227.08290	1.2
231.12317	1.4
242.10710	0.8
257.12897	7.0
258.13193	0.7
287.10284	0.8
315.08765	1.0
345.10681	1.0
363.07455	9.2
363.11282	7.2
363.16672	11.0
364.07657	1.0
364.11661	0.7
364.16107	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	363.0754
Annotation	Sulfometuron methyl
Peak:m/z	Relative Intensity
50.13988	0.4
56.05855	0.4
59.01379	6.4
69.30930	0.9
69.31335	2.3
71.01373	2.8
72.99301	0.6
79.95734	4.3
80.96516	4.0
85.02945	1.3
89.02444	1.3
95.95244	0.7
96.96008	96.3
101.02437	1.7
113.02420	0.6
122.97591	1.1
138.97086	1.1
150.97049	1.5
164.98636	0.8
180.98116	1.6
231.12296	0.5
241.00220	4.0
363.07523	100.0
364.07880	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.5
67.54344	2.0
71.51788	3.5
78.95914	3.4
80.36062	1.7
86.97398	1.7
87.00868	1.9
93.42631	1.6
99.04509	4.0
131.70064	1.7
152.99594	4.8
171.10204	3.3
195.09933	1.9
212.07487	2.5
225.60184	1.7
351.48358	2.1
357.96100	2.2
361.23813	100.0
362.24048	10.7
369.05579	1.9
384.61801	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	361.989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.8
60.01719	1.0
61.01804	0.7
61.98828	100.0
63.92465	0.3
85.45071	0.3
93.52467	0.3
121.02954	0.6
128.40089	0.4
142.97694	0.3
152.77861	0.4
158.64038	0.3
159.97289	0.5
174.99228	0.8
175.99612	0.4
178.98538	0.5
200.32454	0.3
201.02501	1.7
203.02354	0.4
203.99985	4.2
204.02681	0.8
206.97455	1.2
217.00336	2.4
218.00562	3.1
219.00572	1.1
219.97748	47.2
220.97748	0.8
220.99733	4.1
241.89861	0.4
261.78006	0.4
277.96912	0.7
277.99637	0.8
319.97485	2.1
320.01102	0.9
320.98221	0.6
343.98730	0.3
361.99274	4.9
362.02554	1.1
362.99561	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	362.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01705	1.9
61.98829	4.7
69.54050	2.8
69.54482	3.1
71.01374	6.2
72.99318	0.9
73.02940	1.8
79.95731	4.5
80.96520	17.5
85.02950	2.2
87.00885	1.2
89.02447	3.8
96.95982	4.2
98.20633	1.9
101.02425	5.3
106.98819	0.9
108.04562	1.6
113.02440	2.4
119.03481	2.4
119.05015	1.2
126.10114	0.9
136.07736	1.0
138.05620	2.5
140.07176	70.3
141.07500	3.2
146.06221	0.8
147.04497	0.9
150.05681	1.0
161.04622	1.1
163.03992	1.5
176.03654	1.5
178.05118	2.1
182.08131	1.1
183.10275	1.4
189.01781	1.4
201.99442	1.0
209.08226	1.4
227.08301	1.0
229.01807	1.5
243.13452	2.2
257.12784	4.8
314.11188	0.9
332.74524	0.9
345.10681	1.1
362.09918	4.0
362.15182	1.9
363.11139	20.7
363.16528	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	361.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25628	29.4
62.34888	36.7
71.50939	67.5
75.07746	29.7
108.21581	32.4
180.54343	37.4
184.03961	31.7
213.76254	33.2
240.98639	37.9
302.01563	40.8
353.98874	35.9
361.23642	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	361.2381
Annotation	(plusmn)19,20-DiHDPA
Peak:m/z	Relative Intensity
53.47287	0.3
53.82654	0.3
59.01364	0.5
69.48768	2.1
91.39860	0.3
125.51128	0.4
127.86789	0.3
136.30067	0.3
154.15840	0.4
335.85617	0.4
361.23825	100.0
362.24149	11.6
362.28577	0.8
380.96930	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
64.05383	0.4
67.27070	0.4
70.37604	0.9
104.00334	0.5
106.85763	0.5
107.77100	0.4
116.02665	0.4
121.31091	0.5
126.16806	0.4
161.66776	0.5
212.59036	0.4
248.72037	0.4
283.34149	0.4
361.23694	100.0
362.24106	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	361.2383
Annotation	Cespihypotin Q
Peak:m/z	Relative Intensity
51.48162	0.4
57.03444	2.3
69.03467	0.7
69.31007	4.5
71.01374	1.3
83.05009	0.7
98.20773	0.5
99.04529	0.8
108.00709	0.5
123.08177	1.6
135.04468	0.6
147.08069	0.5
158.03703	1.2
161.06018	0.9
162.06860	1.3
164.08267	0.6
172.05190	0.7
173.06021	0.6
174.06877	0.9
175.07693	2.4
176.08421	0.7
177.09302	0.7
186.06880	0.6
187.07602	0.8
188.08461	0.6
189.09218	1.2
190.09975	2.3
191.10747	1.0
198.44016	0.6
200.08430	0.6
201.09233	1.3
202.09918	0.7
203.10872	1.0
215.07375	0.6
215.10728	0.8
216.07925	1.0
216.11525	1.7
217.12354	0.8
218.09447	1.1
219.13890	0.9
227.10750	1.0
230.13130	1.0
231.13892	1.9
243.17505	1.2
245.11874	0.7
245.15471	0.5
259.16989	3.4
271.13208	0.6
271.17261	0.5
271.21329	0.5
272.13800	0.5
274.15729	0.8
281.19101	0.7
285.15088	0.8
287.16534	2.0
287.20129	1.9
289.14877	0.8
289.18066	3.7
297.18698	0.6
299.13309	0.6
299.16513	2.8
299.20184	11.5
300.17340	0.9
300.20563	2.2
305.17514	1.6
314.15152	1.0
315.19965	1.0
315.23260	27.4
316.23700	4.1
317.17551	2.8
317.21265	1.3
318.18115	1.1
328.16782	1.4
333.20697	1.9
343.19144	7.7
343.22763	0.9
344.19330	0.6
346.17996	0.8
361.20163	7.9
361.23853	100.0
362.20743	1.1
362.24213	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	361.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88535	0.7
58.88619	0.6
59.01379	20.8
64.40289	0.6
133.34373	0.6
195.80434	0.7
229.09743	0.8
235.80806	0.7
271.88419	0.7
279.23291	100.0
280.23624	11.8
309.81155	0.6
361.15143	1.2
361.23639	21.5
362.24161	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	361.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.1
59.32085	1.2
67.61955	1.3
69.33491	8.4
69.33891	2.3
73.02953	2.0
83.05025	3.1
96.83311	1.7
97.06614	7.3
99.04540	9.3
118.75120	1.4
135.04588	1.5
137.49797	1.6
147.08228	1.3
148.05365	2.0
149.06042	4.5
158.03606	1.4
160.05280	2.0
161.06059	4.0
161.09637	1.4
162.06900	8.0
163.07683	3.1
173.06007	2.1
173.09616	2.3
174.06844	5.3
175.07623	8.2
175.11279	2.2
176.08398	4.9
177.09132	3.3
186.06825	1.6
187.07637	4.3
188.08347	4.3
189.05632	1.9
189.09200	12.3
190.09991	19.7
191.10805	6.9
197.09602	1.6
200.08351	1.9
201.09229	6.5
202.09921	5.9
203.10757	15.3
204.11353	2.8
213.09184	4.2
214.09996	3.1
215.10730	3.8
216.11563	23.9
217.12262	13.2
218.09453	7.6
218.12833	1.9
219.13866	7.5
227.10757	4.0
228.11520	4.0
229.12239	1.9
230.13063	4.9
231.10251	3.3
231.13898	46.1
232.14262	4.8
241.12505	2.1
243.10150	2.2
243.13869	20.4
244.14551	8.1
245.11757	1.5
247.13329	2.4
257.15500	1.7
258.12585	1.5
259.17026	27.2
260.17346	3.6
264.13657	4.4
269.15521	5.3
271.13455	1.9
272.14169	9.7
273.14896	4.1
281.15366	2.4
282.16360	1.7
287.16528	46.9
288.16949	5.6
289.18158	2.7
297.18515	2.4
299.16470	5.7
303.16333	1.8
303.19623	3.3
305.17599	5.9
315.19751	2.3
317.17496	9.3
317.21036	2.3
318.18118	3.3
325.18204	2.3
331.19104	4.7
333.20724	7.8
343.19135	12.1
344.19418	1.7
346.18008	3.3
361.20184	100.0
362.20520	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	361.202
Annotation	Unknow
Peak:m/z	Relative Intensity
62.46243	1.5
66.95320	1.6
70.32343	4.6
70.32758	2.9
73.02946	2.2
76.25693	1.7
83.05054	3.7
83.26984	1.6
97.06602	14.7
99.04523	18.3
114.67601	1.7
120.91583	1.7
121.29995	1.6
125.06081	2.6
134.03767	1.9
148.05205	4.5
149.06094	6.5
151.07698	2.1
161.06078	4.1
162.06888	9.4
166.94702	1.6
173.06038	3.3
174.06821	5.7
175.07639	9.5
176.08368	6.2
187.07550	1.9
187.41794	2.0
188.08409	4.7
189.05499	2.2
189.09142	8.1
190.09959	18.3
191.10710	7.0
201.09227	5.2
202.09985	5.4
203.10750	19.1
204.11287	3.4
206.80083	1.7
213.09203	2.7
214.10005	2.0
215.10768	3.6
216.11516	26.4
217.12259	12.6
218.09427	10.7
218.12839	1.9
219.13840	6.0
227.10768	4.1
228.11467	4.2
229.12393	4.0
230.13097	6.9
231.13863	62.0
232.14226	5.9
239.10777	1.9
241.12367	2.6
243.10222	2.8
243.13873	23.7
244.14752	7.6
245.11789	2.2
245.15399	2.8
257.15469	2.2
259.17001	25.5
260.17264	3.3
264.13644	2.9
269.15494	5.3
272.14154	11.0
273.14682	5.4
284.17819	2.3
287.16495	59.6
288.16919	8.7
289.18164	2.0
297.18719	2.3
299.16516	3.0
299.20041	1.7
303.19766	2.6
305.17624	3.2
315.19461	2.0
317.17529	6.4
317.21188	22.3
318.18124	3.0
318.21634	3.0
329.83383	1.9
331.19180	3.6
333.20755	6.5
343.19141	10.1
346.17667	4.0
361.20169	100.0
362.20581	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	361.202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69260	1.3
61.80420	1.4
69.28958	5.1
69.29391	6.9
71.01380	4.5
83.05032	1.9
99.04535	2.6
105.32557	1.3
121.81934	1.4
124.97536	1.4
149.06091	1.5
162.06866	3.9
163.07619	1.9
165.48776	1.4
171.04578	1.8
173.06049	1.9
175.07582	4.7
176.08432	2.3
177.09232	1.9
186.06761	1.8
187.07732	2.2
188.08403	4.2
189.05508	1.5
189.09206	5.0
189.12743	1.8
190.09921	9.1
191.10712	2.0
201.09224	4.2
202.09926	5.1
203.10678	4.9
213.09250	2.0
215.07103	3.4
215.10674	3.9
216.07956	3.3
216.11530	5.5
217.12288	21.2
218.09506	2.0
218.12791	2.0
229.12242	2.6
230.13103	11.0
231.13815	4.0
244.14722	2.8
245.15302	2.0
247.13414	1.8
259.16995	74.9
260.17264	7.7
263.12769	2.1
271.13455	3.3
274.15698	1.8
285.15070	2.6
287.16559	1.7
289.18036	11.1
299.13077	3.2
299.16522	6.8
299.20166	11.3
300.17188	2.4
300.20496	2.6
302.18826	2.1
314.15170	4.2
315.19846	2.8
315.23331	10.4
316.23709	2.2
317.17676	7.6
317.21152	100.0
318.21503	14.9
328.16586	3.3
330.29074	1.5
333.52087	1.8
337.51135	1.5
343.19128	23.3
344.19205	2.7
361.20081	8.3
361.23898	45.6
362.20380	2.7
362.24277	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	361.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
59.01377	100.0
65.00304	1.0
69.03441	1.1
71.00645	1.5
71.01037	1.1
71.01374	8.5
71.05023	1.8
73.02929	7.3
77.62915	0.9
79.95745	3.9
80.96517	8.3
83.01389	2.3
83.04992	0.9
85.02953	3.0
85.06600	1.0
89.02434	2.6
93.03472	1.9
96.95997	2.6
101.02427	7.4
103.49191	0.9
111.08120	1.3
113.02465	4.4
115.07587	1.6
119.03558	1.1
119.42517	0.9
125.09718	1.5
137.09680	1.9
151.60416	0.9
155.10811	3.2
157.08731	1.5
161.91957	1.0
176.70567	0.9
181.12363	1.3
187.93695	1.1
191.05602	2.1
199.09724	3.2
199.13387	1.9
201.11333	3.2
205.08647	1.2
209.11879	1.4
211.13382	1.8
229.10825	1.8
229.14474	10.3
246.01959	1.2
250.80669	0.9
269.04788	2.7
301.20181	9.9
319.21225	19.3
320.21579	1.6
361.09592	13.3
361.13400	1.7
361.18527	4.0
361.22342	13.3
362.09857	1.4
362.22784	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	361.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56476	1.2
59.01378	2.6
59.03526	1.5
61.21365	1.4
64.19401	1.3
69.78412	2.8
69.78823	5.8
83.05023	2.4
85.02908	1.5
87.00899	1.6
88.86714	1.5
95.05006	3.9
97.04079	1.9
97.06571	5.8
98.20646	1.9
99.04514	73.9
100.04833	3.4
107.04977	1.8
113.06066	2.5
121.06611	2.6
135.04504	5.1
144.30577	1.4
147.08136	1.8
149.06062	2.9
161.06073	2.3
162.06796	2.6
163.07635	2.3
172.07657	4.8
173.04561	3.4
173.06015	2.6
175.35139	1.7
176.08392	2.1
187.07478	2.4
189.09158	3.5
190.09973	6.2
191.05495	2.4
191.10738	3.4
192.04738	1.9
199.11224	1.9
200.08386	1.6
201.09111	3.0
201.12825	1.7
202.09944	2.2
203.10715	5.3
204.04874	10.4
205.05504	1.6
206.06453	5.6
215.10773	2.4
216.11475	5.7
217.12134	3.4
218.06358	2.6
218.09372	5.8
219.13806	2.9
227.10771	2.2
230.13014	1.9
231.13896	12.6
237.04550	3.9
243.10071	2.6
243.13866	8.9
244.14619	2.1
247.13585	1.6
259.17010	8.4
265.12659	7.9
265.28439	1.6
266.12836	2.1
270.14981	3.7
272.14072	3.0
273.14935	3.2
278.12189	5.5
279.12152	2.4
287.16547	12.5
289.17905	1.7
290.12134	3.6
297.18585	2.2
302.11899	1.6
304.13733	51.4
305.13828	7.4
317.17563	5.4
333.20621	3.7
343.19168	5.2
361.15845	100.0
361.20157	37.3
362.16156	14.2
362.20496	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	361.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
69.98141	2.9
70.27483	3.1
70.27837	7.3
71.05023	2.2
73.02941	4.8
83.05028	2.9
97.06572	10.4
99.04517	79.0
149.06032	5.3
161.05981	2.9
162.06822	7.9
166.73442	2.8
173.06085	3.9
174.06825	4.4
175.07634	12.2
176.08325	4.8
177.09229	4.1
187.07565	2.4
188.08336	3.8
189.05626	2.7
189.09160	13.2
190.09998	21.5
191.10689	6.7
200.08379	3.3
201.09169	5.0
202.09926	4.2
203.10777	21.2
204.11214	3.0
213.09229	2.4
215.10829	4.8
216.11551	24.4
217.12271	12.5
217.88481	2.2
218.09476	12.1
219.13773	6.1
227.10500	4.3
229.12164	4.2
230.13188	3.3
231.13896	59.4
232.14139	4.3
243.13872	23.2
244.14429	10.8
259.17053	23.3
269.15546	4.4
272.14255	12.1
287.16519	51.6
288.16983	5.5
299.16489	3.5
304.13696	4.5
305.17444	4.3
317.17505	9.4
317.21133	6.1
331.19052	4.2
333.20645	7.1
343.19037	12.4
346.17731	2.6
361.15903	14.2
361.20123	100.0
362.16345	3.2
362.20459	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	361.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49086	1.4
59.01392	1.7
64.18521	1.3
69.55827	9.4
83.05041	1.9
97.06580	3.6
99.04517	100.0
100.04870	2.7
113.06110	1.6
123.04513	1.3
124.49159	1.3
149.06108	1.9
161.06100	1.7
162.06828	3.5
163.07683	3.1
172.07794	1.9
173.08287	1.4
174.06802	2.1
175.07628	3.8
176.08429	2.6
177.09102	2.5
188.08397	2.6
189.09201	4.3
190.09985	6.2
191.10707	2.6
201.09157	3.2
202.09937	3.1
203.10811	5.7
204.04774	3.4
216.11490	7.7
217.12206	4.3
218.09436	4.3
219.13873	1.6
227.10825	1.7
228.11519	3.3
229.12314	2.5
231.13918	17.4
232.14114	1.5
243.13918	6.5
244.14558	1.5
245.15332	2.3
259.16977	8.9
265.12582	2.3
278.12164	3.3
286.12521	1.6
287.16510	17.0
289.18234	1.8
304.13766	17.6
305.14139	2.6
305.17426	2.0
317.17490	2.9
331.19070	3.4
333.20709	2.5
343.19153	6.4
361.15875	41.5
361.20203	38.7
362.16019	4.6
362.20541	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	361.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01425	3.7
57.94920	4.1
58.75560	5.0
71.01373	22.4
78.52938	4.3
85.33295	4.2
92.32431	5.2
94.48325	4.2
98.19949	12.8
99.04520	70.9
120.63108	4.2
142.55438	4.5
149.06078	8.2
159.04491	6.4
162.06856	11.7
173.06010	9.5
175.07600	9.8
176.08453	5.8
181.97568	4.6
186.06822	11.1
187.07639	14.5
188.08475	5.6
189.05542	6.2
189.09128	10.8
190.06161	4.5
190.09976	13.3
191.10719	10.3
199.07657	7.1
200.08382	7.3
201.09149	10.4
202.09853	8.9
203.10722	12.5
215.07031	4.6
215.10738	8.1
216.07870	13.6
216.11511	4.8
217.12309	12.8
218.09586	27.3
219.13773	8.5
229.08704	7.6
231.13803	12.6
247.13232	7.8
248.14095	5.5
259.13385	7.2
259.16977	29.5
264.13556	5.9
274.15588	8.8
285.14777	7.1
287.16437	12.2
289.18094	36.9
299.13354	5.3
299.16476	23.5
299.19839	5.3
300.17151	8.4
314.15320	10.4
317.17517	18.8
317.21179	34.4
328.16586	13.3
333.20624	8.6
343.19131	80.2
344.19540	9.2
361.20139	100.0
361.23944	8.1
362.20551	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	361.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76460	0.5
62.20755	0.5
69.18903	2.8
69.19324	1.7
71.01382	1.1
75.54227	0.5
98.19914	0.8
99.04517	100.0
100.04858	3.3
101.04992	0.5
107.81791	0.6
108.50584	0.5
135.94049	0.5
157.55728	0.5
191.97137	0.5
221.84691	0.5
289.18106	1.6
299.16437	0.9
317.17496	1.0
343.19196	2.7
344.19785	0.5
361.20059	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73018	2.8
53.72483	2.5
57.03444	34.9
64.86604	2.8
69.56536	17.2
71.01380	25.2
76.73986	3.1
83.05029	6.5
88.26028	2.8
90.88380	2.7
99.04512	64.0
109.02843	3.4
125.06071	3.6
130.56146	2.9
133.06595	3.4
135.04544	3.8
149.06044	3.6
150.06862	4.9
159.08212	15.3
160.05275	3.4
162.06885	20.7
163.07666	6.5
164.08377	3.9
171.04507	3.5
173.06039	7.4
174.06764	4.6
175.07611	11.9
175.11293	15.2
176.08447	5.3
179.07300	2.9
185.06050	8.0
186.06799	5.2
187.07617	15.0
188.08304	4.9
189.09222	13.8
190.06320	4.9
190.10007	3.7
191.10767	5.4
199.11285	9.8
200.08253	5.1
201.09178	12.0
202.09943	9.7
203.10796	3.8
215.07082	10.0
215.10735	5.9
216.07869	12.2
216.11491	9.8
217.12317	91.2
218.12672	6.9
219.13965	4.8
229.08656	8.5
231.13911	13.7
241.12421	4.0
248.14134	4.7
257.43674	3.0
263.12689	4.1
267.13910	4.8
271.13403	12.7
274.15680	18.1
275.16379	4.4
279.12399	9.0
285.15094	6.9
289.18103	58.9
290.18442	9.5
297.18497	3.9
299.12875	9.5
299.16534	40.1
299.19604	4.6
300.17081	13.7
313.14508	4.7
314.15216	18.2
315.19589	5.9
317.17633	27.5
318.17932	7.2
328.16833	20.0
343.19113	100.0
344.19418	12.2
361.20294	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	361.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.7
67.94804	1.4
69.84367	4.8
69.84770	3.0
71.01368	2.3
73.02908	1.5
83.05011	3.8
94.45103	1.6
97.06582	10.3
98.20602	1.7
99.04526	13.6
134.03726	1.8
148.05338	2.6
149.06047	6.5
150.06792	2.4
159.08066	2.7
161.06075	2.8
161.78970	2.1
162.06819	7.3
163.07611	3.0
173.06050	4.0
173.09717	2.4
174.06816	4.8
175.07664	9.5
176.08426	4.5
176.65358	1.9
177.09085	2.8
186.06738	1.8
187.07593	4.8
188.08372	5.4
189.05580	5.0
189.09174	10.0
190.09973	17.5
191.10631	4.9
199.07596	1.8
199.11212	3.3
201.09161	4.4
202.10042	5.6
203.10776	15.2
213.09209	3.2
215.10675	3.3
216.11519	23.5
217.12311	22.7
218.09415	14.0
218.12711	3.0
219.13860	2.9
227.10719	4.9
228.11501	4.4
229.12395	2.8
230.13162	3.9
231.10303	2.4
231.13873	42.4
232.14122	5.1
243.10281	2.1
243.13873	21.0
244.14598	6.3
245.11693	2.9
247.13458	2.4
258.12640	1.7
259.13092	1.8
259.17029	23.0
264.13589	2.6
269.15506	5.3
272.14114	5.1
273.14783	2.5
281.15472	2.4
287.16544	45.3
288.16980	8.0
289.18054	3.3
292.39084	1.6
297.18460	2.6
299.16531	4.6
305.17517	4.3
315.19702	1.7
317.17685	8.9
318.18185	4.1
331.19208	6.0
333.20712	8.5
343.19110	12.3
344.19473	2.8
346.17963	4.1
361.20178	100.0
362.20474	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	361.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.2
59.01380	17.9
61.98833	3.7
68.99811	1.2
69.03445	0.6
71.01015	0.8
71.01383	10.0
71.05006	1.0
71.51823	0.8
72.99284	1.9
73.02947	3.9
75.46694	0.6
79.95731	30.5
80.96512	63.1
83.01377	1.3
83.05015	2.1
85.02948	5.0
86.83033	0.6
87.00871	1.8
87.04500	1.0
89.02448	4.8
89.25214	0.6
93.03439	1.0
95.04983	1.2
96.96011	15.4
97.02929	1.3
97.06576	1.2
99.04501	2.4
101.02437	4.4
106.98063	0.8
107.08675	1.3
109.06571	0.9
111.04549	0.8
113.02412	2.6
116.92831	0.8
118.98106	1.0
119.03490	2.4
119.08627	1.5
121.06567	1.2
122.03688	1.5
123.04471	1.2
123.08121	2.2
125.02429	0.8
125.05990	0.9
132.02992	2.0
133.06570	0.9
134.06146	1.2
137.02490	0.8
137.06041	2.4
137.09703	3.0
138.03201	1.5
139.00365	0.9
140.07138	4.1
149.04559	1.1
149.06036	2.3
149.09627	1.2
151.07588	1.3
153.09219	1.9
161.04633	1.5
161.09634	1.2
162.05589	1.1
163.07661	1.6
164.04782	0.8
165.05554	1.3
165.09091	1.1
167.10811	1.2
177.09177	2.4
181.08665	2.7
181.99681	1.3
182.08163	0.9
185.11778	1.2
187.07626	0.8
189.09233	1.4
197.99188	4.6
198.99957	10.9
199.09756	5.1
212.10710	0.8
215.00360	0.8
229.10785	6.9
230.11710	1.0
251.12923	0.8
255.11325	0.9
279.12332	2.6
281.13910	2.6
285.08841	0.8
293.79709	0.7
317.11334	1.5
325.90576	0.7
361.05280	10.1
361.09543	100.0
361.14853	24.7
362.05856	0.9
362.09857	10.6
362.15103	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	361.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19369	0.6
59.01372	0.9
71.52597	0.9
93.41117	0.6
99.04537	3.1
149.06073	0.7
161.06252	1.1
181.20041	0.6
204.66504	0.7
219.05148	2.2
228.56435	0.8
243.42105	0.6
261.04416	1.1
263.02304	1.2
277.03864	12.6
278.03976	1.5
279.05643	1.0
285.33194	0.7
307.08514	0.7
343.12192	2.3
345.10147	7.2
346.10220	2.0
359.11789	1.2
361.13275	100.0
361.23349	4.6
362.13406	18.8
379.14233	6.4
380.14581	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	361.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45973	4.3
57.03452	5.5
64.37202	4.7
71.01379	29.8
71.52656	4.6
90.24276	4.9
99.04530	86.5
100.04840	4.2
110.13919	3.9
124.57190	4.5
124.77689	3.7
149.06078	8.0
153.54675	4.1
158.03822	4.5
162.06842	16.3
164.08401	6.8
171.47026	4.0
173.05995	9.3
175.07611	14.9
175.11270	7.2
176.08350	8.0
185.06013	6.4
187.07639	11.7
189.09138	12.9
190.09886	4.1
191.10846	6.4
199.11322	14.4
201.09160	11.5
202.09979	5.7
203.10823	6.1
204.11545	5.3
205.90427	4.1
215.07074	11.8
215.10745	5.5
216.07906	11.1
216.11462	16.8
217.12267	17.0
229.08731	5.6
231.13846	16.7
243.10205	9.3
256.14743	5.1
263.12872	10.5
264.13589	5.9
271.13336	15.8
272.14114	4.9
274.15710	17.9
285.15045	7.9
289.18066	53.6
290.18481	10.2
299.12885	11.9
299.16476	34.5
299.19675	5.7
300.17215	9.6
313.14316	5.8
314.15176	15.7
315.19720	6.7
317.17685	26.0
317.20883	7.9
318.18002	7.8
328.16794	17.4
333.20547	6.9
343.19138	100.0
344.19464	15.1
361.00671	4.7
361.20145	48.0
361.27374	5.5
362.20609	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	360.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00084	0.4
59.01379	16.4
61.28330	0.4
61.98834	0.7
71.01382	6.5
71.05020	0.5
71.51851	0.8
73.02957	1.0
74.02468	0.5
75.00899	0.5
79.95747	3.6
80.96520	7.4
83.05026	0.9
85.02947	1.7
87.00877	0.8
88.04033	5.0
89.02452	5.2
96.96006	1.7
99.04537	0.5
101.02444	3.9
108.02173	7.5
111.04558	0.5
113.02465	2.3
115.00378	1.7
119.03499	2.6
119.08643	2.4
120.99643	0.5
121.02980	0.6
128.03481	0.5
129.37637	0.5
132.03026	15.7
133.03439	0.6
134.06145	0.6
137.09709	1.5
138.01970	100.0
139.02327	4.8
153.97646	0.5
161.04573	0.9
162.05583	1.6
163.07620	0.4
165.99089	0.9
179.05611	0.7
180.03049	0.7
181.08736	0.9
191.05623	1.6
192.06062	0.4
197.99077	0.8
198.99947	0.9
199.09770	2.9
209.11827	0.6
229.10759	0.9
281.14099	0.5
285.12595	0.7
286.01331	0.7
289.96439	0.7
316.01874	0.5
317.15085	1.1
360.17032	0.8
361.05463	1.4
361.09698	11.7
361.15060	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19209	1.5
51.50389	1.9
51.70757	1.5
53.00295	5.8
53.08675	1.6
54.26627	1.6
56.48714	2.1
59.01367	7.9
61.98822	14.5
65.00325	3.5
68.99814	7.9
71.01376	4.3
71.51076	4.2
72.63961	2.0
72.99326	2.0
79.95729	2.3
79.99040	4.7
80.96501	6.7
80.99809	4.0
85.02966	3.5
92.99827	3.8
93.03457	5.7
95.01375	4.4
96.96000	2.7
98.95588	2.2
99.00889	5.8
101.02432	2.8
109.34663	1.8
111.00880	5.3
112.98817	5.3
117.03468	100.0
118.03784	5.3
119.05020	15.1
123.00894	17.7
124.98776	11.1
129.03477	25.9
130.06575	2.6
135.04478	2.7
137.02478	9.0
138.03197	3.7
139.00394	2.2
140.01163	17.6
140.98289	2.5
143.05045	10.4
144.00629	4.7
145.02927	14.6
146.03242	2.2
148.98792	2.4
149.99582	7.7
151.97429	2.8
153.01952	12.8
155.03516	10.9
155.04678	1.8
157.02898	3.6
158.03694	3.2
159.04507	24.0
161.02460	24.7
162.02863	1.9
163.04007	16.3
165.01959	3.1
165.98987	2.8
166.99814	7.8
169.02937	3.3
171.04510	38.8
172.04897	4.0
173.02422	2.8
174.03232	3.6
174.73885	2.3
175.03976	4.2
178.02672	3.2
180.99973	2.3
181.01392	12.1
182.02193	28.2
185.02380	8.8
187.03984	16.9
197.04547	7.7
198.03235	4.0
199.02380	3.7
199.03847	13.1
201.01839	3.2
203.03410	11.9
209.00877	9.0
213.01979	3.2
214.02715	8.8
215.03520	10.5
217.04863	3.5
226.02713	5.7
227.03424	5.6
229.05016	2.3
231.03040	2.8
242.02151	13.5
243.02960	21.2
244.03481	2.2
257.04456	4.6
258.05264	5.9
259.02588	2.1
270.01648	27.3
271.02286	7.2
273.04037	6.2
274.04840	11.9
275.01978	6.5
275.05081	2.0
285.03983	28.4
287.01959	6.4
289.07065	3.4
302.04276	58.5
303.04651	5.1
317.06485	11.7
318.07040	2.6
329.03152	2.8
333.06158	5.3
361.05573	31.5
361.09836	8.5
361.14816	2.8
362.05930	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	359.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
58.47063	0.6
59.01379	100.0
60.01705	0.5
61.98836	1.1
62.22401	0.6
69.68086	1.9
69.68498	1.5
85.02951	17.2
86.56302	0.5
98.19928	0.8
99.04527	0.8
110.40321	0.8
147.39587	0.5
152.13562	0.6
183.13998	0.9
193.71150	0.5
225.22221	1.0
227.12854	1.1
253.21632	0.9
255.23282	6.0
256.23563	0.7
274.99713	0.7
323.25668	0.7
329.02939	2.4
341.26834	1.7
344.05371	1.7
359.07632	2.2
359.18405	3.8
359.22549	3.6
359.28000	65.4
360.08041	0.6
360.18866	0.8
360.28354	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	359.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	24.0
64.50183	0.7
69.37009	0.6
83.41587	0.7
138.56302	0.7
148.81339	0.8
257.82706	0.8
277.21710	100.0
278.22122	10.1
318.55457	0.8
359.22101	25.0
360.22296	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	359.2226
Annotation	5-cis-15(R)-Iloprost
Peak:m/z	Relative Intensity
55.32242	0.3
59.01384	0.8
85.71131	0.4
90.96369	0.3
94.92882	0.3
130.46222	0.3
200.49857	0.4
317.21072	0.4
359.22244	100.0
360.22592	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	359.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79119	0.3
60.44733	0.3
70.99718	0.6
77.57730	0.3
91.37774	0.3
130.09908	0.3
299.20142	4.7
300.20599	0.6
353.06232	0.3
359.22256	100.0
360.22598	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	359.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13382	0.4
61.21740	0.4
69.23448	2.2
69.23878	1.8
82.01859	0.4
82.37315	0.4
98.20672	0.8
104.00633	0.4
126.94606	0.4
165.60950	0.4
165.66159	0.5
338.37619	0.4
359.22247	100.0
360.22571	14.8
374.44034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15784	0.6
57.03440	0.6
59.01377	100.0
60.01718	1.4
70.64204	1.5
85.02951	18.7
86.03285	0.6
137.41745	0.6
153.01756	0.6
169.87462	0.6
183.13916	1.2
225.22212	1.0
254.43341	0.6
255.23251	7.0
256.23492	0.7
281.24991	0.9
290.20712	0.6
323.25803	2.0
329.03055	2.0
333.54315	0.6
341.26984	0.7
344.05298	1.3
359.07730	2.3
359.18475	2.4
359.28009	61.3
360.28369	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	359.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05775	1.3
56.62663	1.2
59.01377	15.6
59.85432	1.2
67.42022	1.2
69.42686	9.5
70.76336	1.4
71.01389	1.6
73.02941	2.0
77.96410	1.3
79.95744	3.0
83.05008	1.6
97.06591	4.2
99.04461	1.7
99.08151	11.2
104.05058	1.4
108.88949	1.2
109.02933	1.4
113.09713	3.6
120.99639	5.3
139.11252	3.6
141.09218	1.3
145.26048	1.2
149.04539	5.2
150.04861	1.7
151.05005	3.4
165.12859	2.8
181.12314	7.3
182.12643	4.8
183.12642	2.4
183.13892	4.3
203.79399	1.3
209.11795	2.1
209.19069	5.0
216.69969	1.5
219.17526	3.5
225.11304	9.0
225.18607	2.3
226.11620	7.7
227.12076	13.7
237.18593	21.6
247.13351	1.9
253.18039	5.5
255.19640	100.0
256.19980	12.2
271.19177	23.9
272.19406	1.8
281.17508	8.5
299.18619	78.9
300.19012	8.9
312.88000	1.3
317.19666	81.8
318.19992	9.8
327.09137	3.2
359.07947	3.5
359.15933	5.2
359.20724	45.1
360.21179	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	359.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15730	1.2
61.28130	1.1
69.65945	6.6
70.65775	1.0
92.24203	1.1
97.84387	1.1
123.00996	1.4
183.13861	1.2
217.07135	2.2
277.07462	4.8
301.21695	100.0
302.22006	12.5
344.05142	1.6
357.13907	1.8
359.15106	60.4
359.17474	91.7
360.15186	12.4
360.18066	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	359.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11673	1.0
51.15793	1.1
55.71318	0.8
57.03445	3.7
59.01379	1.7
60.96239	0.9
66.95226	0.9
71.05026	1.4
77.23746	1.0
82.14144	0.9
83.05027	3.9
99.04524	5.1
109.02920	1.3
111.04503	5.2
133.02879	1.9
134.03784	1.2
135.04494	1.4
149.06055	5.0
153.01942	1.0
158.03729	1.7
159.04480	1.1
160.05299	2.4
161.06061	3.7
164.98282	4.3
172.05264	1.7
173.06036	4.8
174.06689	1.5
175.07619	4.5
180.00624	2.9
183.13876	2.8
185.06097	3.0
186.06717	1.7
187.07686	3.4
188.08363	2.5
189.05579	2.0
189.09198	8.2
190.09828	1.8
195.03021	2.2
197.09578	1.2
199.07680	2.4
200.08385	2.8
201.09172	8.3
202.02705	1.7
202.09792	1.4
204.07855	1.6
213.09203	2.6
213.99359	1.0
214.02705	1.0
215.07123	1.1
215.10709	4.3
216.11325	2.1
217.08578	5.8
217.12282	2.3
225.09125	1.2
227.10786	2.5
227.12846	1.5
229.08658	2.4
230.02109	1.4
239.14452	2.1
241.12285	4.3
242.13074	3.7
243.10217	1.7
248.14110	6.2
257.15472	15.0
258.01688	2.2
258.15738	2.3
260.14307	1.0
271.13248	2.3
273.11542	1.0
273.14893	1.8
274.15662	2.4
285.14972	1.6
286.01160	3.2
288.13608	2.6
297.18439	2.0
300.14285	1.3
300.17218	6.4
301.03470	3.3
301.14331	2.8
313.18234	1.2
314.00665	4.4
315.16147	2.7
315.19598	46.6
316.16748	7.9
316.20032	4.5
317.16876	1.2
329.02939	15.4
330.03329	2.4
331.19141	10.2
344.05304	12.0
347.18668	10.4
348.18945	1.5
359.07800	19.2
359.18597	100.0
360.08099	2.1
360.18912	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	359.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.2
69.03448	1.7
69.56642	3.6
69.57049	1.9
71.05022	34.2
72.05343	0.9
73.02936	1.3
83.05030	2.0
83.83583	0.8
93.03436	0.8
122.81143	0.8
131.03479	1.5
133.10188	4.3
135.10811	2.0
135.11809	32.2
136.05043	0.9
136.12079	1.9
137.09724	4.2
142.68106	0.7
151.11253	0.9
153.12831	8.8
154.13257	0.8
158.02327	0.9
173.04631	1.1
179.10777	17.3
180.11145	1.1
183.13954	1.0
191.05598	1.2
218.59961	1.0
227.12875	100.0
228.13220	7.7
317.19632	1.2
322.74292	0.9
337.08768	0.8
359.08167	4.0
359.17044	13.1
359.21054	1.1
377.29398	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53591	0.5
71.57044	0.5
223.74722	0.5
229.18338	0.7
265.69287	0.5
301.21707	80.0
302.22064	12.3
329.30594	0.5
344.05859	0.5
345.91907	0.5
359.17596	100.0
360.17947	14.0
360.22244	0.7
361.08765	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66395	1.5
61.46909	1.6
70.70532	1.8
71.52205	2.1
101.65708	1.7
104.35030	1.6
120.91798	1.7
143.14777	1.7
217.07298	1.8
301.21707	94.8
302.21973	13.5
339.16394	1.8
357.13608	2.2
359.17410	100.0
359.22275	9.9
360.15042	8.1
360.18002	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	359.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.0
59.01376	1.0
69.03480	1.0
69.28339	4.0
69.28745	1.0
71.01379	1.1
73.02936	2.2
87.04514	0.8
89.02435	5.6
101.02458	0.8
103.04018	1.3
111.08150	2.1
131.03487	1.7
133.77873	0.4
149.04550	29.1
150.04922	0.8
165.12839	26.7
166.13152	2.6
183.13889	100.0
184.14230	7.6
209.11745	2.2
227.12872	86.7
228.13193	6.3
327.09015	1.5
330.80765	0.5
342.36572	0.5
359.17072	7.6
360.17468	1.4
376.27985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.8
59.01379	6.2
59.73960	0.9
61.51174	0.8
69.03441	1.6
69.69370	3.8
71.01392	0.8
71.05020	21.2
73.02942	1.2
75.81958	0.8
76.92442	0.8
78.95667	0.9
79.95736	2.1
80.96517	3.2
83.05032	4.0
85.02947	1.2
87.04526	1.2
96.95988	1.7
97.06585	0.9
101.02467	2.1
101.06090	2.5
119.50534	0.9
123.08148	1.3
131.03497	3.7
133.10239	6.5
135.11804	27.8
136.12077	1.3
137.09698	3.0
151.03963	0.9
151.11241	0.9
153.12857	7.8
164.84859	0.8
165.09174	1.0
165.12845	1.2
168.88130	0.7
179.09331	1.4
179.10783	12.7
180.11154	1.5
183.10326	1.3
183.13847	1.9
191.05580	2.0
227.12880	100.0
228.13232	7.1
250.06688	1.1
317.19778	4.2
359.08151	6.4
359.16953	3.0
359.20822	2.5
360.08197	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.9
58.24737	0.9
59.01371	7.2
63.04258	0.7
69.03461	7.4
69.44591	6.4
71.01395	1.3
71.05020	3.1
73.02943	1.0
75.21129	1.0
75.28210	0.8
80.96546	1.1
81.07074	0.9
83.05024	8.5
85.02953	1.2
93.03430	0.9
93.19999	0.9
96.96026	1.2
97.06599	2.7
97.45631	0.8
101.06071	5.8
109.06571	1.2
123.08142	1.8
125.09750	1.1
131.03499	1.9
133.10229	12.4
135.11795	28.9
136.12166	1.9
139.04436	0.7
140.72437	0.8
147.04478	0.9
147.11765	1.8
149.09650	1.0
153.09203	1.1
153.12823	2.2
165.09245	1.9
165.12886	2.4
167.07095	1.0
175.03951	1.5
181.12280	1.1
183.10248	2.4
183.13898	4.5
187.13422	1.2
190.06358	1.1
190.13591	0.9
191.07123	1.4
197.08072	0.9
205.08742	1.6
209.11809	2.2
227.09598	8.0
227.12872	100.0
228.13168	7.3
287.24014	0.9
299.18689	5.0
317.19656	14.4
318.19836	1.6
359.08511	5.1
359.13596	2.4
359.16949	9.4
359.20938	4.7
362.75656	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	6.6
58.14420	1.1
59.01377	98.0
60.66390	1.3
69.03461	3.1
69.43652	6.7
69.44062	2.9
71.01379	5.6
71.05036	3.2
73.02941	4.7
79.05600	1.1
79.95727	8.1
80.96512	13.7
81.03444	2.8
83.01403	1.8
83.05012	4.7
85.02944	4.0
85.06583	2.0
87.04504	2.8
89.02415	2.7
93.03484	2.0
96.96010	5.6
97.06593	2.3
98.20629	2.5
101.02431	3.9
101.06087	5.4
107.05028	1.5
109.02927	1.9
109.06561	1.7
111.04539	3.7
113.02460	2.0
115.07654	4.8
121.10217	1.5
122.03735	2.2
123.04502	1.5
123.08164	2.5
128.15729	1.2
135.04485	3.2
135.08183	1.6
135.11838	1.3
136.05290	16.9
137.06093	22.3
137.09705	1.8
138.03241	2.0
138.06403	1.5
139.07655	2.5
149.02415	1.3
149.06082	2.9
151.04010	2.3
151.07640	5.1
153.09218	7.9
159.08195	1.4
161.06111	1.8
162.06769	1.8
163.03981	2.1
163.07692	1.6
164.04791	5.6
165.05577	5.4
165.09265	1.5
168.04289	2.5
173.04578	2.8
173.11725	3.1
175.07713	2.2
177.09206	13.6
179.07172	1.6
187.07579	2.0
187.13425	2.0
191.05659	3.0
197.08171	5.2
205.08636	3.3
221.08165	1.4
221.11740	1.4
227.09256	3.6
227.12846	7.8
251.12868	7.2
279.12369	57.0
280.12686	5.3
299.18594	11.1
317.19669	61.5
318.19995	7.1
359.08032	100.0
359.20602	19.2
360.08282	12.6
360.20923	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	359.15
Annotation	Molephantinin
Peak:m/z	Relative Intensity
70.95179	1.9
77.70506	0.9
79.05537	7.4
81.03458	1.3
83.05035	1.1
95.05036	2.0
99.04515	100.0
100.04832	2.5
107.05026	3.6
109.06600	1.6
121.06591	1.8
123.04538	2.1
133.32204	0.8
135.08138	5.0
143.08670	2.3
147.08171	1.2
149.06075	3.4
151.07623	1.6
157.10240	1.3
161.09703	1.1
170.07452	1.2
173.06012	1.5
175.07671	1.2
176.07964	0.8
182.07315	3.0
185.09702	10.3
197.09683	6.9
198.10001	0.8
201.09164	1.4
203.10762	5.6
204.10939	1.0
215.10735	10.6
216.11079	1.5
227.31267	0.9
229.08667	2.0
241.15918	1.1
247.09665	2.4
300.08206	1.0
329.03311	1.2
329.13885	2.7
344.05338	1.6
359.07883	1.2
359.14560	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
57.06940	0.3
69.03448	2.2
69.52452	1.9
71.01385	0.5
71.05009	0.4
73.02940	0.8
83.05019	0.4
89.02428	0.6
98.19966	0.5
111.08143	1.9
116.15378	0.3
131.03526	1.2
140.28920	0.4
140.32190	0.3
149.04544	1.9
165.12845	28.9
166.13188	2.2
175.93082	0.3
183.13895	100.0
184.14241	7.0
191.11002	0.3
209.11827	2.2
227.12877	77.4
228.13208	6.0
359.17117	15.9
360.17468	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0984
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
59.01383	3.3
71.01378	1.7
71.21452	1.2
87.00884	1.9
89.02440	0.6
89.03591	0.4
95.01395	3.7
95.50716	0.5
96.96024	0.9
100.41306	0.5
101.02452	0.8
123.00884	46.0
124.01237	1.5
135.04546	0.9
137.02426	2.0
137.06116	0.9
138.03230	51.5
138.05560	2.0
139.03593	1.7
153.04324	0.9
153.05573	17.8
165.01979	0.7
166.99866	12.2
182.02208	40.9
182.05852	2.1
183.02542	2.5
197.04547	100.0
197.08191	2.8
198.04936	5.6
247.94086	0.6
315.16907	0.6
359.09790	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55712	0.4
59.01369	2.7
61.98831	0.8
69.78683	1.7
70.18642	0.4
71.01366	1.0
72.99309	0.7
78.95934	0.4
85.02905	0.5
87.00925	0.5
96.96027	0.4
103.92038	0.7
107.05032	0.5
109.02946	2.8
115.00376	0.6
119.03529	0.5
123.00840	0.6
132.64410	0.4
134.03734	1.4
134.04657	0.7
134.06108	0.7
135.04521	100.0
136.04854	4.9
138.03226	1.0
153.05499	0.4
162.05537	0.7
179.03438	1.0
180.06664	0.7
182.02174	0.6
182.05814	1.2
197.04556	4.3
197.08180	1.4
201.02579	0.9
217.00304	1.6
244.85397	0.4
271.08221	0.5
285.98660	0.4
297.09784	11.4
297.13016	0.8
298.10233	1.8
359.09879	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74304	0.4
59.01377	2.6
69.97222	1.8
71.01379	1.1
73.02966	0.4
74.70993	0.4
79.95724	0.8
80.96514	1.0
85.02956	0.9
93.03438	0.4
96.96026	0.6
98.02470	0.8
99.68808	0.4
101.02461	0.9
104.42355	0.5
109.02937	0.9
113.02454	0.6
120.99647	0.5
125.02407	1.3
132.03015	1.4
135.04524	0.6
137.02441	15.5
138.03180	0.7
140.01215	0.4
151.04030	3.8
153.01967	0.5
182.05832	92.8
183.06151	5.5
188.88182	0.4
191.05669	0.9
195.06737	0.5
197.08183	100.0
198.08527	6.2
200.14423	0.4
221.39813	0.4
223.17297	0.4
318.96985	0.5
342.11133	0.5
359.08273	1.2
359.13394	2.9
361.14377	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	6.5
57.09531	0.9
59.01381	47.1
69.03454	4.3
71.01390	4.3
71.05019	4.4
71.51724	1.7
72.99311	2.5
73.02945	3.2
79.95744	9.5
80.39443	0.9
80.96525	16.1
81.03484	2.2
83.05036	6.6
85.02948	2.4
85.06591	2.1
87.00842	1.3
87.04504	1.9
89.02449	1.4
93.03467	3.5
95.05052	1.3
96.96017	4.0
97.06613	2.9
99.04521	1.2
101.02434	1.6
101.06075	4.9
109.02922	1.4
109.06586	2.4
111.04523	5.3
111.08177	1.0
115.07652	5.2
121.02971	1.5
121.06602	1.8
121.10284	1.8
122.03763	2.3
123.08147	2.3
124.01642	1.3
129.09253	1.0
135.04527	4.0
135.08160	1.9
135.11833	1.6
136.05310	20.0
137.02435	1.3
137.06079	22.1
138.03273	1.9
139.07715	1.3
139.11334	1.3
147.08176	1.3
149.04564	1.1
149.06078	4.8
149.09668	1.8
151.07631	5.8
153.09232	5.6
160.03926	0.9
161.06152	1.2
161.09674	1.1
162.06862	1.8
163.04047	1.2
163.07616	2.2
164.04808	6.6
165.05522	4.3
165.09174	4.1
166.06290	1.9
168.04250	2.0
173.04578	2.5
173.11845	3.9
175.07651	2.3
177.05548	1.1
177.09201	13.7
179.03461	1.4
179.07123	2.2
181.08653	1.9
183.10255	4.2
184.46815	0.9
187.07631	1.0
187.13388	4.5
191.05609	4.2
197.08217	3.6
205.08751	2.8
209.08209	2.1
221.08299	1.7
227.09346	7.8
227.12912	5.3
228.13139	1.2
240.84921	1.1
251.12918	6.6
256.00488	1.5
271.02594	1.1
279.12381	56.1
280.12683	5.9
299.18610	10.4
315.13660	2.6
317.19659	70.1
318.20038	4.4
324.16367	1.4
359.08063	100.0
359.20618	22.6
360.08322	12.7
360.21127	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	359.1347
Annotation	Semperoside
Peak:m/z	Relative Intensity
59.01379	1.1
63.48645	0.3
70.67260	0.7
71.01378	0.6
80.96521	0.4
83.76643	0.4
85.54146	0.4
109.02937	0.6
132.03026	0.5
137.02437	14.8
138.02750	0.7
151.04013	3.9
182.05830	89.7
183.06184	5.1
197.08185	100.0
198.08540	5.9
223.86377	0.4
359.08899	0.7
359.13318	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41245	0.5
56.82232	0.5
66.97030	0.4
70.65249	1.4
99.04521	0.5
113.74965	0.4
122.03777	0.7
124.98757	0.5
132.02264	0.5
133.01936	1.0
133.02946	21.4
134.03477	0.7
147.00934	0.6
151.97539	0.7
158.03773	0.7
160.71310	0.5
161.02502	1.8
162.03210	1.2
166.99924	0.5
174.03189	5.2
175.00354	1.5
177.01952	1.9
177.99048	5.7
179.97040	1.9
180.97789	1.1
185.02522	0.6
186.03218	2.5
189.01953	1.5
190.02647	1.1
193.01404	6.4
194.99388	1.7
198.03331	0.8
198.98891	0.5
199.03937	0.8
201.01949	3.1
202.02713	16.7
203.03255	0.8
211.04001	0.6
213.01973	2.0
214.02686	4.9
227.03603	0.6
229.01428	1.3
230.02173	6.1
239.03630	1.1
241.01576	1.3
242.02136	3.3
243.02742	0.9
244.10321	0.5
253.01668	0.5
255.02989	1.6
257.01056	0.8
258.01642	5.7
267.02841	0.6
270.01688	1.5
271.02292	1.0
283.02466	5.8
284.02911	1.0
285.00583	0.6
285.03931	0.8
286.01190	12.6
287.01477	1.0
297.00412	1.5
301.03589	4.1
311.01984	9.5
312.02359	1.2
313.03458	0.6
313.18918	0.5
314.00665	45.8
315.01010	3.3
329.03003	100.0
330.03323	10.8
343.04691	0.9
344.05338	52.6
345.05688	5.8
349.92004	0.5
359.07684	91.0
360.08035	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	359.077
Annotation	Unknow
Peak:m/z	Relative Intensity
61.73356	0.5
64.61902	0.4
65.00346	0.4
69.23077	3.4
69.23486	0.8
70.68853	0.5
86.21209	0.4
92.13213	0.4
99.04531	0.6
100.27010	0.4
112.06326	0.4
122.03745	0.6
133.02951	18.5
134.03291	0.8
147.00941	0.9
148.31117	0.4
149.99597	0.7
161.02487	1.2
162.03203	0.7
170.03645	0.6
173.02483	0.5
174.03198	4.1
175.00375	2.0
177.01921	1.4
177.99092	4.8
179.97043	1.2
180.97781	0.9
183.13922	0.5
185.02570	0.4
186.03258	2.2
186.73930	0.5
189.01962	1.5
190.02751	1.5
193.01434	6.8
194.01869	0.5
194.99377	1.6
198.03259	0.8
198.75819	0.6
199.04044	1.0
201.01920	2.9
202.02698	15.3
203.03036	1.3
211.04010	0.5
213.01924	1.6
214.02715	4.7
225.02036	0.5
227.03441	0.7
227.12918	0.5
229.01418	1.0
230.02171	5.6
231.02536	0.6
240.00780	0.5
241.01465	0.8
242.02170	4.5
243.02863	0.4
255.03035	0.9
257.00909	1.4
258.01666	6.1
267.03006	0.9
268.00253	0.5
269.00873	0.5
270.01779	1.2
271.02347	1.0
283.02469	5.2
284.02820	0.6
285.00482	0.6
285.03790	0.9
286.01181	12.3
286.04163	0.8
287.01566	1.4
297.00336	1.7
298.04803	0.8
300.02908	0.5
301.03464	3.2
311.01932	9.6
312.02435	1.1
314.00671	42.1
315.00943	4.9
315.19714	0.8
325.03702	0.6
329.03006	100.0
330.03357	12.1
343.04620	1.1
344.02045	0.9
344.05331	51.6
345.05695	5.3
359.07687	91.8
360.08041	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	358.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.4
55.03787	1.2
57.03441	2.3
58.00584	1.5
59.01379	44.6
61.98826	2.5
69.47440	2.8
69.47839	6.9
71.01381	29.0
72.99307	11.2
73.02919	1.8
74.02464	1.5
80.05070	6.6
83.01395	1.3
85.02951	5.3
87.00874	53.6
89.02442	26.5
89.02946	2.5
91.05582	1.3
95.01427	2.1
96.96006	3.7
98.20716	2.8
99.04431	1.6
101.02438	15.5
103.92043	1.9
104.03490	1.3
108.04567	3.7
109.02972	1.6
113.02446	8.4
119.03498	10.2
120.04548	5.4
121.05343	3.1
122.06120	10.9
123.04533	3.9
124.03999	1.7
125.02409	1.3
133.39093	1.3
135.03468	2.2
135.04527	16.4
136.04022	4.9
137.02475	2.6
137.04796	3.2
143.00000	1.6
143.03505	1.8
148.04012	3.1
149.02420	2.1
149.04794	15.7
150.01949	1.4
150.05614	14.2
151.03946	1.7
151.05919	1.4
152.07137	1.5
153.01904	8.3
160.04033	3.6
161.02457	1.2
161.04622	2.0
163.80052	1.3
164.03516	9.0
164.04822	10.4
167.07181	4.2
170.58760	1.2
177.04306	40.0
177.05797	2.4
178.05093	39.6
179.03552	10.8
179.05539	3.7
179.07066	12.8
181.03783	9.8
182.02228	2.0
182.05838	7.6
197.04599	13.9
197.06355	1.5
197.06671	1.3
197.08160	10.0
217.00145	1.5
340.10339	23.7
341.08893	4.6
358.11487	100.0
359.10010	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	359.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12808	0.5
54.36532	0.4
54.56763	0.5
55.62445	0.4
59.01378	85.4
60.01702	0.7
61.98835	3.7
68.38760	0.5
69.17260	2.5
69.17684	1.9
70.82310	0.5
72.99316	1.0
90.97144	1.3
98.20657	1.1
127.36868	0.5
132.98203	1.9
157.03561	2.8
159.01506	1.8
174.99252	21.4
175.99580	1.0
201.02551	23.9
202.02713	3.4
204.59921	0.5
217.00284	100.0
217.97961	1.3
218.00647	3.1
228.48564	0.5
251.09016	0.5
274.99536	2.5
275.99536	0.9
317.00623	3.6
318.00867	1.4
359.01599	9.4
360.01852	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	357.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.2
59.01374	1.4
74.16364	0.9
85.06586	3.9
87.00871	7.4
90.53712	1.0
98.20474	5.0
108.02216	0.8
112.20018	0.9
121.02952	5.3
122.51500	0.9
223.20662	2.0
251.20163	1.4
253.21753	6.7
267.27115	1.1
277.54813	0.9
293.24893	3.2
294.24973	1.0
295.26410	100.0
296.26767	11.8
357.05719	1.1
357.16687	1.4
357.20401	3.4
357.26407	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	357.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63196	8.0
57.54960	8.6
59.01375	100.0
61.98823	13.2
69.36433	71.3
78.41720	11.8
98.19872	10.7
121.02938	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	357.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60900	1.1
59.01380	100.0
60.01704	1.5
66.43809	1.3
69.47143	8.7
71.01371	3.2
79.95731	2.7
81.95325	7.2
85.02932	1.6
91.54740	1.3
92.78042	1.4
95.66145	1.1
99.12325	1.1
101.02464	3.5
104.86362	1.3
108.02097	1.2
116.10027	1.1
116.43764	1.3
120.99698	1.6
121.02966	92.1
122.03288	4.9
161.04538	1.5
163.03996	2.8
178.06328	1.7
179.07272	1.3
180.05765	1.7
180.07243	1.3
181.06593	6.5
225.05539	6.4
260.01599	3.7
313.07089	7.3
315.17978	4.4
357.06058	26.2
357.26688	1.7
358.06180	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	4.3
61.98824	2.7
65.65691	1.9
65.88451	1.8
71.53364	2.5
99.04479	2.4
109.71223	2.6
121.02977	13.9
151.03906	2.9
156.67517	2.3
181.06575	2.3
200.20262	2.4
313.18057	5.1
313.21716	95.6
314.22052	13.2
332.86185	2.4
357.06042	5.2
357.17087	7.0
357.20728	100.0
358.20798	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	357.2644
Annotation	16,17,18,20-Tetrahydroxy-10,11,14,15-tetrahydronerylgeraniol
Peak:m/z	Relative Intensity
52.42396	0.5
59.01380	36.6
60.01706	0.6
61.82665	0.5
69.22830	0.9
69.23238	3.9
80.24915	0.5
104.82507	0.5
150.28831	0.5
251.23912	0.6
253.25449	0.9
263.49829	0.5
277.25314	4.9
278.25977	0.6
279.23230	1.1
295.26407	36.4
296.26721	5.4
297.24329	87.0
298.24692	11.7
339.25394	14.2
340.25781	2.1
357.26437	100.0
358.26773	12.6
372.40256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
69.47752	1.0
69.54762	6.1
71.01382	5.3
73.02940	2.9
77.51653	1.0
79.53866	1.0
81.64149	1.0
83.45621	0.8
85.02940	3.8
85.03396	1.1
89.02451	1.2
96.95969	1.8
98.20631	1.8
101.02433	3.9
106.06620	2.6
113.02431	2.7
118.02029	1.0
118.06628	1.3
120.99642	1.5
142.11838	0.9
149.04532	2.8
151.03989	1.1
161.04524	3.6
163.11249	2.0
176.63721	1.0
180.06624	3.5
181.12344	20.9
182.12666	2.2
203.80141	1.0
225.11327	16.0
226.11723	1.6
285.13147	0.9
313.11911	3.2
315.18033	4.9
357.15332	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	357.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01696	2.1
68.90791	1.1
70.30663	4.0
71.01388	2.1
73.02946	1.7
74.92525	1.0
79.95759	2.1
81.95303	6.9
83.01369	2.1
84.48268	1.2
93.03415	1.1
98.20582	1.1
101.02467	2.9
107.38778	1.2
108.02190	1.4
108.45316	1.3
113.02462	1.8
120.19489	1.1
120.99628	1.5
121.02956	81.7
122.03291	3.5
129.43010	1.3
135.80566	1.1
161.04451	1.3
162.89420	1.3
163.03976	2.1
178.06342	2.1
181.06544	4.9
188.79120	1.3
225.05595	7.4
260.01825	5.4
297.17026	1.4
312.70511	1.3
313.07065	6.2
315.18085	4.6
357.06061	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	357.1704
Annotation	(+)-Ar,11S-Myricanol
Peak:m/z	Relative Intensity
59.01368	1.6
59.92948	0.5
65.29681	0.6
69.16473	1.5
69.16879	5.4
83.04990	0.7
84.05824	0.7
96.01383	0.6
121.02939	1.7
157.06528	0.8
170.67857	0.6
171.04538	0.8
173.06085	1.4
177.89903	0.6
187.07611	2.0
188.04523	0.7
199.03981	1.0
199.07599	1.9
200.04732	2.0
201.05603	4.1
201.09196	9.3
202.06244	1.1
213.05484	0.7
213.09250	1.5
214.06296	1.4
215.07106	6.1
227.07175	0.9
227.14403	1.1
228.07849	1.3
229.05019	1.7
229.08675	15.5
230.05632	1.0
230.09311	2.0
241.08670	1.7
243.06680	1.7
253.12407	1.0
257.08270	1.5
258.09015	1.0
270.12418	0.7
290.46545	0.7
299.12933	2.8
313.14349	2.0
327.12314	1.7
327.15863	1.4
328.13251	1.4
328.16760	12.6
329.17169	3.5
357.17056	100.0
358.17395	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	357.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.1
59.01379	100.0
60.01715	1.0
62.77598	1.2
70.59327	2.6
70.59680	1.5
71.01378	5.2
73.02934	2.7
83.63824	1.2
85.02945	1.8
89.09664	0.9
93.18370	1.0
99.04512	6.3
101.02433	2.0
110.07022	1.2
110.79465	1.0
120.99645	1.6
161.04535	1.4
170.24422	1.0
181.12317	2.2
192.19374	1.0
198.82649	1.1
225.11244	2.2
234.48331	1.1
253.18004	3.0
297.16968	2.6
315.17966	4.3
357.18088	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00683	0.5
59.01380	100.0
60.01726	1.6
61.84903	0.6
71.01389	3.8
73.02965	2.0
83.01405	1.0
85.02926	3.1
99.00919	0.9
101.02432	3.4
108.23632	0.6
113.02453	1.5
129.01955	1.7
147.03026	2.1
155.97324	0.6
161.04587	2.5
165.12869	1.4
169.69600	0.6
183.13959	2.4
209.11717	0.9
227.12971	1.7
265.82907	0.6
315.18140	6.7
357.15515	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.171
Annotation	Sphenanlignan
Peak:m/z	Relative Intensity
59.01381	3.2
83.05016	1.9
114.26556	1.5
121.02938	8.2
168.66777	1.5
171.04558	3.1
172.05211	2.7
173.06033	1.9
185.06075	4.6
186.06815	3.7
187.07672	2.0
199.03929	1.5
199.07614	4.8
201.05650	2.0
213.05528	1.9
213.09227	8.0
214.09834	3.0
215.10727	3.1
225.09171	2.4
226.06285	2.0
226.09926	2.0
227.07109	3.3
228.07906	4.2
239.14404	4.9
240.11499	5.9
241.08644	9.5
241.12245	2.3
242.09422	3.9
243.10326	7.5
243.13719	1.8
253.08701	18.2
253.11310	2.2
253.12215	1.8
254.09348	3.1
255.13882	3.8
256.10892	1.4
263.43692	1.5
265.12241	1.9
267.10281	4.8
268.11041	2.0
281.11862	6.0
282.12433	3.8
283.10251	2.8
283.13391	45.4
284.13806	4.8
289.42148	1.4
295.22748	4.9
297.11411	2.2
299.12921	5.6
313.06741	1.7
314.15408	1.6
314.18951	1.7
317.21130	5.1
327.15970	3.7
339.15948	3.0
357.06097	3.5
357.17053	100.0
357.20529	4.3
358.17456	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	357.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19973	0.9
59.01373	2.1
69.03451	1.0
70.95290	1.4
70.95621	1.4
73.02947	16.7
74.91582	0.9
79.35751	1.0
95.05019	2.5
105.96895	1.0
113.06077	1.3
131.03494	1.6
140.73103	0.9
151.44868	0.9
153.94836	0.9
157.03362	1.0
163.11313	12.1
165.12881	1.1
175.69452	0.8
181.12343	100.0
182.12659	6.7
183.13943	2.0
207.10263	3.8
225.11314	97.4
226.11624	8.4
227.12822	1.6
332.06219	0.9
357.15543	19.3
358.15860	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	357.1706
Annotation	Cryptomoscatone F1
Peak:m/z	Relative Intensity
57.03444	1.0
59.01374	1.5
60.96721	0.7
69.23979	6.4
72.99303	0.9
83.05025	1.8
94.20915	0.8
97.06625	0.8
104.05066	0.6
109.02951	0.8
119.05027	1.0
121.02960	4.5
145.02885	0.8
151.04027	0.9
157.06599	0.9
158.03682	1.0
158.07329	0.8
159.04491	0.7
161.06107	1.1
163.03973	1.0
171.04483	2.1
172.05276	2.7
173.06038	4.7
185.06068	4.2
185.09761	0.8
186.03171	0.7
186.06871	1.5
186.35307	0.7
187.03979	1.3
187.07539	1.7
187.11234	0.7
198.06741	1.5
199.04027	1.2
199.07620	4.3
200.04727	2.9
201.05550	5.6
201.09126	3.8
202.06216	2.3
203.06969	1.1
213.09235	3.5
214.06235	0.8
215.07050	3.2
215.10713	2.0
216.07817	0.8
225.09206	1.1
226.09796	0.6
228.07985	1.7
229.05086	1.3
229.08698	6.8
230.05788	1.2
230.09520	1.5
231.10280	1.2
239.10568	0.8
241.08864	0.8
242.09366	0.8
243.06691	0.9
243.10252	1.7
255.13948	1.1
257.08173	1.0
258.08752	0.8
271.13416	6.3
272.14063	2.3
284.14346	1.0
285.18466	1.7
298.15863	1.8
299.12869	4.5
299.16223	1.4
300.13553	2.4
301.14410	1.6
313.14621	1.5
313.18054	6.4
314.15222	0.9
314.18530	0.8
315.15933	0.8
327.12350	6.6
327.15781	1.6
328.13080	11.3
328.16837	11.4
329.13620	1.0
329.17477	5.1
357.17041	100.0
358.17371	13.2
358.21365	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.9
59.01379	3.4
63.82092	0.5
63.96269	1.5
69.03473	0.8
71.01387	0.5
71.52420	0.8
73.02950	9.0
79.95753	1.2
80.96539	0.7
83.05041	0.5
83.47124	0.5
87.04550	0.8
95.05038	0.7
96.96012	11.6
96.96585	0.7
101.02481	1.8
131.03531	2.0
135.04572	0.6
136.01659	3.3
139.00406	0.6
149.04593	0.9
151.03995	3.4
153.01942	2.1
163.11281	5.7
181.12337	100.0
182.12683	6.6
183.53401	0.5
189.12909	1.0
225.11313	38.9
226.11575	2.4
277.10837	2.7
299.81628	0.5
315.18115	0.6
342.11057	0.7
357.12091	15.7
357.15393	1.5
358.08658	0.5
358.12515	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	357.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.0
69.03457	3.0
69.42788	12.6
71.01359	2.2
73.02948	17.8
77.94663	1.6
88.40580	1.7
89.02469	8.1
90.52514	1.5
103.03997	2.6
120.85494	1.4
125.01216	1.5
131.03468	1.8
136.01637	2.1
149.04549	42.0
150.04881	2.4
151.04016	2.6
152.30750	1.6
163.11255	7.2
177.37802	1.5
181.12340	98.3
182.12695	6.9
207.10336	3.9
225.11310	100.0
226.11658	9.1
357.15512	20.9
358.15961	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	357.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54269	0.4
53.48314	0.4
59.01370	2.3
69.03443	1.4
69.78301	0.9
69.78710	1.3
71.01417	0.5
73.02552	0.8
73.02942	11.1
121.38856	0.4
131.03542	0.7
136.99338	0.4
144.34599	0.4
163.11270	5.7
164.11630	0.6
181.12332	100.0
182.12669	7.0
197.24828	0.4
225.11302	29.0
226.11629	2.3
270.82990	0.5
357.15506	8.5
357.27234	0.4
358.15903	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.134
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
59.01377	2.8
64.13944	0.2
67.01884	0.3
69.03456	0.5
69.41747	1.6
71.01385	0.4
73.02948	0.3
79.54841	0.2
84.02162	0.5
85.02958	1.0
85.07864	0.2
93.03459	1.5
95.01398	0.3
107.05032	0.3
108.02177	2.0
108.08202	0.5
109.02950	0.7
111.08176	0.4
121.02958	8.8
121.06557	0.3
122.03078	0.2
122.03771	3.3
123.00903	0.3
123.04512	0.3
124.01643	0.7
127.59684	0.2
129.03883	0.3
134.03700	1.0
135.04549	0.5
136.01659	78.5
137.02110	3.1
145.06631	0.3
147.04398	0.2
149.02477	0.3
149.06001	0.3
151.04002	100.0
152.04343	5.2
152.07158	0.3
154.02682	0.5
159.04498	0.8
160.05327	1.2
161.02470	0.7
161.06055	0.4
162.03209	1.3
163.04012	1.2
164.04797	0.3
175.03990	0.9
175.07582	1.3
176.04729	0.4
177.05576	1.1
179.03514	0.6
180.04015	0.2
187.04016	0.6
188.04689	0.4
189.05635	1.0
190.06297	0.4
191.55879	0.2
195.06609	0.2
196.06219	0.3
197.07317	0.2
200.13660	0.2
203.07104	0.3
211.17538	0.2
222.35164	0.2
225.11253	0.7
296.10428	0.3
311.12769	0.9
314.21088	0.2
315.14444	0.6
315.18262	0.2
337.62311	0.2
342.11069	4.3
343.11407	0.6
357.13406	18.4
358.13699	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	357.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	100.0
59.01378	49.3
70.84251	3.7
70.84600	4.5
71.01380	15.2
72.99308	3.1
75.02419	3.1
80.96494	2.0
84.41452	2.2
85.02961	2.6
87.00839	2.8
89.02460	15.4
93.03467	2.9
96.96030	3.6
99.04514	62.1
101.02442	28.6
109.02951	3.5
110.00081	4.3
111.00854	2.7
113.02473	7.3
116.07124	2.9
118.98100	7.9
119.03468	7.9
121.02963	5.4
122.03699	2.6
123.04499	7.0
125.02415	9.6
132.02168	5.3
134.03755	2.6
135.04506	20.5
136.01669	19.5
136.05249	2.3
137.02460	3.3
137.99667	2.8
139.00374	5.3
145.02997	2.8
147.04527	8.6
149.02505	2.3
149.06169	3.0
150.03239	15.6
151.04024	19.3
153.01959	25.3
153.05554	32.7
154.02687	4.7
154.05844	2.2
161.04550	82.4
161.05904	5.4
162.03227	50.4
162.04634	3.9
163.03735	3.8
165.05583	27.0
166.05917	3.2
177.05565	63.7
178.05890	2.6
180.04294	13.6
195.06631	72.7
196.06976	5.7
213.07674	4.2
213.26572	2.2
219.69998	2.7
237.07701	3.7
277.10892	4.0
357.10376	5.2
357.21243	3.2
358.09174	3.2
358.20059	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	357.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08702	0.9
57.03435	3.0
59.01378	11.4
61.98823	2.0
64.84934	1.0
65.03953	1.6
66.90651	0.9
70.13089	1.1
71.01388	10.3
71.50763	1.9
72.99269	1.4
73.02938	2.3
75.00869	3.4
83.01399	1.0
85.02944	4.2
87.00874	2.4
89.02438	1.7
92.43761	0.9
93.03460	31.3
94.03776	1.2
95.05058	1.7
96.96010	11.4
99.04485	1.3
101.02440	5.7
107.05032	98.8
108.01463	1.6
108.02178	20.3
108.05356	4.0
109.02937	4.4
113.02435	3.7
121.02979	5.4
123.04527	7.4
125.02402	1.0
128.33354	1.1
133.02959	1.8
135.04533	7.3
137.02473	6.6
149.02431	12.3
149.06036	1.6
150.03238	1.3
150.06848	1.7
151.04015	36.2
151.07645	63.4
152.01132	14.5
152.04384	1.7
152.07993	3.2
153.01823	2.9
161.04533	5.6
162.03169	1.9
163.03989	1.5
177.05582	3.6
180.04327	1.2
195.02908	2.7
195.04820	2.2
195.06619	42.8
196.06996	2.8
206.66107	1.1
251.69711	1.1
271.51767	1.0
297.06219	1.6
313.09271	9.4
314.09610	1.2
357.08206	100.0
357.11963	18.4
358.08545	8.8
358.12085	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1191
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
59.01356	1.0
59.81844	0.5
69.97699	2.1
75.63498	0.6
96.01171	0.5
97.29687	0.6
124.01653	0.5
151.03955	1.0
152.04761	1.1
179.03441	2.6
180.04277	100.0
181.04643	5.3
194.05804	0.8
195.06618	96.4
196.06931	6.8
297.65067	0.5
337.60251	0.6
353.79868	0.6
357.11896	16.7
358.12204	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	357.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73558	1.0
57.03396	1.3
59.01379	38.1
66.91175	1.0
69.51562	6.8
71.01015	1.4
71.01379	21.0
72.99299	3.2
82.97528	1.0
83.01405	1.7
85.02946	4.9
87.00867	1.5
89.02444	21.7
95.01375	1.8
96.96001	1.2
101.02447	14.2
108.02130	1.5
109.02904	1.6
110.00144	1.4
112.24196	1.2
113.02453	6.2
117.86145	1.0
118.98093	7.2
119.03496	9.4
121.02917	1.8
123.00787	1.2
125.02455	1.6
131.03433	1.4
134.03738	1.9
135.04535	7.8
136.01631	5.8
136.05283	2.5
137.99544	1.9
139.00319	3.3
149.74504	1.0
151.03998	9.7
151.07635	1.6
153.01971	10.4
153.05537	8.4
158.59929	1.1
161.02448	2.7
162.03220	74.6
163.03676	5.8
177.05556	100.0
178.05928	7.2
179.05594	2.0
180.04199	5.1
195.06596	24.7
196.06961	1.8
227.08153	1.2
262.50348	1.0
264.11789	1.2
303.68246	1.2
313.05017	1.6
327.12186	2.1
357.09711	7.5
357.21597	2.1
358.08890	1.5
383.51056	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	355.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.2
62.11546	1.0
65.31590	0.8
68.61971	0.8
69.03456	3.1
69.53424	2.3
69.53829	4.4
71.01398	2.5
73.02947	2.1
85.02957	1.5
89.02442	1.9
93.03479	1.0
93.49321	1.0
98.19910	2.0
120.99666	1.3
131.03508	2.0
133.10217	1.6
135.11792	18.8
136.12186	1.2
148.17413	0.9
149.04588	6.8
161.09691	2.9
179.10767	100.0
180.11111	8.3
223.09747	23.1
224.10091	2.7
330.12775	1.1
335.99747	0.9
355.14090	7.6
355.17630	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	355.176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67501	1.6
59.01380	100.0
60.01719	1.7
69.34273	13.0
71.01380	6.2
73.02950	3.5
89.02451	7.0
98.19855	3.2
101.02467	3.8
105.56910	1.6
113.02449	3.1
135.11905	1.6
137.15782	1.5
149.04556	24.3
161.04497	1.8
175.04045	2.0
179.10747	13.9
214.67284	1.6
223.09758	3.1
355.13971	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	356.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95219	4.8
61.98824	78.4
69.94683	10.8
69.95078	11.4
121.02965	9.2
129.94830	4.9
161.16435	4.8
201.05634	10.7
215.07236	5.8
271.13361	8.0
272.14319	5.8
299.12994	10.5
301.14664	7.0
313.18033	10.2
327.12335	23.3
328.13107	17.6
329.17593	8.9
342.18167	5.6
357.17105	100.0
357.21091	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	357.0616
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
55.89078	0.3
57.02874	0.3
59.01373	3.6
59.48768	0.3
63.49276	0.3
70.03224	1.3
71.01341	0.4
79.95729	1.2
81.95322	1.6
82.84919	0.3
93.03429	0.5
96.02428	0.3
97.06604	0.5
99.04494	0.4
108.02164	0.4
121.02956	100.0
122.03270	4.4
136.07619	0.6
141.03062	0.3
148.22060	0.3
150.47702	0.4
160.56422	0.4
161.45732	0.3
163.04037	1.1
164.04767	1.0
165.01860	0.9
178.06465	0.6
179.07103	0.9
180.05751	1.9
181.06602	6.4
182.06995	0.6
225.05569	6.2
226.05920	0.7
259.90268	0.5
260.01730	1.3
313.07153	7.4
314.07556	0.9
357.06128	27.7
357.26309	1.0
358.06409	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1033
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
55.25949	0.4
56.84673	0.4
59.01355	0.5
62.40380	0.4
70.84396	0.8
71.01407	0.4
93.03439	0.8
100.57366	0.3
108.02174	0.8
109.49979	0.3
121.02907	0.5
122.03693	0.5
123.04485	0.4
134.03719	1.5
149.02400	3.4
149.06058	1.0
150.03253	2.6
153.37584	0.4
161.02432	0.8
177.01924	12.8
178.02707	88.3
179.03038	5.1
191.75743	0.4
192.04248	1.6
193.05043	100.0
194.05383	7.3
203.04184	0.4
355.10321	19.8
356.10614	2.5
372.59036	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41890	4.2
57.03432	12.3
59.01365	16.7
59.88422	3.8
68.29398	4.1
69.03449	6.7
71.01390	4.7
71.05016	7.0
71.52354	6.9
73.02931	6.1
79.05540	49.0
80.02663	5.2
81.03446	5.6
83.05035	24.6
83.93659	4.5
87.00876	5.6
90.24620	4.6
93.03472	8.2
95.05036	54.6
96.95997	38.3
97.06586	13.1
98.00104	38.8
106.06622	39.8
120.99601	8.6
121.06599	4.9
122.03738	6.8
123.08164	9.2
125.09738	47.6
128.03502	7.1
135.04512	4.6
136.90286	5.5
139.04005	13.7
141.05510	5.6
149.06041	8.1
150.05615	29.5
150.06657	5.1
157.08255	4.8
171.10255	97.7
179.10756	5.5
183.29970	4.4
187.14940	7.5
193.05020	14.3
203.14372	6.2
205.15950	68.2
206.16241	6.1
208.10979	5.0
209.11806	45.9
221.15446	12.5
223.09767	5.9
223.17018	70.5
224.17410	7.3
227.45042	4.5
231.13838	33.4
232.14406	5.3
239.16484	47.9
240.16866	4.7
249.14957	100.0
250.15227	8.2
267.15961	34.4
290.95966	4.2
293.13925	13.1
311.14981	84.5
312.15359	9.1
328.19312	4.6
355.13773	14.7
355.17838	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78764	1.1
71.51403	1.2
79.95741	13.8
80.96536	1.4
87.00838	1.1
87.68896	1.0
94.98065	2.2
95.95208	2.7
96.96009	97.7
97.95942	1.3
111.03185	1.2
122.97536	4.6
175.48741	1.0
176.98235	1.1
183.01154	4.5
191.05510	3.3
199.84648	1.1
249.63431	1.0
353.19974	100.0
354.20398	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	353.2119
Annotation	Guayulin B
Peak:m/z	Relative Intensity
52.88124	0.3
79.95731	2.2
85.49744	0.3
94.98078	0.3
96.96005	15.2
103.93057	0.3
122.97563	0.8
131.37451	0.3
147.08194	0.6
148.08990	0.3
163.11276	100.0
164.11598	6.1
175.07568	0.4
177.09195	75.5
178.09523	4.9
183.17641	0.3
191.05579	0.4
222.08937	0.5
224.91840	0.3
341.08487	0.3
353.21124	95.7
354.21509	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	355.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25761	5.1
71.05021	2.2
76.40134	0.6
79.95737	100.0
80.96542	0.7
97.06590	22.2
100.85574	0.7
117.03441	1.1
119.05045	2.1
145.02979	2.7
149.04530	1.1
157.81731	0.6
162.03220	3.8
163.04010	21.3
164.04279	1.4
177.05545	5.8
178.06351	25.7
179.06732	1.8
179.14404	3.7
188.01225	0.6
206.57196	0.6
223.13441	3.2
258.02017	65.8
259.02304	5.3
260.63742	0.6
275.12897	2.6
310.05997	0.6
355.08530	16.2
356.08990	1.7
357.50638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0876
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
59.01387	1.5
69.44791	1.7
70.63746	0.3
71.01389	0.9
85.02456	0.6
85.02950	9.0
87.00865	2.0
93.03454	3.1
96.96016	0.3
99.04502	0.3
103.89075	0.3
105.68963	0.3
109.02944	0.7
111.04514	0.9
112.22223	0.3
126.53612	0.3
127.04036	2.0
129.89886	0.3
133.02904	0.6
135.04520	1.0
161.02461	2.0
166.85428	0.3
171.02983	0.5
173.04549	1.0
178.92285	0.3
179.03514	1.0
191.05609	100.0
192.05940	4.2
353.08728	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15995	1.5
53.63128	1.6
57.03452	2.2
59.01369	3.7
69.03447	8.1
71.30242	2.3
73.61555	1.8
74.02473	2.3
74.99094	85.6
76.02954	1.7
83.05028	3.7
85.02959	2.7
93.03453	3.0
96.96010	47.1
99.04476	2.2
111.04457	2.3
120.99633	3.9
121.06599	2.8
133.10262	2.8
134.03757	1.7
135.04506	5.6
135.08147	3.1
145.10182	1.6
149.06117	2.2
151.07607	14.1
155.08659	1.8
159.08206	1.8
159.11760	1.8
171.10478	2.3
171.11780	12.8
172.12219	1.8
173.04556	3.6
173.09633	7.4
179.03470	5.1
187.11311	4.4
189.12843	46.0
190.13123	3.6
191.04022	2.1
191.05620	26.8
215.10765	5.2
233.11783	20.8
233.32558	2.2
251.18713	1.7
277.10788	100.0
278.11203	9.8
309.13693	5.9
353.12900	31.5
354.12872	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	353.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01410	0.8
59.01374	3.2
67.01889	5.3
69.03471	1.1
71.00434	0.8
71.00778	1.6
71.01383	3.3
81.03445	1.3
83.05019	1.3
85.02943	10.9
87.00880	2.7
93.03452	29.1
94.03809	1.0
99.04493	1.2
99.94043	0.8
107.05006	1.7
109.02930	2.4
111.00910	0.8
111.04511	5.5
113.02475	1.2
126.46457	0.8
127.04041	1.6
133.02971	1.3
134.03703	4.5
135.04523	75.9
136.04836	3.5
137.02432	6.7
155.03508	5.8
161.02371	4.3
173.04538	100.0
174.04930	4.6
179.03493	68.3
180.03844	3.4
191.05602	66.5
192.05998	2.9
212.00473	0.8
345.44614	0.8
353.08786	11.9
354.09003	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	353.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50438	0.3
59.01374	1.2
61.80035	0.3
67.01881	0.4
69.03444	0.3
69.57664	0.9
69.58071	1.2
71.01374	0.6
71.22150	0.3
80.50736	0.3
81.91132	0.3
82.82930	0.3
83.05021	0.5
85.02947	8.1
86.03249	0.4
87.00877	2.1
93.03438	3.3
99.00924	0.4
99.04484	0.4
109.02935	0.8
111.04508	1.2
127.04003	2.2
133.02983	0.9
135.04510	2.3
161.02455	1.3
168.89377	0.3
173.04536	1.7
179.03510	2.1
191.05611	100.0
192.05937	4.5
247.85645	0.3
353.08713	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0879
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
54.98608	0.5
57.03442	0.5
59.01387	4.0
65.77055	0.5
69.77928	1.6
69.78341	1.5
71.01359	1.2
81.03432	0.6
83.05040	0.9
85.02950	8.0
87.00870	1.5
93.03452	3.8
99.04489	0.7
99.94222	0.5
107.05041	0.8
111.03799	0.5
111.04510	1.7
117.03445	0.6
123.04523	2.6
127.03993	1.7
133.02916	1.1
134.03738	5.4
135.04529	48.7
136.04854	2.4
137.02362	0.6
153.05573	5.5
155.03526	1.1
161.02443	2.9
173.04514	1.5
179.03494	42.4
180.03845	2.3
191.05608	100.0
192.05971	4.1
220.45132	0.6
315.10776	1.3
353.08704	8.8
354.09171	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0877
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
54.00761	0.4
55.30243	0.5
59.01371	1.8
62.62089	0.4
69.33219	3.7
71.01385	0.9
71.87009	0.5
73.37417	0.4
83.05045	0.7
85.02956	9.1
87.00871	1.6
88.51472	0.5
93.03460	4.1
98.66572	0.5
109.02956	1.2
111.04483	1.2
127.04002	2.1
133.02937	0.8
135.04523	5.5
137.02498	0.6
161.02412	1.3
171.02936	0.6
173.04530	5.5
179.03526	5.2
191.05620	100.0
192.05946	4.9
255.84454	0.5
289.27524	0.5
353.08920	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	353.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58513	0.3
53.73647	0.3
59.01368	1.2
61.28498	0.3
71.01373	0.8
71.27895	0.6
73.02949	0.4
78.46359	0.3
81.76311	0.3
85.02948	8.8
87.00873	1.5
93.03462	3.4
99.04510	0.5
109.02965	0.8
111.04529	1.4
127.04002	2.1
133.03003	0.4
135.04549	2.3
149.02277	0.3
160.22853	0.4
160.37762	0.3
161.02449	2.3
173.04565	2.2
179.03511	1.7
191.05606	100.0
192.05946	4.5
200.55269	0.3
233.30353	0.3
259.11624	0.3
346.80658	0.3
353.08813	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2175
Annotation	8-iso PGF3alpha
Peak:m/z	Relative Intensity
50.71539	0.2
51.30872	0.2
51.88432	0.2
59.01366	0.6
66.95106	0.2
69.23508	1.2
69.23938	0.8
71.01359	0.5
73.02961	0.3
80.96527	0.3
85.73355	0.2
87.00863	0.2
88.04031	0.5
93.03427	0.2
96.96006	1.6
109.02902	0.2
132.03540	0.2
133.02951	0.6
135.04530	0.4
138.05634	0.2
161.04597	0.2
161.65747	0.2
164.90622	0.2
166.05196	0.3
173.04469	0.2
176.03999	0.3
191.05666	0.5
215.05556	0.2
263.13214	0.3
275.20108	0.4
277.21753	0.3
287.20279	0.5
289.11795	0.3
289.21719	0.4
307.12894	0.4
307.22681	0.3
314.20706	0.2
351.21735	100.0
352.22064	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	351.2174
Annotation	13,14-Dihydro-15-keto-PGE2
Peak:m/z	Relative Intensity
59.01382	4.9
61.98811	0.4
71.01371	0.5
71.52121	0.9
79.95737	1.1
85.51063	0.5
95.95235	0.5
96.96011	11.0
125.66765	0.5
133.02921	0.5
162.19971	0.4
173.04652	0.5
217.24803	0.5
227.65109	0.4
231.10229	1.1
259.28592	0.4
268.66910	0.4
305.21201	11.3
306.21503	1.2
307.22797	2.3
319.75528	0.4
333.20697	80.3
334.21021	9.4
348.30481	0.4
351.21747	100.0
352.21896	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2175
Annotation	13,14-Dihydro-15-keto-PGE2
Peak:m/z	Relative Intensity
54.75154	0.6
56.77636	0.5
59.01383	4.8
65.62760	0.5
70.47909	1.5
70.48235	0.6
88.75050	0.6
89.54491	0.6
96.96043	0.9
99.00912	0.5
101.27720	0.5
108.93705	0.5
109.94308	0.6
135.84915	0.5
147.80557	0.6
175.58466	0.6
201.02078	0.7
307.22763	4.4
333.20685	24.2
334.21268	3.0
351.21750	100.0
352.22107	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	351.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
77.71540	0.2
78.74445	0.2
82.18989	0.2
82.29793	0.2
83.05051	0.2
85.02959	0.3
93.03431	0.4
96.96011	0.4
101.06079	0.8
109.02958	0.4
127.03976	0.2
132.63824	0.2
133.02940	1.1
135.04533	0.7
137.09746	0.4
138.08990	0.2
173.04475	0.4
179.03415	0.3
191.05624	0.7
215.05513	0.3
275.20099	1.7
276.20297	0.3
291.19662	7.1
292.19958	0.7
321.20691	19.1
322.21060	2.1
323.22223	0.7
351.21747	100.0
352.22089	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	351.2174
Annotation	Thromboxane A2
Peak:m/z	Relative Intensity
57.03441	4.5
58.55112	0.8
59.01383	4.7
61.02532	0.8
69.15791	1.2
69.16196	9.3
83.01387	7.6
83.22297	0.9
90.47035	0.8
96.95981	1.0
114.12920	1.1
123.14520	1.0
223.20647	24.0
224.20976	1.6
237.18585	3.3
247.20717	2.4
249.18671	2.3
263.23770	5.0
265.21716	50.1
266.22144	5.2
267.19601	1.4
275.20102	1.6
279.23215	2.5
283.22787	10.2
289.21741	4.4
293.21347	1.6
307.22812	71.1
307.26321	6.4
308.23190	8.2
351.17279	8.7
351.21719	100.0
352.22025	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	351.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.1
59.01380	48.6
69.82613	4.8
71.01379	22.2
72.99321	2.2
73.02604	0.9
73.02956	4.8
79.95722	2.1
80.96513	3.0
81.62325	0.9
83.01387	1.3
85.02946	5.9
87.00886	2.4
89.02444	17.1
91.18545	0.9
93.03451	2.8
95.01386	2.9
96.96011	3.9
101.02443	12.7
101.06084	1.5
105.03471	1.6
107.30892	0.9
109.02932	1.1
111.04543	1.1
111.08125	1.1
113.02443	7.3
119.03509	7.1
122.06100	1.5
127.07610	2.0
129.09192	2.8
133.02951	5.6
135.04550	2.5
139.11279	1.0
141.09209	1.6
143.10776	1.6
149.04767	1.0
149.61476	0.9
171.10265	26.6
172.10620	1.3
173.04572	3.0
177.01921	2.4
187.09831	1.3
189.11363	5.5
191.05525	4.4
201.11290	1.6
212.05510	1.4
215.05681	1.5
219.12352	29.7
220.12747	2.4
240.94341	1.0
294.76501	0.9
307.13010	1.8
351.07303	2.5
351.11722	5.6
351.16586	100.0
352.16922	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	351.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46964	0.9
59.01377	100.0
59.40600	0.8
60.01713	1.0
65.08412	0.9
68.68099	0.8
69.52860	4.5
69.53268	2.1
96.95982	1.9
104.09683	1.0
107.94818	1.0
114.86919	0.9
115.65292	0.9
117.00882	1.0
129.76167	0.9
133.62485	0.8
135.78539	1.1
200.91638	0.9
203.11028	4.4
246.84563	0.8
263.13196	2.9
279.80203	1.0
351.11063	1.9
351.14783	9.1
351.21780	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	351.2175
Annotation	8-iso PGF3alpha
Peak:m/z	Relative Intensity
59.01381	0.5
77.71540	0.2
78.74445	0.2
82.18989	0.2
82.29793	0.2
83.05051	0.2
85.02959	0.3
93.03431	0.4
96.96011	0.4
101.06079	0.8
109.02958	0.4
127.03976	0.2
132.63824	0.2
133.02940	1.1
135.04533	0.7
137.09746	0.4
138.08990	0.2
173.04475	0.4
179.03415	0.3
191.05624	0.7
215.05513	0.3
275.20099	1.7
276.20297	0.3
291.19662	7.1
292.19958	0.7
321.20691	19.1
322.21060	2.1
323.22223	0.7
351.21747	100.0
352.22089	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	351.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78428	1.7
57.03442	1.3
58.91035	1.7
59.01379	100.0
61.98814	4.4
67.37115	1.4
71.01382	29.1
71.50484	1.8
72.99289	4.7
73.02946	2.0
75.72559	1.2
77.50861	1.3
80.96503	3.2
85.02956	6.1
87.00869	3.0
89.02444	35.9
92.85203	1.6
93.03458	2.5
95.01389	2.0
96.96024	5.2
101.02445	18.1
103.40472	1.3
105.03511	1.5
109.02956	2.7
113.02436	10.3
114.02778	1.7
119.03505	13.7
123.04529	5.8
129.05577	8.5
130.42725	1.5
131.03560	2.1
133.02959	11.7
134.03758	3.4
135.04515	2.3
138.05684	1.9
143.03554	3.3
148.06302	1.7
149.04602	1.9
149.06079	4.6
150.36223	1.5
153.05583	9.6
159.93532	1.3
161.04584	5.9
164.07112	2.6
173.04521	4.4
177.01955	2.9
179.05653	8.4
183.04054	1.9
191.05641	5.5
215.05663	2.2
291.10867	11.1
308.08804	1.7
351.03293	1.6
351.07263	4.4
351.11633	4.4
351.16492	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	349.2745
Annotation	Plakorsin B
Peak:m/z	Relative Intensity
54.21212	0.6
64.59881	0.6
71.26566	1.4
73.06911	0.6
77.95390	0.6
80.34243	0.6
81.03413	1.1
81.54424	0.7
96.96023	5.1
113.24978	0.6
124.90385	0.6
137.58037	0.6
142.03442	0.7
156.47647	0.6
161.83588	0.7
279.27020	0.6
305.28476	100.0
306.28839	13.8
307.26425	21.4
308.26776	2.6
317.68942	0.7
329.55182	0.7
349.24097	3.1
349.27499	56.4
350.23923	1.0
350.27795	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	349.311
Annotation	20:2(5Z,9Z)(11Me,15Me,19Me)
Peak:m/z	Relative Intensity
51.11918	0.5
53.21062	0.5
54.29668	0.5
70.74124	1.2
81.03455	93.1
82.03805	2.6
83.05024	42.9
84.05333	0.6
96.96016	3.9
101.65936	0.5
106.80228	0.6
129.71400	0.6
216.74449	0.7
267.26834	5.1
275.46368	0.5
305.28589	0.9
349.24072	4.0
349.31082	100.0
350.24826	0.9
350.31442	17.9
354.26135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	54.7
60.01677	15.8
61.98793	25.2
62.82062	15.0
64.44837	16.6
73.02946	20.9
80.96507	15.5
93.03412	18.5
94.65025	19.2
96.95989	23.0
99.82857	21.7
102.39682	15.1
187.13388	19.2
191.05588	28.0
212.15694	18.4
350.19186	100.0
351.14951	21.8
351.22122	84.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0179
Annotation	5,7,4'-Trihydroxyflavanone 7-sulfate
Peak:m/z	Relative Intensity
51.35124	0.3
55.52198	0.4
59.01368	0.7
61.11202	0.4
63.02397	3.7
65.00322	5.8
69.45738	2.6
71.01388	0.5
73.70438	0.4
83.01394	4.3
92.76709	0.4
93.03461	8.2
96.96040	0.7
107.01389	12.8
108.01705	0.6
119.05025	33.6
119.84576	0.3
120.05373	1.8
121.02990	0.6
133.02962	2.8
135.04495	2.4
137.09645	0.4
145.02934	0.7
151.00365	41.8
152.00743	2.3
161.06081	0.6
165.01889	1.8
169.01408	0.9
173.04543	0.7
177.01910	7.7
178.02229	0.6
179.03490	0.6
191.03694	0.5
191.05608	1.5
215.05699	0.5
227.07054	0.5
261.35437	0.4
271.06104	100.0
272.06418	10.7
275.06891	0.3
284.08038	0.4
309.85760	0.4
318.52921	0.4
321.20682	1.4
323.15085	0.4
351.01764	12.7
351.06491	0.6
351.17999	2.1
351.21851	3.9
352.02188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.6
69.34463	1.6
69.34870	0.7
98.19789	0.3
105.90715	0.2
151.78142	0.2
157.77457	0.3
166.16048	0.3
197.14737	0.3
222.15169	0.3
272.43665	0.2
277.02280	0.3
303.19574	0.4
305.21225	21.1
306.21625	3.4
321.20691	4.2
322.21136	0.4
349.20184	100.0
350.20486	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	349.2019
Annotation	PGK2
Peak:m/z	Relative Intensity
59.01372	1.2
60.10176	0.3
68.76501	0.3
69.67068	1.8
70.28243	0.4
71.01378	0.6
71.70852	0.3
97.06585	69.2
98.06926	2.6
135.53886	0.3
161.09729	0.4
163.11310	0.9
165.12840	2.4
175.11156	0.6
177.12837	8.2
195.13881	1.2
209.11887	0.3
221.11882	0.4
233.11833	0.3
291.99188	0.3
293.44772	0.4
319.19196	0.7
331.19135	6.9
332.19504	0.8
349.20175	100.0
350.20490	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	349.2019
Annotation	Enmelol
Peak:m/z	Relative Intensity
50.25911	0.5
59.01374	1.6
65.97852	0.5
71.53366	0.7
83.05008	1.2
87.04515	0.9
97.18022	0.5
99.00901	0.7
99.04522	4.4
100.04865	0.9
101.05029	0.7
101.06079	4.1
136.84846	0.5
187.02458	1.2
207.67279	0.5
257.19254	0.7
260.19171	0.5
315.39767	0.5
319.19141	41.7
320.19482	4.5
349.20200	100.0
350.20499	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	349.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92838	0.6
52.54504	0.6
59.01368	1.8
64.67607	0.6
67.60261	0.6
70.93160	0.6
70.99631	1.1
71.01366	1.1
81.41849	0.6
93.77641	0.6
179.93512	0.6
204.65686	0.6
301.21695	0.9
303.19641	47.8
304.19974	5.5
305.21088	0.9
319.19183	0.6
331.19116	1.2
349.20169	100.0
350.20538	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	349.1868
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
55.01874	2.4
55.74522	1.2
57.03423	1.7
58.00584	3.3
59.01377	100.0
60.01680	1.8
64.25069	0.9
67.62108	0.9
71.01379	57.6
71.52404	1.6
72.99302	4.2
73.02932	3.9
83.01372	4.9
85.02944	14.1
87.00855	3.9
89.02438	47.5
90.02765	1.6
95.01374	5.3
96.95999	1.4
98.22058	1.0
99.00898	1.9
101.02435	38.3
113.02447	20.1
119.03496	24.3
131.03491	2.3
141.09242	1.6
141.12831	1.6
143.03474	2.2
161.04497	3.0
169.12326	19.9
174.51660	1.1
179.05479	2.5
187.13388	5.8
273.52206	1.0
349.18631	96.5
350.18884	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	349.1869
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01860	0.9
57.03440	0.5
58.00588	1.9
59.01379	36.8
70.24818	2.3
71.01382	18.9
72.99298	5.2
73.02932	1.1
74.71590	0.5
75.00867	1.4
83.01374	1.5
84.02142	0.6
85.02948	4.9
87.00872	1.8
89.02442	14.6
95.01389	1.3
99.00872	0.6
99.27421	0.5
101.02442	13.2
113.02454	6.6
118.94647	0.5
119.03509	6.2
139.11310	0.8
141.12862	32.1
142.13153	1.9
143.03462	0.7
163.03976	0.6
169.12335	5.2
169.75085	0.6
171.13853	1.6
179.05620	0.6
183.13911	2.0
187.13390	62.4
188.13754	4.1
229.14406	1.4
349.18643	100.0
350.18961	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	349.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.7
59.01379	40.0
63.97601	0.5
64.90723	0.6
68.99812	0.8
69.03444	2.2
70.79878	0.8
70.80234	1.5
71.01376	1.6
73.02950	1.0
77.70531	0.7
79.95718	1.3
80.96520	1.5
85.02937	0.9
89.02448	1.2
96.96015	2.5
99.00876	2.4
101.02447	0.7
111.08141	3.0
113.02471	1.0
113.09726	3.0
125.09634	0.8
126.86295	0.6
127.00359	1.1
131.03477	1.1
137.09711	1.6
139.07616	1.3
155.10771	30.0
156.11005	1.4
157.08694	100.0
158.09013	5.2
159.02985	1.5
171.10234	1.5
173.04584	1.3
176.08430	2.4
177.62045	0.6
187.02425	4.3
187.09718	1.1
191.10802	1.2
199.09735	8.3
200.10240	0.8
217.10791	92.5
218.11134	5.5
307.17667	0.8
339.09390	0.8
349.15067	38.1
350.15598	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77598	0.3
54.86528	0.3
57.03431	0.5
57.43755	0.2
59.01360	0.6
64.02283	0.3
65.61361	0.3
71.01392	0.3
71.54004	0.4
93.03407	0.3
99.04504	0.4
101.06078	100.0
102.06414	3.6
111.99084	0.3
179.01778	0.3
180.98758	0.3
187.02420	0.6
193.08220	0.3
203.10722	0.6
211.83949	0.3
247.09738	1.2
305.20865	0.3
319.19235	1.2
331.19159	0.5
349.16043	0.5
349.20169	8.9
350.20538	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.1
59.01378	90.9
60.01728	1.6
69.03465	2.3
69.50250	4.1
69.50675	5.5
71.01375	10.5
73.02940	3.2
79.95760	1.9
80.96523	5.0
83.05027	4.9
85.02947	2.2
89.02455	8.6
96.96007	2.7
98.19898	2.8
99.00899	2.2
99.72494	1.4
101.02431	6.3
113.02424	4.3
119.03465	3.3
127.11299	4.1
130.59167	1.7
137.09715	12.0
149.04590	2.4
155.10780	25.3
157.01492	1.5
157.08746	2.8
161.04617	2.2
171.10246	1.8
173.04660	1.9
173.08211	1.5
173.11861	7.6
181.08678	7.5
186.31836	1.5
189.08824	1.6
199.09732	33.3
217.10809	100.0
218.11101	5.7
222.77672	1.7
276.56848	1.7
305.10184	2.2
349.11298	3.9
349.15137	27.5
350.15552	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.1
57.03443	4.0
58.00584	1.5
58.99602	1.3
59.01382	61.9
60.01705	1.5
66.42854	0.8
71.01384	52.4
72.99312	3.2
73.02556	1.7
73.02948	24.3
78.67331	0.8
79.95744	1.8
80.96520	3.1
83.01391	7.4
85.02946	21.2
87.00863	3.6
88.04062	0.9
89.02449	23.9
90.02776	0.9
95.01389	3.7
95.95220	1.0
96.96012	51.7
97.02969	1.1
99.00893	4.5
99.04498	1.1
101.02444	37.4
102.02737	1.3
102.98600	6.3
113.02449	17.7
113.06080	1.7
116.92844	1.2
119.03521	9.6
125.02435	1.1
129.05603	1.0
131.03522	1.0
143.03484	2.9
146.03757	7.1
150.97058	3.3
157.08687	2.1
159.02972	2.3
161.04556	9.7
161.05954	1.9
163.68132	1.1
164.04805	5.1
165.05598	1.0
168.98079	1.7
169.08696	3.5
172.11960	0.9
173.08167	2.1
174.01747	1.7
179.05682	2.0
179.07124	7.7
187.09755	7.2
195.06635	2.4
217.10768	3.9
289.13101	0.9
291.68512	0.8
296.25781	0.9
315.09723	1.2
331.13986	1.6
349.06131	11.8
349.15015	100.0
350.06396	1.3
350.15433	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	349.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.4
57.03436	3.3
58.00589	1.9
58.57999	0.9
58.99599	7.7
59.01379	87.7
60.13946	0.9
69.03463	2.1
71.01381	49.5
71.51925	1.4
72.99286	3.3
73.02579	1.3
73.02945	6.8
73.10986	1.0
74.99074	1.4
79.95741	3.6
80.96513	20.4
82.00596	2.7
82.96115	5.0
83.01393	3.4
83.05036	8.4
85.02950	12.7
85.06590	4.2
87.00890	3.1
87.04488	1.5
89.02443	38.2
90.02779	1.2
95.01384	3.1
96.96011	12.2
97.02962	1.7
98.00122	1.0
99.00883	4.1
99.08153	2.1
101.02439	28.9
102.98595	55.1
103.98932	1.4
108.02142	1.4
111.04515	4.6
111.08144	4.0
112.53551	1.0
113.02451	18.4
113.06061	2.6
115.92053	1.2
116.92838	2.8
119.03508	15.9
119.04951	1.1
120.99612	2.1
125.99590	4.2
127.07700	1.3
129.09216	2.4
131.03464	2.6
135.04539	5.4
136.05310	2.8
137.06094	2.4
137.09680	1.6
141.01970	5.7
143.03522	2.4
149.04533	2.2
151.03966	1.5
151.07639	1.9
152.98618	9.2
155.07144	19.2
155.10779	4.1
157.01382	1.3
157.08725	9.9
158.02202	4.9
159.02992	1.4
161.04567	10.3
163.00684	2.6
164.07230	1.0
173.04593	13.0
173.08185	100.0
174.08492	5.2
175.04016	3.2
179.05608	3.6
187.13416	5.1
195.06618	21.9
196.06966	1.0
199.09712	2.4
217.10825	20.1
217.96342	1.0
275.09692	1.1
284.51627	0.9
305.12033	2.0
349.05969	14.0
349.09665	2.9
349.14789	21.5
349.18793	7.0
350.06110	1.1
350.15192	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	349.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.3
56.39849	0.9
57.03437	4.2
58.00583	1.9
58.99610	1.4
59.01379	76.5
69.39988	8.1
71.01379	60.1
71.05013	2.5
72.99298	3.4
73.02554	1.9
73.02943	24.8
75.00864	1.4
79.95730	4.4
80.96513	6.7
82.96072	1.5
83.01400	6.4
83.05011	1.4
85.02460	1.4
85.02953	19.6
87.00874	3.7
88.04032	4.3
89.02441	25.4
90.02792	0.9
95.01383	4.3
96.96011	54.9
99.00867	4.5
99.04516	1.8
101.02443	39.7
102.02815	1.1
102.98600	9.8
113.02444	20.9
115.92070	1.3
119.03522	8.5
120.99587	1.5
129.01894	1.4
129.05566	1.9
131.03470	2.0
135.04536	1.2
143.03482	2.3
146.03748	8.5
146.08218	13.4
148.04047	1.1
149.04573	1.1
150.97018	3.2
151.03888	1.1
153.05606	1.3
157.08705	2.0
159.02945	2.8
161.04539	9.5
161.06038	2.7
164.04781	6.5
165.09190	1.1
168.98064	2.6
169.08691	3.2
173.08163	2.6
174.01700	2.3
179.05658	2.2
179.07123	7.0
187.09769	8.4
195.06601	2.6
217.10777	3.8
218.10352	3.5
225.74280	1.0
252.16745	0.9
269.13873	4.3
278.12573	1.5
349.06186	11.8
349.10062	5.7
349.15012	100.0
350.06201	1.6
350.14877	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	349.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.3
57.03436	1.1
58.99601	16.4
59.01379	20.0
70.94636	1.8
71.01387	6.8
73.02940	1.9
74.99091	2.2
79.95715	1.9
80.96519	34.5
82.96100	4.3
83.01357	1.1
83.05022	1.1
85.02953	1.8
86.53708	0.8
89.02435	5.8
96.96001	5.3
97.58119	0.9
99.00903	1.5
101.02445	4.3
102.98595	100.0
103.98923	1.9
108.88413	0.9
113.02449	2.4
113.50846	0.9
115.92110	1.8
116.92873	3.1
119.03460	1.2
120.99635	3.4
123.60365	0.9
125.99545	2.3
127.29806	0.8
129.09210	1.4
141.01938	5.5
141.09190	2.4
149.04549	1.2
155.10783	2.8
157.01405	2.9
157.08670	3.4
158.02267	4.5
161.04616	1.2
163.00687	5.2
173.04567	8.2
173.08084	1.0
175.03979	1.2
187.13358	1.0
199.09761	1.9
200.10098	0.8
210.74843	1.0
217.10828	11.1
242.67397	1.1
337.10590	0.9
349.05670	1.7
349.09317	2.1
349.13971	4.7
349.19135	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76268	0.6
55.01868	1.6
57.03452	1.1
58.99602	13.5
59.01379	11.8
59.99940	0.8
69.57129	3.7
69.57549	1.3
71.01374	5.0
73.02938	1.2
74.99091	2.0
79.95733	2.1
80.96515	36.5
82.00619	0.8
82.96102	7.6
82.96941	1.0
83.01402	1.0
83.05025	0.8
85.02934	1.9
86.12357	0.7
89.02442	4.7
96.96013	5.8
98.19918	1.5
99.00903	0.8
101.02422	4.0
102.98596	100.0
103.98956	1.5
113.02428	1.9
115.92072	1.0
116.92852	1.9
119.03497	1.6
120.99645	4.0
124.90076	0.7
125.99591	2.3
129.09245	1.2
141.01945	3.8
141.09235	1.3
155.10806	1.2
157.01433	1.4
157.08781	1.3
158.02208	2.8
160.01678	1.0
161.04501	1.5
163.00711	5.7
173.04541	9.1
174.03477	0.7
175.04073	1.7
217.10796	4.6
226.86653	0.7
349.05859	1.1
349.09528	2.2
349.13455	5.6
349.19119	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55994	0.3
55.04255	0.4
55.66919	0.4
56.64326	0.4
56.68786	0.3
59.01380	3.6
59.74553	0.3
71.01273	0.7
83.05035	0.7
83.37822	0.3
99.04523	1.0
119.95794	0.3
136.01622	1.0
157.16568	0.4
198.45055	0.4
200.61185	0.3
218.80580	0.3
243.17238	0.4
245.19197	0.5
255.17418	0.4
267.08459	0.4
273.18558	0.5
273.62988	0.4
285.18695	0.5
291.18726	0.6
303.19641	28.8
303.45590	0.4
304.19977	3.1
317.04535	1.1
319.21835	0.5
329.17450	0.6
332.07056	1.7
347.18564	100.0
348.18906	12.4
348.22971	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1863
Annotation	Neocaesalpin H
Peak:m/z	Relative Intensity
53.70456	0.5
64.35531	0.5
66.99638	0.5
69.32774	2.0
69.33200	2.5
85.02951	0.6
99.04522	2.7
104.97195	0.6
120.02528	0.6
125.78107	0.6
126.75694	0.6
166.52104	0.5
169.10138	0.5
183.79492	0.5
259.04355	1.2
275.16513	0.6
285.18549	9.3
286.18951	1.4
301.18051	1.4
303.19638	67.8
304.19986	9.8
319.18967	5.1
329.17535	6.4
330.18069	0.9
347.18591	100.0
348.18945	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	347.2226
Annotation	Protomycinolide IV
Peak:m/z	Relative Intensity
59.01363	0.4
70.03118	1.8
71.61368	0.3
79.08114	0.4
79.65259	0.4
99.04542	0.6
100.77865	0.4
112.85989	0.4
132.83742	0.4
216.85112	0.4
347.22247	100.0
348.22583	14.2
356.95105	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.986
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98529	0.7
67.96195	0.5
70.98550	0.5
84.45531	0.5
105.17537	0.5
162.98505	1.5
203.99997	0.6
205.00189	3.8
205.99754	4.5
206.61473	0.5
206.97449	58.7
207.97517	5.0
277.86566	0.6
289.99506	0.5
309.33777	0.5
317.84464	0.6
348.81662	0.8
349.31738	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1708
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01876	9.1
57.03432	4.9
58.00584	1.4
59.01379	40.9
60.00076	1.3
67.31467	1.1
69.40363	9.9
69.92361	1.3
71.01381	43.9
73.02943	22.7
76.04057	1.4
76.48925	1.1
79.95736	1.4
80.96542	7.3
81.48693	1.2
83.01384	10.8
85.02949	29.1
86.00093	3.1
87.00886	2.2
87.04494	3.0
87.45527	1.1
89.02446	3.2
93.24451	1.4
95.01393	3.1
96.96031	2.3
97.02941	1.6
99.00883	8.4
101.02440	49.5
113.02451	21.0
131.03522	1.3
136.38104	1.4
143.03503	1.3
155.10811	1.5
159.02948	3.5
161.04573	10.0
167.10687	1.9
168.52550	1.2
169.12337	1.4
179.98804	1.4
185.11816	2.1
191.05632	1.4
195.01190	3.0
197.11826	1.5
210.03548	2.3
215.12833	8.9
268.06549	3.0
301.80573	1.4
303.18054	5.9
304.18652	1.9
347.12057	3.5
347.17075	100.0
348.02075	1.5
348.17413	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	347.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32857	0.8
57.03462	0.9
59.01366	2.4
60.66489	0.9
64.42159	0.8
65.33866	0.9
68.17989	0.8
69.46745	5.3
73.84176	0.8
76.68632	0.8
83.05039	1.2
85.02950	100.0
86.03297	2.5
96.96027	1.6
97.06617	1.3
98.69340	1.0
99.04517	5.2
136.01642	1.1
273.18332	1.1
285.18570	3.0
287.16443	1.1
293.07098	1.1
301.18076	1.2
303.19446	2.5
329.17508	1.3
347.14621	2.1
347.18567	19.0
347.22046	4.9
348.18951	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	347.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
65.35843	0.3
69.73746	1.8
69.92511	0.3
79.95747	1.0
80.17209	0.2
80.96543	0.3
96.96008	3.6
98.20696	0.3
99.04519	100.0
100.04843	2.4
108.36376	0.3
109.81551	0.3
111.32570	0.3
118.55606	0.3
148.99139	0.6
171.23865	0.3
203.10835	0.4
247.09732	0.7
259.13559	0.6
347.11627	4.3
347.14941	0.3
347.18701	1.0
348.12128	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35088	0.6
57.03445	5.2
59.01377	6.6
69.03447	2.8
69.67146	3.2
71.01385	4.2
71.05032	1.1
71.31052	0.7
71.89372	0.6
72.02158	1.9
73.02950	7.2
80.96513	2.0
83.05016	1.3
85.02931	4.4
87.04515	55.8
88.04856	1.2
89.02441	1.6
97.06596	1.1
101.02424	1.8
101.06084	1.3
111.08151	1.4
113.76349	0.6
118.03047	0.6
120.08189	1.3
125.09731	1.8
127.07659	14.9
127.87360	0.7
131.03510	2.3
135.11768	1.5
137.09732	1.2
149.04587	0.7
153.12912	0.7
155.10785	12.3
165.04274	1.0
169.12344	11.3
170.12656	0.8
171.13928	6.0
182.09756	1.3
185.11768	0.8
197.11926	1.1
198.12718	1.0
215.12874	100.0
216.13174	6.3
229.09737	0.8
242.11824	3.6
267.11453	1.6
315.76019	0.7
329.11182	0.9
347.12158	6.7
347.17126	19.8
348.17334	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	347.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11224	0.6
55.01868	1.1
56.18813	0.5
59.01375	9.5
69.03448	1.1
69.66521	3.3
71.01379	4.8
71.05029	1.5
73.02942	2.0
80.96515	6.3
82.96089	3.5
82.96871	0.7
83.05017	1.2
85.02940	1.8
89.02442	3.9
91.43765	0.6
91.49168	0.6
95.05019	0.8
96.96049	1.1
97.02952	1.1
97.06580	5.8
98.20541	1.3
99.00874	29.2
100.01170	1.0
101.02448	4.4
101.24524	0.6
110.03725	1.2
113.02429	2.2
113.22250	0.6
117.07089	1.9
119.03466	1.8
123.04533	1.7
125.09688	1.2
127.11290	2.0
131.03436	1.1
135.08139	5.9
142.02687	0.6
143.03465	0.7
149.04549	2.2
153.09204	25.2
154.09525	1.4
155.07114	0.8
161.04515	1.6
162.06955	0.7
171.10239	8.5
179.05779	0.7
179.07051	3.9
179.95941	0.7
185.11761	1.1
197.08186	24.3
198.08519	1.5
215.09222	100.0
215.12779	5.7
216.09607	6.5
224.31929	0.6
329.81943	0.6
347.13385	15.1
347.17166	4.1
348.13556	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	347.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.8
71.52420	0.6
74.53813	0.4
79.95670	0.4
96.96062	0.6
99.04520	100.0
100.04842	3.0
124.58883	0.5
133.02968	1.1
133.06502	0.4
135.08228	0.5
203.10829	0.7
207.28491	0.5
216.03738	0.6
217.04024	0.8
247.09918	1.0
316.01697	0.5
317.01993	3.3
331.04156	0.4
332.04434	3.5
347.06909	2.9
347.15082	0.9
347.18884	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	347.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77000	0.3
52.00247	0.3
57.33033	0.4
59.53369	0.3
65.35416	0.3
70.21783	1.1
70.22134	0.6
98.20009	0.5
99.04517	100.0
100.04850	2.6
115.05839	0.4
124.39187	0.4
203.10786	0.8
247.09631	0.9
256.95044	0.3
347.15015	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.15
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92213	0.3
62.83486	0.3
69.35928	0.6
69.36337	2.1
69.41222	0.4
71.75970	0.3
83.82477	0.4
89.30833	0.3
92.27573	0.3
96.28622	0.3
98.19945	0.7
99.04520	100.0
100.04856	3.3
145.76175	0.4
169.23592	0.4
185.09642	0.4
203.10918	0.7
247.09750	1.0
247.62717	0.3
255.30972	0.4
265.10715	0.4
347.15094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0558
Annotation	Adenosine 2'-phosphate
Peak:m/z	Relative Intensity
59.01379	4.9
61.98830	41.7
62.96411	1.4
65.79388	0.4
70.38391	1.6
71.01367	0.9
73.52332	0.4
78.95905	58.4
87.00887	0.5
89.02444	0.6
92.02575	0.5
96.96965	13.8
98.19953	0.5
102.41268	0.5
103.92059	0.5
107.03644	2.5
115.00388	0.4
120.96977	6.6
126.98869	0.8
134.03903	1.3
134.04732	36.4
135.05180	0.7
144.95438	0.6
146.97050	0.5
148.06274	4.2
150.98096	0.5
162.97951	0.5
178.02577	0.5
182.97891	0.9
193.05045	0.7
201.02568	0.4
202.02718	1.6
203.02211	2.0
204.00006	18.3
204.01942	0.9
205.00197	2.0
211.00131	100.0
212.00456	3.2
231.03448	0.5
260.93512	0.7
287.02573	0.5
310.11554	1.0
346.05490	8.6
346.09473	0.6
347.05637	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1167
Annotation	Compound VII
Peak:m/z	Relative Intensity
57.03433	0.9
58.00605	0.5
58.69791	0.5
59.01380	17.8
69.03463	0.6
71.01381	5.6
71.05005	0.8
71.52790	0.5
71.53185	0.6
72.99290	0.5
73.02940	1.7
79.95731	7.3
80.96517	28.5
82.96105	0.9
85.02953	2.6
89.02424	1.7
96.95983	1.1
97.06596	1.0
97.52943	0.6
99.00896	3.0
101.02436	2.9
104.82925	0.5
111.08150	2.1
111.83044	0.6
113.02506	2.4
116.23405	0.6
117.07092	0.6
119.03472	0.7
122.03744	1.3
135.08147	0.9
137.09708	3.2
141.24997	0.4
143.03494	0.5
149.04539	4.2
149.09676	0.9
153.09236	4.9
155.07158	3.2
161.04509	1.7
167.10756	4.0
171.10245	4.7
185.11824	43.9
186.12141	1.9
197.08255	3.6
200.40460	0.5
201.99312	0.5
215.09235	23.1
215.12857	1.5
216.00934	0.6
216.09599	1.9
229.01747	20.9
230.02443	5.7
243.03365	0.9
245.01230	1.0
262.01532	5.7
329.10718	2.7
344.54532	0.5
347.11707	100.0
347.17038	16.0
348.12042	12.4
348.17346	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	347.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93460	0.3
55.65205	0.3
57.10711	0.3
59.01377	2.8
71.01381	0.3
73.02940	0.5
79.95727	1.9
80.96513	100.0
81.96455	0.4
82.96100	1.5
85.02979	0.4
89.02440	0.5
96.95999	0.8
97.06578	0.5
98.19913	1.2
99.00871	1.2
111.08096	0.3
122.03740	1.7
135.08080	0.2
149.04510	0.3
153.09247	1.9
155.07155	0.6
171.10289	1.3
197.08221	1.7
215.09227	7.7
216.09615	0.3
265.14374	0.3
267.16028	0.3
280.02692	0.3
345.43207	0.3
346.82336	0.3
347.11603	14.3
348.11826	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	345.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03391	2.6
59.01316	30.9
59.01646	2.7
60.01646	0.6
69.26517	4.4
71.04957	1.6
79.65381	0.5
80.80217	0.4
85.06605	2.5
97.06537	0.9
98.20684	1.1
99.08102	0.8
115.06947	0.5
115.07639	5.2
123.21221	0.4
129.09171	1.2
146.01978	0.5
153.12730	1.5
167.14352	0.8
169.12347	2.7
183.13831	1.6
185.15396	0.5
195.17532	8.6
196.17796	0.6
211.17010	0.5
237.18449	1.3
239.20169	3.7
241.21640	1.5
250.00609	0.5
255.19597	2.3
257.21201	6.3
258.21579	0.6
285.20715	20.4
286.21078	1.8
303.21756	100.0
304.22092	10.2
345.06155	0.5
345.22833	21.0
346.23141	2.5
355.43936	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99955	0.4
54.86024	0.5
57.03450	3.0
59.01379	31.6
69.26550	3.5
69.26959	0.9
71.05016	1.7
80.06389	0.5
85.06588	2.7
94.35107	0.4
97.06592	0.6
115.07642	4.1
125.20509	0.5
127.34360	0.6
129.09203	1.6
141.12790	0.5
153.12856	2.2
167.14464	1.0
169.12314	2.5
183.13876	1.1
187.04198	0.5
195.17534	9.5
237.18620	1.2
239.20102	3.4
241.21672	1.6
255.19598	2.1
257.21240	7.1
285.20700	21.5
286.21075	1.9
303.21762	100.0
304.22107	10.7
308.11984	0.6
315.01324	0.6
330.03824	0.7
345.22812	21.2
346.10797	0.5
346.23096	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	345.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.9
59.01380	34.4
66.69129	0.6
69.23711	4.5
69.24131	1.8
71.05010	2.3
85.06580	3.0
99.08176	0.8
113.09710	1.0
117.03478	1.5
135.08156	1.6
137.09711	7.7
143.10785	2.4
153.12782	0.7
155.10789	0.7
156.60085	0.8
157.12465	1.0
167.14388	4.2
169.12317	1.7
177.99062	0.9
181.15947	4.2
183.13852	1.9
184.13985	0.7
185.15471	0.8
186.03305	1.4
195.17531	2.2
196.73811	0.7
213.11261	4.4
237.18538	1.5
239.20096	4.3
241.21689	3.1
250.45158	0.7
255.19666	2.0
257.21204	5.2
270.01682	1.4
276.99039	0.6
285.20706	20.6
286.21017	1.5
298.01257	3.5
302.19824	0.7
303.21756	100.0
304.22116	10.1
313.03641	4.1
313.06650	0.9
345.22864	18.5
346.23172	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	346.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.3
60.01709	0.3
61.98829	100.0
69.76033	0.7
69.76451	0.7
201.02573	0.7
202.02716	1.7
203.02205	2.4
203.99982	42.6
205.00116	4.3
242.69159	0.2
247.31082	0.3
346.00986	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36906	0.9
69.42432	8.6
71.01402	0.9
83.05020	2.4
90.61813	1.1
97.06583	7.2
135.04517	1.2
136.05336	1.4
136.08849	1.1
145.02902	1.2
148.05246	1.7
149.06058	4.6
161.06081	3.3
162.06865	11.6
163.07591	1.9
171.04478	1.2
171.08186	1.1
173.06056	2.5
174.06822	3.2
175.07622	10.8
176.08389	3.1
177.09264	1.2
187.07652	2.9
188.08449	2.7
189.05542	2.9
189.09190	12.2
190.09953	12.1
191.10681	4.7
199.07646	1.4
200.08429	1.3
201.09210	3.8
202.09940	4.3
203.10762	10.4
204.11328	3.7
213.09250	1.9
214.09947	1.6
215.10762	3.2
216.11540	18.1
217.12189	5.7
218.09476	10.2
219.09885	2.1
219.13870	3.4
227.10785	2.2
228.11421	1.5
228.94592	1.1
229.12308	1.1
230.13081	2.5
231.13878	19.2
232.14285	1.6
243.13855	9.2
244.14560	4.2
248.14140	4.1
259.17007	15.5
260.17426	1.2
261.15042	4.8
268.11148	1.2
269.15378	1.5
270.29425	1.1
271.13373	2.1
272.14105	3.6
273.14832	2.5
274.15698	7.8
286.15585	1.6
287.16492	9.6
288.17035	1.8
289.18091	24.7
290.18393	2.6
299.20096	1.6
301.14789	2.0
301.18066	9.9
302.18637	7.3
315.00818	1.2
317.21158	14.0
318.21628	2.4
327.19519	2.3
330.18301	4.6
345.20685	100.0
346.21011	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	345.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.4
58.29088	1.0
59.01377	43.5
60.63351	1.0
71.05021	6.1
71.52825	1.9
73.11897	0.9
75.00874	1.4
81.11490	0.9
85.12185	0.9
99.04498	1.4
99.08147	5.4
103.00539	1.0
111.08157	1.0
123.04593	1.4
129.09238	5.5
130.98938	1.0
135.02965	5.6
139.11308	1.8
155.10719	3.0
161.57468	1.2
165.12810	4.3
181.15961	9.0
183.13896	12.7
227.12860	9.3
239.20151	3.1
241.21654	2.3
255.19556	1.6
257.21176	5.8
285.20679	17.7
286.21030	1.8
301.14490	1.3
303.21744	100.0
304.22147	10.9
311.65201	1.1
315.01242	1.4
345.09619	2.1
345.22833	26.0
346.10791	2.0
346.23053	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	345.1554
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
51.23217	2.0
55.01866	4.2
55.45317	2.1
57.03445	4.4
58.00591	4.0
59.01379	100.0
69.34109	4.5
69.34515	14.2
71.01379	54.9
72.99317	4.3
73.02946	7.4
79.95741	4.3
80.96515	9.7
83.01393	4.7
85.02959	17.1
87.00881	2.4
87.04565	2.1
89.02441	50.7
95.01392	4.5
99.00919	2.4
101.02437	39.5
106.06639	3.3
113.02454	20.0
119.03500	21.9
121.10248	16.4
124.07692	4.0
132.04555	19.2
133.05357	10.2
134.06161	3.9
149.04501	3.6
151.11278	3.6
161.04610	2.8
165.04306	8.4
177.04321	3.3
179.05656	2.3
183.10205	4.7
213.06708	2.6
213.11284	9.7
214.12181	2.1
240.10529	2.3
243.05711	2.0
243.12419	8.9
257.12946	14.2
283.10953	2.5
285.13425	3.3
301.11981	9.7
301.14905	2.0
333.52203	1.9
345.10529	39.6
345.15494	49.8
346.11194	2.9
346.15768	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	345.2069
Annotation	Viridinol
Peak:m/z	Relative Intensity
69.35753	6.8
74.07742	0.9
80.25175	0.9
82.09371	0.9
94.14191	0.9
97.06594	3.6
97.34032	0.8
104.73896	0.9
135.04524	1.2
136.05235	1.8
148.05331	1.2
149.06062	1.9
150.06900	0.9
160.90851	0.9
161.06079	2.2
162.06837	5.8
163.07594	2.4
164.08391	1.3
165.09235	1.5
173.06084	1.8
174.06841	3.0
174.31984	0.9
175.07622	5.2
176.08417	3.8
177.09247	1.0
187.07594	1.4
188.08409	1.0
189.05539	1.6
189.09204	8.8
190.09982	6.6
191.10713	3.9
193.12352	1.3
200.08366	1.4
201.09146	1.1
202.09987	2.9
203.10771	5.8
204.11551	2.1
215.10748	1.1
216.11604	1.6
217.12325	5.7
218.09489	9.9
218.12770	1.3
218.25259	0.9
219.13890	2.3
229.12204	1.0
230.13062	3.3
231.13815	2.6
248.14223	5.2
248.89859	1.0
255.14087	0.9
256.14658	1.6
259.16937	3.3
261.14804	2.1
271.13266	1.6
271.17010	3.2
273.15060	1.1
274.15714	7.2
284.17850	2.5
285.14752	1.4
287.16544	1.6
287.20135	2.2
289.18088	19.8
290.18396	1.5
299.17010	1.2
299.20193	4.0
301.14679	1.7
301.18048	16.0
302.18710	9.8
303.19220	1.0
312.17062	1.1
317.21182	22.1
318.21631	2.1
327.19586	3.5
330.18372	5.5
345.20688	100.0
346.21033	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	345.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85704	1.4
68.23366	1.3
69.98708	3.9
71.04267	1.5
83.05041	1.6
97.06598	9.0
98.20489	1.8
149.06027	6.2
159.04457	1.5
161.06068	4.8
162.06859	16.6
163.07706	1.5
164.08432	2.8
174.06799	5.9
175.07651	12.2
176.06689	1.2
176.08412	4.1
185.06049	2.3
187.07651	3.5
188.08424	2.7
189.05551	2.1
189.09192	7.6
190.09999	10.4
191.10724	5.0
201.09196	4.0
201.12956	1.4
202.09955	3.5
203.10757	14.9
204.11354	3.7
213.09230	1.9
215.10733	3.9
216.11562	15.6
217.12175	4.0
218.09497	9.5
219.13869	4.6
227.10637	2.7
228.11269	2.0
229.12408	2.1
230.13010	3.0
231.10374	1.7
231.13896	24.6
243.13942	9.6
244.14510	2.6
246.12735	2.0
248.14197	3.9
256.14755	1.2
259.17004	12.5
261.14926	3.7
271.13354	2.1
272.14166	4.0
273.14905	2.0
274.15884	7.4
286.15579	1.8
287.16605	8.9
288.16858	1.6
289.15125	2.1
289.18100	27.8
290.18433	2.2
301.18118	11.2
302.18695	7.8
303.19067	1.2
317.21182	11.3
327.19592	2.0
330.18488	6.5
345.20676	100.0
346.20987	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	345.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08690	1.1
53.34711	0.9
54.57167	0.9
59.01380	27.5
69.70806	5.5
71.01356	2.8
78.95895	1.1
79.95745	0.9
80.96520	11.9
85.02935	1.5
93.03447	8.5
96.95953	1.2
101.02438	2.3
113.02433	1.1
114.49441	1.1
118.00604	1.0
121.02954	28.9
123.04527	100.0
124.04836	3.6
135.04561	1.5
136.90233	1.1
137.06096	1.5
149.02409	7.9
153.38254	1.0
153.70667	1.2
164.04791	1.3
164.20506	1.1
181.05034	1.3
220.03725	1.4
257.10013	1.2
285.09848	1.7
309.84845	1.0
330.11115	1.5
345.10257	2.0
345.13980	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	345.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98830	2.6
63.87439	1.7
67.71399	1.8
71.01386	13.1
71.51328	2.1
71.51757	2.6
72.99317	2.4
73.02970	2.5
74.02489	3.4
78.95959	2.1
79.95747	6.8
80.96516	18.5
81.02199	2.4
83.01373	3.3
84.17001	1.8
85.02968	6.9
87.00879	2.0
87.05660	2.5
89.02452	5.5
92.05059	3.0
93.03461	3.9
96.96017	12.3
101.02450	7.2
103.05534	2.8
108.39468	1.7
109.01708	3.2
109.02888	2.2
110.02469	2.6
113.02465	4.6
113.03547	2.1
121.03003	2.9
121.06595	3.1
123.00860	3.0
123.04529	88.2
124.01669	17.2
124.04017	3.7
124.04839	3.7
130.08737	5.4
134.02467	3.3
134.38014	2.3
139.03992	4.2
143.11949	2.9
161.04510	10.9
164.03491	2.4
165.01884	2.6
165.05589	2.8
166.99884	3.1
168.00592	20.3
169.00934	2.8
181.05074	3.6
183.02986	58.1
183.05495	2.8
184.03256	3.4
196.06107	4.3
211.00166	2.3
214.07188	2.8
257.12939	2.2
267.09799	3.2
285.09729	3.1
290.96939	2.7
297.11133	3.2
301.15381	2.1
302.08676	3.3
345.08414	11.9
346.16077	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	345.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39624	1.0
59.01373	7.0
60.74192	1.0
62.23121	1.1
69.37389	8.4
71.01376	4.0
73.02969	2.2
74.02480	1.8
79.95737	7.0
80.96510	12.2
81.03457	1.4
83.05038	2.9
85.02950	1.6
89.02457	1.8
95.03800	2.1
96.04548	1.3
96.96021	2.0
98.19923	2.1
101.02451	3.3
104.05114	1.4
106.06616	6.4
113.02445	2.4
116.03545	1.5
119.03475	1.3
121.10231	1.1
122.06092	3.0
124.07642	8.9
125.09742	1.5
132.04564	37.5
133.05351	23.0
133.10191	9.6
134.06145	5.8
139.11305	7.6
141.98669	1.2
148.04111	2.3
151.11241	6.8
165.04297	20.6
173.68242	1.2
176.03676	1.6
177.04314	5.1
177.05693	1.3
178.05096	2.6
183.10280	11.5
186.09274	5.9
195.10281	1.5
201.99380	3.4
207.77550	1.4
209.03331	6.1
213.06844	3.1
213.11333	39.5
213.96040	1.3
214.12332	7.7
215.00334	2.3
215.11986	4.8
226.07544	1.4
229.09885	3.9
230.02664	1.2
232.75647	1.2
240.10258	2.0
241.09724	2.9
243.01497	1.3
257.12933	26.2
269.61783	1.2
283.10883	9.7
284.11252	1.2
301.11911	23.3
327.09869	2.2
345.10849	100.0
345.15567	4.9
346.11203	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	345.101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
57.97803	0.3
59.01382	2.2
59.79862	0.3
71.01378	0.6
73.02944	0.5
79.95735	30.3
80.96519	6.0
85.02952	0.6
87.00875	0.7
89.02470	0.7
93.47325	0.4
94.11101	0.5
95.95232	1.3
96.96010	52.9
97.06606	0.8
101.02451	0.8
109.96816	0.6
113.02460	0.8
122.03709	3.6
123.04549	0.8
134.03757	0.4
139.96646	0.4
141.95737	2.9
149.06100	1.7
150.06909	0.4
151.07634	1.2
176.08429	1.0
177.02205	2.5
179.00172	0.8
191.10753	3.8
192.11096	0.6
194.02594	0.9
195.03380	0.5
198.87589	0.5
213.11342	1.7
221.04860	1.5
229.12296	1.1
244.40562	0.5
265.14453	1.5
327.09128	0.4
345.10098	100.0
345.22876	1.5
346.10434	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	345.101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96483	0.4
57.03440	0.5
59.01376	5.6
69.29139	3.9
71.01373	3.9
71.05023	1.4
73.02942	5.9
73.69997	0.4
79.95735	8.0
80.96516	14.1
83.01423	0.5
84.02140	0.4
85.02963	1.3
87.00884	0.5
89.02445	3.0
96.89300	0.4
96.96012	0.4
98.54463	0.4
99.04501	0.7
101.02442	1.8
101.36818	0.4
113.02446	1.2
119.03505	1.5
122.03728	1.0
124.07630	0.5
132.04535	2.4
133.05319	1.3
134.03912	0.5
143.03429	0.6
143.41731	0.5
149.04552	0.6
151.11276	0.7
165.04303	1.5
169.12294	0.4
183.10242	1.3
191.10796	0.8
201.99466	1.1
213.11153	5.5
215.11934	0.6
216.01077	0.7
223.00949	0.5
229.01755	30.7
230.02498	8.2
234.60570	0.5
243.03285	2.3
257.12930	2.0
262.01501	9.0
263.01663	0.5
271.06509	0.5
283.10907	0.7
287.05945	17.5
288.06351	1.1
301.11929	1.0
315.09042	12.6
316.09433	0.8
324.12817	0.5
345.10138	100.0
346.10507	10.4
360.30725	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.3
59.01374	2.0
69.34520	1.9
71.01409	1.1
73.02908	0.3
79.95728	1.4
80.96515	100.0
81.96448	0.5
85.02953	0.4
85.69005	0.2
87.00860	0.7
89.02438	0.4
96.79066	0.3
96.95999	0.3
101.02421	0.7
102.60770	0.2
113.02413	0.7
115.04084	0.2
119.03509	0.3
123.46391	0.2
125.09608	0.2
133.10284	0.3
139.07628	0.3
140.07130	0.3
141.07552	0.3
165.09146	0.6
169.08650	0.3
183.10191	0.4
191.05632	0.2
213.07716	0.5
213.11285	0.9
227.08257	0.4
242.10431	0.2
257.12958	1.2
267.06421	0.2
297.11185	0.3
345.10092	10.9
345.15262	0.8
346.10574	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95735	0.2
54.71564	0.2
59.01368	0.4
66.66426	0.2
69.44197	0.9
69.44617	0.8
71.01356	0.2
77.69862	0.2
79.95756	0.7
80.96516	100.0
90.89788	0.2
96.96008	0.5
98.19849	0.3
108.53695	0.2
132.04559	0.4
149.04504	0.4
159.44781	0.2
190.46312	0.2
211.69408	0.2
213.07674	0.3
213.11220	0.5
221.95828	0.2
229.01752	0.7
257.12952	0.4
316.38208	0.2
344.16968	0.2
345.06873	0.5
345.10172	12.3
346.10406	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1093
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
51.39624	1.0
59.01373	7.0
60.74192	1.0
62.23121	1.1
69.37389	8.4
71.01376	4.0
73.02969	2.2
74.02480	1.8
79.95737	7.0
80.96510	12.2
81.03457	1.4
83.05038	2.9
85.02950	1.6
89.02457	1.8
95.03800	2.1
96.04548	1.3
96.96021	2.0
98.19923	2.1
101.02451	3.3
104.05114	1.4
106.06616	6.4
113.02445	2.4
116.03545	1.5
119.03475	1.3
121.10231	1.1
122.06092	3.0
124.07642	8.9
125.09742	1.5
132.04564	37.5
133.05351	23.0
133.10191	9.6
134.06145	5.8
139.11305	7.6
141.98669	1.2
148.04111	2.3
151.11241	6.8
165.04297	20.6
173.68242	1.2
176.03676	1.6
177.04314	5.1
177.05693	1.3
178.05096	2.6
183.10280	11.5
186.09274	5.9
195.10281	1.5
201.99380	3.4
207.77550	1.4
209.03331	6.1
213.06844	3.1
213.11333	39.5
213.96040	1.3
214.12332	7.7
215.00334	2.3
215.11986	4.8
226.07544	1.4
229.09885	3.9
230.02664	1.2
232.75647	1.2
240.10258	2.0
241.09724	2.9
243.01497	1.3
257.12933	26.2
269.61783	1.2
283.10883	9.7
284.11252	1.2
301.11911	23.3
327.09869	2.2
345.10849	100.0
345.15567	4.9
346.11203	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	345.0612
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
59.01352	1.0
61.35357	0.5
61.82125	0.5
67.01877	0.9
71.52327	0.7
78.01047	0.5
79.99007	0.7
95.01366	1.4
96.99312	0.6
97.60519	0.5
112.98804	0.8
119.66328	0.6
123.00880	3.9
124.98779	1.5
127.00240	0.8
133.02950	25.8
134.03334	1.2
150.99208	0.7
151.00369	10.2
151.97488	1.7
159.04507	0.9
166.99829	0.8
171.04498	1.0
175.03993	1.5
177.05479	1.3
177.99171	0.5
178.99852	17.3
180.00212	0.8
180.97806	2.9
186.03154	0.6
186.93526	0.6
187.03984	21.1
188.04327	1.4
194.99295	1.3
197.02425	0.7
199.03973	2.2
201.01938	6.2
203.03505	2.9
204.40498	0.5
212.04758	1.4
213.01912	2.0
213.11485	0.6
214.02591	0.9
215.03482	32.3
216.03818	2.5
226.02681	0.6
227.03453	1.5
231.03001	2.1
237.80798	0.5
241.01443	2.3
242.02162	2.1
243.02937	6.6
244.03299	0.8
247.41254	0.6
248.30865	0.5
255.02992	1.5
256.03784	3.2
259.02448	5.6
269.00830	1.0
271.02515	1.9
283.02304	1.0
284.03104	0.8
287.01923	12.1
288.02582	0.7
297.00323	3.1
301.03452	0.9
302.20480	1.3
303.20840	0.8
312.02771	6.9
313.03113	1.6
315.01443	77.5
316.01767	7.6
329.03030	4.2
330.03784	100.0
331.04123	10.6
345.06128	71.6
346.06467	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	345.101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33913	0.3
51.80996	0.3
51.83257	0.2
57.03465	0.4
59.01379	3.3
69.03460	0.4
71.01387	2.1
71.50639	0.3
72.99315	0.4
73.02946	0.7
79.95746	1.2
80.96517	100.0
81.96451	0.4
83.01360	0.3
85.02959	0.8
87.00875	0.8
89.02434	1.5
95.05006	0.3
96.95988	0.6
101.02424	1.3
106.12547	0.3
109.02949	0.5
113.02457	1.5
118.89816	0.3
118.98071	0.4
119.03468	0.3
120.05362	0.3
121.02967	0.3
122.06068	0.3
123.04494	1.0
125.06055	0.3
125.09715	0.3
127.79547	0.3
130.08798	0.3
132.04619	0.3
135.04469	0.3
137.02472	0.3
137.06113	0.4
149.02422	0.9
153.09251	0.3
155.13184	0.3
161.04533	0.5
161.08165	0.8
163.03914	0.3
165.04311	0.3
167.03438	0.4
169.08624	0.5
181.05042	1.0
182.05385	0.5
183.05522	1.1
191.05615	0.5
200.59105	0.3
209.96416	0.3
212.05611	0.4
213.07617	0.4
220.03729	0.6
235.06003	0.4
257.13016	0.8
265.07098	1.0
267.06619	0.3
345.02713	0.7
345.10056	10.2
345.15366	0.6
346.10324	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2852
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
54.04749	0.7
59.01378	100.0
59.74675	0.8
98.19839	1.4
112.96436	0.8
169.72478	0.8
198.03101	1.0
279.26907	1.6
283.26431	2.9
298.01117	1.8
313.03619	3.2
325.27469	1.7
328.05783	3.4
328.09332	0.9
343.08121	3.1
343.19327	3.3
343.28503	83.9
344.19577	1.1
344.28796	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71898	3.2
59.01373	45.6
61.98814	9.0
63.23292	3.3
69.44517	22.6
71.01376	15.5
72.00916	11.3
72.99286	3.5
73.02919	4.1
73.64777	3.0
74.02479	4.8
79.48366	3.3
79.95739	21.0
80.65484	3.0
80.96527	19.7
85.02974	3.8
87.00883	7.1
89.02446	25.0
93.03443	5.8
95.01409	3.5
96.96004	9.8
99.00849	3.7
101.02450	8.8
101.32639	3.2
109.02982	5.0
109.95313	2.9
113.02422	9.7
115.41631	3.4
117.35443	3.2
119.03487	6.8
119.13768	3.3
123.00895	8.9
123.04517	13.5
123.18687	3.8
124.01638	9.1
126.19901	3.3
133.01576	3.8
135.04520	6.4
136.04881	8.1
137.06125	3.9
139.04019	4.9
140.07208	5.1
147.04500	30.5
150.04274	3.8
161.04620	4.1
164.07162	100.0
165.05608	5.7
166.99867	9.2
179.03551	3.5
179.05484	3.9
180.03923	3.5
181.05037	11.4
182.05505	22.4
183.02882	3.9
229.01682	6.3
284.00992	4.0
284.78534	3.2
287.05957	5.5
297.11206	4.1
330.06357	3.3
344.07440	13.0
345.10025	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	343.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01715	1.5
60.33636	0.5
60.66300	0.5
62.36469	0.5
63.97376	0.5
69.53501	3.9
72.33340	0.5
74.42080	0.5
81.57812	0.6
81.90507	0.5
83.04981	0.6
93.29243	0.6
121.02995	1.7
137.69070	0.5
157.06528	0.7
186.03094	0.8
198.03152	0.9
219.50462	0.6
226.02617	0.8
226.18753	0.5
239.23735	0.5
241.04965	1.1
248.14052	0.6
265.25333	1.0
270.01556	1.0
279.26846	0.8
283.26334	3.6
298.01093	1.6
313.03564	5.1
314.03833	1.3
325.27435	1.9
328.05890	5.4
343.08118	4.6
343.19687	3.5
343.28494	81.6
344.08423	0.8
344.19736	0.6
344.28833	10.0
353.22919	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.3
59.01379	28.4
59.01650	1.5
69.03418	0.9
69.36169	5.2
71.01359	0.5
71.04980	2.2
75.00845	0.6
85.02914	0.9
85.06602	4.8
87.08108	1.0
97.06541	2.3
111.08112	0.7
111.21589	0.5
115.07651	22.0
123.08143	0.7
129.09163	1.9
139.11263	3.5
143.10768	0.7
177.16589	0.7
210.71912	0.6
255.19569	1.7
283.19147	18.3
284.19495	1.9
289.25342	0.6
301.20187	100.0
302.20551	9.7
330.70941	0.7
343.21252	21.8
344.09393	0.9
344.21677	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	343.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84724	0.7
52.20301	0.7
57.03428	1.5
59.01381	30.0
59.54206	0.6
68.44002	0.6
69.03448	0.9
69.59821	3.4
71.05032	4.5
83.05019	1.6
85.02943	1.4
85.06596	4.2
89.90516	0.6
98.20685	0.8
99.08147	1.6
101.06078	6.2
111.08125	1.6
113.09693	1.1
115.07658	6.5
125.09766	1.4
129.09239	4.3
143.10768	5.7
157.08742	0.7
179.14386	1.0
237.18527	1.6
255.19456	1.3
283.19141	16.0
284.19455	1.8
301.20187	100.0
302.20511	10.6
317.73462	0.8
328.05774	1.0
343.21255	16.3
344.09186	1.1
344.21677	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.6
59.01379	27.8
69.03452	1.2
69.63251	2.3
69.63662	1.9
71.05015	4.9
72.99285	1.1
83.05037	3.3
85.06585	1.0
99.08146	5.2
111.04520	3.3
111.08118	1.0
115.07652	1.8
125.09723	3.2
129.09210	14.5
163.14851	1.8
163.41098	0.7
171.13893	0.9
177.28847	0.7
204.78241	0.7
225.18602	0.9
237.18623	3.0
265.18033	2.0
283.19128	15.7
284.19522	1.7
301.20184	100.0
302.20502	11.7
313.03592	0.9
343.08170	2.3
343.21243	16.8
344.08917	1.2
344.21503	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	343.2487
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
56.12148	0.7
59.01381	37.5
67.04577	0.6
69.53740	4.4
71.78347	0.5
74.15150	0.6
81.51690	0.6
86.01191	0.5
86.77949	0.6
88.50125	0.5
90.02547	0.5
100.27301	0.6
121.02946	0.6
147.26746	0.6
180.89526	0.7
185.06009	0.8
211.20712	0.7
226.02657	0.8
239.23851	1.1
263.23770	7.2
264.24081	0.9
265.21790	1.1
281.24844	36.6
282.25214	4.3
283.22781	87.1
284.23141	8.6
298.01083	1.3
299.26578	0.6
307.22943	1.1
313.03406	3.0
325.23984	13.9
326.24274	2.1
328.05853	3.5
343.08258	2.1
343.24884	100.0
344.25223	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	343.2851
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
52.20000	0.6
54.81631	0.5
57.03437	0.5
59.01378	100.0
60.01720	1.6
62.43370	0.5
65.68475	0.5
70.11062	1.5
75.25499	0.6
85.02956	13.8
93.23139	0.5
98.19931	0.6
145.90234	0.5
170.60750	0.6
239.23792	4.3
240.23990	0.7
245.40141	0.5
301.21600	1.1
306.87418	0.5
313.03622	1.2
325.27591	0.7
326.28033	0.6
328.05606	1.0
343.28510	36.0
344.28845	5.4
369.45828	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1912
Annotation	Taxusabietane A
Peak:m/z	Relative Intensity
57.01074	0.7
59.01366	3.2
71.52765	1.0
76.49741	0.8
95.05035	1.8
95.29224	0.7
99.67927	0.9
103.43064	0.7
109.20589	0.7
121.02940	3.7
135.47919	0.8
144.89268	0.9
157.06514	1.2
170.03679	1.1
173.06065	10.1
174.06674	1.5
177.99121	1.0
185.06018	1.4
186.06747	1.0
187.07664	1.5
188.08383	2.3
190.09976	2.0
193.01404	1.2
198.03215	2.2
199.07617	1.1
201.05588	3.4
201.09207	2.4
213.05573	1.2
213.09145	4.4
214.02708	1.4
214.09943	3.5
215.07048	1.9
216.07890	1.5
226.02811	1.6
228.08037	1.1
229.08636	1.7
229.12305	1.7
230.09450	2.4
241.05035	3.1
241.08745	3.0
241.15996	4.4
242.09380	1.7
242.13020	2.2
243.10211	9.0
244.10883	1.8
245.15440	1.2
247.31291	0.8
254.98427	0.9
255.10294	1.1
256.10852	1.3
257.15439	1.7
269.11789	3.2
270.01678	1.4
270.12625	2.0
271.13345	5.4
272.14139	3.2
284.14212	2.4
285.14941	14.5
286.15347	1.7
298.01254	3.9
300.13898	1.5
300.17133	2.0
306.01428	0.8
313.03506	9.7
313.14484	1.2
315.19705	2.7
328.05835	10.4
329.06210	1.3
343.08228	9.0
343.19107	100.0
344.19434	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	343.1914
Annotation	Stizophyllin
Peak:m/z	Relative Intensity
57.03449	3.8
58.66524	1.1
59.09626	1.2
70.28630	3.0
70.63512	1.1
71.01389	2.6
77.66756	1.1
83.05028	13.3
97.06586	5.0
98.20602	1.5
106.92110	1.1
137.06075	2.0
147.04510	2.3
148.05312	3.4
149.06123	6.4
150.06870	5.3
159.04417	1.5
161.06102	2.8
161.09595	1.3
162.06866	18.7
163.07648	13.4
165.09248	1.4
170.03653	1.7
171.04526	1.2
173.06078	5.1
174.06818	3.8
175.07614	7.1
176.08437	20.7
177.08913	1.9
183.64421	1.0
185.06161	1.7
187.07646	2.3
188.08435	6.4
189.05583	2.5
189.09169	6.8
190.09958	9.0
191.10783	23.9
198.03284	1.6
200.08435	1.7
201.09167	3.0
201.12865	1.5
202.09982	4.3
203.07333	2.1
203.10770	21.7
204.11397	6.6
214.10051	2.5
217.12314	5.8
218.09476	12.5
218.12961	2.5
219.13924	19.1
220.14204	2.4
229.12320	13.2
231.10248	1.3
232.11002	3.5
241.05133	1.9
241.12323	6.4
242.12813	2.3
245.15431	4.0
246.12581	4.0
247.13416	15.0
257.15503	4.3
259.13309	3.2
285.14948	19.6
286.15207	2.1
287.16541	16.4
288.16602	1.8
299.16486	10.1
300.17163	4.9
313.03409	6.5
315.19644	7.8
328.05856	7.9
328.16699	7.0
329.06412	1.2
343.08142	5.0
343.19113	100.0
344.19431	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	343.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.6
57.03434	5.4
58.00574	4.1
59.01380	100.0
59.51273	2.1
69.92786	11.3
71.01378	64.8
72.99283	3.7
73.02923	9.6
74.02464	4.2
79.05549	2.6
79.95744	25.0
80.96513	16.8
83.01366	2.8
85.02947	15.6
87.00845	3.2
89.02448	57.2
90.23317	2.3
93.03465	2.8
95.01362	7.6
96.95985	8.5
97.02905	5.7
98.20639	2.3
101.02443	32.0
103.97977	2.2
111.04482	2.6
113.02448	32.4
119.02764	2.5
119.03496	22.8
119.04958	10.2
119.08674	48.2
121.02927	3.2
122.06005	2.6
123.08133	5.8
131.03497	4.6
131.08559	2.8
135.04518	3.1
137.09743	15.2
143.03465	5.2
149.04468	3.8
149.06021	9.5
161.04533	5.2
163.03964	16.8
163.07611	6.8
164.04674	7.9
166.05205	6.5
167.05394	2.1
175.07584	2.4
179.05591	2.8
179.07047	6.9
180.99634	3.7
181.07443	2.9
181.08830	5.0
184.57985	2.0
189.09172	3.5
207.06668	5.5
211.09770	23.4
225.05409	2.6
226.06847	2.3
227.07092	2.4
237.05464	2.3
240.04247	7.5
241.01637	9.0
241.04907	3.8
242.02452	5.3
254.05690	4.1
255.06479	4.1
269.04425	2.5
269.07959	3.6
270.08746	3.0
299.09555	3.0
310.08102	2.8
313.07037	4.4
313.10715	3.3
328.09360	9.3
343.08380	71.8
343.12070	18.2
344.08774	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	343.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21543	0.8
59.01382	100.0
60.01719	0.9
60.87460	0.9
61.61167	0.7
71.01384	12.5
71.52229	0.8
73.02945	2.6
76.01950	0.9
79.95736	3.9
80.96521	6.2
85.02953	3.9
89.02444	8.9
90.10664	0.9
95.01391	1.0
96.96002	3.6
98.95605	1.9
101.02444	5.3
108.00293	0.8
113.02440	4.5
119.03487	3.1
120.99712	1.5
121.02979	1.3
123.08170	1.2
130.29295	0.8
134.94029	1.0
137.09735	4.3
149.02431	3.7
149.09731	1.3
161.04539	1.3
164.04877	0.9
167.07112	1.1
167.10768	2.1
175.04019	1.0
179.05508	1.4
201.99402	1.1
211.09764	4.9
215.00172	2.2
217.12219	1.1
229.05008	1.0
313.10684	1.5
325.07761	1.0
343.08423	16.7
343.11569	1.4
343.14670	1.2
343.21198	2.4
344.08908	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	343.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.1
59.01376	19.9
61.14071	0.7
69.03461	2.4
70.88243	0.6
71.05011	1.9
73.02922	1.4
80.73269	0.7
83.05014	1.5
85.06592	6.0
94.86245	0.6
97.06612	1.8
111.17452	0.7
113.06081	0.9
115.07639	14.3
121.12891	0.6
129.09157	0.6
131.03468	1.1
135.00090	0.6
135.11819	3.4
139.11272	3.0
149.13368	0.7
156.04893	0.6
157.12395	0.9
167.14395	1.9
211.13383	100.0
212.13744	7.5
223.11356	0.7
228.96150	0.7
229.80238	0.7
235.57997	0.7
255.19536	0.7
270.01569	1.1
283.19113	9.9
284.19431	1.9
301.20181	68.1
302.20596	7.3
313.03555	2.6
343.08350	3.2
343.17465	3.8
343.21268	9.7
344.08646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05907	0.9
55.01855	0.8
58.65552	0.8
58.99603	17.3
59.01382	11.5
59.98360	0.8
61.98822	1.6
62.50322	1.0
63.17421	0.9
64.58160	0.9
67.95754	1.0
71.01405	2.3
71.51807	1.7
72.99291	0.8
74.99101	2.4
79.95765	2.0
80.96527	4.0
82.96399	0.8
85.02969	1.5
85.19884	0.8
86.20154	0.8
87.00880	1.7
89.00681	1.5
89.02424	1.5
96.85065	0.8
96.95997	1.1
98.55961	0.9
101.02402	1.2
102.98602	100.0
103.98935	1.4
108.02176	2.7
119.05061	3.5
120.99658	24.3
121.02966	2.1
123.04533	4.7
130.08743	3.4
134.03734	9.6
136.05299	1.6
138.05603	2.4
139.05931	1.7
140.07188	9.3
149.06085	34.7
150.06436	2.0
151.04013	1.4
152.07158	1.3
163.00722	8.7
163.04007	5.6
165.05602	2.1
177.05576	2.2
179.07098	1.0
180.04308	2.4
181.05074	1.0
181.08670	1.1
213.05907	40.1
214.06290	2.7
247.14639	0.8
301.07510	4.8
309.14603	3.5
326.17105	2.6
343.08081	5.9
343.14340	1.0
344.18015	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	343.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46062	0.4
53.00080	0.5
58.24318	0.5
59.01070	0.7
59.01376	13.6
69.59631	1.0
69.60040	2.2
71.01373	0.9
81.03457	0.9
93.03457	0.6
94.01316	0.4
95.05000	0.8
98.19933	1.0
105.82043	0.5
107.05082	0.8
109.02959	6.6
109.06594	4.3
119.05040	4.7
121.02957	6.5
122.03743	1.2
135.04546	5.2
137.05165	1.0
137.06084	28.9
137.45793	0.5
138.05542	1.0
138.06424	1.4
139.05922	1.7
179.03481	0.6
181.05063	100.0
182.05365	5.8
236.34996	0.4
236.46378	0.6
343.10361	8.0
344.10547	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1033
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
59.01379	18.2
60.94948	0.7
70.63215	1.2
71.01385	4.3
75.11542	0.7
75.79466	0.8
79.95732	0.9
80.89809	0.7
80.96506	1.2
83.33634	0.6
85.02971	1.2
89.02445	3.7
93.03440	0.7
95.05022	1.1
101.02435	1.8
107.05028	0.7
109.02958	7.3
109.06599	4.2
113.02434	1.4
119.03525	2.1
119.05022	40.5
120.05356	1.8
121.02959	7.8
122.03734	1.2
122.06169	0.9
123.04518	0.7
134.03773	1.8
135.04527	9.1
136.05363	3.4
137.05099	1.3
137.06075	27.5
138.05527	1.1
138.06500	1.1
139.05948	1.0
149.06065	1.6
150.06837	3.6
151.07634	2.1
162.06847	5.8
163.04007	45.8
163.07599	4.3
164.04337	2.0
165.05734	0.6
165.34515	0.6
168.06693	1.1
179.03564	1.8
180.03851	1.6
180.07932	13.9
181.05070	100.0
182.05382	6.0
182.08992	1.0
212.05586	1.6
223.09979	0.9
225.57182	0.7
296.78293	0.7
343.10413	9.3
343.14090	1.3
343.27908	0.7
344.10461	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26659	0.6
54.48497	0.6
59.01350	1.1
65.00299	1.5
65.98206	0.6
69.51841	3.4
79.37634	0.5
97.06599	0.9
98.20687	1.2
106.62163	0.6
107.49070	0.6
119.04922	0.8
121.02900	0.9
125.58167	0.5
126.53228	0.7
132.02162	3.2
133.02925	0.8
135.00832	1.4
136.96489	0.7
136.98775	2.1
147.04489	2.6
151.00325	1.0
157.66969	0.6
163.00345	2.8
164.98276	1.5
165.99065	1.5
170.03723	1.4
171.10294	0.7
173.06026	1.6
182.03661	1.5
185.05965	0.7
186.03223	1.4
186.06891	0.8
187.07611	0.9
190.09859	0.8
191.14281	0.6
198.03191	4.0
200.08386	1.1
201.09106	0.9
211.03989	1.5
214.02684	3.4
215.07088	1.2
216.07861	1.5
222.02383	0.7
226.02608	2.3
227.03293	1.0
229.08708	1.4
230.50372	0.7
233.46359	0.7
239.03676	0.9
241.04988	1.3
242.02234	4.6
243.02464	0.8
254.02094	1.5
255.02740	0.9
256.03751	1.7
257.00833	2.4
267.02869	2.7
269.00891	2.9
270.01675	30.1
271.01990	3.1
271.13321	0.9
277.91925	0.7
282.01675	2.2
283.02338	1.9
284.03134	4.9
285.04013	15.7
285.14789	0.9
286.04572	1.2
295.02368	1.4
298.01166	43.9
299.01501	4.9
299.05389	1.8
299.16507	3.4
300.06262	1.2
312.02676	3.6
313.03519	90.0
314.03888	9.2
314.15198	1.5
314.18942	0.8
315.19528	1.4
325.18130	0.6
327.05063	4.5
328.05859	82.2
329.06253	9.5
343.08197	100.0
343.19061	9.9
343.24704	1.5
344.08530	12.0
344.12604	1.1
344.19421	1.9
352.97531	0.6
353.33954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
70.27782	3.4
80.24376	0.7
82.96833	0.9
85.21785	0.8
87.25930	0.8
108.02157	1.3
117.03437	3.3
141.36032	0.8
142.04140	0.8
149.70828	0.8
155.05026	3.1
156.05795	1.6
157.06586	10.6
158.03749	1.6
167.03557	0.9
169.02798	1.1
170.03755	9.8
171.04369	1.4
173.06091	21.7
174.06386	1.1
177.99080	1.7
184.05319	2.0
185.02408	1.6
185.06061	8.7
186.03256	6.2
186.06310	0.8
193.01395	2.6
197.02446	2.0
198.03221	24.9
199.03775	1.8
201.01888	1.1
201.05725	1.1
203.07147	6.6
213.02100	1.0
213.05502	5.5
214.02733	9.2
226.02704	18.8
227.03084	1.0
229.05023	5.3
231.06477	1.8
241.05043	27.3
242.02217	1.7
242.05432	2.7
254.02211	2.2
269.04474	1.6
270.01633	4.4
285.04025	1.5
298.01151	12.3
313.03528	58.7
314.03912	8.4
328.05875	100.0
329.06189	9.3
343.08206	47.6
344.08536	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	343.037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92700	0.3
59.01377	81.8
60.01711	0.8
69.55909	0.2
69.85547	1.0
77.01678	0.2
92.57262	0.2
101.12078	0.3
113.04590	0.4
157.02243	0.4
157.03551	7.5
158.03717	0.8
159.01512	1.3
175.77606	0.2
201.02542	100.0
202.02724	9.8
222.63318	0.2
343.03799	2.1
344.03723	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98991	0.7
59.01380	0.8
60.42699	0.6
69.93688	1.7
69.94082	1.2
70.06434	0.7
98.20551	0.8
104.79333	0.6
112.11787	0.7
133.02928	1.6
142.49011	0.6
171.10258	1.2
173.99512	0.8
185.99585	1.3
196.20187	0.7
197.99632	1.6
201.01866	1.0
211.13402	2.7
213.99068	1.0
229.01320	0.7
241.98543	2.2
254.99382	2.0
257.00897	2.3
269.00888	1.4
269.98047	40.0
270.98398	2.7
283.99380	0.9
285.00403	18.0
286.00717	1.7
297.97534	69.3
298.97891	5.7
299.01178	0.9
312.99884	96.4
314.00204	9.3
328.02225	100.0
329.02570	11.6
343.04556	57.0
343.21420	4.2
344.04846	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	343.082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50780	0.8
68.96745	0.8
70.48164	3.1
71.07945	1.0
100.28058	0.8
117.03446	12.7
118.86653	1.0
147.00885	1.2
149.99588	2.1
157.47594	0.8
158.03712	3.1
170.03729	1.5
171.14737	0.9
175.00343	3.6
177.99078	10.2
185.02420	2.4
186.03212	17.8
193.01396	19.0
194.99406	0.9
213.01868	1.7
214.02708	4.7
242.02155	7.3
248.17447	1.1
267.03043	2.9
270.01639	18.9
271.01978	1.7
285.03940	2.3
295.02417	6.8
296.02652	1.0
298.01166	54.4
299.01642	4.6
313.03525	100.0
314.03842	13.2
328.05856	61.4
329.06177	4.9
343.08185	75.6
344.08545	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
59.01382	9.6
69.03463	3.4
69.03754	0.5
70.04480	2.7
71.01380	6.9
73.02929	0.6
75.91920	0.6
80.87029	0.7
83.05031	1.8
84.02164	4.7
85.02943	1.4
89.02450	7.4
92.61657	0.6
93.03501	0.6
95.01402	0.6
97.02965	1.5
97.06592	13.7
98.06929	0.7
99.04513	1.7
101.02447	3.2
104.69881	0.6
113.02467	3.2
115.78519	0.6
119.03522	3.7
122.55699	0.5
125.09707	1.7
127.11304	0.7
137.09706	1.6
143.03560	0.7
149.13354	0.6
161.04568	0.6
163.41899	0.5
164.04825	5.5
165.12827	1.3
171.10269	9.5
175.11220	1.1
177.12762	1.0
179.05605	3.0
179.07138	4.6
183.13864	2.3
191.10616	0.9
193.12329	19.4
194.12708	1.2
197.15369	0.8
211.13327	4.5
221.11792	1.6
225.14961	25.2
226.15302	2.6
238.06247	0.7
243.15979	10.9
243.18269	0.9
253.16423	6.5
291.19653	1.7
305.21262	0.7
323.22314	1.0
326.11389	0.7
341.07062	0.9
341.10898	2.6
341.18362	3.1
341.23303	100.0
342.23685	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	341.2696
Annotation	Eicosanedioic acid
Peak:m/z	Relative Intensity
50.14301	0.6
57.03447	1.4
59.01375	5.5
70.52071	1.7
70.52467	1.2
71.01383	4.1
74.54042	0.6
85.02943	0.7
89.02444	5.1
91.29376	0.7
101.02431	2.4
107.01958	0.7
113.02431	1.5
119.03523	1.2
122.03716	0.8
138.61000	0.6
160.24089	0.6
179.05603	1.8
179.07056	0.7
193.02510	0.7
279.26920	65.5
280.27362	5.9
297.28067	1.1
323.25879	21.7
324.26279	2.5
336.79578	0.7
340.99542	0.7
341.10904	2.2
341.26990	100.0
342.27319	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	342.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99587	0.7
59.01384	8.8
60.01719	0.4
62.40534	0.3
68.01415	0.7
69.49432	2.3
71.01369	0.7
79.95767	0.7
80.96534	1.7
89.02442	0.7
93.03432	0.3
96.96017	0.6
101.02464	0.4
101.16148	0.3
102.98592	3.4
108.02190	0.3
120.99643	1.0
123.03268	10.8
134.03731	0.3
135.04547	0.4
137.02470	0.5
137.04788	0.5
138.05611	100.0
139.05959	4.3
148.05254	0.4
149.06064	1.0
152.07088	0.8
161.04565	0.3
165.04254	0.4
179.03500	0.4
180.04056	0.6
180.06653	2.2
181.08691	0.5
213.05923	1.5
241.01808	0.3
282.09818	0.6
288.26733	0.3
300.10901	2.3
342.12207	3.1
343.08759	0.8
363.29648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29977	0.9
57.03440	2.0
59.01377	13.9
60.01711	0.8
65.87783	0.8
69.03426	2.1
69.28937	2.2
69.29343	6.6
71.01391	9.9
77.58218	1.0
83.05008	2.3
83.65528	0.8
85.02953	1.6
89.01581	1.0
89.02447	10.4
92.49725	0.9
94.02874	0.9
97.06583	13.4
98.20718	1.6
101.02444	4.2
108.31945	0.9
109.74805	0.8
113.02427	2.4
119.03475	3.4
121.02907	1.0
121.70218	0.8
125.09679	1.4
164.04823	5.5
171.10251	8.1
175.11246	2.0
179.05603	3.2
179.07135	5.7
183.13911	1.8
193.12314	17.2
197.11865	1.1
197.15553	1.3
211.13313	5.6
225.14941	22.4
226.15334	1.4
243.16000	12.0
253.14198	1.1
253.16441	2.0
299.18494	3.4
300.69800	1.2
341.10834	4.2
341.23309	100.0
342.23697	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	341.1756
Annotation	Swartziarboreol C
Peak:m/z	Relative Intensity
50.26980	1.0
51.13167	0.9
56.36584	0.9
59.01112	1.4
59.01379	19.5
71.01385	14.8
71.52040	1.0
71.52460	1.6
72.99308	1.3
85.02951	2.1
89.02436	15.8
101.02416	6.0
113.02465	5.0
119.03505	5.3
160.73048	1.1
161.04541	2.5
164.04755	4.0
171.04478	2.2
172.05205	2.2
173.06056	2.3
179.05605	6.1
179.07141	3.9
186.06902	1.8
187.03955	1.8
187.07619	1.6
188.08366	1.4
198.06892	1.2
199.07603	2.5
201.05540	1.6
213.05534	3.2
213.09181	1.7
227.07098	3.6
228.07845	2.3
228.95175	1.0
241.08676	8.9
242.09187	1.7
243.10133	1.3
271.13321	3.8
279.17740	1.4
284.14197	2.5
286.12057	1.9
298.15665	3.6
303.14615	1.0
311.12772	7.2
312.17090	1.9
313.18210	2.3
339.16028	1.8
341.10803	5.6
341.17551	100.0
342.17944	12.5
359.82657	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1757
Annotation	Swartziarboreol C
Peak:m/z	Relative Intensity
57.03432	2.7
59.01381	10.2
65.80309	0.8
71.01390	7.9
71.52581	0.7
79.05538	0.8
83.05016	0.7
85.02940	1.5
89.02448	9.2
101.02432	4.6
106.90603	0.7
113.02439	2.6
115.53284	0.8
119.03479	2.9
122.03815	0.9
164.04839	1.7
171.04468	2.1
172.05341	3.6
173.05994	1.5
174.75792	0.7
179.05611	3.2
179.07111	2.2
180.87978	0.7
184.05293	1.6
185.06049	4.6
186.06738	1.7
187.04007	2.6
193.06674	0.9
197.05922	0.9
197.09663	0.9
198.06874	1.2
199.04008	0.9
199.07657	5.3
201.05653	1.0
209.09691	2.0
210.07179	0.8
213.05618	1.5
213.09221	3.0
225.09256	1.0
226.06308	1.3
226.09933	1.9
227.07086	3.3
228.07872	1.8
233.36342	0.9
239.10739	1.7
239.14413	3.0
240.11525	2.8
241.08646	8.5
242.09402	2.9
253.08714	5.4
254.09323	1.5
255.13965	1.9
267.10202	1.9
271.13287	4.1
282.12622	2.0
283.13376	11.2
284.13870	1.9
286.12244	1.5
298.15695	4.9
311.12805	3.7
311.25931	0.8
324.13547	0.9
325.14499	1.1
341.10797	4.0
341.17560	100.0
342.17883	14.6
342.27484	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	341.124
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
56.01379	0.2
56.04690	0.2
57.75632	0.2
59.01387	0.3
69.14591	1.7
69.15016	0.5
91.05533	0.2
99.39413	0.2
104.57502	0.3
108.23438	0.2
119.05024	0.3
121.95601	0.2
135.04568	0.3
137.02431	1.3
145.02884	0.3
146.64308	0.2
155.20541	0.2
163.04021	2.1
164.04785	100.0
165.05115	6.0
179.07126	79.6
180.07462	5.0
234.52791	0.2
250.58142	0.2
290.39914	0.2
310.16763	0.2
341.12354	1.4
360.02216	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87738	1.0
59.01377	6.1
60.10893	0.9
71.01380	3.2
71.52393	1.5
79.95716	2.0
80.96532	1.4
89.02425	3.2
91.05482	1.1
96.96014	1.2
101.09666	1.0
113.02403	1.0
118.98061	1.6
119.03504	1.0
136.01648	0.9
137.02388	1.9
145.02937	3.8
163.03975	2.2
164.04790	55.5
165.05118	2.9
179.07137	53.1
180.07449	3.9
196.05287	2.1
207.08076	1.0
222.06836	1.5
223.07626	1.2
224.04732	5.5
225.09131	1.4
227.10794	2.2
237.05437	1.4
238.06349	9.6
239.06873	2.3
239.10803	2.1
241.08719	2.4
252.04253	1.3
253.08734	1.5
254.09535	1.9
255.10243	12.1
259.75018	1.1
265.08670	2.1
266.05811	6.2
267.10330	1.7
269.11835	4.4
270.05362	1.5
270.12604	4.0
282.08929	2.0
283.09744	52.0
284.10150	5.1
294.08917	2.5
295.09525	5.1
296.10538	2.5
297.11328	3.1
298.12073	4.3
309.11493	2.0
310.08499	2.0
310.12033	2.6
311.09232	100.0
312.09558	9.7
325.10803	13.6
326.11566	78.7
327.11902	9.3
341.07092	3.0
341.13916	82.6
342.14261	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	341.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.0
59.01379	15.5
62.42271	0.7
64.76128	0.7
71.01379	10.4
71.30656	0.8
72.99302	1.5
73.02932	1.2
75.00877	1.7
79.95742	7.5
85.02957	3.4
87.00876	13.1
89.02450	10.7
91.05599	0.9
93.03445	0.8
95.05032	1.2
96.96014	100.0
97.06607	1.1
98.19889	2.6
101.02439	4.7
104.44150	0.7
106.04260	0.9
108.02164	1.4
109.06585	2.1
111.00869	3.0
111.04534	1.1
113.02446	4.0
116.92864	6.9
119.03532	4.0
125.06081	1.2
129.01932	2.2
135.04535	1.3
135.08141	1.1
136.05312	2.1
143.03477	0.9
149.04550	0.7
149.06136	0.9
155.27672	0.7
161.04562	1.0
163.30161	0.7
164.04759	4.4
165.12819	2.3
173.09709	4.2
178.09941	4.0
179.05585	3.5
179.07153	3.3
179.10704	1.2
183.08231	0.9
189.12941	1.4
191.10658	0.9
197.04420	0.7
199.11328	1.4
201.12840	1.0
205.12386	0.9
207.13997	1.3
209.11838	1.3
211.13387	8.5
212.13693	0.8
215.14340	0.8
217.12248	0.9
219.13899	1.0
223.13405	3.1
225.15004	1.9
228.47844	1.0
233.15393	1.1
235.13364	3.5
237.14923	0.9
243.10220	1.0
245.11783	2.6
247.13431	4.2
249.15001	1.9
251.12877	16.3
252.13150	1.2
253.14500	2.6
259.13400	4.0
261.11615	1.0
261.14929	1.1
263.12851	4.6
265.14496	3.7
277.14474	3.4
281.13989	3.1
287.12860	1.3
293.14011	2.6
305.13913	5.9
306.14188	0.7
323.15051	2.5
324.15161	0.9
326.11240	0.9
336.22681	0.7
341.06979	6.8
341.10956	3.9
341.16083	3.4
341.19843	0.9
342.07315	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1086
Annotation	Trehalose
Peak:m/z	Relative Intensity
53.28988	1.1
57.03454	1.6
58.00579	2.5
59.01377	100.0
69.56834	4.9
69.57236	1.9
71.01382	67.8
72.99314	3.3
73.02952	1.9
83.01377	2.8
85.02945	10.1
87.00874	4.2
89.02441	80.1
90.02784	1.2
95.01382	3.9
99.00892	1.3
101.02441	31.2
113.01713	2.0
113.02456	24.1
119.03505	26.1
131.03485	3.7
134.03755	1.8
135.04523	72.2
136.04848	3.8
143.03510	7.3
149.04523	2.9
161.04559	8.6
179.03473	60.8
179.05577	24.2
180.03790	4.5
199.75032	1.1
223.03630	1.4
341.11005	33.1
342.11179	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.124
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99606	0.6
59.01378	6.9
63.45719	0.5
68.37356	0.5
71.01395	5.1
72.19003	0.5
77.37290	0.5
79.95707	0.5
80.96554	1.1
85.02962	1.1
87.00893	0.6
89.02445	5.1
89.81968	0.6
92.96362	0.7
96.96011	1.0
101.02444	2.4
102.98609	3.9
108.06477	0.5
113.02431	1.3
118.98071	0.8
119.03519	1.6
119.05004	0.5
135.04486	0.7
137.02477	0.7
161.04372	0.5
163.04036	1.7
164.04790	100.0
165.05119	4.7
179.07130	84.4
180.07452	5.4
191.05551	0.7
195.45590	0.6
328.30130	0.5
341.11685	2.4
341.15967	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1238
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
59.01372	1.9
60.94527	0.2
62.89574	0.3
66.49829	0.3
70.27175	1.2
71.01383	1.2
74.99128	0.4
82.37614	0.3
85.02951	0.4
89.02451	1.3
96.95977	0.3
101.02450	0.7
102.98589	0.6
110.24575	0.3
118.98078	0.8
135.04518	0.8
135.29794	0.3
137.02423	1.2
150.06851	0.9
160.51779	0.3
163.04010	1.5
164.04784	100.0
165.05103	4.9
166.05066	0.4
178.06342	0.5
179.07126	92.5
180.07486	6.3
192.52734	0.3
231.97511	0.3
269.65057	0.4
341.12817	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
57.24734	0.3
59.01387	0.9
68.72411	0.4
69.59978	2.0
71.01405	0.5
72.99337	0.5
81.03448	0.6
91.05535	0.4
95.85916	0.4
98.19937	0.7
103.86092	0.4
107.05027	1.3
110.61897	0.4
117.03477	0.7
125.02444	1.3
126.40931	0.4
126.75159	0.4
134.03745	3.4
135.04524	100.0
136.04851	5.1
138.05611	0.6
146.03726	0.7
150.50743	0.4
179.03494	92.9
180.03819	5.7
205.03506	1.3
215.12984	0.4
223.04640	0.9
239.23932	0.4
254.88985	0.4
299.49561	0.4
341.08630	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
51.48725	0.6
58.00602	1.1
59.01378	27.0
62.85559	0.5
63.11336	0.6
70.35865	2.1
71.01379	19.1
72.99300	1.3
83.01420	0.9
85.02953	2.6
87.00873	1.5
89.02445	22.3
95.01416	0.9
101.02444	8.8
107.05029	1.0
113.02450	8.0
119.03500	9.0
131.03508	1.8
134.03716	3.1
135.04524	100.0
136.04855	5.6
143.03500	2.2
149.04553	1.0
161.04570	3.3
179.03494	86.7
179.05534	5.0
180.03853	6.0
205.03665	0.7
297.84674	0.6
341.11240	8.2
347.34177	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17522	0.5
59.01372	6.0
66.11271	0.5
70.80241	0.6
70.80569	0.9
71.01384	3.9
73.02926	0.6
79.95728	3.9
80.96510	2.6
85.02955	1.2
89.02435	2.2
95.95229	1.7
96.96006	96.3
101.02424	2.5
113.02457	0.8
119.03497	0.5
122.97584	1.3
138.97023	1.4
150.97067	2.0
180.98184	1.2
224.81714	0.5
225.00784	1.0
241.00287	4.2
341.09076	100.0
342.09396	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	341.1086
Annotation	Trehalose
Peak:m/z	Relative Intensity
57.03444	1.5
58.00599	3.1
59.01380	100.0
60.01707	1.2
61.91137	0.6
71.01382	65.9
71.17558	1.5
72.01725	1.0
72.99329	3.0
73.02950	2.8
83.01394	2.0
85.02958	7.8
87.00868	3.2
89.02446	75.0
90.02777	1.7
95.01399	4.7
97.02934	0.7
101.02439	29.8
113.02454	24.5
119.03503	28.4
131.03516	4.5
143.03513	6.2
149.04553	3.1
161.04549	8.2
179.05617	25.1
180.06108	0.9
290.23434	0.8
341.10855	31.7
342.11197	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1087
Annotation	Trehalose
Peak:m/z	Relative Intensity
55.01877	1.0
57.03440	1.6
58.00595	3.9
59.01380	100.0
60.01709	1.4
69.33634	1.9
69.34051	5.4
71.01383	66.9
72.01749	1.0
72.99308	4.3
73.02935	1.4
83.01405	1.9
85.02961	8.5
87.00884	3.3
89.02445	80.9
90.02778	1.7
91.23972	0.8
95.01402	3.5
99.44471	0.9
101.02445	32.6
107.03549	0.8
113.02449	26.0
119.03504	31.1
131.03494	3.1
135.04518	2.0
143.03500	7.1
149.04538	3.8
161.04547	10.6
179.03841	1.5
179.05606	29.9
180.05934	1.3
263.45776	0.9
341.10876	32.4
342.11398	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1086
Annotation	Trehalose
Peak:m/z	Relative Intensity
57.03439	1.4
58.00584	3.4
59.01378	100.0
60.01715	1.3
70.98842	2.5
71.01378	64.6
72.01691	1.5
72.99298	3.1
73.02939	1.7
83.01357	1.2
85.02953	9.6
87.00859	3.0
89.02441	86.9
90.02792	1.1
95.01358	3.6
98.19964	1.2
99.00916	1.2
101.02441	30.8
113.02451	27.3
114.02777	1.3
119.03493	33.1
131.03484	5.5
134.03789	1.3
135.04527	24.1
143.03491	9.1
149.04526	3.9
161.04546	11.5
176.51500	1.0
179.03493	25.3
179.05605	34.1
180.03848	1.4
180.05846	1.0
181.28818	1.1
196.87405	1.0
203.04022	1.2
212.35617	1.0
341.10892	38.0
342.11307	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2326
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
51.69280	0.5
57.14968	0.6
58.75005	0.6
60.76942	0.7
62.83976	0.7
63.44429	0.6
69.97021	3.2
77.49052	0.6
86.25066	0.7
92.14053	0.6
119.23462	0.6
137.26826	0.6
155.03088	0.6
163.11279	100.0
164.11595	7.1
339.23254	90.2
340.23584	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	339.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01701	1.7
61.10810	0.6
68.04861	0.6
70.11790	2.7
96.23064	0.6
98.19915	0.7
131.79950	0.6
143.35532	0.7
183.01198	1.7
279.23306	7.2
297.24338	41.4
298.24722	3.9
339.20004	4.4
339.25427	11.9
340.25818	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99603	6.9
59.01380	5.4
70.67410	0.3
71.01381	2.7
71.52280	0.4
74.99101	1.2
79.95753	0.3
80.96530	0.3
85.02948	0.7
89.02436	2.9
93.03529	0.3
96.96015	0.9
101.02415	1.4
102.98595	39.0
103.98978	0.3
113.02469	0.9
114.81982	0.3
117.03451	0.4
118.98119	0.5
119.03529	1.3
120.99667	1.3
135.04526	0.7
135.08142	0.3
137.02454	1.1
138.03122	0.2
150.03249	0.9
155.45282	0.3
161.06079	0.6
162.03189	1.4
163.00716	1.3
163.04001	2.3
164.04788	100.0
165.05104	5.4
177.05579	1.2
179.07129	87.3
180.07497	4.9
191.05707	0.3
193.03284	0.3
211.04265	0.3
215.58572	0.3
250.79486	0.3
341.06885	0.7
341.12250	2.0
341.16190	0.5
356.90829	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1233
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
64.06921	0.7
70.12544	2.1
70.12930	1.5
76.83427	0.8
96.96007	19.7
96.96597	1.1
109.64461	0.7
117.03551	0.8
122.07760	0.7
145.02988	3.8
163.04089	1.7
174.34148	0.8
179.07173	1.5
179.08704	1.2
180.05731	1.1
185.02470	0.9
191.08649	1.6
207.08163	2.6
217.06625	2.5
218.07251	1.0
219.08134	3.2
221.06111	2.7
223.07637	1.4
224.04878	0.7
225.09146	1.3
233.06087	1.5
234.06595	1.7
235.07616	5.9
236.08240	0.8
237.09242	1.7
239.07133	1.3
245.06085	2.2
246.06819	2.4
247.07442	1.6
251.07205	1.6
252.07809	1.0
253.05026	1.1
253.08684	6.9
262.06305	2.3
263.07095	17.7
264.07617	3.0
265.08701	1.3
268.11090	2.0
273.05646	0.7
274.06284	1.2
275.07196	1.7
276.07822	0.9
280.07333	2.8
281.08176	28.6
282.08539	2.9
291.06656	7.0
292.07330	3.0
293.08170	7.1
294.08838	3.3
295.09637	1.9
296.10443	3.9
306.09198	0.8
307.09711	2.4
308.06992	1.3
308.10413	6.0
309.07675	100.0
309.10852	4.3
310.07947	10.5
323.09204	22.1
324.09985	67.1
325.10257	7.0
339.12347	60.2
340.12640	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	337.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38918	3.4
56.53236	3.6
57.03442	12.6
58.78432	3.7
59.01372	5.1
64.69993	3.6
69.03455	5.0
71.52221	3.3
71.52621	5.6
79.05544	9.5
81.07111	7.4
83.05030	14.8
96.95997	9.6
119.08706	7.2
121.10220	13.6
133.10233	10.5
135.11693	6.3
145.10194	5.2
147.11800	12.7
149.06071	4.7
161.13339	9.0
173.13324	8.6
185.13261	7.5
191.10832	6.8
201.16306	4.4
229.19556	13.3
241.19604	76.1
241.29903	4.1
242.19922	7.1
253.19595	100.0
254.19852	13.3
259.20627	20.3
262.12140	4.0
265.19592	33.5
271.20660	58.9
272.20987	8.6
283.20660	19.9
289.21887	6.5
293.13998	7.7
295.05826	4.7
301.21658	11.4
319.22766	15.9
322.08554	5.7
337.16537	6.0
337.20099	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	339.0718
Annotation	AESCULIN
Peak:m/z	Relative Intensity
59.01379	0.5
69.64781	0.5
69.65187	1.3
75.78510	0.2
78.20349	0.3
81.03425	0.3
84.95747	0.2
89.03963	1.6
98.19897	0.5
104.02650	0.7
105.03460	3.6
133.02951	8.9
134.03235	0.3
148.01662	0.8
149.02438	1.0
176.01175	1.3
177.01921	100.0
178.02267	5.5
295.49045	0.3
295.83319	0.3
339.07156	11.5
340.07526	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0718
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
53.14090	0.5
53.24773	0.5
55.80848	0.6
56.52545	0.6
59.01384	2.4
65.00323	1.0
65.03967	1.8
67.01886	0.7
69.70276	1.0
69.70682	2.2
71.01398	0.6
83.05032	0.8
91.01897	51.2
92.02242	1.5
96.96011	3.3
98.95621	0.5
102.51648	0.7
107.01354	0.5
108.02152	1.4
109.02953	14.1
121.02942	1.5
122.03750	0.6
133.02968	1.4
135.00885	100.0
136.01143	3.7
137.02437	3.4
149.02426	1.4
153.01932	61.7
154.02275	2.8
157.08667	1.0
161.02457	1.8
177.01915	1.4
189.01979	1.3
279.05124	0.8
295.15466	0.7
297.06079	1.3
339.07172	26.7
339.14291	1.4
340.07419	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	337.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
58.00585	4.5
59.01379	94.8
60.01702	1.3
69.61482	5.5
71.01380	46.2
72.01710	1.5
72.99306	2.6
73.02943	1.2
76.30544	1.1
83.01385	2.7
85.02957	14.3
87.00869	3.6
89.02444	49.9
93.03440	3.1
95.01403	3.7
96.95992	1.5
98.20727	1.6
99.00854	1.7
101.02440	32.2
113.01730	1.3
113.02456	17.0
113.09687	2.1
119.03497	24.4
119.04940	2.4
120.03889	1.3
131.03481	3.0
143.03474	1.7
149.04514	1.3
161.04514	2.6
163.03990	2.9
175.09700	1.2
178.02513	1.1
179.05550	3.6
191.05600	59.8
192.05974	2.9
218.45972	1.1
337.15018	100.0
338.15353	10.9
357.53326	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
58.00585	4.5
59.01379	94.8
60.01702	1.3
69.61482	5.5
71.01380	46.2
72.01710	1.5
72.99306	2.6
73.02943	1.2
76.30544	1.1
83.01385	2.7
85.02957	14.3
87.00869	3.6
89.02444	49.9
93.03440	3.1
95.01403	3.7
96.95992	1.5
98.20727	1.6
99.00854	1.7
101.02440	32.2
113.01730	1.3
113.02456	17.0
113.09687	2.1
119.03497	24.4
119.04940	2.4
120.03889	1.3
131.03481	3.0
143.03474	1.7
149.04514	1.3
161.04514	2.6
163.03990	2.9
175.09700	1.2
178.02513	1.1
179.05550	3.6
191.05600	59.8
192.05974	2.9
218.45972	1.1
337.15018	100.0
338.15353	10.9
357.53326	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.5
61.95891	0.4
69.46514	2.7
87.00801	0.5
96.95997	1.4
98.20645	0.6
113.58585	0.4
122.03755	0.4
177.74252	0.5
190.09967	0.5
190.77197	0.5
191.05644	0.6
207.13873	0.7
243.73395	0.4
248.47057	0.5
277.18063	0.8
289.17923	0.5
291.19473	0.7
293.13834	0.6
307.19162	1.6
337.20099	100.0
337.23056	22.7
338.20261	12.5
349.50339	0.4
352.09796	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2019
Annotation	Idebenone
Peak:m/z	Relative Intensity
59.01388	2.5
61.95891	0.4
69.46514	2.7
87.00801	0.5
96.95997	1.4
98.20645	0.6
113.58585	0.4
122.03755	0.4
177.74252	0.5
190.09967	0.5
190.77197	0.5
191.05644	0.6
207.13873	0.7
243.73395	0.4
248.47057	0.5
277.18063	0.8
289.17923	0.5
291.19473	0.7
293.13834	0.6
307.19162	1.6
337.20099	100.0
337.23056	22.7
338.20261	12.5
349.50339	0.4
352.09796	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1081
Annotation	(-)-Glyceollin I
Peak:m/z	Relative Intensity
54.75215	0.6
59.01412	1.4
61.13202	0.6
69.53280	2.3
69.53684	1.8
74.67655	0.8
93.03501	1.2
98.95700	0.8
111.85820	0.6
135.04651	0.9
145.03035	1.7
153.98743	0.6
157.03041	0.8
162.03270	1.3
169.03065	1.2
169.06786	0.8
173.09636	0.9
177.05595	4.9
195.08238	3.1
205.06577	1.7
206.07387	1.6
207.08083	5.2
209.06102	0.8
217.06557	1.3
219.08183	0.8
220.05330	0.8
221.06216	1.3
222.06952	1.9
223.07617	5.4
233.06110	1.9
234.06909	3.3
235.04047	1.4
235.07645	13.8
236.04642	0.8
236.07950	1.4
237.05617	2.0
245.06111	0.7
249.05652	1.1
250.06429	2.1
251.07120	13.5
261.05545	1.9
262.06393	2.3
263.07120	6.4
264.07742	1.4
266.09549	5.6
278.05783	4.4
279.06607	85.8
280.06964	8.7
289.05069	1.2
290.05792	2.1
291.06616	36.3
292.07251	12.3
293.08084	3.1
293.14063	0.8
294.08990	7.8
295.09396	1.3
305.08206	5.2
306.05798	0.7
306.08923	28.5
307.06125	100.0
307.09497	7.7
308.06473	11.9
308.09958	1.2
321.07642	13.9
322.08429	57.9
323.08710	6.2
337.10779	61.0
338.11044	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	337.108
Annotation	(-)-Glyceollin I
Peak:m/z	Relative Intensity
55.22306	0.9
58.20155	0.9
59.01369	0.9
64.13109	0.8
67.39285	0.7
96.96018	1.0
107.86248	0.7
108.79482	0.8
126.32137	0.8
142.15218	0.7
144.98714	1.0
145.02936	1.9
162.03206	1.5
169.02927	1.1
169.06520	1.0
176.03983	1.2
177.05531	2.9
179.08612	1.0
195.08113	2.3
205.06580	1.2
206.07318	2.7
207.08121	4.9
209.06084	1.1
217.06451	1.2
218.07425	0.9
221.06088	1.3
222.06851	2.2
223.07669	4.9
229.18661	1.1
233.06053	1.3
234.06891	3.7
235.03917	2.5
235.05177	0.9
235.07587	14.3
236.08035	2.0
237.05551	2.9
245.06139	0.9
249.05615	0.9
250.06233	3.7
251.07109	13.1
252.07484	1.4
261.05618	1.1
262.06168	2.2
263.07104	7.8
264.07852	1.1
265.08447	0.9
266.09512	5.0
274.76749	0.9
278.05847	3.0
279.06604	91.9
280.06934	9.8
290.05841	2.1
291.06610	38.3
292.07309	12.3
293.08060	4.1
294.08969	7.5
305.08246	4.8
306.05756	1.3
306.08939	31.6
307.06131	100.0
307.09540	9.4
308.06448	10.6
308.09869	0.9
321.07669	14.8
322.08441	52.2
323.08795	7.3
337.10779	64.0
338.11032	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	337.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.8
56.60673	1.7
59.01379	37.8
60.64510	2.1
65.29676	1.8
69.03454	6.2
71.01377	19.0
71.51327	3.3
72.99304	28.3
73.02938	4.1
75.00851	9.0
79.95732	1.9
80.96510	2.4
81.03458	35.0
83.01373	2.3
85.02954	15.7
87.00885	6.9
89.02444	7.0
93.03464	17.0
96.96017	2.6
97.02976	3.6
99.00867	25.0
101.02431	8.2
111.04533	2.5
113.02450	10.0
117.01940	4.4
119.03569	2.8
119.05024	62.5
125.02441	83.3
129.01874	3.2
131.03485	4.4
131.07126	8.1
131.36333	1.9
132.04576	4.2
132.43896	1.9
143.03488	11.4
155.03426	2.9
157.08675	4.2
161.04553	7.1
163.04004	100.0
164.04326	5.2
169.01414	3.6
173.04570	14.0
176.03503	3.4
191.05605	85.8
192.05930	4.4
205.03514	93.3
206.03822	4.3
337.09253	6.0
337.15094	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	337.0928
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
52.94216	0.4
57.03427	0.5
59.01377	10.1
60.99301	1.1
67.01888	3.6
69.03448	0.8
69.37806	3.7
71.01376	2.2
81.03458	0.7
83.05020	0.7
85.02949	7.3
87.00877	6.1
93.03456	25.0
94.03815	1.0
94.17522	0.4
98.20618	0.8
99.00889	0.8
100.68366	0.5
101.02441	0.7
109.02950	0.5
111.04507	4.2
119.05034	10.2
127.03987	1.3
129.88531	0.4
145.02921	1.2
155.03525	0.9
158.88365	0.4
163.03998	10.5
163.05202	0.4
164.04349	0.7
166.06346	1.1
171.03073	0.5
173.04536	17.8
174.04800	0.8
181.08662	0.5
191.05602	100.0
192.05930	4.9
337.09286	3.0
337.15250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0928
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
59.01374	4.8
62.89925	0.3
64.75514	0.3
67.01871	0.6
70.18962	0.9
71.01376	2.5
85.02460	0.6
85.02948	8.9
87.00861	2.1
89.02422	1.5
93.03454	7.2
94.03807	0.5
96.95988	0.5
99.00883	0.5
99.04540	0.8
99.89127	0.3
101.02439	1.6
101.93195	0.3
103.17107	0.4
104.16198	0.4
109.02924	0.5
111.04516	1.6
113.02467	1.0
119.03535	0.5
119.05024	2.6
124.54076	0.4
125.32436	0.3
127.04000	1.8
145.02928	0.9
156.85641	0.4
161.04491	0.4
162.55814	0.3
163.04025	2.6
169.32462	0.4
173.04568	2.3
191.05600	100.0
192.05908	4.0
214.93481	0.4
226.28888	0.4
337.09525	2.4
337.15076	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	337.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64736	0.3
56.60098	0.3
57.03433	0.3
59.01377	8.4
60.99293	0.4
67.01882	0.7
69.03449	0.4
69.70390	1.3
71.01379	4.3
72.99318	0.4
73.02946	0.5
73.03799	0.3
81.03463	0.4
83.01352	0.3
83.05018	0.4
85.02948	7.8
87.00874	2.8
87.04487	0.3
89.02445	5.0
91.56122	0.3
93.03457	6.5
94.03724	0.3
95.01377	0.3
96.96004	1.2
99.00884	0.6
99.04532	0.6
101.02433	2.5
109.02953	0.3
111.04523	1.5
113.02457	2.2
117.33524	0.3
119.03514	2.5
119.05005	2.1
127.04027	1.7
145.02916	1.0
155.03578	0.4
163.04050	2.6
171.02936	0.5
173.04507	2.8
175.02690	0.3
191.05611	100.0
192.05969	4.3
217.15730	0.3
246.72716	0.3
315.17871	0.3
337.09299	1.9
337.15085	7.5
338.09473	0.4
338.15326	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75111	0.2
70.45837	0.2
71.22575	0.2
71.22889	0.2
111.00714	0.2
205.33086	0.2
245.19916	0.2
335.22253	100.0
336.22592	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	337.054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97789	0.4
57.51113	0.4
59.01373	2.4
70.67113	0.9
70.99768	0.4
71.01379	7.3
73.02946	8.1
87.00883	3.2
89.02441	27.3
103.04004	5.3
113.99577	0.7
115.00356	2.3
116.44312	0.5
125.11312	0.4
129.94621	0.4
131.03513	1.8
140.08255	0.5
149.04553	100.0
150.04892	3.5
150.66466	0.4
175.04213	0.6
182.97057	1.4
188.93839	0.4
277.05530	0.7
333.12558	0.4
337.04947	0.8
337.08765	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21774	0.5
59.01365	2.2
71.01389	6.9
71.25394	1.3
73.02946	8.0
78.71513	0.6
78.72062	0.7
85.02945	1.6
87.00852	3.4
89.02449	24.5
99.00887	0.6
101.02478	0.8
103.04013	6.3
113.02457	1.4
113.99583	4.2
115.00397	4.6
125.76553	0.8
127.00321	0.8
129.01991	1.0
131.03465	1.5
147.59390	0.5
149.04553	100.0
150.04904	3.1
150.14198	0.6
151.00400	0.6
152.95895	0.9
157.01402	1.2
163.03990	1.4
174.01691	4.1
182.96948	1.1
229.00732	0.6
234.14027	0.6
260.89120	0.7
277.05649	4.0
277.08282	0.7
278.06027	0.8
327.82846	0.6
335.23380	0.7
337.07813	24.0
338.08212	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	335.2227
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
58.77576	0.7
69.75307	0.5
69.75771	0.6
71.01385	1.0
71.52587	0.8
83.05019	1.7
91.18397	0.7
91.66037	0.5
93.07117	0.5
94.39515	0.7
103.38984	0.6
113.06089	1.6
123.08147	1.5
177.12715	0.8
183.02982	5.3
205.12428	0.6
221.15439	6.8
222.15820	0.7
243.21272	1.0
255.21155	2.8
273.22205	1.0
335.22247	100.0
336.22537	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	335.2229
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
58.02224	0.5
59.01374	0.7
61.98819	1.4
66.38799	0.5
68.07418	0.4
69.03424	0.7
69.47832	1.5
69.48240	1.5
87.00856	0.5
94.94714	0.5
96.96019	0.9
111.72340	0.4
126.39168	0.4
168.00636	0.7
170.11360	0.4
183.02965	10.0
184.03371	0.9
203.95657	0.4
223.41412	0.4
227.89696	0.5
273.18579	0.6
335.22250	100.0
336.18600	1.0
336.22577	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	335.2227
Annotation	PGB1
Peak:m/z	Relative Intensity
51.02996	0.5
51.26760	0.5
59.01362	2.1
66.03506	0.7
71.53752	0.8
73.02949	0.7
81.07079	0.7
81.40662	0.6
89.34219	0.6
96.96013	1.3
97.02937	2.8
99.04533	0.8
121.10203	1.0
140.32411	0.7
148.11337	1.1
183.02937	1.1
218.15446	1.0
243.21185	1.9
250.18222	0.9
255.21332	1.3
273.38586	0.6
317.21252	0.6
335.22238	100.0
336.22565	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	335.2228
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
57.50247	0.1
58.79881	0.1
70.31262	0.1
70.31592	0.5
74.31382	0.2
78.80914	0.2
83.49038	0.1
94.72386	0.1
98.20680	0.1
101.78199	0.2
112.22836	0.2
128.36572	0.2
149.06050	0.2
335.22266	100.0
336.22614	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	335.2228
Annotation	PGB1
Peak:m/z	Relative Intensity
51.87055	1.0
70.99081	1.0
71.29356	1.9
71.29685	1.1
81.07124	6.4
97.02954	3.2
121.10194	2.9
135.11789	1.4
146.95033	1.1
161.13391	2.6
173.74994	1.0
175.14908	2.8
187.14923	1.8
189.74141	1.0
192.22552	1.1
243.21156	9.6
246.35760	1.1
255.21161	13.4
256.21552	2.6
273.22223	2.5
317.21317	1.2
335.22269	100.0
336.22525	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	335.2224
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
59.01376	0.2
63.09451	0.2
69.28640	0.4
69.29041	1.4
71.01373	0.3
98.19891	0.4
101.73152	0.2
183.02939	0.3
193.23441	0.2
235.16891	0.2
245.82582	0.2
305.21201	0.2
307.22812	1.9
313.56747	0.2
335.22250	100.0
336.22583	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	333.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26197	0.3
59.01363	0.5
59.93508	0.3
71.52044	0.4
87.18418	0.3
135.04517	0.4
149.06078	0.9
150.06897	0.4
216.99388	0.3
217.15846	0.3
219.30121	0.3
235.16061	0.3
244.19586	0.3
248.14145	1.6
259.20657	0.5
289.21738	0.8
333.20706	100.0
334.21042	13.0
334.25104	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	19.8
61.98825	3.6
64.62404	2.1
64.78133	2.2
69.73228	8.7
70.31103	1.7
71.01389	13.7
72.99317	3.0
73.02947	2.6
80.96528	3.7
83.01419	1.9
85.02947	4.9
87.00875	2.2
89.02435	9.9
93.03455	54.4
94.03791	3.3
96.96024	4.3
98.19965	3.0
101.02438	5.4
103.92038	2.5
111.08149	4.4
113.02447	4.0
115.77930	1.8
117.03370	1.9
119.03543	4.2
129.01889	1.8
137.02443	100.0
138.02756	2.4
146.03725	2.8
155.07111	7.6
164.04753	2.6
179.07074	3.0
183.02979	9.8
192.95802	5.2
208.25058	2.1
299.07544	3.5
335.13559	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	335.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26264	3.3
59.01380	83.7
69.57777	22.5
70.10789	3.1
72.38342	3.3
99.00623	12.1
152.22328	3.4
154.26018	3.6
177.29309	3.4
183.02992	8.2
210.18594	4.0
253.21716	100.0
254.21852	7.2
289.12180	4.0
299.25858	9.3
300.26059	3.4
335.22055	75.1
336.22290	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	335.2224
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
53.39767	0.2
59.01367	1.1
71.01350	0.4
71.52380	0.3
85.02946	2.4
96.96015	5.0
101.02432	0.7
118.38763	0.2
226.91225	0.2
246.46359	0.2
335.11993	1.7
335.22250	100.0
336.22583	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	335.2227
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
52.16692	0.2
53.13049	0.2
68.30849	0.1
69.26288	0.4
69.26700	1.2
80.04821	0.2
98.20683	0.3
183.02985	0.4
335.22266	100.0
336.22614	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	335.2229
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
58.77345	0.2
59.01374	1.1
59.57034	0.1
60.07500	0.2
64.29303	0.2
68.24287	0.2
69.75595	0.2
70.21298	0.6
71.01366	0.4
73.02914	0.2
85.02962	0.3
85.84677	0.2
89.02457	0.3
90.06363	0.2
94.13329	0.2
96.96001	1.4
101.02446	0.4
102.67305	0.2
113.02341	0.2
183.02875	0.3
258.60654	0.2
269.19110	0.3
289.21683	0.5
291.23288	0.2
310.19391	0.2
315.19568	0.4
335.22256	100.0
336.22589	11.7
343.81201	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26896	0.4
67.65369	0.4
71.52100	0.5
71.90164	0.5
96.95997	1.1
120.99656	2.3
335.22247	100.0
336.22586	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	335.2227
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
66.24599	0.3
70.37632	1.1
78.88229	0.3
104.70026	0.3
170.72543	0.3
179.06389	0.3
183.02988	1.3
195.21333	0.3
198.57799	0.3
307.22681	1.5
335.22253	100.0
336.22595	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	333.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
61.05282	0.2
99.04527	0.2
102.75076	0.2
156.61205	0.2
174.47742	0.2
248.90726	0.2
303.19580	0.5
317.99368	0.6
333.20709	100.0
334.21045	12.4
334.25171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12112	0.3
54.91845	0.3
57.03448	0.4
69.31668	2.2
73.99610	0.2
80.51088	0.2
97.06564	0.3
100.49787	0.2
135.08232	0.3
137.09715	1.2
211.20222	0.3
226.14540	0.3
229.15927	0.4
245.15569	0.3
289.17963	0.9
289.21606	0.6
315.19601	0.7
333.20682	100.0
334.21033	12.2
334.25134	0.4
343.77805	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.1
59.01377	1.3
61.98806	0.7
65.70750	0.7
69.36232	6.6
78.67202	0.7
81.07073	1.2
83.05025	83.3
84.05353	1.4
95.05010	1.4
97.02945	2.0
97.06605	1.1
98.19909	1.1
119.08639	0.9
121.10215	1.6
123.08191	0.9
124.69332	0.8
133.02896	0.8
135.08148	1.3
157.08702	2.7
175.14935	2.2
201.16464	2.2
207.17526	2.4
249.14890	1.2
251.16463	2.4
271.20718	4.5
272.21091	0.8
273.14658	2.1
289.21671	6.9
303.19757	1.6
315.19614	0.9
333.02795	1.1
333.17300	3.4
333.20691	100.0
334.21033	12.7
359.28149	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79170	0.4
54.78865	0.4
70.83020	1.2
84.02366	0.4
97.06584	1.4
108.89638	0.4
178.33022	0.5
219.78455	0.4
235.13319	0.6
300.63275	0.5
333.20691	100.0
334.21008	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	333.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01709	1.6
70.49342	1.5
70.49671	1.4
71.01379	4.1
71.28728	0.9
73.02928	2.5
83.05021	3.4
85.02939	2.6
88.74996	0.9
91.05569	1.0
92.88003	1.0
101.02435	4.8
110.00156	0.9
113.02405	1.5
163.60300	0.8
183.03209	0.8
188.96793	1.0
194.49068	1.0
201.60951	0.9
291.18134	3.2
314.78839	1.0
333.17349	2.7
333.20691	72.5
334.21066	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	333.2071
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
52.61849	0.9
59.01371	3.6
71.52808	1.0
80.93784	0.8
101.06065	4.5
231.13812	0.9
273.18524	9.9
274.19040	2.0
333.20697	100.0
333.24091	4.9
334.20941	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.4
61.98818	0.5
61.99697	0.3
65.89728	0.3
67.46741	0.3
69.99364	1.2
72.78462	0.3
73.21652	0.3
83.05024	0.5
89.52377	0.3
89.83783	0.3
98.20540	0.5
114.31995	0.3
152.13957	0.3
171.05229	0.3
186.33759	0.3
189.86931	0.3
198.30960	0.3
269.19031	0.3
277.18066	0.8
314.63544	0.3
314.97647	0.4
333.20694	100.0
334.21030	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	333.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99603	13.7
59.01380	3.0
64.80954	0.8
71.52138	1.4
74.99117	1.6
87.02605	0.8
90.49467	0.7
94.51374	0.8
96.96009	1.5
102.98598	100.0
103.98989	1.4
105.70895	0.9
120.99656	11.4
129.09222	1.4
139.11317	3.7
147.04533	1.4
163.00708	5.8
201.11330	1.0
333.09909	1.1
333.13690	1.8
333.17145	1.1
333.20688	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	333.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99603	14.1
59.01381	3.7
61.47256	0.5
61.69712	0.6
69.37796	3.4
69.38207	1.4
74.99095	2.4
85.02949	15.3
96.96039	1.0
97.80316	0.6
98.20663	1.2
102.98596	100.0
103.98942	2.1
109.20708	0.6
120.99639	7.5
124.75570	0.6
139.11298	1.4
146.38850	0.7
147.04587	1.3
163.00716	4.9
215.31529	0.6
223.57899	0.7
333.20685	78.1
334.21042	8.2
357.83517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.0
59.01376	0.8
69.03455	1.6
69.49866	1.0
69.50286	1.5
71.01390	0.4
76.56896	0.5
79.95738	0.4
80.96532	0.5
83.05022	0.6
89.02441	0.5
89.41086	0.4
96.95996	0.5
111.08159	3.5
131.03502	0.8
137.09729	1.1
139.11288	55.4
140.11618	3.1
149.04462	0.5
149.32564	0.4
157.12331	1.1
170.62135	0.5
171.57498	0.4
183.10265	25.8
184.10593	1.6
201.11324	100.0
202.11661	6.3
211.60449	0.4
219.64438	0.4
248.41275	0.4
267.99814	0.4
330.12589	0.4
332.72235	0.4
333.15485	12.4
333.20563	3.3
334.15677	1.2
334.20926	0.6
346.26947	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03199	0.6
57.03450	7.7
57.44518	0.7
59.01382	5.3
65.98343	0.5
67.33037	0.5
69.03452	2.1
71.01370	2.4
71.05023	2.3
71.52883	0.7
72.02118	0.6
73.02950	5.4
78.95890	2.2
79.95736	2.0
80.96516	3.7
83.01356	0.7
83.05024	1.8
85.02948	6.3
85.06593	0.9
85.48710	0.6
85.80386	0.6
86.03716	1.4
87.00893	1.1
87.04513	43.5
88.04835	0.8
89.02427	1.0
94.06653	1.0
96.96007	1.6
97.06583	1.4
101.02464	1.5
101.06091	3.4
101.26190	0.5
111.04465	1.1
113.02441	2.0
113.06087	13.2
121.05330	1.8
121.10235	2.2
122.06120	5.4
125.02459	0.7
125.06149	0.7
131.03474	0.9
137.05972	0.7
137.09752	2.9
139.11285	10.8
140.11549	0.7
143.07155	0.7
148.69028	0.6
149.04585	3.2
153.04297	1.2
153.09285	0.7
155.10786	9.2
156.11046	0.8
156.54297	0.6
157.08667	0.6
157.12318	2.3
161.04630	0.6
162.03236	2.7
164.03741	0.8
171.10255	1.8
176.72397	0.6
177.05571	2.4
179.10713	1.9
183.10275	3.8
191.05452	0.6
201.11317	100.0
202.11636	6.3
217.10675	0.9
223.13458	0.7
235.13467	0.9
237.26694	0.6
241.01212	0.8
245.12946	5.4
246.13264	0.8
253.14445	11.1
254.14778	1.0
271.10486	0.7
289.11896	2.5
291.14645	0.6
333.06250	1.3
333.10196	5.6
333.15521	25.0
333.19244	2.0
334.15955	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	333.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37402	4.3
69.37823	3.1
79.95729	1.2
80.96501	0.9
93.72953	1.0
96.96008	6.9
98.19960	1.9
105.14211	1.1
114.51043	0.9
121.30312	0.9
135.04492	1.8
145.02957	1.3
146.03734	72.5
147.04214	3.1
147.07884	0.9
152.98630	11.8
161.06087	23.0
162.06392	1.0
163.03998	2.5
164.04782	48.0
165.05127	2.7
179.07135	100.0
180.07440	7.1
201.11276	2.4
243.92581	0.9
253.14427	2.8
333.02481	1.4
333.06470	26.7
333.10007	1.9
333.15439	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	333.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.2
59.01372	3.6
61.09491	0.6
65.79887	0.6
69.31206	5.5
71.01374	2.2
73.02950	0.7
77.03981	0.6
78.03487	1.4
80.16151	0.6
80.96521	0.8
85.02946	11.0
87.00883	0.7
92.05047	2.6
94.06609	5.3
95.04979	0.7
96.96004	2.8
98.20815	0.8
101.02432	1.4
103.04264	0.6
104.05058	3.4
105.03452	2.3
106.06627	15.0
107.03819	0.9
108.04562	1.4
113.02430	0.8
113.55204	0.6
120.04556	6.4
121.05351	1.7
122.02473	0.7
122.06123	15.5
123.03264	2.1
124.07657	1.2
129.84297	0.6
131.03789	1.2
132.04544	8.1
133.04807	0.6
134.06596	1.2
134.56804	0.8
138.04550	1.4
138.05608	25.1
139.05959	1.4
147.88991	0.7
148.04005	0.8
149.06042	0.7
150.05579	2.3
155.10777	6.0
156.11119	2.7
157.01408	4.4
157.11349	3.0
164.03508	0.8
166.05078	1.2
187.05974	0.7
189.07925	1.3
199.09773	2.6
200.10176	0.8
201.10202	2.4
213.06717	1.1
215.11870	1.3
217.07387	2.5
229.09743	0.8
231.11353	0.9
241.09877	3.1
243.11304	2.3
259.10797	1.1
266.60858	1.2
271.10855	0.9
289.11923	100.0
290.12244	9.5
333.10770	7.1
333.14102	1.7
333.20685	7.8
334.10947	0.9
334.21021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50845	0.3
57.03437	0.3
59.01383	0.5
71.52545	0.4
83.04999	0.4
85.02950	100.0
86.03295	2.0
101.11279	0.3
133.06595	0.4
148.51195	0.3
155.14648	0.4
167.53601	0.3
203.10748	0.9
220.70920	0.3
234.15747	0.3
244.77316	0.3
247.09676	1.2
249.15274	0.3
259.16989	0.6
271.61566	0.3
333.05966	0.4
333.13687	0.7
333.17130	0.6
333.20673	11.9
334.20905	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06727	0.5
59.01366	1.6
69.03445	1.0
69.65900	3.1
71.01376	1.3
71.05016	2.5
73.02952	1.3
85.02959	0.7
95.23686	0.5
101.02417	1.3
117.03436	1.5
131.03516	1.1
132.38397	0.5
137.09691	0.7
139.11253	2.3
153.12849	1.1
155.10747	1.9
192.19357	0.5
192.58351	0.5
199.13387	100.0
200.13759	7.6
229.04910	0.6
289.20206	2.0
301.03424	0.6
331.17596	6.9
332.18185	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1913
Annotation	Ligularinone B
Peak:m/z	Relative Intensity
50.22289	0.6
57.03447	15.2
57.45695	0.5
59.01373	3.6
61.98824	0.6
69.44209	0.5
69.95380	2.4
71.05013	1.1
72.31483	0.5
79.05525	4.5
83.05029	5.2
97.06608	0.8
97.35075	0.6
108.02006	0.5
118.40697	0.6
119.08655	2.3
121.06583	0.6
123.08148	0.7
133.10156	1.0
135.08089	0.9
137.09698	1.5
145.06648	0.6
145.10201	2.3
149.09735	1.2
155.10728	0.7
161.09711	0.6
175.11253	1.0
185.13344	1.5
187.11244	1.4
189.12837	0.7
191.14375	0.8
203.14384	1.3
225.16570	0.7
231.13919	1.5
235.15013	1.1
243.17392	0.9
249.14955	16.3
250.15289	1.6
251.18040	1.9
253.15999	0.8
269.19159	3.3
285.18515	1.0
287.20114	1.6
331.15582	4.7
331.19104	100.0
332.15509	0.8
332.19495	12.4
332.23242	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1914
Annotation	PGB3
Peak:m/z	Relative Intensity
62.90635	0.2
69.35352	0.8
69.35788	1.1
137.04472	0.2
160.15385	0.3
287.20206	1.4
331.19125	100.0
332.19476	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	331.1914
Annotation	PGB3
Peak:m/z	Relative Intensity
59.01385	2.9
71.30047	0.4
97.02955	2.1
115.94022	0.3
119.86945	0.3
209.86389	0.3
256.14697	0.4
271.17001	0.5
271.21793	0.4
287.20145	3.7
288.20517	0.4
289.18033	0.4
293.76862	0.3
331.19131	100.0
332.15454	0.7
332.19467	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	332.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35530	0.4
54.51115	0.4
59.01380	0.4
61.98830	100.0
70.53281	0.4
70.53635	1.3
83.05028	4.7
95.05020	0.9
101.98109	0.9
113.42460	0.4
121.46621	0.4
133.06566	0.6
135.08134	2.0
151.77710	0.4
160.85579	0.4
175.83125	0.5
178.06267	0.5
185.13405	0.7
186.16582	0.4
203.14424	2.6
247.13379	12.9
248.13678	0.9
259.16965	0.8
270.19394	0.5
289.21710	1.0
332.11145	17.0
332.19473	5.7
333.11700	1.1
333.16724	0.9
333.20700	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	333.0594
Annotation	GroPIns
Peak:m/z	Relative Intensity
64.65942	0.2
65.71430	0.3
69.10730	0.2
69.71228	1.5
78.95902	100.0
96.96960	19.6
97.28308	0.3
111.45309	0.3
144.57214	0.3
150.98000	1.1
152.99579	76.2
153.99944	1.1
171.00636	8.4
172.00978	0.3
223.00125	1.0
241.01169	38.0
242.01479	1.3
247.86987	0.4
259.02234	2.1
262.94016	0.4
284.29431	0.2
333.05896	89.7
334.06241	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	331.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58384	0.4
55.53721	0.4
56.82254	0.4
57.03441	0.6
59.01373	1.1
69.55091	0.4
70.90417	0.8
71.01389	1.2
75.68982	0.4
76.77554	0.3
78.77029	0.4
79.95744	0.8
80.96532	1.3
85.02975	0.5
96.96021	1.6
101.02438	0.5
111.08125	0.6
113.02425	0.5
120.02181	0.4
133.02928	0.4
134.03716	3.0
135.04114	0.4
136.05309	1.1
137.06105	0.6
137.09753	0.6
143.99118	0.4
149.04610	0.5
152.98645	0.7
158.33430	0.4
161.02469	0.7
162.03223	100.0
163.03563	6.1
177.05562	90.1
177.08852	0.6
178.05927	4.7
199.09697	3.1
251.12875	1.9
310.29382	0.4
331.04816	4.3
331.08539	2.6
332.05484	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.4
57.03452	22.3
59.01381	55.2
69.03455	9.0
71.01384	40.7
71.05022	5.5
71.51536	3.1
71.51992	3.9
72.00881	4.8
72.99299	7.3
73.02943	27.8
74.02470	4.2
74.25093	3.1
79.95737	9.2
80.96528	13.2
81.03472	4.1
82.02979	9.4
82.24147	3.1
83.01391	7.3
83.05038	13.5
85.02455	7.5
85.02948	87.0
87.00867	22.0
87.04501	22.0
88.76111	3.4
89.02462	20.1
93.03456	8.0
95.01401	4.8
95.05004	3.4
96.96019	29.8
97.06581	7.9
99.00884	4.9
99.04543	5.3
101.02445	19.7
101.06074	3.8
104.03539	43.0
107.05002	8.8
109.02964	3.2
109.06599	4.4
111.04529	11.8
111.08118	3.8
113.02448	23.8
119.03438	4.2
121.06557	3.7
124.01628	9.0
125.02458	7.8
125.06065	7.8
125.09692	6.9
135.08224	4.2
136.05275	6.2
137.06088	9.2
137.09717	12.0
141.01917	3.6
148.68874	3.8
149.04517	6.2
151.00421	4.1
151.08862	4.2
153.05536	5.6
153.09233	5.0
159.15169	3.2
161.04546	6.8
162.03191	11.5
163.07640	3.8
165.09258	5.1
169.12236	4.6
171.10313	16.4
177.05533	6.9
177.09259	18.1
181.08701	3.4
183.10220	14.6
185.11839	3.9
187.13426	3.7
197.11768	16.0
199.09752	60.6
200.10078	5.3
209.11774	9.3
221.11830	7.3
223.13475	4.6
225.11345	9.2
227.12971	6.3
232.81303	3.4
233.99873	3.3
241.10843	5.3
241.14406	5.1
251.12871	100.0
252.13174	12.1
252.15880	3.2
266.83569	3.6
269.13870	20.1
287.10321	17.8
289.12848	4.3
313.12973	49.9
314.13226	4.9
331.04800	4.5
331.08521	53.0
331.14392	18.4
331.17801	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	331.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
57.03433	2.0
59.01377	18.7
65.68546	0.9
69.03465	1.6
69.61883	4.5
71.01009	1.4
71.01382	19.7
71.46721	0.8
71.79137	0.9
72.99312	1.4
73.02940	6.5
79.95728	1.8
80.96516	22.9
82.96084	0.9
83.01376	2.5
83.05015	2.1
85.02944	8.2
87.00890	5.3
87.04499	0.9
87.54053	0.8
89.02440	10.0
94.91949	0.7
96.96011	1.4
97.02977	0.8
99.00872	1.7
101.02439	14.1
103.04002	1.1
113.02442	6.9
119.03489	3.4
124.98790	3.0
125.02512	1.1
131.03406	1.8
137.09731	10.0
140.01164	0.9
143.03445	1.1
147.97968	0.8
149.04553	12.0
155.03461	2.0
155.10776	100.0
156.03078	1.0
156.11102	6.3
159.02963	1.7
161.04541	9.5
193.05051	1.1
199.09750	91.5
200.10132	6.6
225.09178	1.7
232.91837	0.8
234.67236	0.8
237.25687	0.9
249.68417	0.9
251.09256	3.4
269.12823	1.1
269.26892	0.8
287.09290	2.1
331.04791	2.9
331.08377	2.7
331.13800	9.5
331.17603	9.8
332.14096	1.1
332.17960	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79457	0.9
54.27194	0.8
55.01872	1.9
57.03455	7.5
58.00591	2.4
59.01375	4.7
59.88838	1.0
60.56586	0.8
69.03444	2.5
69.26155	4.6
69.26581	3.2
71.01372	3.0
71.05013	6.7
73.02953	7.5
80.96543	1.1
81.03436	2.4
83.05050	1.9
85.02956	8.0
87.04527	3.2
97.06553	2.6
99.04530	3.1
100.62117	0.8
101.06091	1.6
111.04569	1.2
119.08649	7.4
121.06601	2.4
125.09729	42.7
126.10047	1.9
131.03479	2.0
135.08163	1.8
137.09724	24.2
149.04565	1.3
153.09222	1.4
155.10750	4.3
169.08675	1.3
181.08658	1.5
199.09756	100.0
200.10042	5.1
287.10315	2.0
331.13971	29.1
331.17871	1.8
332.14368	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	329.2332
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
50.63020	0.5
57.03432	1.1
58.00589	0.9
59.01360	2.4
64.21803	0.5
70.20277	1.3
70.20685	1.0
71.01374	0.8
71.05018	0.6
72.99288	0.6
80.96511	0.6
81.09201	0.5
93.03433	0.5
97.06575	0.9
99.08156	10.5
106.40739	0.5
117.03435	0.6
123.00802	0.7
127.07654	1.7
127.11267	0.8
129.09213	7.2
130.09494	0.8
139.11295	2.1
151.00328	0.7
167.10909	0.8
169.12379	2.8
171.04474	0.7
171.10318	3.2
178.99867	2.3
181.12373	3.2
183.13893	1.5
191.05666	0.7
191.07257	0.7
193.12317	0.9
194.70451	0.5
197.11864	2.4
199.04059	0.6
199.13402	21.2
200.13716	1.0
201.11331	1.4
211.13388	12.0
227.03276	0.6
227.12926	0.8
229.14438	2.6
256.65002	0.5
271.02454	1.8
275.20096	0.8
285.18616	0.6
293.21130	2.9
296.03235	0.7
299.01938	6.5
311.22189	2.6
313.03558	0.8
314.04254	6.6
315.04495	0.7
329.06567	3.7
329.17841	5.0
329.23303	100.0
330.06931	0.8
330.17776	0.8
330.23672	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	329.2696
Annotation	CHEBI:79291
Peak:m/z	Relative Intensity
52.53398	0.4
56.90108	0.5
57.03450	0.8
59.01379	100.0
60.01704	0.8
79.13410	0.5
85.02950	17.9
86.55098	0.4
142.36620	0.5
172.32965	0.4
225.22299	4.1
225.48662	0.5
271.02618	0.7
299.02097	1.1
308.17914	0.5
308.21497	0.5
311.25827	1.3
314.04254	1.7
329.26920	35.7
330.27390	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	330.1194
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
59.01381	22.2
61.98818	1.7
64.16576	1.5
68.99558	9.6
70.29087	6.7
71.01385	10.3
72.99315	2.4
76.26914	1.7
83.01405	2.4
87.00870	3.5
92.95970	2.0
98.20641	2.3
101.02448	4.0
107.03711	3.0
108.02156	6.1
108.04571	6.2
109.02431	2.8
112.98582	12.2
115.00417	3.4
117.00495	2.2
121.05296	5.1
122.03737	2.4
122.06130	31.8
124.04915	2.4
125.02416	3.0
126.98884	5.3
130.08723	1.8
131.85291	1.7
134.04727	17.1
136.07652	2.7
138.05585	12.1
146.97057	3.8
150.05603	68.5
151.00369	4.7
151.04008	5.3
151.05940	3.1
152.03764	1.9
152.07130	2.1
159.01508	8.1
160.01595	5.8
161.01315	3.0
161.04514	2.5
162.94797	2.5
166.05101	16.7
167.03477	6.5
168.03792	5.3
168.06659	100.0
168.99927	3.7
169.05217	1.7
169.06987	4.6
170.99699	1.8
172.01384	2.3
172.13177	1.9
173.01352	2.2
174.99144	1.8
187.00980	6.7
188.00999	6.7
188.04128	1.8
188.97121	2.9
189.00803	2.4
196.99445	2.0
198.99194	2.7
212.40796	1.9
231.03539	1.9
232.03622	3.6
270.06631	5.3
312.10953	5.2
330.05246	2.4
331.02170	13.8
331.06696	6.4
331.16641	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.6
57.93821	0.5
58.14624	0.5
59.01381	0.7
64.12958	0.6
68.69302	0.5
69.03452	2.6
71.05019	57.0
72.05371	1.2
83.05035	1.7
96.96010	1.8
98.19937	1.2
124.99921	0.5
125.09719	1.1
126.05932	0.5
131.03517	1.5
131.19472	0.5
133.02948	2.0
137.09689	0.9
153.12849	33.1
154.13156	2.2
158.16582	0.6
178.99870	1.1
187.03989	1.3
187.60170	0.5
197.11823	100.0
198.12140	6.3
215.03534	1.5
259.62207	0.6
289.17313	0.5
315.01581	2.9
329.03275	0.8
329.10590	1.7
329.16147	4.3
330.03809	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	329.2333
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
50.06616	0.3
52.09407	0.2
52.23330	0.2
54.29596	0.3
57.03444	1.0
58.84453	0.2
61.99097	0.2
69.03449	0.5
71.05027	0.7
71.29369	0.5
82.18832	0.2
83.05033	1.2
85.02956	0.6
97.06573	0.6
97.57849	0.2
99.08160	5.8
114.29674	0.3
123.78244	0.3
125.09749	1.5
127.11296	3.6
129.09235	0.8
139.11288	2.3
151.00325	0.3
155.10803	0.4
155.14384	0.9
165.09964	0.2
165.12798	0.6
165.35306	0.3
167.10690	0.5
167.14418	1.6
171.04555	0.3
171.10265	6.8
172.10684	0.4
178.99828	0.7
181.12360	0.3
183.13905	6.6
184.14265	0.4
185.11710	0.4
193.12299	2.5
199.13335	0.4
209.11749	1.3
211.13382	35.6
212.13760	2.4
229.14432	19.9
230.14799	1.4
271.02533	0.4
293.21164	0.8
299.01978	1.7
311.22144	0.7
314.04398	1.9
329.06631	1.1
329.23306	100.0
330.23657	11.8
330.27655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.0
57.89476	1.0
59.01378	64.8
59.88458	1.0
60.01690	1.5
69.65697	8.0
71.05013	3.8
73.02927	2.6
83.05025	4.1
95.01340	1.1
99.08116	2.7
117.03447	5.5
118.03839	1.2
125.09730	2.7
127.11291	7.4
129.07111	2.6
129.09178	1.9
137.09686	1.3
139.07556	1.2
139.11267	4.2
145.02913	3.8
146.03772	1.4
147.04456	1.3
149.06050	9.4
149.99049	1.2
153.09230	1.9
155.10770	2.1
159.04497	3.8
160.05228	2.3
161.06099	4.7
171.04541	4.8
171.10277	24.7
172.05310	5.9
172.10716	1.4
173.04637	2.4
173.06065	31.3
173.43303	1.1
174.06816	5.7
175.07744	2.7
177.09178	2.8
178.99867	8.6
183.10262	1.7
185.02400	2.3
186.06886	1.4
187.07596	5.4
189.05507	2.1
197.11713	1.8
199.03996	5.2
199.07358	1.4
199.13408	1.7
200.04800	4.3
201.05569	3.8
201.11305	17.2
204.07878	3.5
211.13376	3.0
213.09019	1.9
214.06400	2.2
215.07140	3.2
215.10675	1.5
217.08675	1.4
218.09471	15.7
219.09836	2.0
229.14476	1.5
233.11807	19.2
234.12170	2.1
243.03020	2.1
245.11856	1.7
250.08244	1.7
255.13951	1.9
269.21164	5.0
271.02527	8.1
271.13370	23.2
272.14120	36.9
273.14868	7.9
285.18542	2.3
286.10733	2.3
287.18991	1.4
287.22250	28.1
288.22543	2.8
288.25693	1.3
293.21063	1.6
296.03049	1.8
299.01974	25.0
299.09464	1.7
299.12885	35.1
300.02249	2.7
300.13239	5.4
300.16443	1.5
311.16599	1.6
314.04266	25.8
314.15228	29.2
314.18835	2.4
315.04523	2.3
315.15582	3.2
329.06741	15.5
329.17514	79.9
329.23264	100.0
330.06873	1.5
330.17941	9.3
330.23727	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	329.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.0
59.01378	5.5
59.74370	0.9
63.11870	0.8
70.05673	4.1
70.40055	0.9
71.01372	2.9
71.05019	52.3
73.02954	2.0
76.00999	1.0
80.96519	8.0
83.05023	2.0
85.02940	1.6
87.00831	1.0
89.02421	1.4
93.03459	1.3
96.96004	4.2
98.20016	1.4
101.02419	2.6
103.33337	1.1
109.02898	1.1
113.02451	2.2
121.02958	11.7
122.03705	2.8
123.04510	1.3
124.01748	1.4
125.09723	1.2
131.03516	1.6
131.05020	1.2
136.01698	1.2
136.05310	1.6
137.02446	1.5
137.06039	1.7
137.09773	1.1
143.05032	1.8
146.03702	1.2
147.04509	7.2
149.02420	3.9
150.03235	10.9
151.03954	1.2
153.09180	4.3
153.12837	32.6
154.13203	1.6
158.03714	8.6
159.04518	29.4
160.05302	60.6
161.06079	26.1
162.06389	1.3
163.04015	9.4
164.04778	8.0
167.03506	1.2
173.06097	6.9
175.07635	43.6
176.04767	1.4
176.07944	2.3
177.05563	10.5
178.06345	16.0
192.07877	1.6
193.08688	4.8
197.08133	4.3
197.11827	100.0
198.12080	5.3
201.15443	1.2
207.28444	1.1
225.11169	1.1
261.04764	1.2
269.08078	2.5
299.09186	1.7
314.11584	3.9
329.13910	69.6
330.14096	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	329.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.4
69.03461	2.5
69.26521	7.3
71.05021	58.9
72.05369	1.5
78.48026	1.3
79.95725	1.5
80.96505	3.2
83.05019	3.1
85.02989	0.9
87.27996	0.9
96.96010	1.8
125.09711	2.3
131.03487	2.0
137.09630	1.0
139.11288	2.4
149.04506	2.1
153.09244	5.9
153.12845	37.5
154.13181	3.3
156.11511	0.8
179.10472	0.7
183.10229	1.6
197.08159	2.3
197.11824	100.0
198.12170	9.5
199.13416	1.3
217.03299	0.9
229.01695	7.9
243.12427	6.0
244.12663	1.0
262.01486	1.0
329.06885	0.9
329.10574	21.4
329.16025	2.6
330.10931	2.3
330.67255	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00397	0.3
57.03484	0.4
59.01371	1.2
67.01878	0.5
69.03463	2.6
71.01359	0.4
71.05018	59.0
72.05358	1.2
73.02940	0.8
79.95749	0.8
83.05016	2.1
94.33193	0.4
96.96016	1.1
123.00890	1.1
125.09736	1.5
131.03479	1.3
133.02979	3.5
137.09717	0.6
151.00363	1.2
153.12843	34.7
154.13194	2.0
160.05261	0.4
178.99864	1.1
187.04063	1.9
197.11819	100.0
198.12158	6.8
201.01947	0.7
215.03497	2.6
229.01717	0.9
243.02982	0.8
287.02023	0.7
295.38440	0.5
312.02591	0.6
314.04401	0.4
315.01416	4.9
329.02887	0.9
329.10626	2.8
329.16113	3.6
330.03796	5.3
330.16583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48113	0.6
57.03457	1.8
59.01373	6.0
61.71903	0.7
71.01380	3.3
71.05022	12.4
72.13660	0.6
73.02943	1.8
79.95728	1.4
80.96516	13.0
80.96967	1.1
83.01402	0.7
85.02982	1.8
87.00883	1.5
89.02428	1.0
93.03459	1.5
96.96007	5.4
101.02460	2.2
103.78660	0.7
108.46189	0.6
109.02966	0.8
109.06596	0.7
111.00903	1.2
111.04549	0.7
113.02461	1.1
114.43723	0.6
115.05542	1.1
119.05011	0.6
121.02960	14.9
122.03767	4.6
123.00901	2.5
123.04533	2.0
124.01657	3.0
131.03493	0.8
131.05026	2.5
134.03700	1.0
135.04472	1.4
136.05298	2.8
137.02444	2.3
137.06024	1.6
143.05017	2.9
145.03015	1.3
145.06557	0.9
146.03719	1.3
147.04510	12.2
149.02449	5.1
149.04509	0.7
149.06076	1.5
150.03214	15.3
151.03847	0.9
153.05606	1.4
153.09230	3.1
153.12862	8.1
158.03728	13.3
159.03461	0.4
159.04512	45.3
160.05296	100.0
161.06081	42.2
162.06427	2.3
163.04008	15.6
164.04796	14.8
168.04250	1.2
173.06079	11.5
174.06668	1.3
175.07635	74.6
176.04849	1.4
176.07977	4.4
177.05565	19.2
178.06345	21.2
179.06946	0.8
183.10291	1.2
185.11673	0.8
191.03629	0.7
191.07156	1.6
192.07927	3.6
193.08713	8.7
197.08153	3.5
197.11826	21.2
197.13556	1.3
198.12189	2.1
217.91191	0.6
225.11400	1.4
243.12367	1.8
269.08194	2.2
299.09375	1.2
299.12619	1.3
314.11710	4.5
315.11926	0.8
329.13922	98.2
330.14255	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	329.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01471	0.7
57.03440	1.5
59.01376	4.7
59.51104	0.7
62.22903	0.7
65.03966	1.7
67.01881	1.4
68.99805	0.9
69.03448	3.4
69.28980	5.8
71.01367	0.9
71.05040	0.6
79.05530	100.0
80.02669	2.0
80.05869	2.9
81.03436	3.7
83.05023	12.0
85.02948	2.1
91.05569	1.6
93.03449	7.2
95.01371	0.8
95.05027	20.7
97.02956	4.8
97.06595	6.1
99.04518	95.5
100.04858	2.5
100.68926	0.7
103.69261	0.6
105.03458	3.2
105.07110	1.4
106.04252	2.3
107.05028	27.4
108.02167	5.5
108.05352	1.8
109.02940	1.0
109.06594	9.4
111.01902	0.6
117.03458	2.0
117.07167	0.8
119.04993	3.4
120.05785	2.9
121.02957	1.8
121.06596	13.1
122.03756	3.3
123.00884	0.9
123.03619	1.5
123.04523	31.4
123.08145	2.9
125.06141	0.7
129.07124	0.8
131.05037	1.7
133.02936	1.5
133.06598	12.3
133.10249	0.9
134.03767	1.4
135.04567	3.2
135.08163	30.6
136.05273	1.1
136.08481	1.3
137.06058	1.1
137.09700	2.4
143.08693	3.9
144.05855	1.5
145.06609	2.5
147.04507	1.4
147.08168	8.3
148.05309	0.8
148.08531	0.8
149.06073	13.5
150.06410	0.9
151.00356	1.6
151.04013	6.3
151.07646	13.1
152.04761	0.6
152.07977	1.2
157.06593	2.1
157.10214	3.2
159.04492	1.0
159.08156	8.9
160.05305	1.5
161.06104	3.1
161.09708	5.8
162.06834	0.7
163.07681	2.0
167.08672	0.7
169.06570	2.6
170.07333	2.6
171.04510	2.2
171.08115	2.6
171.10297	0.8
173.06041	2.8
173.09666	3.8
174.06818	1.4
175.07657	4.2
175.11296	5.0
176.11534	0.7
177.05623	0.7
178.99837	4.1
183.08188	2.2
183.13785	0.8
185.09706	32.7
186.10042	2.4
187.03996	1.1
187.07625	2.6
188.08430	1.9
189.09227	0.9
199.04039	1.3
200.04799	1.5
201.09161	3.9
203.07112	3.3
203.10768	30.6
204.11073	2.2
211.13359	1.8
215.07085	1.1
229.08661	3.3
229.14366	1.1
239.14372	1.1
241.12427	1.1
241.15967	2.5
243.02951	0.9
247.09746	5.9
247.13284	1.1
257.15445	1.0
261.07751	1.7
265.50208	0.8
267.13916	1.6
271.02402	3.2
285.15039	2.3
299.01956	11.6
300.02274	1.1
304.15549	0.7
311.12885	3.2
314.04309	10.6
315.04651	1.1
329.02963	1.1
329.06732	7.4
329.09988	0.6
329.10767	0.7
329.13895	11.3
329.17587	12.0
329.23383	8.8
330.14307	0.9
330.17865	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	329.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.7
64.29529	1.0
67.39550	0.9
69.03445	1.5
70.43376	0.9
70.46169	2.7
70.58078	0.8
73.02948	3.0
78.46856	1.0
80.96523	6.5
81.35654	1.0
131.03479	1.7
135.08138	2.8
135.67743	1.1
143.65704	0.9
149.04546	1.4
153.09213	100.0
154.09538	5.2
197.08185	50.0
198.08577	2.2
239.47906	1.0
283.72632	0.9
301.65704	1.0
329.12430	19.1
329.15939	1.0
330.12534	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	329.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
55.36425	0.6
57.03450	0.9
59.01380	40.4
68.94143	0.5
69.34000	3.3
69.34406	1.1
71.01380	6.9
73.02958	2.8
79.95746	2.3
80.96523	4.6
81.03426	0.7
83.01374	1.8
85.02951	5.1
87.00884	1.6
89.02460	0.9
93.03478	0.9
95.01365	0.7
95.95284	0.6
96.96010	79.0
101.02448	5.9
102.05630	0.9
113.02436	2.8
116.52505	0.5
122.97588	0.8
123.04576	0.7
130.08734	0.6
138.97009	0.8
149.02434	2.5
150.97195	0.7
152.01180	1.3
159.04494	1.0
160.05289	1.6
161.04558	3.0
161.05888	0.9
167.03503	8.4
175.07628	1.4
209.11778	1.5
241.00208	3.6
269.10254	1.9
313.77896	0.6
326.62000	0.6
329.09091	100.0
330.09390	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	329.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
57.03431	3.9
59.01382	15.6
65.01034	1.0
69.03458	1.4
69.57066	7.1
71.01383	10.6
71.05005	3.1
72.99309	1.2
73.02952	6.9
74.02458	1.8
78.85470	1.3
79.95731	4.1
80.96516	36.7
83.01395	2.2
83.05029	1.2
85.02930	5.9
87.00864	2.0
87.04516	2.3
89.02452	2.8
93.03462	2.1
95.01389	1.6
96.96018	2.6
99.00877	1.4
101.02441	8.9
113.02425	5.5
113.45599	1.1
116.31313	1.2
121.02950	8.5
123.00897	1.4
131.03471	3.2
133.06589	1.7
135.08165	3.6
137.09731	1.6
146.03767	1.3
147.04533	3.7
149.02400	3.1
149.04573	5.6
149.06110	1.2
150.03201	2.8
153.09213	100.0
154.09581	5.1
158.03688	3.2
159.04520	11.0
160.05307	22.1
161.04539	3.0
161.06053	8.2
161.94809	1.2
162.03276	1.1
163.03967	4.1
164.04733	4.1
167.10805	1.4
173.06062	2.6
175.07611	17.0
176.08035	1.1
177.05583	5.5
178.06319	4.2
185.11807	5.0
193.08614	2.0
197.08189	64.9
197.11830	3.7
198.08536	4.5
227.13004	1.4
245.32489	1.3
257.12015	1.4
259.79736	1.1
311.11441	1.9
314.07971	6.0
328.97800	1.1
329.10443	7.9
329.14066	16.2
329.19388	1.3
330.20090	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.0
59.01387	4.0
67.01883	0.7
71.05029	1.6
79.05551	0.8
83.05020	1.3
84.07928	0.6
88.86236	0.7
89.28480	0.7
91.67945	0.6
93.03413	0.7
95.05036	5.3
106.94753	0.7
107.05030	1.6
111.00861	3.7
117.03460	1.0
120.05786	0.7
121.06606	0.9
125.02488	1.0
133.06595	4.2
135.08173	9.4
140.14090	0.7
147.08125	0.8
149.06055	1.6
149.09692	1.9
156.93469	0.7
161.09648	0.9
161.13310	0.7
171.04538	0.6
171.10265	1.2
172.05276	1.0
173.06076	2.4
175.47174	0.7
178.06403	4.4
178.99846	2.5
185.13371	2.3
187.03900	1.1
198.06960	0.8
199.07626	2.5
201.05603	1.6
201.12839	2.9
201.14716	0.6
203.14375	12.0
204.14732	1.5
211.13405	1.8
215.07072	1.0
229.08647	1.7
229.12326	0.8
230.09322	0.8
239.10770	0.9
243.03020	1.1
247.13382	100.0
248.13707	8.9
257.11746	3.2
271.02478	2.6
272.14120	0.9
299.01935	4.8
300.13748	1.1
311.13864	1.0
314.04361	5.8
329.07047	3.5
329.13718	8.8
329.17578	14.3
329.23495	6.6
330.14090	1.0
330.17947	2.1
334.28745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.81182	0.3
51.74600	0.4
59.01389	0.7
60.67741	0.4
65.76994	0.4
66.32646	0.3
67.01874	0.4
69.03448	0.4
71.01353	0.4
71.27852	0.8
72.81294	0.3
72.99288	0.5
77.64130	0.4
80.96452	0.4
85.02953	0.6
87.00869	0.5
90.80429	0.4
93.03454	0.4
95.76190	0.4
97.02933	0.6
98.95584	1.2
112.26845	0.4
121.03027	0.4
123.00873	1.1
123.04458	0.5
124.01661	1.2
125.02424	1.6
127.56824	0.4
135.00902	0.8
151.00359	3.7
152.01155	90.4
153.01511	3.4
160.05331	0.5
166.02750	1.6
167.03496	100.0
168.03828	4.6
184.92490	0.4
289.84183	0.3
295.85181	0.4
329.08829	18.9
330.09174	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68915	0.4
51.81040	0.3
52.55165	0.3
55.01866	0.6
57.03442	0.9
59.01380	10.7
69.33286	0.9
69.33682	2.7
70.74299	0.3
71.01381	5.9
72.99321	0.8
73.02950	2.1
79.95726	2.7
80.96517	2.8
83.01384	1.6
85.02957	4.5
87.00872	1.1
89.02454	1.2
93.03428	0.4
95.01398	0.5
95.95271	0.8
96.96010	75.3
98.20616	0.5
99.00883	1.0
101.02439	5.0
106.06668	0.6
113.02425	2.3
122.97576	0.9
123.04543	0.5
123.08247	0.4
125.02404	0.5
138.97086	1.1
149.02448	1.6
149.09651	0.5
150.03230	0.4
150.05605	0.4
150.97070	1.5
152.01167	2.3
152.56245	0.4
153.09160	0.4
158.03717	0.6
159.03059	0.4
159.04465	1.0
160.05284	1.9
161.04568	1.2
161.06059	0.9
164.04756	0.6
167.03490	9.7
168.03873	0.4
171.29836	0.4
173.06062	0.4
175.07631	1.6
178.06259	0.6
180.98119	1.1
183.65582	0.4
190.50745	0.4
197.08192	0.8
198.07698	0.6
198.99146	0.4
209.11844	1.0
241.00224	3.4
329.09088	100.0
330.09433	7.2
330.13162	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.106
Annotation	13-Sulfo-dihydroreynosin
Peak:m/z	Relative Intensity
50.29002	0.2
50.33799	0.2
53.92100	0.3
57.69404	0.2
59.01382	1.6
71.01355	0.3
73.02947	0.3
73.14916	0.2
79.95726	1.0
80.96516	100.0
81.96481	0.3
82.02985	0.4
82.96117	0.4
85.02943	0.3
87.00858	0.3
87.03063	0.3
96.96017	0.7
98.20689	0.5
101.02431	0.5
101.06071	0.4
106.06641	0.5
108.04515	0.2
129.51979	0.2
132.04573	1.3
133.05334	0.3
134.06119	2.2
136.04024	0.2
149.02458	0.4
149.04567	0.3
153.09222	0.9
154.56380	0.2
160.04051	1.3
160.05197	0.4
161.04816	2.0
162.05605	4.7
168.62904	0.2
175.07735	0.3
176.03526	0.3
181.12302	0.3
193.03786	2.7
197.08260	0.5
197.11862	0.3
214.08594	0.3
241.06049	0.4
242.11800	0.3
257.09302	0.7
269.09238	0.4
271.57834	0.3
285.12378	5.0
286.12833	0.4
298.73480	0.3
311.10397	0.6
329.10965	9.8
330.11292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69761	24.9
70.68049	61.9
87.00864	55.3
89.02415	26.9
101.02413	43.8
141.46503	24.1
145.01404	100.0
149.04547	26.8
159.22476	30.1
211.00443	26.1
299.58902	28.8
319.05954	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65100	1.5
57.03444	1.7
59.01379	46.1
64.15655	1.3
66.18879	1.2
69.84421	3.1
69.84822	5.2
71.01392	3.3
71.05024	25.8
73.02953	5.5
74.11465	1.4
80.96515	40.3
87.00870	6.5
89.02433	6.9
96.95973	2.3
101.02476	1.9
131.03401	1.4
135.08150	4.3
139.11278	15.6
149.04553	42.3
150.04854	1.7
153.09216	100.0
153.12820	14.0
154.09550	4.6
181.12309	8.7
183.10246	18.4
184.10512	1.4
197.08197	38.8
197.11827	41.4
198.08542	2.0
198.12183	3.2
199.13339	5.3
215.00174	1.4
225.11311	8.2
243.12357	47.0
244.12727	3.8
288.59506	1.5
311.14862	1.6
329.11044	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	329.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56751	0.7
59.81932	0.8
65.00264	2.2
69.11292	0.7
69.67039	1.7
69.67446	2.6
96.95927	3.2
110.00010	2.6
117.63747	0.9
133.02957	17.4
133.34442	0.8
135.00786	2.2
136.98720	1.7
137.99490	0.8
153.09128	1.5
159.04443	1.0
163.00351	3.9
164.98232	3.8
165.98976	3.2
171.04448	2.5
175.03978	1.2
183.04462	1.3
183.41270	0.7
194.64502	0.8
199.03993	20.8
200.04288	1.2
201.01842	3.4
215.03526	1.7
227.03487	6.8
229.01482	0.9
243.02998	7.9
255.02992	3.9
255.05415	0.7
271.02441	28.6
272.02866	1.6
284.03241	0.9
285.03940	1.4
299.01947	59.9
300.02396	4.1
313.03577	3.4
314.04309	100.0
315.04630	9.8
329.06665	77.2
329.10150	2.9
330.07056	6.3
339.97632	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0667
Annotation	3,5,7-Trihydroxy-6,8-dimethoxyflavone
Peak:m/z	Relative Intensity
53.61859	0.2
57.27536	0.2
65.00331	0.7
67.01878	1.2
69.77735	1.3
75.85196	0.2
79.01903	0.3
79.99053	0.5
87.00827	0.3
95.01407	1.5
96.99318	0.7
111.98048	0.2
117.03455	17.6
118.03860	0.8
119.05000	0.3
123.00887	5.5
124.98823	1.4
136.98738	0.3
137.99585	0.4
143.05008	1.2
145.02972	1.0
145.06598	0.5
145.95039	0.2
151.00363	11.8
151.97543	2.4
152.00903	0.3
155.05003	0.5
159.04549	1.0
164.98337	0.3
166.99892	1.2
167.05081	0.4
168.05827	0.3
169.02991	0.5
171.04517	11.5
171.10275	0.2
172.04880	0.6
176.01125	0.5
178.99855	42.8
180.00204	2.3
180.05785	0.3
180.97804	2.4
181.98563	0.2
183.04555	0.9
184.05188	0.3
185.02428	3.3
186.02953	0.2
187.04001	5.1
188.04414	0.3
189.05568	0.6
194.99420	1.3
195.04482	0.5
196.05318	0.3
197.02467	0.5
198.03242	0.7
199.04007	7.1
200.04326	0.5
209.02457	0.5
211.03999	0.8
212.04633	0.5
215.03477	1.6
217.05023	0.4
223.03949	0.5
224.04880	0.4
225.01921	0.7
226.02591	0.4
227.03497	3.7
228.03925	0.4
239.03534	0.6
240.04240	2.5
241.04637	0.3
243.02982	8.5
244.03297	0.6
251.03313	0.3
255.03009	2.0
267.03143	0.4
268.03629	1.4
269.04404	0.3
271.02466	28.8
272.02789	2.7
285.04068	0.6
296.03290	5.6
297.03531	0.6
299.01956	98.4
300.02295	9.4
313.03503	2.4
314.04309	100.0
315.04651	9.0
329.06653	53.4
330.06989	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	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01871	0.5
57.03453	0.5
59.01369	2.7
70.98796	1.0
71.01376	8.1
72.99289	0.7
73.02954	2.5
83.01411	0.6
83.04988	0.4
85.02925	3.1
85.81575	0.4
87.00869	1.0
89.02444	1.2
93.03476	0.6
95.01369	0.5
95.05898	0.4
99.00896	0.9
101.02435	5.0
108.02174	3.2
109.02946	2.5
113.02453	3.5
115.29703	0.5
117.00484	0.5
121.02956	1.9
121.14772	0.4
122.03738	100.0
123.04629	9.1
124.04823	0.6
125.02473	0.7
126.98890	1.0
135.04546	1.1
137.02437	1.5
137.03510	0.6
137.06056	0.9
143.03571	0.6
147.04497	1.5
149.06114	0.6
150.05551	0.7
152.01147	2.0
156.99892	0.5
159.02968	1.4
161.04541	8.1
162.03128	0.5
165.05576	6.0
166.02786	0.8
167.03474	4.4
168.99881	0.9
170.97899	0.7
171.01598	0.5
177.05547	1.8
183.01543	0.5
198.99326	0.6
224.98854	0.7
231.03596	0.9
285.09766	1.6
329.08832	4.9
352.76013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.59690	0.5
59.01374	0.9
69.43991	1.1
69.44405	2.3
71.01395	1.2
79.02213	0.4
85.02936	0.6
86.65540	0.4
96.84599	0.4
101.02448	0.6
105.21590	0.4
108.02174	59.6
109.02518	1.8
114.53931	0.5
115.05466	0.5
123.03629	1.1
123.04529	22.5
124.04875	0.8
131.31296	0.4
133.61407	0.4
137.02399	0.5
152.01152	41.0
153.01477	1.0
167.03494	100.0
168.03845	3.9
209.04521	0.6
329.08908	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.1
57.03450	1.8
59.01379	11.7
60.04541	1.4
64.96229	0.8
70.47334	0.9
71.01385	8.6
71.05020	5.5
71.51564	1.4
72.04572	1.4
72.99296	1.1
73.02947	7.6
79.95750	2.4
80.96514	16.8
83.05042	1.6
84.02145	1.3
84.08208	1.3
85.02957	3.6
85.06593	21.8
86.02473	7.4
86.06114	1.9
87.00867	2.0
88.04010	1.1
93.03469	2.0
95.05028	8.0
96.04550	4.6
96.96021	2.6
99.00883	49.4
101.02445	2.4
109.06583	3.8
111.04529	49.0
111.08139	4.6
112.04058	1.5
112.04865	1.2
113.02458	3.5
113.06089	28.2
114.05611	14.5
114.06365	1.0
114.09259	7.7
116.07172	3.6
121.02969	4.0
121.06660	0.9
122.09785	2.2
123.04504	1.0
125.06104	1.1
125.09745	1.0
126.09266	1.1
127.07638	8.8
129.05576	17.5
130.05884	1.2
130.08725	2.0
131.03525	0.9
131.07141	18.8
131.08063	1.8
138.00211	3.2
140.10849	4.0
142.08728	1.4
149.02446	33.1
149.04387	1.4
152.07175	2.4
152.10823	1.8
153.05569	1.4
153.09253	3.2
154.08751	5.7
156.10303	13.2
158.08105	1.3
161.04588	2.2
164.04807	6.1
164.06035	1.0
165.99693	17.5
166.99988	1.2
167.07224	2.4
170.08156	1.2
170.11868	1.6
171.06635	16.5
172.09811	19.4
174.11359	100.0
175.11687	4.2
176.04034	1.3
178.12331	4.4
186.10068	1.3
187.05013	1.1
188.62422	1.1
196.09790	3.9
197.08266	2.2
197.11850	1.9
208.13460	2.5
214.10857	24.6
215.11127	1.0
228.15987	1.4
240.12524	1.6
248.09998	1.3
252.09839	1.0
283.09717	1.0
314.11624	9.4
328.05463	2.0
328.09213	1.1
328.17670	29.3
329.06995	2.8
329.10617	3.4
329.13931	10.5
329.17319	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	42.5
60.01705	0.9
61.98820	1.9
66.73087	0.5
73.98083	0.5
74.99367	0.7
78.73550	0.5
82.31516	0.6
82.95406	0.7
87.00874	0.9
98.19953	1.5
102.77629	0.6
104.96987	0.6
115.02486	1.7
117.00443	6.2
121.30982	0.5
125.00905	1.1
126.98875	1.4
133.83789	0.6
143.02000	3.2
157.03563	1.1
159.01497	63.7
160.01614	4.4
168.99939	4.7
170.97849	6.8
171.01443	0.6
171.97961	0.7
184.84169	0.5
187.00983	100.0
188.00644	10.3
201.02553	15.0
202.02699	1.0
209.07576	0.5
232.98289	1.3
240.77594	0.6
241.00615	1.4
259.01483	0.6
267.20407	0.6
274.99387	3.6
287.01056	2.4
307.42703	0.6
311.01138	1.3
314.04694	0.8
328.96979	0.8
329.02188	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	328.0589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70327	0.2
53.62000	0.2
65.00308	0.8
66.01091	0.2
69.92920	1.0
79.95728	0.2
79.99010	0.6
80.96519	0.3
93.03448	0.9
95.01402	0.4
96.99302	0.3
101.04503	0.2
108.02181	0.2
116.02697	0.5
117.03461	21.7
118.03788	2.5
119.05054	0.3
124.98802	0.5
130.04240	0.6
142.04312	0.3
145.02986	1.5
147.00862	1.8
148.98807	1.3
149.99596	3.3
151.31084	0.2
151.97597	0.3
154.04207	0.4
158.03734	6.5
159.04109	0.4
161.02469	2.2
163.00391	0.3
165.01935	0.2
166.99844	0.4
167.04942	0.3
169.02985	0.4
170.03748	1.7
171.04485	0.6
171.10313	0.2
173.02408	0.9
174.03177	0.8
175.00365	4.5
176.00769	0.3
176.98291	0.7
177.99066	13.8
178.99496	0.8
179.96989	2.1
180.97816	1.4
182.03676	0.3
183.04501	0.3
185.02428	7.3
186.03215	26.2
187.03564	1.6
192.00648	0.3
193.01405	18.1
194.01781	1.1
194.99333	1.3
195.04460	0.5
197.02390	0.7
198.03169	1.2
207.02962	0.9
208.03351	1.3
211.03955	0.3
211.13422	0.3
213.01936	3.0
214.02693	6.0
215.03075	0.6
223.04025	0.5
225.01863	0.8
226.02690	0.9
227.03297	0.2
239.03551	0.6
241.01453	2.1
241.05128	0.3
242.02159	7.5
243.02533	0.8
251.67877	0.2
253.20772	0.2
267.02930	4.2
268.03323	0.5
269.00949	1.5
270.01639	20.7
271.02106	1.6
282.05222	0.3
284.03268	0.5
285.03943	3.1
295.02438	5.8
296.02939	0.6
298.01166	44.8
299.01581	4.9
309.04086	0.3
312.02847	0.4
313.03516	100.0
314.03897	10.6
327.05042	0.6
328.05841	22.5
328.22125	1.0
329.06268	3.1
329.17575	0.6
329.23401	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27040	0.5
59.01398	1.3
71.05015	0.6
71.52551	0.8
79.95736	1.6
80.96517	2.4
96.96018	6.0
108.08195	100.0
109.08523	3.7
117.27043	0.5
120.13646	0.6
124.04017	0.9
124.79651	0.5
149.04553	0.7
152.07172	49.9
153.07455	2.5
153.12840	0.7
192.62151	0.6
196.06142	91.5
197.06537	3.9
197.11787	1.7
229.01738	7.3
230.02518	1.5
243.03368	0.7
262.01450	2.2
269.08182	1.3
270.94153	0.5
287.18674	1.3
287.69193	0.6
298.07831	1.0
314.11517	1.2
328.10281	20.1
329.06946	1.1
329.10587	26.8
329.13843	1.8
340.21750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
54.81092	0.6
57.03445	0.7
69.37894	1.1
69.38297	4.6
80.66702	0.7
85.02943	2.0
97.06562	3.4
127.11277	1.3
160.12137	0.6
165.12701	0.9
171.10269	5.3
172.10701	0.7
177.12871	0.9
183.13901	3.2
185.11807	1.3
193.12341	1.2
209.11809	1.6
211.13391	15.9
212.13693	1.2
221.11794	2.8
229.14417	11.7
230.14748	1.2
239.12909	2.2
291.19745	1.9
327.21747	100.0
328.22089	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.1
57.03576	1.5
59.01219	16.9
59.01559	13.1
59.91704	0.6
65.79578	0.6
79.98930	0.8
84.91238	0.7
85.02765	2.0
97.06403	1.0
115.07565	0.8
117.03271	2.0
137.09537	0.8
148.98679	0.9
157.06419	2.5
165.12569	0.8
167.10594	0.9
167.14186	1.3
170.03549	2.2
171.10281	6.7
173.06099	4.1
177.16293	1.1
181.15785	1.4
183.13724	1.8
185.02216	2.1
185.05801	1.9
186.03041	1.9
195.17412	0.9
198.03215	6.7
199.13295	0.8
203.07053	1.2
207.02859	1.1
207.17268	0.7
211.13345	3.3
213.01825	0.9
213.05487	1.3
214.02644	1.7
221.18961	2.8
226.02667	3.9
227.12679	2.0
228.31444	0.7
229.05008	1.4
229.07269	0.7
229.14456	7.4
230.14572	0.9
239.20020	2.7
241.01291	2.5
241.05089	4.6
255.02800	0.8
267.19632	19.1
268.20059	1.3
269.00784	2.9
284.03281	1.8
285.20703	100.0
286.21085	11.2
298.01181	2.8
309.20578	0.9
312.02762	6.5
312.17365	1.1
312.99884	0.5
313.03506	17.2
327.05084	2.1
327.21854	24.8
328.05875	13.4
328.09668	1.1
328.22165	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53220	0.8
59.01377	32.7
68.67952	0.8
69.28107	2.0
69.28521	5.7
71.05025	5.2
73.48886	0.8
85.02990	1.0
85.06593	2.7
103.44561	0.8
167.14398	3.8
171.10207	1.6
181.15939	0.9
223.20622	1.1
239.20175	2.8
267.19632	19.4
268.19910	1.5
285.20703	100.0
286.21024	10.1
286.69583	1.0
300.76935	1.1
313.03198	0.9
327.21780	13.6
328.21964	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0585
Annotation	3',5'-di-O-methyltricetin
Peak:m/z	Relative Intensity
51.68406	0.3
54.36686	0.3
57.52633	0.4
59.01375	0.6
62.16436	0.4
65.00335	0.6
68.99831	0.6
71.52298	0.4
79.95736	0.5
79.99047	1.0
80.96543	0.4
80.99847	0.7
91.01865	0.5
95.01385	0.7
96.99301	0.8
108.02157	1.9
108.71641	0.3
115.05548	0.4
116.02676	0.6
117.03456	7.2
118.03824	0.5
121.02946	1.5
124.98828	1.2
127.05540	1.1
129.03441	0.7
130.04199	1.1
131.05042	0.6
132.02156	2.3
133.02919	0.5
136.98793	0.7
141.03470	1.7
141.07150	0.5
142.04243	1.9
143.05011	1.3
145.02960	4.0
146.03745	0.4
147.00911	0.5
147.04538	0.5
149.99554	0.8
152.98297	0.6
154.04253	1.4
155.05038	2.3
156.05818	1.8
157.02975	0.7
157.06586	14.1
158.03734	4.4
158.06931	1.1
161.02390	0.9
167.05063	1.1
169.02936	3.6
170.03729	22.0
171.04340	2.3
173.02560	2.5
173.06065	34.2
174.03076	0.6
174.06403	2.8
177.99106	2.5
178.99776	0.4
179.96945	0.5
180.97791	2.4
182.03795	0.7
184.01498	0.4
184.05301	3.9
185.02451	5.0
185.06071	11.7
186.03215	16.0
186.06433	0.8
187.03659	1.1
193.01424	3.1
194.99359	1.2
197.02391	3.6
197.06038	0.4
198.03214	36.4
199.03798	4.9
201.01915	5.6
201.03638	0.7
201.05540	3.1
203.07150	9.3
204.07483	0.5
210.03197	0.5
211.03970	0.4
211.13361	0.5
213.01973	5.3
213.05563	6.7
214.02702	15.6
214.05835	0.9
215.03261	1.7
216.04242	0.4
225.01947	1.5
225.05505	0.6
226.02704	26.6
227.03139	1.8
229.01422	1.6
229.05026	7.2
230.05481	0.4
231.04570	0.4
231.06490	1.8
241.01208	1.4
241.05057	32.1
242.02202	3.7
242.05258	2.4
243.02553	0.4
253.01263	0.5
254.02161	2.9
257.00900	1.2
257.04520	1.9
267.03101	0.5
269.01132	0.5
269.04480	1.2
270.01660	6.7
271.02304	0.8
282.01669	0.4
284.03235	0.6
285.00397	2.1
285.03934	3.3
286.04086	0.5
298.01187	14.6
299.01788	2.7
300.02713	1.3
310.04633	0.4
311.01877	0.4
312.02652	0.6
313.03506	100.0
314.03955	10.5
327.05042	0.4
327.21527	0.6
328.02429	3.6
328.05859	79.5
328.22095	1.6
329.02676	0.5
329.06262	8.6
329.17596	0.4
329.22995	0.6
351.35153	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.2
57.03435	2.3
59.01377	36.2
69.54384	2.3
69.54788	4.1
71.01021	1.0
71.01382	18.4
72.99304	5.1
73.02934	1.6
78.95885	1.3
79.95718	1.7
80.03468	0.9
80.96515	1.7
83.01363	2.3
83.04978	1.3
85.02946	8.7
87.00843	3.5
89.02438	14.4
93.03510	1.0
95.01367	2.1
95.05010	1.0
96.95995	6.0
96.96904	1.6
97.06544	1.2
98.20536	1.8
101.02441	13.2
103.05505	2.7
108.02189	1.0
109.02943	7.8
109.06557	1.1
113.02454	6.9
116.67781	0.9
119.03502	8.2
119.04993	6.4
121.02895	3.0
123.04473	1.9
125.06040	1.7
146.03712	1.6
147.04518	100.0
148.04837	4.8
149.02379	5.1
153.05571	0.9
161.04402	1.1
165.05577	13.6
166.05919	1.0
175.03966	3.4
176.04659	1.7
191.01898	1.2
191.07080	2.4
209.02878	1.3
251.06985	2.7
255.12491	1.2
266.05560	1.5
267.06555	2.3
279.06540	3.1
294.08820	2.8
297.07651	1.3
311.79077	0.9
312.10098	6.8
327.10779	57.0
328.11148	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1084
Annotation	Androsin
Peak:m/z	Relative Intensity
57.03421	1.4
58.00583	1.4
58.74837	0.9
59.01379	39.1
69.75703	2.3
69.76100	1.7
70.14185	0.8
71.01382	20.3
72.99306	4.0
73.02929	1.7
74.57275	0.7
83.01370	2.1
83.56115	1.0
85.02937	5.1
87.00864	2.1
89.02444	18.3
93.03424	1.5
95.01378	1.4
96.96015	10.1
101.01910	1.0
101.02441	11.0
103.05508	3.3
106.87278	0.8
109.02948	6.3
113.02454	6.4
119.03510	8.0
119.04971	4.9
121.02893	2.4
121.06533	1.0
123.04471	1.8
123.08166	0.8
125.06004	1.4
146.03696	1.2
147.04520	100.0
148.04828	4.9
149.02428	6.7
161.06021	1.1
164.04720	2.1
165.04422	1.2
165.05573	14.9
175.03882	2.7
176.04707	1.8
187.13353	1.2
190.06345	1.1
191.07085	2.0
211.53760	0.9
211.65907	0.9
251.07095	2.0
255.12073	1.2
265.11127	1.7
267.06464	1.3
279.06506	2.2
294.08878	1.7
297.07535	1.1
303.81918	0.8
312.09924	6.5
327.10791	58.7
328.11057	5.6
330.07285	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.217
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
50.38725	0.6
59.01380	1.1
69.50809	3.4
69.51225	1.3
71.66126	0.6
79.95747	0.6
98.19959	0.6
149.09711	91.1
150.10056	5.1
163.11281	100.0
164.11598	7.1
170.00574	0.8
183.01198	30.6
184.01872	3.5
197.02763	1.3
199.47490	0.6
208.33879	0.7
216.00984	2.0
325.18369	55.8
325.21793	90.2
326.18695	5.2
326.22131	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.4
59.01377	4.2
69.03461	3.6
69.92077	1.3
71.01375	9.6
71.50197	2.4
71.67335	1.3
72.99310	32.7
73.02958	1.9
75.00879	5.1
81.03456	32.6
85.02950	6.7
87.00872	23.5
89.02415	1.7
96.96011	1.5
97.02947	1.6
99.00883	25.9
99.04496	1.4
102.94418	2.3
111.00893	1.3
113.02457	8.5
115.04037	2.1
117.01949	2.7
121.02956	12.4
125.02445	84.1
126.02782	3.6
129.01953	1.4
131.03497	3.7
142.97578	2.0
143.03468	12.1
161.04532	5.2
169.01445	2.6
205.03525	100.0
206.03831	4.1
228.97552	9.9
327.07590	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	327.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	1.8
59.01366	6.2
61.36164	1.5
67.67847	1.3
69.03439	3.4
69.77853	2.9
69.78265	5.8
71.01375	8.6
71.69464	1.4
72.99307	33.7
75.00873	7.3
79.95737	2.6
80.96503	1.6
81.03456	33.4
82.03790	1.6
85.02954	9.2
87.00862	4.4
89.02425	1.8
94.78218	1.6
96.96012	44.3
97.02934	3.2
99.00881	20.8
101.02416	2.4
113.02438	10.6
117.01929	4.5
119.05007	3.0
121.02949	14.5
123.04523	2.8
125.02444	88.9
126.02752	3.5
131.03470	3.4
131.67886	1.7
143.03488	10.1
147.04482	3.2
149.02473	2.2
159.02959	1.6
161.04524	4.4
163.03940	2.0
164.04689	2.3
165.01865	4.6
165.05556	4.4
177.04005	1.6
205.03522	100.0
206.03833	4.4
327.07489	47.1
327.10944	2.9
328.07867	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	325.2019
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
53.24960	3.3
55.06114	3.7
57.03448	4.2
58.00575	6.9
59.01164	3.5
59.01381	43.0
69.03434	3.8
69.27599	3.7
71.01366	14.0
71.53316	5.2
83.05033	5.3
93.03447	4.6
94.36246	3.7
97.06572	3.9
103.64005	4.6
109.06597	7.9
111.08163	57.5
113.06078	27.2
123.08173	21.5
125.09676	14.8
127.11271	11.9
132.00777	3.6
133.06596	5.3
134.20926	3.8
135.08150	14.2
137.09705	6.8
139.11278	4.0
151.11267	5.1
153.09181	10.1
155.10774	12.4
164.84224	4.1
165.12846	12.7
167.10738	8.4
167.36403	3.8
169.12283	6.6
171.10255	91.9
183.01222	7.8
183.10210	13.4
183.13899	36.0
185.11836	63.9
195.10182	5.2
197.10510	3.5
197.11874	33.7
199.13359	3.9
200.08264	4.3
201.11320	80.8
209.11729	4.7
211.13383	42.0
213.11334	28.6
215.12885	5.4
225.14934	8.5
227.12860	20.5
228.07898	7.7
237.14963	5.1
245.19038	9.8
263.20160	37.0
264.20465	4.2
281.21115	13.6
289.18201	20.4
307.19058	5.1
325.14774	7.3
325.20203	100.0
326.20474	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18055	1.9
55.01883	1.6
57.03443	7.0
59.01372	9.5
64.87859	1.8
65.03942	1.9
67.01859	1.5
69.03461	3.6
71.01380	3.5
71.05022	4.7
71.52169	2.8
73.46054	1.4
79.05537	2.7
80.02679	3.2
81.03436	5.9
83.05032	13.2
84.02170	6.6
85.06561	2.6
93.03439	2.1
95.05019	10.9
97.02946	3.0
97.06602	12.1
106.04214	3.2
109.06599	5.4
111.04520	6.7
113.06059	2.8
115.07652	3.6
121.06560	3.6
123.04543	1.9
123.08163	4.7
124.05256	2.4
125.09710	6.8
127.07654	8.2
135.08150	6.7
137.09723	3.7
151.11333	2.2
153.09274	3.9
155.10822	2.2
163.11282	6.7
165.12883	5.5
171.10266	29.8
176.22345	1.5
178.98140	2.5
181.12320	4.5
185.11845	12.3
191.14467	2.5
193.12308	4.6
194.00394	9.7
197.11830	7.4
199.13382	4.9
205.16057	2.9
207.10216	3.3
209.02774	11.2
209.11819	100.0
210.12129	7.4
210.97389	1.8
211.13362	8.3
221.11909	2.7
223.13387	2.4
225.11475	2.2
227.12923	11.3
231.14149	1.7
237.14978	4.5
238.12132	2.1
245.19089	6.7
249.14998	17.8
253.22585	1.8
267.15970	3.2
271.16858	1.9
289.18076	16.3
290.18442	2.0
307.19144	39.3
308.19406	6.0
325.11136	4.8
325.20200	94.9
326.20462	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	7.0
57.56738	1.3
59.01385	8.9
59.96654	1.4
62.48309	1.3
69.03461	3.0
69.72096	8.6
71.01369	4.2
71.05016	7.5
73.02923	1.5
76.05769	1.3
80.02682	2.2
83.05022	4.4
84.02149	1.6
85.06606	2.1
86.14220	1.5
87.04543	3.3
93.03461	2.0
94.30099	1.5
95.05030	3.3
97.02950	3.9
97.06599	6.4
107.04979	1.7
109.06593	27.2
111.08143	1.4
113.06090	2.3
121.33051	1.4
125.06093	2.7
125.09707	1.5
127.07664	3.3
137.02435	3.1
151.11266	3.2
153.09273	1.8
153.12784	2.1
158.06590	1.4
167.10800	2.1
169.12308	6.3
181.12340	6.8
183.13879	3.5
193.12335	5.5
194.00420	3.3
197.11809	45.8
198.12076	3.2
199.13347	4.6
201.11346	6.9
209.02763	4.0
209.11841	2.3
211.13387	41.7
212.13747	3.2
219.13969	2.2
227.12939	2.9
235.13383	5.9
237.14894	21.1
249.14841	3.0
289.18088	14.6
307.19144	7.0
325.11121	3.1
325.20181	100.0
326.20490	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01724	1.1
65.82827	0.6
68.42371	0.6
71.28869	0.7
98.61944	0.6
109.27216	0.6
247.55130	0.7
280.86185	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04354	1.3
57.03441	3.8
59.01378	7.0
69.03448	1.9
69.18577	11.1
69.18999	3.9
71.01382	5.4
75.25578	1.4
79.05525	1.4
80.02650	2.4
81.03452	1.7
83.05016	7.0
84.02151	5.6
88.98809	2.7
95.04990	2.4
97.06603	7.1
97.12432	1.5
99.08176	4.3
109.06591	4.8
111.08159	2.7
113.34494	1.4
115.07629	1.8
118.45795	1.8
123.08159	1.4
125.09749	2.3
127.07640	16.6
135.08229	1.4
137.09770	1.8
139.07639	2.5
153.09203	1.7
155.10799	2.3
157.08817	1.6
163.11298	6.0
165.12851	4.6
169.38632	1.6
171.10283	4.7
178.98065	3.6
181.12279	2.0
185.11819	14.9
191.10815	2.3
194.00404	10.8
195.01210	1.7
195.10249	2.0
197.11807	24.8
198.12198	1.6
209.02773	13.2
209.11807	100.0
210.12172	7.7
211.13361	4.4
227.12924	2.8
238.12051	7.8
239.16478	2.4
245.19054	3.2
253.18292	1.8
256.12997	2.5
279.19443	1.6
281.20883	1.8
289.18036	9.6
307.19135	74.6
308.19434	9.1
325.11087	3.9
325.20184	55.6
326.20572	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	325.2019
Annotation	Plakortenone
Peak:m/z	Relative Intensity
59.01380	19.4
59.75480	1.3
63.96220	2.1
67.85779	1.2
67.98312	1.4
69.03471	1.9
69.26071	1.2
71.52168	1.4
97.06575	1.5
111.33504	1.3
116.65549	1.5
120.16110	1.4
121.02948	3.4
122.03728	3.9
127.32621	1.2
136.05296	2.0
156.92815	1.2
164.77170	1.3
165.12859	2.7
167.14438	4.8
168.04295	2.8
175.93971	1.3
179.48419	1.4
183.01256	5.2
193.15956	3.4
201.97525	1.4
207.17523	4.2
209.11804	1.7
231.17691	1.6
233.15518	1.4
234.77579	1.5
249.18608	33.3
250.18945	3.5
275.16513	26.1
276.16919	2.7
281.21198	8.6
287.58994	1.3
293.17581	100.0
294.17874	7.7
307.19177	5.7
325.20395	64.9
325.23828	3.0
326.20627	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02251	1.5
51.24420	1.5
57.03454	8.6
58.00579	2.1
59.01377	10.4
69.03456	4.6
71.01373	3.4
71.05029	8.4
71.29697	3.4
73.61234	1.6
75.31536	1.4
80.02673	2.6
83.05010	6.8
85.06582	3.9
87.04488	3.2
90.17486	1.5
91.05505	2.9
92.28847	1.5
95.05042	3.2
97.02956	7.4
97.06590	8.6
98.97388	1.9
105.04417	1.7
107.05045	2.1
109.06591	35.6
113.06015	2.1
123.08116	1.7
125.06089	3.0
127.07606	2.2
151.11267	2.4
153.12846	2.6
167.14397	1.6
169.12347	10.2
171.10175	4.3
179.10645	1.7
181.12334	5.1
183.13899	2.1
193.12357	2.9
194.00363	1.9
197.11827	72.4
198.12175	4.1
199.13371	6.3
201.14427	1.7
209.02788	3.7
209.11725	2.9
211.13388	34.7
212.13771	3.2
213.11327	1.8
225.15132	2.2
227.12869	4.3
235.13385	4.8
237.14882	7.4
245.11821	1.8
249.15012	2.8
289.18152	6.2
307.19153	6.0
325.20175	100.0
326.20514	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	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20654	0.7
59.01378	100.0
60.01694	1.0
67.67657	0.7
70.97911	1.8
70.98249	1.3
71.01386	7.6
73.02937	1.7
83.01363	1.1
85.02934	3.1
89.02440	4.7
92.17638	1.0
95.01395	1.2
101.02413	7.0
101.06082	2.0
113.02435	3.8
119.03510	2.4
161.04533	5.9
263.11346	2.4
323.13507	7.1
327.37482	0.9
333.40338	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31443	0.8
55.01903	1.1
57.03448	1.2
58.00580	2.9
59.01379	100.0
70.22395	1.9
71.01382	47.9
72.99313	2.8
73.02953	1.1
83.01396	1.7
85.02952	9.1
87.00885	1.9
89.02445	50.8
95.01395	4.8
101.02443	29.8
113.02450	18.7
117.95898	1.0
119.03505	25.5
131.03494	1.1
143.03487	2.8
149.04492	1.1
161.04521	2.4
161.08174	1.7
179.05617	3.6
216.76016	1.0
230.12007	1.0
323.13464	85.7
324.13779	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	323.1866
Annotation	Hynapene A
Peak:m/z	Relative Intensity
52.17517	3.8
57.03446	17.2
59.01374	43.6
69.85256	19.1
71.01389	13.8
71.05014	26.0
72.20117	4.3
81.03445	11.9
83.01382	12.9
83.05011	21.3
84.02151	6.0
85.02953	6.6
89.82484	5.0
95.05021	40.2
97.02955	4.5
97.06615	27.8
99.04530	4.7
101.06095	4.9
109.06596	13.6
113.02532	6.7
113.06087	28.0
123.04531	7.4
123.08174	10.4
125.09737	29.3
135.08145	16.9
149.09784	8.2
151.07643	4.8
151.11240	5.6
163.11287	13.6
165.09190	5.2
165.12846	10.9
169.08723	4.9
171.10262	6.9
175.07549	4.4
177.12885	5.5
181.12312	8.4
185.11839	29.9
189.12933	6.0
191.10793	11.0
203.10719	6.0
203.14465	8.2
209.11807	100.0
210.12132	9.8
211.13326	6.8
221.11708	6.8
223.13496	8.3
237.14958	62.5
238.15329	6.3
243.17487	8.7
247.13437	6.4
249.14928	6.8
250.82904	5.6
261.18463	4.4
265.14389	24.2
275.28970	5.0
287.16553	29.6
305.17523	40.8
309.36707	5.0
323.15237	5.6
323.18646	68.8
324.19186	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	323.2226
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
57.03418	0.7
59.01371	4.4
69.24814	6.6
71.01371	0.9
81.21018	0.7
84.77811	0.7
98.20612	1.3
105.88248	0.7
113.02506	0.9
118.43279	0.6
123.04547	1.1
137.06081	1.1
139.11301	0.9
139.18549	0.7
151.07594	0.9
156.04219	0.9
160.54755	0.7
165.09158	2.3
165.12831	1.9
167.14386	0.7
175.07727	0.9
190.09911	1.5
193.15965	1.2
226.12064	0.7
235.15263	6.4
247.17084	0.8
261.22269	4.2
266.11517	0.9
291.16013	1.8
305.21216	100.0
306.21533	11.6
323.18445	4.9
323.22147	20.6
323.25507	0.8
324.19153	0.9
324.22653	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	323.2226
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
57.03440	2.0
59.01385	10.7
69.03427	1.3
70.27814	3.0
70.28204	3.2
71.01374	2.9
71.05009	5.6
83.05045	3.6
89.02437	2.8
89.38107	1.5
98.23739	1.4
99.77109	1.3
109.06610	3.5
109.44553	1.3
119.08659	1.7
121.10219	6.6
123.08123	2.1
125.09723	4.9
137.09723	9.3
149.09666	1.7
166.59013	1.3
171.10283	12.9
173.38358	1.4
185.11765	7.7
192.01016	1.5
196.63660	1.5
209.11781	2.3
217.15875	2.3
233.19221	1.4
247.80774	1.5
273.18661	2.7
291.19647	49.0
292.20041	6.3
305.21249	18.9
306.21643	2.5
323.09857	1.8
323.22287	100.0
324.22672	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	325.0929
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
59.01390	0.9
65.59249	0.4
71.01361	0.5
71.02518	0.8
71.02871	0.3
93.03475	0.4
109.87109	0.3
110.45695	0.3
119.05032	100.0
120.05362	4.9
163.04015	69.3
164.04333	3.3
262.84543	0.4
307.05923	0.4
325.09711	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05054	0.9
59.01380	39.2
69.30144	6.5
77.42557	0.8
85.02969	0.7
87.10856	0.8
95.95544	0.7
96.66786	0.8
96.95982	0.9
101.09310	0.7
106.06626	100.0
121.06584	3.3
149.99539	0.7
150.05606	42.8
191.05629	2.3
194.04581	60.1
218.04523	0.8
326.08798	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	321.2069
Annotation	(plusmn)8-GINGEROL
Peak:m/z	Relative Intensity
51.02094	0.3
57.01474	0.3
59.01374	2.6
66.68045	0.3
71.52408	0.4
82.59827	0.3
92.88895	0.3
112.64454	0.3
213.28709	0.3
217.00713	0.3
275.20145	4.1
276.20444	0.5
321.20676	100.0
322.17252	0.7
322.21033	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	321.2071
Annotation	Rapanone
Peak:m/z	Relative Intensity
58.03379	0.7
59.01380	100.0
60.01718	1.2
78.40759	0.7
90.91741	0.7
91.69270	0.7
98.20648	2.8
117.52850	0.7
150.54727	0.6
160.44269	0.7
193.35127	0.7
229.62785	1.1
238.26096	0.7
252.57115	0.9
321.20636	58.0
322.20959	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2069
Annotation	(plusmn)8-GINGEROL
Peak:m/z	Relative Intensity
59.01385	3.2
70.04613	2.2
79.95728	1.3
80.82336	0.5
85.28223	0.4
92.27681	0.5
114.01357	0.5
195.45805	0.6
199.06854	0.6
248.68176	0.7
278.21173	0.7
321.20532	100.0
321.23465	11.6
322.20901	11.1
322.23865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2433
Annotation	Austroinulin
Peak:m/z	Relative Intensity
57.46027	0.6
69.63398	1.4
69.63815	2.9
81.07397	0.6
96.96016	9.2
105.16594	0.6
137.16518	0.7
149.68748	0.6
207.41402	0.7
227.88072	0.6
237.22188	1.6
251.23833	0.8
263.57111	0.6
277.25348	100.0
278.25690	12.6
279.23294	17.6
280.23660	1.9
321.20990	7.1
321.24338	60.1
322.21246	1.1
322.24695	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	321.2797
Annotation	propyl linoleate
Peak:m/z	Relative Intensity
50.17181	0.6
52.68171	0.8
59.01403	0.7
60.76384	0.8
71.27914	1.8
80.96497	0.8
81.03453	90.5
82.03786	2.0
83.05023	45.0
84.05347	1.1
95.33835	0.8
96.96016	9.5
123.77811	1.0
136.28905	0.8
141.82426	0.7
166.09518	0.8
239.23792	3.6
321.21042	9.7
321.27963	100.0
322.21500	1.1
322.28308	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10842	0.9
54.46629	0.9
59.01379	100.0
60.01720	1.5
61.74955	0.9
67.87811	1.1
70.29925	2.0
70.30315	2.7
71.01385	1.3
72.70629	0.9
78.69395	1.0
83.01421	1.1
93.03455	32.1
101.02390	1.3
113.02434	2.3
137.02441	44.0
138.02753	1.3
179.03487	1.4
181.03372	1.0
208.03702	1.2
264.92294	1.0
266.55435	1.1
279.10736	2.3
281.06598	3.4
319.78928	1.0
323.18503	2.4
343.53497	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40865	0.5
57.03447	3.9
59.01379	10.0
59.92283	0.4
60.34505	0.4
69.03444	1.6
69.58087	1.8
69.58493	0.9
70.98544	0.5
71.01376	2.3
73.02579	0.6
73.02937	3.1
79.95715	0.8
80.96510	2.1
82.96072	0.8
85.02966	2.1
85.06576	2.4
85.82848	0.4
85.87059	0.4
87.04510	4.2
89.02435	1.0
95.95292	0.4
96.89645	0.4
96.96023	4.2
98.95592	0.7
99.08148	1.7
101.02440	1.3
101.06081	3.4
111.08134	0.9
113.06056	0.8
120.99635	0.5
129.09218	6.8
131.03445	1.3
139.58537	0.4
143.10799	2.8
149.04576	4.0
161.04550	0.6
171.10287	8.4
172.10565	0.6
187.09741	3.5
189.11322	100.0
190.11659	5.5
279.14490	0.5
299.51093	0.5
321.06076	0.7
321.09494	1.2
321.15552	14.0
322.15973	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	321.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
57.04415	0.4
59.01379	4.7
69.31389	1.0
69.31808	2.5
71.01388	0.5
91.11546	0.5
96.96014	0.5
98.21809	0.3
105.60711	0.4
179.87366	0.4
184.63461	0.4
192.89848	0.5
203.14450	0.5
247.13411	2.6
321.20676	100.0
322.21017	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	321.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
59.01379	5.3
69.03454	0.9
71.01391	2.8
71.05018	1.0
71.51178	0.4
71.51646	0.5
72.99314	0.8
73.02942	2.1
79.95744	2.1
80.96527	0.7
85.02956	1.2
87.00883	0.5
89.02425	2.2
96.96013	100.0
100.08872	0.4
101.02448	1.5
102.74639	0.4
104.58764	0.4
106.08092	0.3
113.02419	0.7
114.02853	0.3
115.07650	0.4
116.48685	0.4
119.03493	0.8
125.02454	1.4
134.03763	0.4
137.02324	0.4
141.09215	1.1
146.40349	0.4
159.10304	2.2
167.60095	0.4
175.03996	0.3
186.53819	0.3
189.11331	5.7
193.05028	0.4
205.03484	1.9
241.14470	1.9
321.10120	75.8
321.15543	8.3
322.10376	5.5
322.16113	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1342
Annotation	Tetraneurin A
Peak:m/z	Relative Intensity
55.80585	0.9
56.86456	0.9
57.03432	1.1
59.01378	100.0
69.53654	6.8
71.44397	0.8
85.02958	0.9
96.96021	1.2
98.20613	1.4
122.03750	1.3
124.54860	0.8
149.06091	1.7
162.06795	1.2
174.12753	1.1
191.10878	1.3
249.14925	1.3
261.11267	1.1
277.14496	2.7
321.13403	1.5
321.17017	1.1
321.20535	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	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.7
58.00595	2.7
58.67926	1.8
59.01380	100.0
60.99329	2.4
67.01912	2.7
69.29370	16.4
71.01382	60.6
72.99304	4.9
73.02929	3.0
78.95908	4.2
79.95720	3.5
80.96529	2.8
83.01391	2.9
85.02964	12.7
87.00869	8.4
89.02445	68.6
92.71711	1.9
93.03451	21.4
95.01420	1.8
96.96014	9.4
98.20742	2.5
99.00842	3.0
101.02445	30.4
111.04511	3.0
113.02450	23.2
117.89647	2.0
119.03503	28.1
123.04531	4.6
126.73312	2.1
141.09215	42.1
142.09560	2.7
143.03485	2.7
147.04442	3.2
161.04550	4.7
167.93336	2.2
171.00609	2.5
173.04596	12.7
175.25534	2.0
179.05577	5.3
184.37021	2.1
189.11243	4.0
191.10820	2.4
233.04311	2.0
247.02321	4.0
321.09863	12.6
321.13589	6.7
321.20718	6.6
342.92545	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	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.7
58.00595	2.7
58.67926	1.8
59.01380	100.0
60.99329	2.4
67.01912	2.7
69.29370	16.4
71.01382	60.6
72.99304	4.9
73.02929	3.0
78.95908	4.2
79.95720	3.5
80.96529	2.8
83.01391	2.9
85.02964	12.7
87.00869	8.4
89.02445	68.6
92.71711	1.9
93.03451	21.4
95.01420	1.8
96.96014	9.4
98.20742	2.5
99.00842	3.0
101.02445	30.4
111.04511	3.0
113.02450	23.2
117.89647	2.0
119.03503	28.1
123.04531	4.6
126.73312	2.1
141.09215	42.1
142.09560	2.7
143.03485	2.7
147.04442	3.2
161.04550	4.7
167.93336	2.2
171.00609	2.5
173.04596	12.7
175.25534	2.0
179.05577	5.3
184.37021	2.1
189.11243	4.0
191.10820	2.4
233.04311	2.0
247.02321	4.0
321.09863	12.6
321.13589	6.7
321.20718	6.6
342.92545	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	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
55.46309	0.8
58.00592	3.1
59.01379	93.5
60.01717	1.0
71.01380	52.2
72.99300	3.3
73.02947	1.7
79.95719	2.2
80.96521	2.4
83.01395	3.1
85.02943	9.8
85.06607	1.1
87.00858	1.9
89.02442	45.8
95.01392	3.4
96.96005	3.5
99.00906	1.1
101.02441	31.4
113.02442	18.9
113.09733	2.4
119.03495	24.5
131.03456	1.7
134.03754	1.3
141.09206	16.8
143.03490	2.1
146.55620	0.9
146.69902	0.9
149.04558	1.4
159.10245	5.7
161.04599	1.7
170.58372	1.1
179.05539	2.3
189.11302	7.7
193.05080	2.1
319.88705	1.1
321.09613	2.7
321.15543	100.0
322.15866	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	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01717	1.4
69.20020	9.5
71.01373	6.9
80.96510	1.4
89.02423	6.8
96.95999	3.1
100.98405	0.9
101.02437	3.4
105.20492	0.9
113.02431	2.8
119.03475	1.9
129.01894	2.1
136.07590	1.8
149.04517	1.1
149.79350	0.8
151.04047	1.1
165.28871	0.9
189.11426	1.2
321.06631	0.9
321.10159	1.5
321.15662	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	319.1914
Annotation	(plusmn)alpha-CMBHC
Peak:m/z	Relative Intensity
50.59725	0.4
59.01376	0.9
71.01356	0.4
71.52996	0.5
83.05014	0.5
94.49179	0.4
96.96023	0.6
101.02467	0.4
149.06075	0.6
149.09723	0.4
219.12953	0.5
220.04105	0.4
224.72981	0.4
260.17264	0.5
261.17712	1.8
289.18097	15.8
290.18387	1.7
319.19177	100.0
319.22748	20.4
320.13315	1.2
320.19507	12.1
320.23148	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	319.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48344	0.2
52.70877	0.2
56.71213	0.2
69.78032	0.5
69.78451	0.8
70.65546	0.2
98.19986	0.3
120.95745	0.2
319.22763	100.0
320.23102	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	319.2276
Annotation	19S-HETE
Peak:m/z	Relative Intensity
53.48591	0.4
56.27618	0.3
70.05131	0.3
70.42959	1.1
129.26768	0.3
131.61827	0.4
162.46048	0.3
319.22763	100.0
320.23114	9.7
330.84424	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69080	0.3
61.39265	0.2
70.82977	0.7
80.65823	0.2
80.81789	0.3
92.44736	0.3
92.67287	0.3
99.26017	0.2
252.28467	0.3
282.83145	0.3
319.22754	100.0
320.19388	0.5
320.23077	12.7
333.84210	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2276
Annotation	19S-HETE
Peak:m/z	Relative Intensity
59.01366	0.6
71.52779	0.4
141.99626	0.2
202.58800	0.2
206.02654	0.3
220.04257	0.5
289.63223	0.3
319.19086	18.7
319.22690	100.0
320.13254	3.4
320.19412	2.5
320.23029	11.4
326.67419	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0824
Annotation	2-O-L-ramnopyranosyl-4-Deoxy-alpha-L-threo-hex-4-enopyranosiduronoic acid
Peak:m/z	Relative Intensity
55.01859	1.1
57.03443	4.0
59.01374	7.5
69.03457	5.5
70.69759	1.3
70.70112	2.6
71.01374	15.3
72.99296	2.4
73.02948	13.1
77.32137	0.9
78.95882	2.7
82.94317	0.9
83.01381	2.2
85.02947	32.0
87.00871	100.0
88.01220	2.0
89.02430	3.3
95.01362	4.4
97.02349	1.7
97.02946	22.1
99.00877	1.1
103.04011	10.2
111.00839	1.2
113.02444	8.1
115.00342	14.0
127.07680	2.1
129.01926	2.5
133.01414	6.5
134.04750	1.1
138.33914	1.0
141.35535	0.9
149.04550	11.3
152.95905	4.1
157.01411	8.7
164.89514	2.8
175.02461	42.5
176.02814	1.0
189.07626	1.3
217.03491	17.8
246.89671	1.0
303.07230	3.4
321.08090	3.5
337.19528	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1396
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01871	1.3
58.00586	3.3
59.01381	73.5
67.31573	1.0
68.76159	0.9
69.57777	5.8
70.03333	1.0
71.01385	37.2
72.99317	3.1
73.02944	24.4
76.27046	1.0
79.95736	1.9
80.96502	1.9
83.01383	3.1
85.02957	8.0
87.04517	1.3
89.02442	34.4
95.01424	2.5
96.96018	3.2
97.06559	1.4
101.02442	18.0
113.02445	13.8
119.03500	15.0
129.05573	1.3
139.07657	18.3
141.09196	1.4
142.01254	1.2
143.03494	1.6
155.01393	1.1
157.01424	4.2
157.08727	6.6
160.42038	1.2
174.09805	1.4
187.09744	29.8
188.10126	1.2
189.11330	1.6
209.52637	1.0
319.08392	4.3
319.13983	100.0
320.14297	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	319.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	8.4
59.01366	1.0
60.80067	0.8
69.37633	4.6
69.38046	1.6
72.00915	5.2
82.06632	3.4
91.05529	14.9
103.05508	1.6
106.39548	0.8
112.07694	3.3
118.06622	4.0
126.09230	1.0
129.10341	80.5
130.10660	1.8
147.04512	28.8
148.04814	1.4
148.07558	0.8
153.10316	4.1
154.08740	15.2
164.07164	72.4
165.07494	2.9
171.11386	57.9
172.11736	2.7
216.13884	1.5
233.16577	40.2
234.16795	2.6
275.17645	7.2
277.15448	2.0
319.16595	100.0
320.16977	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	319.1396
Annotation	Octanoylglucuronide
Peak:m/z	Relative Intensity
56.42815	0.4
57.03437	2.5
59.01386	2.4
69.03439	1.4
71.01360	1.7
73.02920	0.7
85.02969	0.6
87.74059	0.4
89.02457	1.2
90.98589	1.3
96.95975	0.7
97.06586	7.9
98.06898	0.5
101.02429	0.9
113.02447	0.7
115.07621	0.6
123.08152	5.6
125.09719	75.4
126.10046	3.1
131.03497	1.0
142.24687	0.4
143.10780	1.3
161.04520	0.8
169.08646	2.1
187.09743	100.0
188.10066	5.1
223.16983	0.5
229.07346	0.4
308.35773	0.4
319.14041	14.2
319.17535	1.1
319.21222	3.8
320.14310	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20484	1.1
55.01865	4.0
55.80654	1.2
57.03445	8.3
58.00591	2.5
59.01379	100.0
67.52554	1.2
68.99819	3.9
69.03459	2.8
71.01382	38.6
71.05015	1.7
71.15201	1.1
71.51284	1.8
72.99308	3.2
73.02943	22.3
75.00854	2.0
79.95733	9.8
80.96512	11.4
83.01391	5.2
85.02941	15.0
87.00870	5.3
87.04507	12.1
89.02439	20.6
95.01408	3.3
95.05011	1.5
95.95271	1.3
96.96011	54.3
96.99313	1.7
99.00896	4.3
99.04497	1.6
101.02438	32.1
109.06547	1.1
113.02455	15.4
115.07677	1.6
118.06557	1.7
119.03464	6.0
120.99649	2.0
121.06459	1.1
123.08167	5.1
124.98791	2.5
125.02463	2.8
125.09722	4.5
126.07125	1.1
129.01920	3.3
131.03448	1.4
136.07596	1.4
139.07657	6.7
143.03496	2.3
143.07095	1.4
143.10793	1.3
145.03017	1.8
147.04477	1.8
149.04628	1.2
151.07590	1.2
157.01425	76.5
157.08701	2.0
158.01707	3.2
161.04550	11.9
175.03998	3.7
175.09746	1.7
177.09203	3.1
179.05644	1.7
187.07237	2.4
187.09746	33.9
195.13870	9.7
199.02441	7.9
205.03508	1.6
239.12883	5.1
257.13007	1.5
275.14816	1.3
277.12891	23.1
278.13358	1.6
301.03873	1.4
319.04776	14.5
319.08536	55.3
319.13873	32.5
319.22650	2.3
320.05310	1.8
320.08765	4.8
320.14218	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	319.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10614	0.7
51.56372	0.7
57.03449	12.9
59.01381	45.3
62.13083	0.6
69.03460	2.1
70.20970	1.9
71.01379	4.6
72.99313	2.5
73.02956	3.3
75.00900	0.9
79.95757	2.0
80.96515	1.8
81.03462	2.1
83.05020	2.4
85.02950	2.3
86.15500	0.8
87.00890	1.8
89.02456	6.4
93.03452	0.7
96.96010	100.0
97.02998	0.8
99.00867	2.2
99.38950	0.7
101.02434	3.1
103.04015	1.5
109.06560	2.3
113.02471	1.2
113.39539	0.8
115.04005	1.0
119.03479	1.2
120.99599	0.7
123.08164	9.6
124.04005	1.0
125.02448	5.8
125.06090	1.5
125.09685	2.2
127.04028	1.1
131.03447	0.9
134.06093	0.9
135.08110	2.4
138.35976	0.7
143.03468	1.4
143.07140	18.8
144.07478	0.7
149.04558	30.2
150.04973	1.3
151.11273	2.1
154.05064	1.4
157.01292	0.7
161.04552	0.7
164.07104	2.3
179.10678	1.1
187.04510	1.5
187.06107	25.4
187.09673	3.3
188.06377	1.4
195.13914	27.6
196.14224	1.6
205.03531	6.9
223.04564	3.3
239.12869	14.2
240.12952	1.2
319.08359	56.5
319.13858	3.2
320.08633	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	319.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10614	0.7
51.56372	0.7
57.03449	12.9
59.01381	45.3
62.13083	0.6
69.03460	2.1
70.20970	1.9
71.01379	4.6
72.99313	2.5
73.02956	3.3
75.00900	0.9
79.95757	2.0
80.96515	1.8
81.03462	2.1
83.05020	2.4
85.02950	2.3
86.15500	0.8
87.00890	1.8
89.02456	6.4
93.03452	0.7
96.96010	100.0
97.02998	0.8
99.00867	2.2
99.38950	0.7
101.02434	3.1
103.04015	1.5
109.06560	2.3
113.02471	1.2
113.39539	0.8
115.04005	1.0
119.03479	1.2
120.99599	0.7
123.08164	9.6
124.04005	1.0
125.02448	5.8
125.06090	1.5
125.09685	2.2
127.04028	1.1
131.03447	0.9
134.06093	0.9
135.08110	2.4
138.35976	0.7
143.03468	1.4
143.07140	18.8
144.07478	0.7
149.04558	30.2
150.04973	1.3
151.11273	2.1
154.05064	1.4
157.01292	0.7
161.04552	0.7
164.07104	2.3
179.10678	1.1
187.04510	1.5
187.06107	25.4
187.09673	3.3
188.06377	1.4
195.13914	27.6
196.14224	1.6
205.03531	6.9
223.04564	3.3
239.12869	14.2
240.12952	1.2
319.08359	56.5
319.13858	3.2
320.08633	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	319.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	11.0
57.14642	0.4
59.01348	0.5
59.54849	0.4
68.11299	0.4
68.73517	0.4
69.03431	0.6
71.28143	0.4
71.28468	0.7
77.05925	0.5
79.95749	1.1
83.04981	0.5
96.96008	100.0
108.17124	0.5
109.06588	2.1
110.06969	0.5
115.33628	0.4
123.08161	8.0
125.02394	0.5
125.09738	1.5
135.08134	2.1
135.59268	0.4
151.11243	2.4
163.32726	0.5
177.12854	0.7
187.09828	0.5
195.13889	24.4
196.14203	2.0
199.36958	0.5
205.03539	0.5
212.16579	0.4
213.32095	0.4
239.12877	14.5
240.13333	0.5
290.42230	0.5
311.11520	0.5
319.08539	53.1
320.08911	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	317.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42213	0.4
57.40577	0.4
59.01376	0.7
63.30819	0.5
69.29668	1.7
69.30095	2.3
80.11633	0.4
83.05046	2.7
94.27910	0.4
95.73060	0.4
98.19843	0.8
109.06589	0.9
110.61683	0.4
133.06621	0.6
139.07660	2.4
148.05270	1.1
149.09799	0.7
153.09242	2.8
160.05313	0.8
161.06090	1.5
162.06870	0.7
163.07736	0.6
164.08414	1.0
173.06036	2.3
174.06892	2.2
175.07626	2.1
175.11470	0.5
176.08394	0.6
177.09174	1.2
181.08673	0.7
186.06854	1.3
187.07558	1.1
188.08435	2.5
189.09192	3.1
189.12856	1.2
190.06325	0.7
190.09982	9.0
191.10735	0.8
197.09737	0.5
200.08478	0.5
201.09207	2.4
202.09958	6.8
203.07147	0.6
203.10793	4.5
214.09915	0.5
215.10805	3.6
216.11496	1.7
217.12329	24.8
218.12959	3.0
223.74005	0.5
228.11281	0.5
229.12369	1.8
230.13115	14.0
231.13718	2.4
243.13924	1.3
244.14650	4.2
245.15398	3.0
247.17032	1.2
248.14145	1.2
257.15506	0.6
258.16245	2.1
259.17017	93.9
260.17383	8.6
269.15530	0.5
269.19080	0.5
273.14960	1.9
285.18103	0.5
289.18182	0.7
291.16183	1.2
299.20114	8.2
300.20444	1.1
302.18842	3.9
317.17834	4.7
317.21182	100.0
318.18259	0.6
318.21515	11.8
331.18930	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06385	0.4
60.99294	0.7
71.28975	1.1
73.47791	0.5
287.20142	81.9
288.20483	8.7
317.21182	100.0
318.21469	12.4
331.19070	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0855
Annotation	N-Acetyl Sulfamethazine
Peak:m/z	Relative Intensity
55.45382	0.5
57.03447	9.9
58.19806	0.4
59.01378	0.7
61.67602	0.5
69.03443	0.5
69.41830	0.4
71.10256	0.9
78.68786	0.4
79.95743	1.5
86.72267	0.5
87.76241	0.4
91.69614	0.4
96.96011	100.0
109.06596	2.0
123.08156	8.5
125.09731	1.4
135.08176	2.8
151.11269	2.0
177.12845	0.6
179.10817	0.8
195.13893	25.3
196.14243	1.8
239.12891	14.0
240.13284	1.4
319.08542	58.7
320.08850	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	317.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62614	0.3
60.62005	0.4
69.18568	3.6
86.71660	0.3
97.15675	0.3
113.61509	0.3
153.82764	0.4
160.02309	0.4
252.99213	0.4
317.21173	100.0
318.21512	12.4
318.25281	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84520	0.4
70.95367	0.7
79.14880	0.3
93.46514	0.3
97.80733	0.3
128.72896	0.3
137.21243	0.3
146.46054	0.4
168.21698	0.3
222.61996	0.4
317.21179	100.0
318.21533	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2119
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
81.29483	0.4
87.73264	0.3
97.81110	0.3
98.20773	0.7
104.28901	0.4
127.16629	0.4
143.17323	0.3
168.22978	0.4
182.44615	0.3
229.32089	0.4
250.33885	0.4
292.99680	0.3
316.60199	0.3
317.21194	100.0
318.21548	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	317.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56758	0.4
116.49418	0.4
127.89684	0.4
139.39487	0.4
146.13274	0.4
180.48813	0.4
287.20154	14.3
287.23355	0.7
288.20572	2.1
317.21194	100.0
318.21561	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	317.2121
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
50.92024	0.2
62.59394	0.3
69.97365	0.8
69.97762	0.6
78.80318	0.3
81.45215	0.3
241.72693	0.3
250.77844	0.3
261.35321	0.3
317.21198	100.0
318.21533	10.8
318.25290	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26089	0.4
68.93774	0.4
71.09077	0.4
71.09409	0.9
124.09758	0.4
155.42287	0.5
199.00780	0.4
317.21185	100.0
318.21527	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	317.2119
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
52.95115	0.5
58.08044	0.4
69.97147	1.4
98.19958	0.6
119.31861	0.5
119.90414	0.5
180.95354	0.4
199.81924	0.4
272.61032	0.4
293.73474	0.4
317.21194	100.0
318.21561	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	317.212
Annotation	Unknow
Peak:m/z	Relative Intensity
62.83888	0.3
70.53732	0.8
115.59642	0.3
162.47798	0.3
170.59889	0.3
271.20770	0.4
286.35913	0.3
317.21191	100.0
318.21521	14.1
318.25259	0.7
339.81693	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2122
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
58.20809	0.2
69.23336	2.2
86.37532	0.3
168.75819	0.2
271.20801	0.3
299.20099	0.4
317.21194	100.0
318.21542	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	317.2121
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
52.76973	0.3
60.99298	1.0
69.48672	2.0
79.23493	0.2
90.74207	0.2
161.50922	0.3
161.86511	0.3
269.19162	0.5
271.20688	2.1
287.20242	1.6
299.20139	2.0
317.21198	100.0
318.21555	11.9
318.25308	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2121
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
57.10290	0.2
69.48462	0.6
69.48888	1.0
79.61314	0.2
128.82312	0.2
176.76625	0.3
296.76193	0.3
317.21185	100.0
318.21530	12.2
337.08350	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.212
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29181	0.2
61.49126	0.2
67.10513	0.2
71.52621	0.2
76.00460	0.2
83.05010	0.3
85.02953	0.2
96.76379	0.2
96.96004	0.7
125.45385	0.2
132.66312	0.2
150.06821	0.2
161.06067	0.3
173.06090	0.4
174.06804	0.7
175.07568	0.7
176.08438	0.2
187.07613	0.3
188.08414	0.4
189.05627	0.8
189.09204	1.0
190.06355	0.3
190.10001	3.2
191.10439	0.3
201.09161	0.3
202.09967	1.1
203.10753	1.8
204.11391	0.6
215.10718	0.3
216.11534	0.4
217.04994	0.2
217.12312	5.1
218.13086	1.4
219.13809	1.0
221.71625	0.2
227.10817	0.2
229.12349	0.2
230.09486	0.4
230.13062	1.6
231.13696	0.4
242.13042	0.3
243.13879	0.5
255.47289	0.2
257.15253	0.2
269.15387	0.4
284.17792	2.3
285.18085	0.3
287.16925	0.3
287.20074	1.8
289.14487	0.6
299.20126	3.0
300.20547	0.4
302.18872	1.2
317.13882	4.1
317.21176	100.0
318.14172	0.7
318.17999	0.6
318.21512	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	315.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68432	0.2
59.01374	3.9
64.60489	0.2
69.97591	1.1
91.52544	0.2
166.19928	0.3
234.50426	0.2
272.26645	0.3
315.19623	100.0
315.25583	2.8
316.19965	10.9
316.25629	0.5
332.71222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1966
Annotation	Cespitularin F
Peak:m/z	Relative Intensity
55.05484	2.7
56.77019	2.4
57.03446	11.8
58.24189	2.3
59.01370	8.5
64.02768	2.7
71.00749	4.2
71.01373	10.6
73.02943	3.0
74.10303	2.3
79.05521	8.2
83.05027	8.5
85.02932	3.0
85.07790	2.3
89.02447	6.7
95.05008	12.3
96.96013	12.3
101.02422	5.1
103.45385	2.7
107.05045	30.4
114.92670	2.6
119.08644	10.8
120.05814	3.7
121.02945	8.0
121.06564	6.2
122.03315	4.3
133.06528	2.8
135.08174	17.8
136.08549	2.9
137.09711	6.9
145.10191	4.4
153.53990	2.7
161.06039	5.1
161.09708	3.0
163.07597	2.7
163.11264	12.4
173.09706	5.6
175.07654	3.4
187.14882	4.7
189.74193	2.9
197.09648	3.9
203.14417	2.5
211.11263	5.4
213.06583	2.7
213.12801	11.1
253.15863	5.0
253.19530	11.8
257.15439	6.7
262.57138	2.7
263.14395	5.7
271.20828	12.7
277.15869	4.9
279.17514	24.1
280.17950	3.7
281.15405	4.0
295.16840	3.8
297.18588	83.0
298.18875	10.8
300.02692	7.0
315.05029	4.4
315.12726	15.3
315.19601	100.0
316.19955	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	315.254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01713	1.3
61.41988	0.7
61.98832	1.0
70.52865	1.5
78.38428	0.6
83.05013	0.8
89.41480	0.6
95.74179	0.7
112.50166	0.6
142.27409	0.7
167.10826	0.9
217.24052	0.8
235.39880	0.7
251.40211	0.6
255.23338	3.3
257.15561	0.8
265.44846	0.9
296.76160	0.7
297.24435	2.0
300.02832	2.4
301.03378	0.7
314.97870	0.9
315.19724	40.5
315.25482	72.8
316.20029	6.1
316.25641	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01713	1.3
61.41988	0.7
61.98832	1.0
70.52865	1.5
78.38428	0.6
83.05013	0.8
89.41480	0.6
95.74179	0.7
112.50166	0.6
142.27409	0.7
167.10826	0.9
217.24052	0.8
235.39880	0.7
251.40211	0.6
255.23338	3.3
257.15561	0.8
265.44846	0.9
296.76160	0.7
297.24435	2.0
300.02832	2.4
301.03378	0.7
314.97870	0.9
315.19724	40.5
315.25482	72.8
316.20029	6.1
316.25641	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.254
Annotation	9,10-Dihydroxystearate
Peak:m/z	Relative Intensity
50.56889	0.6
51.69727	0.5
58.51514	0.6
59.01381	100.0
60.01709	1.1
60.79213	0.5
66.95064	0.5
70.65480	1.3
71.20774	0.6
73.33874	0.7
85.02952	15.0
90.41803	0.6
106.53637	0.6
118.18770	0.6
122.75948	0.6
128.07925	0.5
129.42046	0.6
211.20665	4.3
219.71072	0.6
297.24350	1.0
300.02728	0.6
315.19623	1.3
315.25397	31.4
316.25714	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.7
63.96238	0.5
69.71311	0.5
69.71950	1.7
71.01377	6.9
73.02944	0.9
78.98589	5.0
79.95728	6.1
80.96517	50.5
81.03439	0.6
83.01387	0.5
85.02940	2.1
87.00876	1.8
94.98082	12.0
96.96008	0.7
97.02950	0.8
100.38117	0.4
101.02442	1.6
106.98069	2.4
118.73631	0.3
122.97601	2.6
125.02432	2.7
127.03960	0.9
134.97586	2.9
136.99130	1.5
148.99146	5.7
152.98611	5.6
164.97316	0.8
164.98619	9.5
206.99657	2.3
219.82733	0.5
225.00729	15.6
317.05447	100.0
318.05765	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70620	0.6
59.01379	3.3
65.00325	1.2
69.03454	1.6
71.01382	0.7
71.05009	1.0
79.95729	0.9
80.96529	2.3
83.05039	0.9
85.02943	0.6
87.00845	0.6
93.03436	0.7
96.96028	2.8
97.06599	2.1
99.08160	13.6
109.02958	0.7
111.04535	0.9
113.09731	0.7
115.07638	0.8
117.03481	1.1
120.99626	0.5
125.02467	0.9
131.03497	0.6
135.04613	0.6
136.07744	0.8
136.98793	1.7
139.11293	1.8
141.12840	2.5
149.95053	0.6
155.10794	0.7
161.02443	8.2
167.10780	0.9
179.10724	1.1
183.10254	0.8
185.02487	1.2
185.11823	100.0
186.12157	5.9
191.05582	1.0
230.02219	0.6
237.14983	9.0
238.15379	0.7
245.04590	3.0
250.59808	0.9
257.00781	3.5
257.17676	1.1
275.18613	8.7
302.03253	0.7
317.02441	4.3
317.05756	2.2
317.11108	3.1
317.16006	5.8
317.21442	5.9
318.21573	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81451	1.3
59.01376	3.4
61.98816	1.8
64.21014	1.4
65.00293	1.8
67.71080	1.3
71.07382	1.8
71.07706	2.5
79.05521	5.5
83.05029	5.6
95.05035	1.4
117.03492	1.9
119.08666	14.3
131.08633	3.5
135.04501	6.4
136.98816	2.0
137.09695	4.6
146.40977	1.5
153.05598	2.3
163.87524	1.4
186.11943	1.5
237.16431	1.8
240.67470	1.4
242.06192	1.3
253.19591	4.4
271.20648	15.2
272.21008	1.7
300.02689	12.4
300.17044	1.5
302.65851	1.6
315.05078	4.3
315.08633	2.4
315.19611	100.0
315.25485	3.4
316.19937	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	315.1964
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
51.53269	0.4
51.99267	0.4
57.03442	1.3
69.68832	1.3
69.69242	0.8
74.69266	0.3
83.45118	0.4
98.20606	0.4
102.46474	0.4
136.97827	0.4
158.39328	0.4
202.11787	0.4
244.33093	0.3
253.19554	0.5
255.17493	0.8
269.19025	1.4
271.20630	4.9
272.21078	0.4
315.19620	100.0
316.19962	11.8
321.59521	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1964
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
55.56795	0.4
81.26223	0.4
118.37379	0.4
128.62106	0.4
138.87801	0.4
219.63643	0.4
315.19620	100.0
316.19968	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	315.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05910	1.0
55.01876	7.3
56.15693	1.2
56.32369	1.2
57.03433	4.9
58.00590	1.9
59.01377	51.1
62.29501	1.1
65.00305	1.7
66.78152	1.1
69.31458	6.1
69.31882	4.0
71.01379	100.0
72.99312	3.1
73.02943	26.4
83.01387	12.8
84.02147	1.1
85.02949	43.0
85.03471	2.2
86.03296	2.4
87.00860	3.9
89.01939	1.7
89.02448	22.8
95.01378	9.7
96.95997	2.8
99.00891	12.8
101.02438	56.6
110.79498	1.2
113.02443	37.5
119.03518	6.3
133.02957	1.8
136.79024	1.5
143.03444	2.1
153.01862	2.5
159.03000	5.1
161.04535	19.4
162.04883	1.2
211.16885	1.2
212.04456	1.3
236.41135	1.4
257.03506	2.6
285.03000	8.4
288.83780	1.3
300.02618	8.4
300.05515	4.2
309.21884	1.4
315.04813	4.1
315.07797	8.9
315.12619	2.0
315.18140	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	315.1811
Annotation	Geranyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01883	9.1
57.03450	7.3
58.00586	2.8
59.01381	56.5
69.03442	1.5
71.01381	85.7
71.53960	1.2
72.99283	3.4
73.02943	35.6
83.01390	18.8
83.05018	9.1
85.02946	53.3
86.00072	2.8
87.00896	4.3
89.02431	9.9
89.39731	1.1
93.38252	1.1
95.01378	7.2
96.96019	7.3
97.02961	1.9
99.00889	16.3
101.02438	100.0
102.02818	2.2
111.00846	2.0
113.02442	37.5
119.03499	2.8
122.29396	1.3
125.02464	2.0
129.01996	1.7
143.03503	2.5
147.08086	1.2
159.02951	6.4
161.04541	28.5
174.53412	1.1
185.10030	1.4
198.81660	1.3
203.43002	1.1
218.25601	1.3
222.15962	1.3
239.79608	1.3
300.02759	5.2
315.05136	2.9
315.12793	9.6
315.18002	27.7
316.18436	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1814
Annotation	Geranyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01877	5.7
57.03452	6.6
58.00585	1.4
58.78511	0.9
59.01379	63.9
69.03447	0.9
71.01381	100.0
72.01736	1.5
72.99310	5.4
73.02946	26.8
75.00869	2.5
83.01383	10.4
84.02191	1.2
85.02950	46.2
86.03315	1.1
87.00873	3.9
89.02441	27.1
94.49563	0.9
95.01383	6.4
97.02956	2.9
98.19827	1.7
99.00877	10.2
101.02443	61.8
101.28448	1.1
102.02788	1.8
113.02452	41.0
114.02777	1.4
119.03500	10.1
125.02433	1.1
129.01993	2.1
143.03477	5.1
159.02968	6.9
161.04547	33.1
167.21765	1.0
185.10046	4.5
205.03516	1.2
300.02716	4.8
315.05139	2.9
315.12476	1.8
315.18066	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	315.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.7
59.01366	1.1
63.62708	0.5
69.03452	13.8
69.47924	1.2
69.48331	2.8
71.01363	0.8
71.05022	3.6
78.48325	0.5
79.95712	2.2
87.00868	1.9
88.82318	0.6
94.80359	0.6
111.08147	3.2
113.06086	1.8
121.72530	0.5
123.08154	1.1
131.03458	1.3
139.11287	19.7
140.11588	1.2
162.44464	0.5
183.10246	100.0
184.10597	4.7
191.10828	1.1
197.11885	1.7
262.40692	0.5
315.09247	2.9
315.14490	12.4
316.14706	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1812
Annotation	Geranyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01873	10.8
57.03449	6.6
58.00587	2.3
59.01376	53.2
68.99844	1.1
71.01379	100.0
72.01712	1.4
72.99296	2.9
73.02943	39.6
75.00864	2.1
78.49647	1.0
80.30009	1.2
83.01388	22.7
85.02946	51.1
86.00105	2.0
86.45921	1.1
87.00887	3.4
89.02431	6.6
95.01380	7.3
97.02939	3.3
98.20782	2.4
99.00877	16.7
101.02441	88.4
102.02806	2.0
113.02446	44.1
117.03489	2.4
118.03765	2.9
123.00892	2.2
125.02415	3.2
129.01958	2.5
143.03465	5.7
153.12848	4.1
159.03001	12.8
161.04547	72.4
162.04892	3.1
172.04803	2.2
178.99823	5.6
180.00195	4.3
188.04341	1.3
200.04233	1.2
205.03584	2.1
272.02777	5.4
300.02316	16.2
301.02335	1.6
315.04657	10.9
315.18106	62.6
316.04736	2.1
316.18494	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	315.0875
Annotation	2',4'-dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone
Peak:m/z	Relative Intensity
58.42850	0.4
59.01374	0.8
59.20795	0.4
63.10006	0.4
65.00317	4.3
65.27366	0.4
66.01093	0.4
69.55251	2.3
69.55666	1.0
81.31710	0.5
82.47939	0.4
91.01896	0.9
95.01398	0.9
95.76891	0.4
102.11214	0.5
106.00592	1.0
107.01402	2.5
107.05000	0.6
121.02940	3.3
122.43483	0.4
123.00879	4.6
124.01629	0.6
134.03737	100.0
135.04573	12.1
136.04832	0.8
149.06071	63.3
149.99577	27.8
150.06393	2.8
151.00371	6.7
153.05560	0.5
156.28842	0.5
164.01120	1.4
165.01927	20.1
169.01373	2.2
183.02975	17.1
184.03334	0.8
196.00121	0.5
210.01651	0.6
237.65811	0.5
282.05252	0.5
285.04041	3.0
300.02933	1.7
300.06345	22.0
301.06686	1.6
315.08728	47.7
315.19589	5.9
316.08978	4.2
316.19913	0.6
334.55542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1084
Annotation	Taxicatin
Peak:m/z	Relative Intensity
65.03963	2.0
67.01880	1.1
70.38159	1.3
71.01412	0.6
71.11030	0.3
79.15730	0.3
84.45635	0.4
86.35404	0.3
91.29138	0.4
95.05049	0.7
109.02950	30.2
110.03276	1.1
115.27958	0.4
122.03674	0.8
123.04523	72.4
124.04861	2.0
135.00861	1.4
153.01958	18.9
153.05571	100.0
154.02280	0.8
154.05893	5.0
161.04541	0.4
212.71426	0.3
217.98868	0.3
315.03809	0.6
315.07236	7.0
315.10916	1.7
316.07697	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.2
56.87001	2.5
57.03445	12.1
59.01368	10.6
65.03919	2.6
70.15056	5.2
70.15421	9.1
71.01380	5.9
71.05006	17.9
72.99308	4.4
73.02937	4.2
74.99126	4.4
79.95751	3.8
80.39597	2.6
80.96516	6.8
81.03431	3.0
83.04991	4.0
85.02942	9.7
85.06582	6.8
87.00880	6.4
87.04511	100.0
95.05022	2.8
97.06605	2.8
98.02505	3.1
99.04527	3.1
101.02443	2.3
101.06081	4.4
103.03982	3.3
108.02174	4.5
109.02943	28.0
109.06606	3.8
111.00873	4.8
111.08154	6.5
112.04031	4.4
114.04337	2.5
118.98096	15.3
123.04474	5.3
123.08119	3.0
125.09692	4.7
126.03197	11.9
130.08751	3.6
135.04512	2.4
139.10234	3.1
139.11301	53.4
144.55098	2.4
151.11317	7.7
152.01166	6.3
153.01918	37.0
153.05537	7.9
162.89684	2.5
165.09149	7.1
173.04413	2.7
183.06581	4.9
183.13872	5.3
191.14409	11.8
209.15436	11.6
221.20097	2.3
227.16370	14.5
241.83250	2.7
253.14409	25.0
271.11063	3.5
271.15530	55.6
272.15756	4.8
288.57339	2.6
315.07260	18.4
315.10684	3.9
315.14743	12.6
315.19608	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	315.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.5
57.03446	9.0
59.01376	13.0
69.94456	3.7
69.94844	4.3
71.01384	6.0
71.05026	18.5
72.99311	4.3
73.02950	5.3
79.95763	2.2
80.96533	2.6
83.05008	2.6
85.02944	7.7
85.06594	6.4
87.00861	3.6
87.04517	100.0
88.04073	3.3
90.06495	1.9
93.03462	2.0
96.96024	1.8
97.06606	2.6
98.20629	2.0
99.04517	3.4
101.06071	2.9
103.04021	4.6
104.94207	1.6
108.02176	3.7
109.02990	3.6
109.06586	2.4
111.08167	4.5
115.99081	1.9
116.92841	3.6
123.00891	2.9
123.04523	2.2
123.08131	2.1
124.01680	4.2
125.09721	7.3
126.03228	8.5
135.08144	2.4
137.09698	3.4
138.05611	8.3
139.06006	9.1
139.07655	5.9
139.11296	41.8
140.11577	1.7
147.08234	1.6
149.04575	2.4
149.09705	3.2
151.11266	5.3
153.00700	2.3
153.01973	2.3
154.01465	52.7
154.02719	2.5
165.09192	6.3
169.12373	3.9
176.22739	1.8
183.06624	3.4
183.13893	4.8
189.15793	1.6
191.14398	11.9
192.14552	1.7
209.11797	6.1
209.15483	12.3
227.12907	3.8
227.16476	16.1
235.13336	2.9
253.14447	26.7
259.92078	1.7
271.10864	4.6
271.15509	53.0
272.11609	1.8
272.15802	4.6
281.67062	1.7
315.14508	8.8
316.06897	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	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01385	1.1
64.82248	0.5
71.01397	2.5
71.50048	0.9
72.99303	0.9
73.02953	0.7
81.03468	1.6
85.02951	2.2
87.00871	1.2
89.02437	0.8
91.01866	0.6
92.92827	0.5
95.01382	1.2
101.02422	0.7
105.01943	2.7
108.02174	96.0
109.02958	92.2
110.03262	2.6
111.02020	0.6
113.02447	1.1
114.94710	0.6
121.02956	1.0
123.00826	1.1
123.04482	0.8
149.04488	0.8
151.04021	1.0
152.01149	61.6
153.01938	100.0
154.02312	3.3
154.05052	1.2
163.03976	1.4
165.01910	2.1
195.98128	0.5
240.97504	0.8
274.48203	0.5
296.12973	0.5
315.07208	77.2
316.07532	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	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01392	0.7
59.82631	0.7
70.83193	1.2
71.01389	1.9
73.02977	0.8
79.05209	0.6
81.03470	0.5
85.02955	1.8
91.74683	0.5
95.01441	0.6
101.02466	0.6
108.02174	100.0
109.02962	54.4
110.03294	1.5
123.00883	1.1
123.04538	1.7
125.57101	0.6
131.82083	0.6
132.59341	0.6
152.01152	61.8
153.01938	64.9
154.02292	2.5
163.03969	1.3
165.01917	1.6
315.07208	60.7
316.07465	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	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
53.28288	0.4
53.98760	0.3
65.03965	6.7
66.40651	0.4
67.01894	3.2
69.25148	0.4
70.01725	1.6
71.01381	1.8
85.02959	0.7
91.01931	0.5
91.97318	0.4
101.02417	0.5
109.02947	100.0
110.03291	2.7
113.02454	0.7
123.04494	0.7
135.00883	5.1
153.01926	61.7
154.02295	2.1
159.02982	0.4
161.04497	0.9
167.65952	0.4
201.91449	0.4
315.07196	17.5
316.07538	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2385
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
52.08730	0.4
58.00593	2.8
59.01377	0.5
70.82642	1.0
74.15005	0.4
97.06573	1.2
99.08154	21.0
100.08492	0.8
100.95530	0.4
101.09695	0.8
103.14708	0.4
111.08171	0.6
127.07668	4.7
129.09230	21.3
130.09518	0.5
183.13896	41.4
184.14204	1.8
195.13889	3.5
264.94122	0.5
277.21713	4.2
278.09552	0.4
283.02548	1.5
295.22769	8.9
296.23166	1.0
298.04794	1.0
299.54962	0.5
311.22156	0.8
313.07166	1.2
313.23828	100.0
314.24170	11.1
318.10483	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2748
Annotation	19-hydroxy-nonadecanoic acid
Peak:m/z	Relative Intensity
58.80352	0.7
59.01377	100.0
70.99664	1.9
88.93103	0.8
97.90101	0.8
98.33440	0.7
131.77483	0.7
146.80727	0.8
154.27667	0.8
183.01335	0.9
185.00661	4.7
274.62769	1.1
313.16711	9.9
313.27463	55.1
314.27866	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	314.043
Annotation	3'-O-methyltricetin(1-)
Peak:m/z	Relative Intensity
55.01882	1.6
56.51237	0.3
57.03444	1.3
59.01380	9.2
62.58966	0.3
65.00323	1.3
67.01884	3.7
68.99812	0.5
69.53085	1.5
69.53484	0.4
71.01382	16.9
72.49413	0.2
72.99304	0.5
73.02943	6.5
79.01901	0.7
79.99037	1.6
81.66723	0.3
83.01376	3.2
85.02954	8.7
86.00107	0.3
87.00880	0.8
89.02457	1.2
91.01924	0.3
92.99832	0.9
95.01381	4.8
96.96104	0.3
96.99287	1.6
97.02947	0.5
99.00883	2.9
101.02448	15.3
107.01398	0.3
110.00135	0.5
111.00877	0.8
113.02451	7.0
113.03262	0.4
116.72713	0.3
117.03460	28.5
118.03762	1.6
119.03561	0.3
119.05027	1.0
120.02180	0.3
123.00892	13.4
124.01196	0.4
124.98803	2.3
125.02415	0.6
129.01967	0.4
130.04233	0.3
136.98820	0.8
137.99574	0.3
138.47554	0.3
139.00340	0.4
140.67801	0.3
141.03438	0.5
143.03575	0.6
143.05025	3.8
145.02959	2.3
145.06586	0.7
149.99591	0.3
151.00369	19.8
151.97511	2.9
152.00720	0.8
153.12860	0.6
153.99112	0.3
155.04994	0.6
158.03679	0.6
159.02977	2.0
159.04483	2.4
161.04561	11.3
164.98270	0.6
166.99846	0.8
167.05031	0.8
169.02991	0.8
171.04517	15.1
172.04872	0.7
176.01140	0.5
177.99115	0.7
178.99854	45.6
179.97121	0.5
180.00183	1.9
180.97755	2.6
181.02965	0.3
182.03865	0.3
183.04533	1.2
185.02425	4.9
186.03044	0.7
187.03995	9.9
188.04353	0.6
189.05559	0.7
193.01443	0.5
194.99248	1.3
195.04428	0.5
196.05278	0.6
197.02455	0.7
198.03145	1.2
199.03998	9.0
200.04370	0.8
205.03590	0.3
209.02373	0.4
211.04007	1.0
212.04689	0.4
215.03479	2.4
223.04030	0.5
225.01863	1.0
226.02684	0.7
227.03468	3.1
239.03471	0.7
240.04231	2.4
241.09869	0.3
243.02968	10.0
244.03354	0.7
255.02943	3.1
268.03714	1.3
271.02457	31.7
272.02814	2.8
285.03967	1.0
296.03244	7.9
297.03693	1.0
299.01947	100.0
300.02347	9.4
313.03491	3.1
314.04294	63.4
315.04681	6.6
315.08347	0.5
315.18140	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	313.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01381	2.1
69.38219	0.2
71.01391	1.5
71.51371	0.4
72.99329	0.7
73.02946	1.4
75.87825	0.3
81.03482	0.3
83.01398	0.3
83.05016	0.5
85.02950	1.5
87.00878	0.3
87.04501	0.7
89.02460	0.6
95.05013	0.4
97.06561	0.7
98.02516	0.3
99.04559	0.2
101.02439	0.4
107.05014	1.5
108.02179	0.7
109.02949	3.4
109.03622	0.4
111.00863	0.5
111.04533	0.4
119.03525	0.4
121.06583	0.4
123.00874	1.0
123.08176	0.7
124.01647	0.7
125.09726	0.4
126.03217	1.5
132.05508	0.3
135.04532	0.8
135.08083	0.4
136.05289	0.4
137.06099	0.7
137.09779	0.5
149.09747	0.5
150.03275	1.2
150.06827	0.6
151.04007	100.0
151.11261	0.9
152.04355	4.6
153.09254	0.5
161.37144	0.3
162.17599	0.3
163.11258	0.3
167.10779	1.0
168.10272	0.6
177.09238	1.6
179.10759	0.3
180.13930	0.3
183.10316	0.3
186.11285	1.4
191.39253	0.2
193.12288	0.4
195.10349	0.5
221.11772	0.4
223.13486	0.4
250.10915	0.3
251.12878	1.6
252.12500	0.5
269.13879	2.6
270.13608	1.0
274.24225	0.3
313.09399	7.1
313.12976	1.5
314.09518	0.6
314.12576	1.9
324.59238	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	19.6
59.01375	11.0
59.05021	6.0
60.41937	3.1
69.03449	11.3
69.27360	28.1
71.01393	7.6
71.05014	9.0
73.02945	11.9
89.02483	3.0
96.31165	3.1
99.04464	3.5
101.02444	4.5
119.08664	25.6
131.03490	6.3
135.08194	3.5
136.86342	3.3
137.09714	30.1
138.91020	3.0
149.04576	14.7
159.85870	3.1
166.05043	3.7
169.12305	3.5
181.08698	100.0
182.08984	5.6
211.13385	5.0
271.15475	4.3
273.07336	3.4
313.12833	36.5
313.16620	11.3
314.13135	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	313.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91172	1.2
55.01875	9.3
57.03453	6.3
58.00589	2.2
59.01379	72.9
64.29165	1.1
69.40026	8.4
69.40419	2.5
71.01381	100.0
72.99308	4.4
73.02948	27.9
75.00878	2.4
83.01391	14.8
85.02951	46.3
85.03472	2.4
87.00872	3.1
89.02446	25.7
89.03012	1.4
95.01375	7.7
97.02956	2.1
98.20628	1.7
99.00881	13.6
99.71719	1.1
101.02443	78.6
102.02792	1.7
103.04015	1.2
111.00893	1.4
113.02452	37.2
114.02834	1.1
119.03518	8.2
129.01866	1.6
134.87103	1.2
143.03487	2.6
159.03027	6.4
161.04559	32.9
162.04857	1.6
167.15842	1.2
195.88225	1.1
205.42870	1.4
238.07378	1.2
313.07083	1.5
313.10938	1.6
313.16568	17.6
314.16849	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	313.2383
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
57.03389	0.4
59.01365	0.5
61.98822	0.6
64.76938	0.4
69.60220	1.7
69.60638	0.8
91.71950	0.3
92.00838	0.4
98.19981	0.5
99.17273	0.4
108.02113	0.4
117.03447	0.9
121.02954	1.7
125.09718	0.5
127.11307	0.7
135.00871	0.5
139.11324	0.7
141.12872	0.5
155.10776	2.7
155.14478	0.4
157.12251	0.4
163.00372	1.4
171.10246	4.4
172.10718	0.4
182.28064	0.4
183.04529	0.7
187.83003	0.4
204.54601	0.4
207.09898	0.5
230.53978	0.4
255.02956	1.9
261.10477	0.4
277.21683	0.9
283.02481	7.5
284.02872	0.8
295.22818	7.0
296.23093	1.0
298.04803	6.4
299.04886	0.8
311.22150	0.8
313.03745	0.5
313.07162	4.9
313.17865	2.5
313.23834	100.0
314.07437	0.7
314.18475	0.6
314.24167	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	313.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.3
57.03432	25.2
59.01377	26.9
69.26315	53.0
69.65871	4.7
71.01386	43.6
71.05006	11.7
72.02149	15.2
72.73052	5.4
72.99300	11.3
73.02947	61.0
81.03455	7.3
83.01378	7.0
83.05013	21.4
85.02948	72.3
87.00866	21.1
87.04499	22.7
89.02408	6.4
93.03447	8.4
95.05031	10.3
97.06577	25.1
98.03690	7.2
99.04475	8.3
108.02178	6.6
109.02921	14.0
109.06573	17.3
111.04523	14.9
111.08148	9.5
113.02361	6.0
121.06544	11.8
121.80399	5.9
123.08124	16.9
124.01663	11.0
125.02491	7.0
125.09682	17.2
126.03229	64.3
131.73248	6.0
133.10207	15.0
135.04515	22.3
135.08128	10.3
136.05264	17.8
137.06065	25.7
137.09717	11.9
139.07413	5.5
140.79575	5.9
149.09746	32.4
150.06857	19.0
151.07631	21.2
151.11267	66.9
153.05492	10.6
153.09198	12.7
163.11369	8.5
167.10738	26.1
167.12021	6.1
171.10231	5.7
173.04567	5.6
177.09192	60.3
177.12785	18.7
179.49879	6.1
181.05013	6.2
181.12228	6.7
183.10254	24.1
189.12862	10.6
195.10190	23.9
195.13879	16.1
197.11790	8.7
199.09619	9.3
221.11900	6.2
223.13402	9.9
225.11220	8.3
225.14903	10.7
251.12904	59.7
269.13947	100.0
270.14081	6.3
285.80756	6.1
310.78513	6.1
313.12833	24.3
326.68912	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18744	0.5
57.03469	1.1
59.01377	5.6
65.00330	1.5
70.31979	1.9
117.03450	13.1
118.03812	0.7
119.05041	1.1
121.02971	1.6
123.00961	0.8
133.02960	0.9
135.00902	4.4
136.98853	1.4
137.99483	0.6
142.31183	0.6
143.04964	0.9
150.05666	0.5
151.00380	1.4
159.04424	1.3
162.99014	1.0
163.00366	16.4
164.98262	5.2
173.57820	0.5
178.99852	1.0
183.04507	5.2
184.04935	0.7
185.02477	1.6
205.01111	0.7
211.03949	2.4
223.96773	0.6
225.18626	1.0
227.03516	6.5
239.03481	1.5
241.01430	0.6
253.18118	3.1
255.02972	19.6
256.03336	1.3
268.03723	0.8
269.04462	6.6
269.15625	0.9
270.04938	1.2
271.19150	18.4
272.19461	0.8
281.04428	0.8
283.02463	100.0
284.02777	7.1
297.04050	12.7
298.04794	50.1
299.05118	3.5
312.22635	1.3
313.07153	76.2
313.23196	1.4
314.07532	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	313.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69907	0.5
59.01366	0.7
60.05819	0.5
64.44755	0.5
65.00320	1.8
69.59671	2.9
89.36097	0.5
91.01895	1.0
95.01378	0.7
102.41077	0.5
107.01383	0.8
108.99326	0.6
117.03454	12.8
117.04276	0.7
119.05013	0.8
119.21757	0.5
123.00886	0.9
133.02963	0.5
135.00887	4.5
136.98743	1.6
137.99710	0.5
143.05029	0.5
149.02400	0.6
151.00336	2.0
159.04517	1.2
161.45255	0.5
162.98996	1.0
163.00356	16.6
164.70668	0.5
164.98273	4.5
166.17729	0.5
167.05006	0.8
169.02979	0.7
173.58665	0.5
178.99844	1.4
183.04518	4.8
185.02330	1.4
211.03897	3.0
225.05502	0.6
227.03510	7.1
239.03458	0.9
255.02988	17.8
256.03333	1.3
268.03757	0.6
269.04541	6.9
270.04993	0.8
283.02454	100.0
284.02789	7.8
297.04047	17.1
298.04791	46.5
299.05176	3.7
313.07159	81.9
314.07443	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	313.0929
Annotation	Bungeiside B
Peak:m/z	Relative Intensity
53.23007	0.2
54.07987	0.2
57.03444	0.6
59.01367	2.1
71.01386	1.8
71.51701	0.3
72.99303	1.0
73.02953	1.3
81.03483	0.3
83.01383	0.4
83.05022	0.6
85.02952	1.8
87.00886	0.6
87.04529	1.1
89.02438	1.1
95.05025	0.6
97.06582	1.0
98.02447	0.4
101.02418	0.7
106.96361	0.3
107.05023	1.5
108.02164	0.7
109.02953	3.8
109.06599	0.4
111.00848	0.4
111.08168	0.4
113.02454	0.5
121.06579	0.4
122.03732	0.4
123.00866	0.8
123.08127	0.5
124.01656	0.8
126.03217	1.3
135.04488	0.6
136.05315	0.5
137.06079	0.5
147.04568	0.3
149.09706	1.1
150.03192	1.0
150.06831	0.5
151.04002	100.0
151.11243	0.6
152.04333	4.7
153.09213	0.4
167.10695	0.6
168.10228	0.4
172.01517	0.3
177.09259	1.5
179.10745	0.4
186.11389	1.6
195.10254	0.9
251.12914	1.4
269.13953	2.8
270.13632	0.8
313.09296	7.6
313.12979	1.9
314.09561	0.6
314.12573	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	313.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95015	1.0
69.95405	0.7
91.01894	0.5
98.20523	0.6
102.98640	0.5
108.02219	0.5
119.01373	0.9
121.02922	0.4
123.00880	1.9
126.69907	0.4
132.02170	1.1
133.02948	33.0
134.03688	2.6
135.00880	0.8
135.04572	0.5
139.04030	0.7
140.96848	0.4
147.00868	3.0
148.33394	0.4
149.02444	1.3
151.00389	0.7
155.05016	0.5
163.00412	2.7
165.12877	1.2
167.05034	0.7
171.04485	0.7
183.04440	3.2
183.13887	2.6
195.04480	0.9
198.03188	0.6
199.04028	3.2
211.03960	3.7
224.18149	0.5
227.03493	11.2
227.12877	1.2
228.03809	0.8
239.03484	1.2
241.05005	0.7
252.04236	1.2
255.02971	32.1
256.03397	2.3
268.03751	0.7
269.04578	3.4
269.17590	1.5
280.03714	1.9
283.02451	100.0
284.02789	7.6
297.04001	2.2
298.04797	45.8
299.01993	0.7
299.05090	3.7
313.07144	89.0
314.04169	0.7
314.07510	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	313.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66637	0.2
54.74979	0.2
59.01377	0.5
69.21214	0.6
69.21635	1.2
70.80728	0.2
75.13780	0.2
93.03468	0.5
108.02185	0.4
116.02761	0.2
117.03471	1.5
121.02956	100.0
122.03297	3.8
123.95238	0.2
124.98795	0.3
127.05551	0.4
133.02925	0.5
141.03459	0.4
145.02940	1.0
147.04472	0.3
149.99554	0.2
156.05724	0.4
157.03003	0.3
157.06561	1.5
158.03740	0.8
163.00429	0.2
169.02953	0.7
170.03728	2.5
171.04272	0.3
173.02480	0.7
173.06059	3.6
174.06424	0.3
177.99025	0.3
180.05818	0.8
181.06580	4.5
182.06943	0.3
182.25311	0.2
184.05275	0.2
185.02448	1.3
185.06047	1.2
186.03226	2.3
193.01425	0.4
197.02467	0.4
198.03214	3.6
199.03761	0.4
199.07565	0.4
201.01970	0.9
203.07173	0.8
211.03969	0.4
213.01991	1.0
213.05592	0.8
214.02710	1.8
215.03177	0.2
225.02148	0.3
225.05545	6.7
226.02715	2.4
226.05898	0.5
227.03305	0.4
229.01563	0.3
229.05115	0.9
231.06631	0.3
239.03513	0.3
241.01479	0.5
241.05058	4.4
242.02155	0.6
242.05542	0.3
254.02376	0.3
255.03041	0.4
257.00906	0.6
269.08130	0.4
270.01682	1.0
283.02542	1.9
284.02863	0.3
285.00369	0.6
285.03937	0.5
298.01230	1.9
298.04858	1.8
312.99762	0.7
313.03528	7.0
313.07227	13.2
313.14664	0.4
313.17862	0.5
313.23700	0.2
314.03918	0.9
314.07562	1.2
330.82779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59353	0.4
63.02334	0.5
65.00284	1.6
70.82928	0.7
91.01838	0.9
105.33109	0.4
110.00065	0.9
110.07462	0.4
117.02682	0.8
117.03451	11.3
135.00876	5.4
136.98737	1.5
143.04984	1.1
149.28746	0.4
157.35039	0.4
159.04424	1.5
163.00362	17.8
164.00700	0.6
164.96973	0.4
164.98265	5.8
165.98979	0.9
169.02934	0.5
180.47603	0.4
183.04477	5.8
185.02357	1.8
187.03918	0.9
199.03935	0.7
211.03975	2.7
227.01375	0.5
227.03484	6.9
239.03503	0.7
244.81723	0.4
255.02974	19.9
256.03366	1.0
269.04413	0.5
283.02451	100.0
284.02753	9.1
297.03970	1.4
298.04803	76.1
299.05115	7.0
313.07156	59.5
314.07507	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	311.2227
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
57.03436	2.1
59.01362	1.0
60.85030	0.9
60.87944	0.8
70.83546	1.2
70.83892	1.6
76.17355	0.9
84.26528	0.8
84.57632	0.8
97.06541	1.3
113.09724	1.7
121.10214	1.6
125.09715	2.6
127.11306	4.6
128.79893	1.0
129.09195	3.9
129.41090	1.0
129.87086	0.8
139.11295	10.9
151.11235	1.3
155.10767	3.5
169.12303	2.0
171.10266	54.7
172.10583	2.8
181.12305	2.5
183.10274	5.9
185.11841	8.7
197.11839	4.8
199.13382	1.5
201.11325	10.6
211.13390	7.1
265.21512	0.9
275.20108	4.9
293.21228	20.1
294.21448	2.2
311.22266	100.0
312.22617	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	313.0349
Annotation	2,3,8,10-Tetrahydroxy[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one
Peak:m/z	Relative Intensity
63.64175	0.3
65.00301	1.9
66.01115	0.9
68.99836	1.1
69.21381	1.5
69.21812	1.4
78.34550	0.3
79.99039	1.8
91.51255	0.3
93.03470	1.6
95.01423	0.6
96.99316	0.9
106.00673	0.4
108.02189	0.6
112.98782	0.5
116.02642	2.4
117.03460	39.0
118.03736	1.7
119.01389	0.4
119.05019	0.4
121.02954	1.5
124.98765	1.9
130.04240	3.3
132.02147	0.6
133.02927	0.9
134.03679	0.4
136.98795	0.4
141.03468	1.6
142.04201	0.9
145.02942	5.4
146.03697	0.5
147.00883	4.6
148.73969	0.3
148.98802	1.3
149.99574	8.9
150.99948	0.4
154.04285	1.0
157.02954	1.1
158.03722	20.1
159.04086	0.9
161.02434	8.1
162.02750	0.5
163.03983	0.9
164.98293	0.5
165.01881	0.6
167.05011	0.4
169.02966	1.4
170.03737	4.6
171.04535	0.5
173.02443	1.7
174.03195	2.2
175.00333	5.3
177.99065	23.7
178.99353	0.5
179.96974	4.0
180.97755	3.4
182.03741	1.1
183.04517	0.7
185.02423	23.6
186.03204	53.5
187.03569	3.3
189.01897	0.4
189.39296	0.3
190.02744	0.6
193.01410	22.7
194.01715	0.9
194.99352	2.3
195.04442	0.6
197.02464	2.0
198.03175	2.4
211.03996	1.0
213.01912	8.0
213.05295	0.3
214.02679	10.3
215.03073	0.8
225.01912	1.6
226.02673	1.8
227.03453	0.4
239.03522	1.4
241.01387	5.8
241.05075	0.5
242.02159	14.9
243.02518	1.3
254.02029	0.4
255.02928	0.6
267.02948	6.5
268.03134	0.5
269.00864	3.0
270.01666	37.0
271.02072	2.8
271.19144	0.6
283.02386	1.1
285.04037	6.5
286.04163	0.5
295.02463	6.5
296.02649	0.4
298.01160	86.0
299.01501	7.3
313.03513	100.0
314.03876	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	311.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01381	100.0
60.01714	1.2
71.01381	5.6
71.51838	0.8
72.99306	0.9
73.02943	2.3
78.03740	0.7
82.67174	0.8
83.01379	0.9
85.02954	4.6
87.00880	1.5
89.02451	0.8
93.03472	1.7
96.96005	0.9
98.95582	0.6
99.00881	1.0
101.02460	4.8
113.02480	2.0
119.79261	0.7
121.03032	0.7
125.02451	0.9
135.04521	4.3
136.05289	3.6
137.02437	2.6
149.02460	1.5
149.06059	1.0
151.00372	0.9
151.07680	2.1
160.05309	0.8
161.04579	2.6
166.02698	4.0
171.10283	0.8
173.95650	0.8
187.92041	0.7
195.06618	6.4
207.98331	1.0
224.62216	0.7
269.10269	4.4
276.32214	0.8
310.55978	0.9
311.11362	4.3
311.15195	1.8
320.72336	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23490	0.8
57.03446	1.5
59.01378	100.0
62.83798	0.8
65.74325	0.7
69.03477	1.3
69.78526	5.0
71.01389	6.6
72.50809	0.7
73.02937	3.3
73.48671	0.9
83.01367	2.0
83.05013	0.8
85.02943	5.9
86.80447	1.0
87.00863	1.4
88.79671	0.9
99.00896	1.0
101.02454	5.2
113.02451	2.3
134.03728	1.1
135.04529	4.4
136.05305	4.4
137.02469	1.1
149.02458	2.8
149.06010	1.3
151.07666	2.0
161.04558	3.3
166.02707	3.3
195.06607	7.9
196.56496	0.9
207.98206	1.7
223.00735	2.7
239.12868	1.4
249.11317	1.4
249.14822	1.0
267.12057	0.9
269.10245	5.1
311.11261	6.9
311.14948	3.0
311.29797	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03439	1.4
58.34570	0.6
59.01377	6.4
69.15437	2.1
69.15851	4.7
71.01373	0.8
71.05018	1.0
83.05033	1.6
85.06578	1.2
97.06612	0.9
98.00680	0.6
98.20640	1.6
101.06086	1.7
108.02148	1.3
109.02956	1.2
109.06626	0.8
110.89070	0.6
111.08187	0.7
129.09206	1.6
139.99403	3.9
141.00162	13.1
141.01253	0.9
165.05690	0.7
171.10281	1.9
179.10661	0.8
181.12369	1.2
185.02464	1.7
186.06880	0.9
188.84692	0.6
195.13898	13.2
196.14171	0.7
209.15463	14.8
210.15741	1.3
214.06340	1.4
235.17023	0.8
249.18593	3.8
251.11366	0.7
253.08092	0.6
263.20126	1.0
269.01022	1.3
275.20096	5.8
281.04837	0.6
293.21222	14.7
293.78842	0.7
294.21552	1.3
311.09918	3.5
311.22275	100.0
312.22552	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	311.2229
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
59.01372	3.3
65.01397	1.1
66.98480	1.1
70.83312	3.2
71.01399	1.2
83.16188	1.3
94.41960	1.2
97.06591	1.4
99.08128	3.7
110.49207	1.1
113.09738	3.9
116.94721	1.2
121.10246	2.6
125.09730	1.9
129.09229	2.6
134.14903	1.2
139.11276	14.2
144.64537	1.2
153.09132	1.4
165.12714	1.4
171.10262	24.4
172.10532	1.3
183.01230	1.9
183.13870	1.6
185.11705	1.6
186.06715	1.3
193.12373	4.8
197.11850	1.9
198.59988	1.5
211.13385	6.6
223.34943	1.4
244.66548	1.3
262.09705	1.2
275.20071	1.8
293.21219	28.8
294.21518	3.6
311.16647	2.8
311.22256	100.0
312.22549	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	311.2229
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
57.03436	1.5
57.70935	0.7
59.01367	2.0
59.49289	0.6
69.03456	1.2
71.00345	1.6
79.40872	0.7
81.85040	0.7
83.05022	1.6
97.02958	1.2
97.06556	0.9
99.07569	0.7
99.08160	3.3
113.09720	3.1
121.10226	1.3
125.09723	1.4
127.11269	1.8
129.09219	4.6
139.11281	5.2
141.09201	0.8
151.11304	1.1
163.11356	0.7
165.12886	1.1
167.10805	0.9
167.14375	0.8
169.12337	2.1
171.08798	1.6
171.10268	21.2
172.10635	1.2
180.20285	0.7
181.12328	4.3
183.13922	1.6
185.11795	2.7
193.12357	7.7
197.11812	7.5
199.13354	5.0
201.11322	1.5
211.13393	16.9
212.13756	1.0
249.22192	0.9
265.21829	0.7
275.20218	2.4
293.21213	28.0
294.21548	3.6
307.76868	0.7
310.13770	0.7
311.22269	100.0
312.22623	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.9
59.01377	3.3
69.03455	5.1
69.89592	8.2
93.03461	1.9
94.09554	1.7
98.19987	2.4
111.08132	2.5
119.08651	12.7
123.08150	2.0
123.56950	1.7
125.09693	7.6
127.11353	2.6
135.08186	2.1
137.09720	29.2
139.11267	2.4
151.11220	2.5
155.10793	3.2
167.10738	4.3
169.12238	1.8
171.10260	100.0
172.10620	2.8
183.10257	5.7
185.11832	20.4
186.12088	2.1
197.11839	9.3
201.11287	5.5
211.13364	2.7
213.11269	10.2
229.19354	2.3
273.18521	10.0
291.19696	33.0
309.17328	3.0
309.20694	36.8
309.47092	1.9
310.20807	2.2
313.95309	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	309.2073
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03450	3.2
59.01385	8.6
64.95245	5.3
69.03454	2.9
69.56391	2.6
69.56790	6.9
71.05020	16.2
71.84996	1.4
83.04990	1.9
95.05016	2.4
96.96015	2.8
97.06580	8.1
107.05048	2.3
107.08691	1.4
112.70462	1.2
119.08637	1.6
121.10247	12.7
123.04534	1.7
123.08163	2.6
125.09735	9.7
136.63634	1.1
137.09714	22.9
138.10126	1.8
141.12894	1.8
147.08113	1.5
151.48535	1.2
171.10266	46.4
172.10561	2.1
183.10237	4.7
185.11861	14.9
197.11812	8.2
207.13940	2.0
211.13368	1.6
221.15453	4.7
235.16910	3.2
237.14989	2.3
239.16516	5.3
247.20721	1.6
251.16544	40.3
252.16907	3.7
268.24951	1.3
273.18710	2.8
275.42529	1.3
277.10925	2.2
291.19659	100.0
292.20068	8.2
309.20706	93.7
310.21030	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	311.0596
Annotation	Petasiformin A
Peak:m/z	Relative Intensity
63.05639	0.4
69.35437	1.3
69.35859	2.3
72.60014	0.4
79.95750	2.7
96.96014	9.8
125.15813	0.4
132.05815	46.3
133.06107	2.7
142.03481	0.5
164.04790	17.0
165.05174	1.0
176.04755	2.1
187.11282	72.0
188.11603	6.1
208.03737	0.9
231.10262	100.0
232.10588	7.8
267.06866	2.3
275.60797	0.5
300.31973	0.4
311.05951	23.0
312.06323	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	311.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01347	0.5
69.19672	1.9
69.20101	3.2
79.95739	4.6
96.96009	12.3
132.05811	50.5
133.06139	2.2
135.96974	0.5
164.04788	22.1
165.05084	0.8
176.04791	1.9
187.11276	85.2
188.11630	6.0
208.03770	1.6
231.10242	100.0
232.10551	7.2
267.06934	1.8
311.05939	30.4
312.06396	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	311.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01381	100.0
60.01714	1.2
71.01381	5.6
71.51838	0.8
72.99306	0.9
73.02943	2.3
78.03740	0.7
82.67174	0.8
83.01379	0.9
85.02954	4.6
87.00880	1.5
89.02451	0.8
93.03472	1.7
96.96005	0.9
98.95582	0.6
99.00881	1.0
101.02460	4.8
113.02480	2.0
119.79261	0.7
121.03032	0.7
125.02451	0.9
135.04521	4.3
136.05289	3.6
137.02437	2.6
149.02460	1.5
149.06059	1.0
151.00372	0.9
151.07680	2.1
160.05309	0.8
161.04579	2.6
166.02698	4.0
171.10283	0.8
173.95650	0.8
187.92041	0.7
195.06618	6.4
207.98331	1.0
224.62216	0.7
269.10269	4.4
276.32214	0.8
310.55978	0.9
311.11362	4.3
311.15195	1.8
320.72336	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.6
57.96514	1.8
59.01363	3.1
69.03445	4.8
69.64857	9.1
71.05016	2.7
72.62112	1.9
73.02940	3.2
78.32781	2.2
83.05032	2.4
87.04504	2.8
97.02963	16.6
97.06573	8.8
99.00876	7.3
109.06583	4.9
111.08160	14.5
119.08652	6.0
125.09674	3.5
127.07606	1.9
132.51082	2.5
135.08142	2.2
137.09743	12.9
151.04021	19.9
151.07623	25.3
152.08427	39.2
153.09227	2.7
168.79738	2.0
169.12276	2.3
171.10269	22.4
183.13873	8.4
184.07381	5.8
190.09975	2.9
193.12263	2.4
195.13881	11.1
197.11838	43.2
198.12181	3.6
208.11029	4.2
209.15451	52.5
210.15895	2.9
211.13347	10.9
221.15430	5.7
223.13229	2.0
223.17133	2.6
232.68266	1.9
233.15436	7.1
247.17160	4.3
247.20621	3.0
251.16537	9.2
252.10052	8.8
263.20102	3.7
265.18045	11.2
273.18564	6.1
274.18814	2.0
291.16357	3.2
291.19626	60.8
292.19940	6.3
309.17010	75.8
309.20670	100.0
310.17337	9.6
310.20984	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93632	1.6
57.03440	4.9
59.01368	2.1
60.62408	1.6
63.71147	1.4
67.02914	1.6
69.03458	8.2
71.05023	3.5
71.23270	2.9
78.03369	1.6
81.03488	2.8
83.04199	1.6
83.05024	3.2
93.59615	1.7
95.05054	2.0
97.02943	32.9
97.06595	4.0
104.13129	1.7
109.06593	3.5
111.08134	3.4
118.98070	1.5
119.08700	2.6
124.78229	1.8
125.06064	2.0
125.09707	3.0
137.09741	4.6
164.16664	1.8
165.12814	8.7
171.10242	15.0
179.14490	2.6
181.12364	3.4
183.13928	5.2
183.82603	1.6
193.12344	4.8
195.13878	12.4
209.11848	4.1
211.13353	2.7
221.15459	12.1
223.13504	8.5
223.17055	2.2
227.12825	3.4
233.15427	3.2
239.16505	3.1
244.99280	2.0
247.20747	9.9
251.16574	8.0
273.18658	5.3
291.19659	94.0
292.19943	11.4
309.20703	100.0
310.21170	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	309.2069
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
55.01877	5.1
55.62222	1.6
57.03434	3.5
59.01362	7.3
62.52011	1.9
70.63896	5.3
71.05018	29.8
73.02930	2.2
86.28811	1.7
95.01378	3.5
95.05050	2.2
96.95983	2.9
97.06580	16.5
99.00880	31.8
117.02008	2.6
121.10236	4.0
125.09702	6.2
137.06071	4.4
137.09718	27.2
139.11333	2.2
141.12845	2.7
151.07674	3.2
152.08392	3.1
153.09163	2.1
163.14868	2.1
167.10722	4.7
171.10269	65.1
172.10619	2.2
185.11818	10.5
190.09895	3.3
197.11745	3.4
207.13911	3.8
208.11018	3.5
209.15485	14.7
211.13388	12.0
219.13875	3.7
223.13567	1.9
233.15392	4.7
235.16942	5.9
237.14778	2.5
247.20392	3.0
251.16479	26.9
252.16745	2.3
265.18027	4.8
273.18628	4.3
291.19650	100.0
292.20032	9.7
309.17166	5.6
309.20663	68.4
310.21106	6.7
332.29730	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02613	1.4
57.19760	1.5
59.01372	1.9
66.27528	1.2
69.03458	1.5
69.96246	4.0
69.96666	3.7
71.05021	2.4
71.35014	1.6
83.05009	1.6
97.02968	1.5
98.19979	1.7
109.06619	2.1
111.08165	39.7
123.08237	1.4
127.07652	3.4
130.24396	1.7
137.09669	2.6
165.12808	1.4
169.12294	7.3
181.12314	1.8
181.86349	1.8
183.13864	1.5
194.95374	1.6
197.11827	100.0
198.12128	6.0
199.13397	2.4
209.15497	8.9
211.13348	11.8
223.17023	4.1
227.12807	4.7
233.15477	1.4
246.95988	1.3
247.20656	1.6
247.71556	1.5
251.16512	6.1
263.20221	4.1
265.18039	2.3
273.18460	3.4
291.19696	28.6
292.19910	2.0
309.20706	48.4
310.20999	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63996	1.0
55.72728	1.0
57.03442	1.6
59.01363	1.9
64.91196	1.2
69.03452	1.1
69.54510	1.0
69.77166	5.0
93.07124	1.6
95.62136	1.1
97.36427	1.0
103.31425	1.1
111.08158	32.1
112.08480	1.4
127.07638	2.6
169.12404	6.4
179.10704	1.0
181.12248	2.3
183.13870	1.5
193.12477	1.4
197.11827	100.0
198.12193	7.5
199.13400	4.3
211.13370	9.7
227.12877	2.8
247.20726	1.5
249.61623	1.0
261.52350	1.3
263.20114	8.1
263.67017	1.4
265.18018	1.5
273.18469	1.8
291.19650	17.3
309.17325	1.5
309.20697	35.7
310.21118	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37101	1.0
57.03427	3.0
57.45990	0.9
59.01382	5.7
69.03461	1.2
70.77589	3.0
71.01373	1.1
71.05023	24.0
71.55229	0.9
83.05034	1.9
83.18166	1.3
93.18167	1.1
95.05031	2.9
96.96053	1.2
97.06593	9.2
98.19979	1.2
107.04967	1.4
111.08128	1.1
113.09755	1.0
113.40584	1.1
119.08649	1.8
121.10201	6.7
123.08177	1.7
125.09707	6.5
127.11316	1.7
135.08139	2.4
137.09714	23.7
138.10019	1.4
138.85886	1.1
148.82500	1.0
151.11171	2.0
157.08679	2.5
163.11211	0.9
171.10269	68.5
172.10591	2.9
181.12317	2.4
183.13843	1.5
185.11821	8.7
195.10242	1.2
196.00047	2.0
207.13847	2.6
209.11772	1.3
211.13445	1.0
219.13815	3.4
233.15384	4.0
235.16991	3.2
237.14960	2.9
247.20552	2.2
251.16501	23.9
252.16681	2.1
273.18524	2.9
291.19650	76.2
292.19922	6.8
293.77960	1.1
309.20703	100.0
310.21024	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96450	1.0
57.03445	3.5
58.15477	1.1
59.01371	3.2
67.34203	1.1
69.03443	2.0
70.28094	3.2
71.01404	1.1
73.33823	1.0
77.99485	1.0
80.02680	2.4
81.03465	2.5
83.01389	7.7
83.05026	4.1
95.05047	2.6
96.27380	1.1
97.06609	4.2
99.13517	1.1
100.45705	1.1
109.06605	1.3
111.08210	1.8
123.04537	3.2
123.08145	5.3
125.06081	2.3
125.09695	9.7
139.11298	9.9
155.10872	1.4
161.09744	2.0
163.11293	8.3
165.12830	15.4
167.10767	5.3
168.11436	1.3
171.10240	4.0
173.68266	1.0
179.14433	1.7
181.12340	3.0
183.13910	2.2
185.11842	2.5
191.10814	3.5
193.12317	1.6
193.16032	6.1
197.11760	1.1
207.10223	2.2
209.11838	49.2
209.15446	3.3
210.12195	4.0
211.13309	1.7
226.34621	1.2
230.91492	1.4
247.20668	13.8
248.21138	1.2
263.20175	1.2
265.21710	3.9
273.18591	4.8
281.21237	1.8
291.19659	100.0
292.20032	11.3
309.14993	3.2
309.17322	2.8
309.20654	34.3
310.21161	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05823	4.7
57.72603	3.7
59.01368	11.6
71.52229	5.7
76.23868	4.4
80.02682	17.6
83.05022	36.0
84.02162	13.5
92.76028	3.6
93.03425	4.0
95.01441	4.7
96.96022	8.7
97.06614	6.8
99.00873	5.3
99.08154	5.7
111.08167	9.0
115.07724	5.0
125.09675	10.6
137.09717	68.5
139.11281	14.6
151.03989	14.5
151.07619	19.3
152.08376	15.4
153.09222	9.1
155.10771	56.8
156.11116	4.5
163.68671	4.5
164.87593	4.7
167.10748	6.4
171.10257	75.1
172.64037	4.2
180.57541	4.0
186.23178	4.8
193.12308	35.6
197.11751	10.6
202.99774	4.6
209.15450	30.8
211.13448	10.5
225.96860	4.8
228.83273	4.4
230.66330	5.9
247.20670	12.3
248.95700	4.6
263.20126	10.0
265.18100	7.4
282.33493	4.3
291.16492	3.5
291.19650	94.7
292.20068	7.7
309.16977	42.3
309.20645	100.0
310.21017	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	307.2283
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
54.01016	0.3
57.16243	0.3
59.01369	0.6
68.97072	0.4
69.16046	1.0
69.16464	2.5
71.01374	0.4
96.96022	0.7
98.19918	0.6
113.09697	0.4
121.38209	0.3
128.33633	0.4
191.46693	0.4
209.15315	0.3
213.14941	0.4
270.58154	0.4
275.26306	0.3
277.50781	0.4
307.22769	100.0
308.19522	0.6
308.23080	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	309.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59473	1.4
55.01883	1.4
55.18065	1.3
55.30978	1.7
55.88544	1.3
56.14282	1.7
57.03447	22.8
59.01375	3.2
60.16424	1.3
67.39539	1.6
69.03443	5.5
69.23124	14.7
70.74392	1.6
79.05524	4.3
91.05538	2.6
93.03428	2.3
95.01357	2.3
95.05033	3.8
97.02942	4.3
105.07083	5.1
107.05058	3.9
109.02888	1.6
111.04530	4.0
116.32216	1.5
117.07072	4.3
118.51237	1.6
119.04994	2.3
121.03016	1.6
121.06591	2.5
122.03792	1.9
123.04491	4.5
131.08694	3.5
133.06627	10.5
135.04538	2.3
135.08099	1.7
138.54521	1.7
144.05785	2.3
145.06580	7.3
147.08199	3.4
149.06032	2.1
157.06613	11.9
158.07231	1.6
159.08154	4.6
160.05260	2.7
161.06117	2.1
161.08502	2.3
161.09724	24.2
170.07323	5.9
171.08093	6.8
173.06020	4.1
173.09698	12.5
174.06700	1.9
175.07628	7.8
175.11266	2.8
181.06583	2.2
182.07307	4.6
183.08092	2.1
185.06105	1.9
185.09702	49.4
186.10031	3.7
187.07602	4.6
187.11354	3.0
188.08475	9.1
195.08148	4.3
197.09706	72.7
198.10014	4.3
200.08415	4.1
201.09174	2.1
203.10773	100.0
204.11076	6.8
215.07249	1.5
215.10741	31.3
223.07626	8.0
229.08676	4.6
241.08609	4.6
247.07478	2.1
247.09778	34.2
248.10078	2.6
259.09717	25.9
260.10095	1.8
261.11276	2.7
273.11148	2.3
277.10617	4.3
279.12488	10.0
291.12418	8.4
297.97687	1.6
309.13327	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73204	2.0
57.03434	5.3
59.01378	8.0
68.98231	2.3
69.18098	17.5
69.18520	6.7
71.05067	2.4
80.02677	3.5
81.03461	5.3
81.20990	2.1
83.01395	9.1
83.05043	4.1
87.96616	2.0
93.03354	2.0
95.05002	4.0
97.02948	6.8
97.06581	9.9
109.06571	2.8
121.06657	2.7
123.04514	8.3
123.08152	6.4
125.09726	14.2
137.09692	13.8
156.40598	2.2
163.07634	2.3
163.11264	18.2
165.12740	4.8
171.10188	3.7
174.31158	2.2
175.07176	2.5
179.10704	2.9
181.12309	4.8
185.11769	23.0
189.12666	2.2
191.10693	2.5
191.14413	16.7
207.10236	11.3
209.11798	33.0
211.13332	3.0
225.11308	14.3
245.19089	42.7
246.19336	4.5
263.20178	2.8
271.17065	4.8
287.16721	3.2
289.18100	100.0
290.18448	8.0
294.04858	2.7
307.19128	46.7
308.19437	5.3
326.32938	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63885	0.6
57.03414	1.0
59.01377	3.7
59.13780	0.7
61.78577	0.7
69.03428	0.8
69.29216	3.8
69.29620	1.5
71.01380	0.8
71.05017	6.6
79.92906	0.6
80.02662	1.4
80.81104	0.5
81.03450	2.7
83.05009	1.8
90.42690	0.6
95.05006	1.3
97.06580	0.8
97.36298	0.7
98.03703	1.9
104.93992	0.7
109.06599	14.3
110.06957	0.7
110.72743	0.8
111.04516	6.6
111.08176	1.5
123.08138	1.6
127.07659	3.7
129.32895	0.7
135.04556	0.8
137.06119	1.0
137.09616	0.9
143.10750	1.9
145.06567	2.4
148.96587	0.6
149.09737	1.3
151.11195	1.1
158.06775	0.7
161.11534	0.8
167.10724	2.3
179.10678	1.2
191.10773	0.8
191.14417	0.9
195.13893	2.8
207.17589	0.8
235.13446	1.6
245.19083	5.8
251.16644	1.4
265.18524	0.7
271.17053	1.8
280.29947	0.7
287.16370	3.1
289.18076	100.0
290.18411	11.9
307.10248	1.1
307.15714	1.2
307.19177	14.2
308.19345	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	13.1
59.01376	14.9
69.03464	3.0
71.01375	12.3
73.02940	2.7
83.05021	4.3
85.02920	2.4
94.59219	1.8
95.05012	4.5
96.96008	1.8
97.06590	18.3
98.03714	2.6
102.87209	1.9
106.04252	2.8
108.80161	2.1
109.06583	7.3
111.08164	11.8
123.08115	3.0
125.09693	5.5
135.04558	2.8
135.08076	2.0
137.09711	2.5
138.06844	2.5
141.05563	2.0
149.09726	5.7
151.11273	24.4
153.09227	4.3
153.12880	4.3
155.10768	12.3
161.04604	2.3
163.11278	9.5
165.01936	1.9
165.12840	25.9
167.10745	5.3
169.12308	3.4
171.10260	6.0
173.09747	2.1
177.12860	2.9
179.10794	8.1
181.12338	32.1
185.11794	4.8
191.10834	10.9
191.14429	7.4
204.61118	2.3
209.11836	53.1
210.12096	4.0
211.13342	11.1
224.10683	3.0
229.40880	2.4
235.20705	3.1
245.19052	34.0
246.19376	5.4
248.06410	2.2
260.62198	2.0
261.18753	3.0
263.20184	11.3
271.16956	5.0
279.19696	5.7
289.18100	44.6
290.18460	6.4
307.10452	3.6
307.19150	100.0
308.19370	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25974	2.2
52.44950	2.0
57.03441	6.5
59.01378	18.9
61.98834	6.7
63.42118	1.9
65.03964	67.7
66.04280	3.1
66.11098	1.9
71.01378	3.9
71.05020	34.0
71.52155	3.5
73.02935	2.4
78.95888	2.0
85.02937	2.9
90.83630	1.8
95.05027	1.8
96.96021	4.9
97.06590	77.5
98.06948	2.5
101.02448	2.8
119.08660	16.8
121.06598	100.0
122.06966	5.2
123.08177	4.9
125.09733	46.0
126.09997	2.1
135.04485	4.7
135.08104	2.4
137.09674	5.1
138.03250	7.3
139.02322	3.0
141.12883	2.9
149.06039	2.7
161.02420	5.5
161.04539	4.1
171.10289	4.0
179.03584	3.2
179.98837	9.2
185.11824	87.0
186.12155	5.4
192.99643	2.9
194.00484	8.3
195.01187	16.9
209.02786	6.6
209.11862	31.1
210.03654	2.2
211.13396	33.8
217.12416	2.4
219.13850	2.4
223.04355	2.2
235.13396	83.4
236.13651	5.7
249.14815	2.6
279.19562	6.7
289.18079	25.3
289.50378	2.3
292.07904	2.8
307.10159	8.6
307.15677	5.7
307.19080	42.6
308.19476	3.9
323.90079	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62049	2.2
57.03450	4.1
59.01372	10.5
69.03461	2.2
70.94698	2.4
70.95022	3.9
80.02684	2.9
81.03454	4.9
83.01376	5.4
83.05036	5.2
85.02976	1.8
95.05008	4.9
97.02952	6.0
97.06583	6.5
107.05067	2.4
108.02156	2.4
113.06176	2.1
121.06604	4.4
123.04521	10.3
123.08160	4.1
125.09710	20.5
133.68823	2.2
135.08180	4.7
137.09720	12.6
141.12891	2.3
141.68211	2.1
149.06059	3.5
151.11214	2.3
161.04515	2.5
163.11278	15.5
164.08443	2.3
167.10783	3.0
171.10289	2.7
177.12775	1.9
181.12321	3.4
183.08144	2.2
185.11813	24.3
191.10834	2.4
191.14407	23.0
191.70277	1.8
207.10185	12.6
209.11842	29.6
217.15738	1.8
225.11179	9.0
245.19083	41.4
246.19414	3.7
261.18582	2.2
271.17035	3.8
289.18094	100.0
290.18433	11.2
307.15622	4.1
307.19122	58.9
308.19296	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1398
Annotation	NSC-224070
Peak:m/z	Relative Intensity
50.47314	0.6
51.68924	0.6
52.14195	0.7
55.01870	1.0
55.27610	0.7
55.75346	0.8
56.88617	0.8
58.00588	1.5
59.01379	51.5
69.79329	4.6
71.01381	26.6
72.99326	1.8
73.02939	1.8
79.95730	1.0
80.96507	1.1
81.73163	0.7
83.01380	2.1
83.05003	0.9
85.02943	7.6
87.00868	1.8
89.02445	20.2
95.01382	2.2
96.96017	4.3
98.19843	0.8
99.00895	0.8
99.08156	25.2
101.02443	17.2
113.02452	9.6
119.03509	7.6
127.07656	4.6
129.09230	2.9
135.04526	2.5
141.09222	1.9
145.08704	70.6
146.09032	2.0
149.06046	1.3
179.03500	1.8
179.05688	1.0
180.37726	0.8
187.09760	1.9
207.53259	0.8
219.61505	0.7
307.13989	100.0
308.14297	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92118	1.0
54.25726	1.0
55.01888	1.5
57.03452	2.0
58.00602	2.1
58.49009	1.0
59.01378	100.0
71.01383	35.4
71.05022	1.3
71.51982	1.9
72.99306	2.8
73.02946	10.9
79.95723	6.0
80.96513	5.9
83.01394	2.6
85.02946	9.9
85.06589	1.5
87.00874	1.6
87.04559	1.1
89.02447	18.7
95.01389	2.6
95.72346	1.0
96.96000	6.6
98.95605	1.3
99.00875	2.1
99.04569	1.2
99.08173	1.5
101.02440	22.0
111.24845	1.1
113.02435	10.3
119.03488	7.6
120.49690	1.0
120.99663	25.0
125.02431	1.1
127.07647	5.9
128.03662	1.1
129.09291	1.6
131.03474	2.0
133.02956	2.0
134.03712	2.4
135.04523	41.6
136.04857	2.3
143.04675	1.7
144.04944	1.3
145.08723	8.6
149.06059	1.2
161.02454	6.3
161.04518	5.7
175.04022	1.3
175.09746	21.3
176.10098	1.2
179.03493	43.9
180.03876	1.3
219.10619	1.4
265.12921	9.8
307.05026	2.4
307.08749	12.2
307.14001	65.8
308.14386	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.8
57.03428	8.2
59.01358	11.3
65.03645	3.4
65.03963	58.6
69.03455	3.7
70.48111	8.5
71.05032	35.1
80.02678	2.6
83.05016	13.3
87.47409	2.7
89.89624	2.4
91.05514	3.7
93.03439	13.3
93.25954	2.9
95.05023	4.4
97.06590	66.0
98.65961	2.6
105.03421	4.1
109.06548	2.5
117.07121	13.9
119.04969	3.9
119.08672	36.3
121.06593	100.0
123.08144	8.1
125.09724	54.5
133.06575	3.6
135.08154	64.7
137.09619	7.8
138.06851	3.6
139.02188	4.2
161.02412	16.4
163.99342	3.3
165.00194	5.9
171.10269	47.7
178.98033	3.9
179.01692	9.1
179.98853	23.0
185.11813	80.2
192.99648	14.0
194.00378	20.1
195.01166	40.4
205.15942	4.9
207.01152	9.3
208.01869	5.1
209.02760	20.5
209.11821	40.8
210.03513	6.5
211.13397	42.2
212.13608	2.6
221.15594	3.1
222.03485	11.7
223.04378	3.4
231.13847	4.1
233.15453	10.1
235.13376	94.0
236.13658	6.1
245.19130	6.6
249.05875	7.8
249.14951	17.9
251.16449	4.8
261.18671	2.9
263.07388	6.2
271.16922	5.8
278.09741	7.6
279.19476	5.2
289.18082	85.2
290.18402	7.4
292.07822	4.9
292.83212	2.6
307.10068	23.2
307.19138	62.1
308.19635	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	307.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16333	9.8
54.19772	8.0
56.75026	8.3
59.01164	8.5
59.01389	100.0
69.53640	7.5
70.63639	20.8
74.15332	7.9
87.74816	8.1
125.09715	12.2
135.04471	10.0
161.02396	18.7
178.98058	9.9
179.98840	26.4
194.00504	53.1
195.01202	38.9
196.56549	8.0
209.02646	40.2
235.13214	8.3
265.55881	8.8
289.18085	22.8
307.10095	27.5
307.19058	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.5
58.00594	1.0
58.68954	0.6
59.01379	16.5
61.98822	1.4
69.03453	1.1
69.71111	1.3
69.71525	2.7
71.01008	0.8
71.01382	9.7
71.05028	7.0
72.99302	0.8
73.02943	7.8
77.59138	0.6
77.91340	0.6
79.95735	4.6
80.96512	2.8
83.05042	3.6
85.02953	2.7
85.06593	7.0
87.00877	0.7
87.04047	0.7
87.04499	4.0
87.08138	0.8
89.02442	2.4
93.03454	0.8
95.05013	2.0
96.96005	5.3
97.02957	1.4
97.06581	4.3
99.04516	1.6
99.08146	2.2
101.02431	3.0
101.06080	4.5
107.05037	1.0
108.02276	0.7
109.06589	4.3
111.08169	5.2
113.02466	0.9
113.06069	2.0
115.04008	3.3
115.07643	9.6
123.08172	2.7
125.06091	8.2
125.09691	1.4
126.06465	0.7
127.07639	2.8
129.09235	2.0
133.00443	0.6
133.85498	0.6
135.04532	15.5
137.02440	4.8
137.09692	0.7
139.07658	1.1
141.05605	0.8
141.09210	0.7
143.07149	4.2
143.10803	1.1
145.05057	3.3
145.08708	24.1
146.09041	1.6
150.03244	1.1
152.04788	5.6
153.09279	1.5
155.07161	1.0
155.10722	1.3
159.06654	3.7
159.10240	5.6
161.02402	1.3
161.04524	1.3
165.05559	1.4
167.07135	6.5
173.08191	0.7
175.06180	0.8
179.03502	14.5
192.89856	0.6
209.15439	1.0
227.09213	3.2
245.17552	1.8
265.12836	0.7
289.16553	18.3
290.16974	1.7
307.04858	10.7
307.08392	4.0
307.14307	3.6
307.17599	100.0
308.17975	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.8
68.99800	0.8
69.66626	3.3
71.01383	35.5
72.99296	0.8
74.02467	1.9
79.95738	5.1
80.96528	4.7
85.02943	2.0
87.00854	0.9
88.42577	0.8
89.02417	3.7
96.96010	9.9
98.20552	1.3
99.00877	9.1
99.05682	0.9
101.02434	2.6
113.02441	1.2
116.92858	1.0
119.03524	1.3
120.99659	100.0
121.99910	1.4
128.03525	2.0
129.01947	0.8
131.03517	10.9
132.02161	2.6
135.04518	9.4
135.45795	0.8
136.07677	0.9
143.04619	1.0
144.05002	1.1
157.01405	7.7
160.01688	3.7
167.98843	1.0
168.99551	1.4
175.03967	12.0
176.04367	1.2
179.03468	8.9
194.29193	0.9
204.31833	0.8
212.01492	10.3
227.03816	8.0
236.35806	0.8
240.46301	0.9
243.62204	0.8
255.08165	1.0
306.99457	4.1
307.08398	8.4
307.14053	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	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96721	0.4
60.20626	0.3
69.72424	1.0
69.72830	0.5
72.54324	0.3
74.99067	7.3
75.96204	0.4
91.02222	2.6
93.00142	1.3
143.05316	0.5
144.41356	0.4
149.00938	3.8
159.08466	7.6
161.06389	1.3
192.98143	0.8
206.99678	2.1
209.01257	2.7
211.10300	0.3
217.07300	0.8
223.02824	52.8
224.02849	5.0
241.03987	0.6
275.05801	0.5
289.07593	2.1
291.09091	100.0
292.09213	11.2
292.77490	0.3
307.12231	2.1
307.19171	0.4
309.10117	1.0
316.44159	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74482	0.4
59.01362	0.8
62.01270	0.4
74.99067	6.3
91.02213	3.2
93.00127	1.7
130.81935	0.5
143.05353	0.5
149.00938	3.1
159.08450	6.7
160.08487	0.5
161.06384	1.6
192.98114	0.6
206.99768	1.4
209.01236	2.3
217.07262	0.8
223.02823	51.9
224.02872	5.1
241.03880	0.8
289.07462	0.9
291.09082	100.0
291.38364	0.4
292.09216	12.5
307.12317	3.0
307.22455	0.5
309.10229	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50443	4.0
54.25262	3.6
57.03454	20.5
59.01373	12.9
60.57114	3.7
63.78818	3.8
65.03964	4.9
66.91618	4.8
68.99806	14.6
69.03452	18.0
71.01382	8.6
71.52695	4.0
81.03433	8.4
83.01363	6.5
83.05034	5.2
85.02898	4.4
93.03448	6.4
96.96026	9.1
97.02936	37.6
107.05033	6.8
108.02193	5.4
109.02991	5.0
115.05531	5.1
117.07110	11.1
119.05026	17.9
121.02941	8.2
121.06554	6.3
122.03809	5.5
123.04536	16.7
125.02421	5.3
129.07117	7.3
131.04990	11.2
131.46666	4.5
133.02946	6.4
133.06584	5.5
134.03699	8.5
135.04553	42.0
141.07141	5.1
143.05016	19.0
143.08679	7.0
145.06561	6.2
147.04507	13.7
147.08188	7.1
149.06120	7.1
150.03264	5.9
151.03990	8.6
153.07091	7.9
155.05011	5.1
156.05800	9.9
157.06601	16.7
157.10156	6.4
158.07288	4.6
159.04483	13.2
159.08150	19.1
159.81799	4.2
161.02448	8.2
161.04610	10.3
161.06070	11.6
162.06841	4.6
163.04012	6.5
164.08458	4.2
165.05582	7.2
165.07036	5.9
168.05742	6.3
169.06572	17.8
171.04547	5.4
171.08162	28.0
172.05283	8.0
173.06056	29.9
173.09674	7.7
173.55402	4.5
175.03993	10.7
175.07649	17.7
176.04607	4.8
177.05574	7.8
178.02725	4.0
178.97900	5.8
179.03461	11.4
179.98848	21.0
181.06563	8.1
183.08168	38.9
185.06114	9.2
185.09663	21.1
186.06856	16.9
187.03972	17.9
187.07622	12.9
187.11267	7.8
188.08354	6.9
189.09238	6.9
195.08134	41.0
197.06024	17.7
198.06844	9.9
199.07611	10.4
201.09175	100.0
202.09511	7.6
203.07103	15.1
203.10776	15.1
205.08763	5.9
209.06009	6.3
211.07581	13.0
212.04842	5.1
213.09196	93.1
215.07152	9.1
217.05141	6.5
218.08871	4.1
227.07132	19.4
229.08716	30.5
231.10252	81.6
232.10660	5.6
233.08257	7.1
239.07132	26.6
245.08179	78.8
246.08641	7.9
247.09624	5.8
257.08170	40.0
263.12866	7.2
275.09244	90.2
275.12015	3.9
276.09424	5.9
277.05380	16.4
277.10828	9.5
292.07703	7.0
307.11765	37.5
307.15540	8.0
307.19016	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	307.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.1
69.78205	2.8
76.94949	0.5
79.95739	23.6
80.96490	0.6
93.14600	0.5
96.96016	3.9
101.03410	0.5
109.02943	2.2
118.35072	0.5
123.17060	0.5
135.03613	0.8
135.04543	7.9
137.02440	42.7
138.02773	1.5
139.57593	0.5
150.03217	3.8
151.03986	0.9
152.04788	57.7
153.05118	3.1
165.05542	5.3
166.02766	0.7
167.07130	63.5
168.07480	4.3
179.03506	7.3
184.03780	7.1
188.68231	0.5
193.04958	0.7
197.04648	1.2
212.06860	5.9
227.09236	37.1
228.09583	2.2
292.02582	2.1
307.04922	100.0
308.05280	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	307.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02190	1.5
50.33694	1.4
53.98767	1.4
55.53536	1.3
57.03450	15.7
61.57211	1.4
65.52298	1.4
68.99796	1.7
69.97005	1.3
70.11350	6.3
77.89124	1.3
79.05545	2.4
79.41697	1.5
79.46472	1.3
91.05539	3.1
95.05039	2.7
107.05057	1.8
109.02955	2.2
117.03464	2.0
117.07099	1.8
121.02933	2.2
121.91163	1.5
130.04274	1.6
131.04968	1.7
133.06528	2.0
135.04494	2.6
143.05032	10.3
144.05789	6.9
145.06609	2.9
155.08630	10.6
156.05818	3.6
157.06558	6.6
157.10225	1.6
159.08157	13.1
160.05194	1.6
161.06055	6.6
167.05014	2.3
167.08638	5.2
168.05797	8.2
169.06551	2.6
170.07320	2.7
171.04448	3.6
171.08163	14.5
173.06123	2.5
173.09695	3.4
180.05847	8.6
181.06578	10.3
182.07433	2.1
183.08153	80.9
184.08470	3.4
185.06046	6.5
185.09671	4.2
186.06848	8.1
187.03934	2.6
187.07581	2.8
195.08159	56.7
196.05249	3.6
196.08571	2.2
197.06094	3.7
198.06895	8.4
199.03949	2.0
199.07599	8.5
201.09207	36.3
202.09544	3.1
210.06836	1.6
211.07614	14.5
212.08047	2.2
213.05692	2.2
213.09209	35.8
214.06313	3.7
214.09621	2.2
215.07001	3.7
216.07761	2.4
224.04755	1.9
227.07088	16.1
229.08705	4.6
231.10271	12.3
233.11751	5.1
239.07127	32.4
240.07465	4.0
242.05754	2.1
245.08182	67.2
245.11919	3.4
246.08459	5.4
257.08191	73.2
258.08542	5.3
263.12961	4.7
275.09256	100.0
276.09616	6.8
277.10757	6.5
289.10831	16.0
292.07727	1.7
307.11862	31.0
308.12244	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	305.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	2.1
59.01377	0.8
69.03419	0.5
71.01379	0.7
71.05032	1.3
71.52840	0.7
73.02938	3.1
79.05534	1.0
83.05039	3.2
85.02934	0.6
85.06613	0.6
87.16421	0.5
95.05051	0.7
97.06611	1.3
97.36323	0.5
104.39281	0.5
105.03477	0.7
107.05006	0.5
107.79013	0.5
109.06605	0.8
109.51511	0.5
113.02453	3.5
123.04486	0.5
125.06071	2.4
126.72767	0.5
132.02176	1.9
133.02927	3.2
134.03796	2.0
134.54219	0.6
135.04512	2.8
135.08157	0.7
136.05298	1.1
137.02441	1.6
137.06041	0.8
139.07629	0.7
147.04515	5.2
147.08144	1.4
148.05307	6.0
149.06093	2.6
150.06856	0.8
151.07579	0.8
159.04539	0.8
160.05261	2.6
161.02429	0.9
161.06110	2.4
161.09721	2.0
162.06863	41.6
163.07530	3.7
164.08417	3.0
173.06064	2.0
174.06851	9.4
175.07626	15.5
176.08421	12.9
177.01984	0.9
177.09129	2.2
178.02704	4.2
179.03523	0.8
186.06912	1.0
187.04074	1.0
187.07649	2.3
188.08459	3.3
189.09203	19.5
190.09927	6.5
191.03439	1.2
191.10764	14.2
192.11215	0.8
193.12273	0.9
197.09752	0.7
199.07660	4.2
201.09192	8.5
201.12810	1.0
202.09964	12.6
203.03589	0.8
203.10783	5.0
204.11493	2.9
205.12315	1.1
213.09219	1.5
213.12897	2.1
213.14919	1.2
214.09898	0.9
215.10719	3.4
215.14319	0.7
216.11536	59.6
217.12016	6.4
218.13124	1.5
219.13895	6.8
227.10748	1.1
228.11488	0.9
229.12320	1.6
230.13028	2.8
231.13881	100.0
232.10959	0.8
232.14232	8.0
233.11649	0.7
234.12587	0.6
238.09995	0.7
239.10834	3.2
245.11839	3.3
246.05344	2.4
246.12300	0.8
247.13344	1.9
249.14955	0.6
252.11710	0.8
253.12306	1.7
254.13074	4.9
257.15414	1.7
260.14117	3.1
261.03244	1.4
261.15262	2.6
264.13599	1.2
267.13852	1.6
269.15442	9.6
270.15704	0.7
272.14105	1.5
275.16562	5.4
287.16486	6.7
288.17014	0.7
290.04352	2.1
290.15247	3.4
305.06598	4.5
305.14383	3.4
305.17548	59.0
306.07410	1.5
306.17807	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2485
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
57.94054	0.4
58.93944	0.4
59.01387	0.4
60.56850	0.3
61.19737	0.3
71.01376	0.5
71.13029	0.4
78.56819	0.4
98.19865	0.9
103.22441	0.5
131.51151	0.4
143.51346	0.4
232.97273	0.5
249.76285	0.4
303.23196	0.4
305.24835	100.0
306.25156	10.9
329.75412	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.9757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07299	0.6
53.93962	0.6
54.05649	0.6
59.01380	1.3
61.98829	100.0
62.98536	1.0
63.99263	1.7
67.29903	0.6
71.50420	0.9
72.99345	0.8
73.85316	0.6
96.96043	0.8
120.94492	0.9
131.83257	0.5
134.96130	2.4
136.94023	4.6
151.92728	0.9
161.98952	1.6
162.99030	2.5
163.98663	4.0
164.96387	44.6
165.96463	2.3
178.95097	6.3
192.59792	0.7
205.00262	0.7
206.97438	19.3
207.97586	1.2
210.91051	0.6
218.93170	0.7
249.78835	0.6
255.85858	1.0
257.22064	0.7
276.86710	0.9
306.94315	1.3
306.97589	10.4
307.00336	2.6
307.97769	2.1
316.84564	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1759
Annotation	Corrin
Peak:m/z	Relative Intensity
56.27304	0.3
59.01374	0.4
61.21654	0.2
64.82382	0.2
70.99909	0.8
71.92371	0.3
96.96026	0.4
97.70094	0.3
108.02170	0.3
158.85327	0.3
166.95000	0.3
201.05751	0.2
261.18533	0.4
305.17569	100.0
306.08917	0.3
306.17908	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	305.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03561	0.6
54.33156	0.5
57.03445	2.3
58.19542	0.6
59.01379	0.7
70.22842	1.4
70.23232	1.1
73.02943	2.9
83.05029	3.9
85.06535	0.5
97.06602	2.1
109.06577	1.1
121.06575	0.5
122.03747	0.7
125.06068	1.3
134.03773	0.9
135.04506	1.7
135.08160	0.8
139.07658	1.2
147.04559	3.4
147.08147	2.1
148.05284	5.9
149.06036	1.9
150.06880	1.1
160.05275	3.0
160.56653	0.6
161.06081	3.5
161.09697	1.0
162.06863	42.2
163.07516	2.9
164.08395	3.9
173.06049	1.3
174.06859	7.8
175.07643	14.9
176.08423	12.7
177.09157	1.9
185.48730	0.5
186.06897	0.7
187.07663	2.1
188.08403	3.3
189.09212	18.0
190.09987	7.5
191.10777	13.0
192.11122	1.0
198.01720	0.6
199.07643	3.4
201.09198	8.6
202.10005	12.8
203.10741	5.0
203.14441	0.6
204.11493	2.5
205.12280	1.6
213.09232	1.8
213.12839	2.4
214.10022	1.2
215.10727	2.1
215.14375	0.9
216.11546	58.5
217.12056	5.5
218.13000	1.5
219.13921	6.9
225.12775	0.6
225.16483	1.2
227.10701	0.8
229.12314	1.8
230.13068	2.1
231.13901	100.0
232.11345	1.1
232.14214	8.8
238.10228	1.0
239.10773	2.9
245.11841	2.1
246.12567	0.7
247.13377	2.0
252.11682	0.7
253.12302	1.4
254.13107	5.2
257.15561	1.4
260.14139	3.5
264.13651	1.8
267.13806	0.8
269.15451	9.0
272.14099	1.8
275.16516	6.5
276.16724	0.7
282.22781	0.6
287.16583	8.4
288.17245	0.6
290.15237	4.4
291.15271	0.6
305.17569	50.9
306.17850	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	305.1759
Annotation	Corrin
Peak:m/z	Relative Intensity
55.01865	1.2
57.03433	1.9
59.01355	2.5
65.03949	3.6
69.03435	1.0
69.48083	4.8
71.05037	6.9
79.05533	14.1
82.67574	0.8
83.05012	1.4
86.47556	0.9
93.03458	1.1
95.05009	2.1
97.06067	1.0
97.06595	12.9
98.20631	1.6
100.30078	0.7
106.04238	9.0
107.05000	2.3
109.06570	2.8
117.07059	1.4
119.04992	1.8
120.05820	6.4
121.06586	1.8
123.08165	6.2
125.09717	16.2
126.10053	0.8
133.06587	1.8
135.08159	100.0
136.08467	5.0
137.09731	1.7
149.06145	1.2
151.11273	3.3
161.06097	0.8
161.09665	1.1
162.06868	1.2
163.11244	1.0
183.10229	1.2
185.11816	1.7
189.12825	2.0
205.04980	0.8
205.15974	5.5
206.04745	0.9
207.10248	2.6
209.11810	1.4
213.93936	1.0
221.11777	1.5
231.13936	1.0
233.11771	1.5
235.13269	1.0
247.13229	1.2
248.13675	0.9
249.14934	43.9
250.15282	3.4
263.16412	2.3
269.15366	1.2
273.92343	0.9
276.13513	0.8
287.16553	7.4
305.08344	1.8
305.13998	3.7
305.17511	70.0
305.21115	19.1
306.17871	6.7
306.21426	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	305.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.4
68.73292	0.5
69.03450	1.4
69.78853	3.0
73.99082	0.5
77.64536	0.4
78.61596	0.4
79.95740	0.5
80.96512	0.7
83.05029	8.8
84.56747	0.5
96.10723	0.4
96.95975	0.8
109.06595	3.1
111.08157	74.3
112.08461	2.9
120.99630	0.7
129.09229	4.4
131.03488	0.6
136.21451	0.6
173.08177	100.0
174.08530	4.2
175.72569	0.5
191.24463	0.5
199.28691	0.5
217.09003	1.0
305.12518	11.8
306.12595	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
59.20325	0.3
60.99307	0.5
64.91057	0.4
67.01877	0.6
69.03452	1.0
69.12946	0.3
71.01381	0.6
71.53654	0.3
73.02968	0.3
76.85274	0.3
79.95722	0.8
80.96480	0.4
87.00890	1.5
93.03465	4.0
96.95986	0.6
111.04478	0.3
113.09757	2.1
115.08797	0.4
120.99681	0.7
127.11289	3.4
131.03479	0.4
133.02953	2.3
134.03773	0.6
135.04466	1.9
145.38913	0.3
164.04799	0.8
171.10245	0.3
173.04565	1.3
173.11816	100.0
174.12152	5.1
176.03964	0.7
177.01917	0.8
178.02690	0.9
179.03551	1.5
179.07159	1.0
183.10257	0.5
191.00438	0.6
217.08974	0.4
224.61552	0.3
250.01811	1.1
262.43372	0.3
266.38208	0.3
305.04898	1.1
305.10773	0.6
305.16016	6.2
305.55112	0.5
306.16370	0.4
315.79733	0.3
320.21884	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03443	1.9
59.01379	21.7
60.29999	0.5
64.51110	0.5
69.03457	1.6
71.01376	7.3
71.05018	1.4
71.51736	0.6
72.60828	0.4
72.99297	1.0
73.02935	4.6
74.02486	0.8
79.95732	6.2
80.96036	0.5
80.96518	10.4
81.03462	2.0
83.05033	1.1
85.02947	6.9
85.06586	16.9
87.00881	1.4
87.04507	3.2
88.04045	2.1
89.02443	4.2
95.01425	0.6
95.04999	0.7
96.96008	14.3
97.02937	1.2
97.06583	1.8
99.04518	3.0
100.48321	0.6
101.02438	3.8
101.06093	1.4
109.06614	0.6
110.97589	0.5
111.04520	7.9
111.08157	7.0
113.02457	2.1
113.06062	1.9
115.00376	1.0
115.03997	2.9
115.07649	0.7
119.03511	2.0
120.99682	0.7
123.04503	0.8
125.02486	0.6
125.06034	1.1
127.04001	0.6
127.07655	1.0
129.05580	100.0
130.05898	3.0
131.03514	1.1
132.02167	0.8
132.03032	1.6
133.02946	3.1
135.04532	3.0
136.01656	2.1
138.05597	0.6
139.04010	0.7
141.05566	0.7
143.03456	0.5
143.04568	0.9
143.07141	1.0
144.04544	1.3
145.08696	0.9
146.06116	2.0
149.02434	2.1
149.04509	3.3
150.03224	8.6
151.00395	0.7
151.04079	2.4
155.07091	2.6
161.04640	0.7
165.01924	0.6
165.05573	8.7
166.02722	2.2
166.05922	0.7
173.08177	30.8
174.08528	0.9
177.01964	1.2
178.02715	4.5
179.03273	0.8
181.05049	0.8
183.10265	0.5
189.06691	2.2
193.05141	2.3
195.02942	1.1
201.11374	0.5
210.05293	1.3
217.14391	0.9
223.09669	0.8
225.07692	8.5
225.11174	2.6
257.14023	1.5
261.08765	1.0
284.32141	0.5
285.63489	0.5
287.15057	2.0
305.03378	11.1
305.07040	16.0
305.12396	10.2
305.16080	11.7
305.19559	0.5
306.03796	0.7
306.07413	1.1
306.12946	1.1
306.16507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1965
Annotation	Caribenol B
Peak:m/z	Relative Intensity
55.67604	0.4
58.02966	0.9
59.01390	0.9
61.98808	0.6
69.43352	3.7
93.50621	0.5
99.92626	0.7
168.13977	2.9
176.79990	0.5
197.59877	0.5
202.99886	0.6
246.90137	0.6
272.85068	0.6
289.18552	0.6
303.00595	1.1
303.19644	100.0
304.19995	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	303.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98785	0.2
63.65836	0.2
69.23235	1.7
80.80834	0.2
83.05014	0.2
83.90839	0.2
99.92626	0.2
107.84316	0.2
121.06590	0.4
149.06105	0.5
162.06819	0.2
175.07620	0.2
189.09158	0.3
251.56432	0.2
259.16995	0.7
259.79550	0.2
270.37625	0.2
275.12860	0.4
278.06055	0.2
303.19626	100.0
304.19958	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	304.0011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23539	0.2
59.01382	3.1
60.01694	0.3
61.98830	100.0
64.84581	0.2
69.33074	0.2
69.86073	0.8
69.86485	0.5
73.25935	0.2
80.97529	0.2
114.31161	0.2
114.43489	0.2
117.02308	0.3
159.01466	0.5
160.01642	1.0
161.01157	1.6
161.98946	20.1
162.99020	1.2
203.99965	4.3
205.00186	0.3
209.56625	0.2
261.99094	0.4
303.22391	0.7
304.00034	11.5
304.99908	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00736	0.4
55.64465	0.3
55.64768	0.3
58.02974	42.9
59.03301	0.6
66.14165	0.4
66.93243	0.3
70.82835	0.7
71.72520	0.3
72.06185	0.4
78.68983	0.3
81.23934	0.3
154.86668	0.4
168.13931	100.0
169.14282	5.4
169.63699	0.4
212.12932	3.2
248.22729	0.3
253.44705	0.4
267.92212	0.4
290.51221	0.4
304.19604	1.5
315.00452	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66032	0.6
59.01361	3.6
60.51166	0.7
60.88553	0.7
70.35877	2.1
71.01391	6.6
73.02946	43.8
74.03307	0.6
83.00711	0.6
87.00881	12.8
89.02442	23.3
93.03471	1.3
99.00887	5.0
100.76535	0.7
102.94419	1.4
103.04006	5.3
108.90211	2.5
110.07815	0.7
110.89908	2.9
111.02013	0.9
115.00349	1.5
117.01942	100.0
118.02280	2.5
131.03491	1.5
132.94611	0.8
133.01454	2.8
149.04552	78.2
150.04918	2.4
152.95961	1.1
154.97530	5.1
172.97630	0.9
173.04549	1.4
178.18758	0.8
194.13879	0.7
200.89507	2.5
224.11559	0.7
228.90819	2.4
228.97536	3.5
228.99867	1.0
230.90573	2.7
263.40942	0.7
305.02780	1.7
306.08875	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	305.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13215	0.5
50.17559	0.5
56.66004	0.5
58.99609	1.3
59.01378	37.7
60.01698	0.6
69.03434	0.6
71.01380	2.0
71.52097	1.0
73.02940	1.1
77.01170	0.6
79.95727	6.3
80.96516	16.3
83.05048	0.6
85.02949	1.3
87.00864	0.9
89.02429	1.1
96.96009	100.0
97.06562	0.8
99.04517	0.7
101.02459	1.2
102.98600	3.7
111.08142	1.0
113.02433	1.0
120.99685	1.5
127.07654	0.7
133.02957	1.0
135.04533	0.9
135.08093	0.6
138.05621	0.8
143.04659	0.7
147.08105	1.2
150.94298	0.6
155.07193	1.0
173.08183	7.3
175.07924	0.8
225.11307	17.2
226.11635	1.0
231.11607	0.6
246.44142	0.5
261.07623	1.0
263.11459	0.7
287.15106	0.7
305.03702	2.5
305.07031	54.1
305.10651	14.6
305.15958	1.2
306.07227	2.5
306.10776	1.2
309.61395	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99601	1.1
59.01380	38.7
69.68656	2.6
69.69062	1.2
71.01380	1.6
71.04996	0.5
75.70746	0.5
79.95736	5.4
80.96518	15.7
85.02956	1.3
87.00864	1.5
87.04587	0.6
89.02416	0.7
96.96014	100.0
97.06612	0.7
101.02447	1.2
102.98595	3.8
111.08186	0.9
112.23579	0.5
113.02410	0.8
113.06021	0.6
115.92099	0.6
120.99666	0.8
128.03552	0.6
135.08221	1.1
138.05595	0.6
143.04620	1.3
147.08145	1.1
155.07188	0.9
161.04547	0.8
165.09233	0.6
173.08186	5.1
177.71025	0.6
179.04655	0.7
195.02896	0.7
225.11307	20.8
226.11722	1.1
305.03613	2.1
305.07068	61.0
305.10678	11.9
305.16196	1.6
306.07254	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	303.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02962	0.7
69.58332	3.7
86.45638	0.6
98.20622	0.9
99.92563	0.6
125.89568	0.5
142.60791	0.6
160.07948	0.7
164.93987	0.6
168.13933	0.9
197.39090	0.5
246.08867	0.7
257.87875	0.5
303.19629	100.0
304.20004	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	303.1964
Annotation	Caribenol B
Peak:m/z	Relative Intensity
59.01373	0.2
61.62595	0.2
68.57761	0.2
69.78115	1.0
83.05035	0.3
83.32312	0.2
127.00343	0.5
161.09676	0.6
175.04001	0.2
176.04733	0.4
204.04294	0.2
259.20459	0.2
275.12848	0.9
303.19626	100.0
304.19958	10.6
304.23471	0.4
314.78726	0.2
323.35971	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93576	0.3
69.71503	1.5
90.51631	0.3
122.03745	0.5
134.03687	0.5
148.05257	0.4
149.06079	1.9
150.03212	1.0
155.08624	0.3
159.04497	1.8
161.06003	0.5
162.06830	0.7
171.08110	0.8
173.05968	0.6
174.06818	1.0
175.03967	1.1
176.04787	4.0
177.05374	0.3
188.04742	0.7
188.08397	0.7
189.09216	2.0
199.07626	0.6
202.06322	0.5
204.04282	3.5
205.04944	0.3
217.05063	0.3
217.08694	1.3
232.10954	0.5
247.13385	0.4
275.12836	2.8
276.13168	0.3
303.12506	6.9
303.19614	100.0
304.12729	0.7
304.19955	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1965
Annotation	Caribenol B
Peak:m/z	Relative Intensity
58.02966	0.5
59.01369	0.3
61.98816	0.2
70.53174	0.8
79.81099	0.2
86.37265	0.2
99.92602	0.3
168.13965	1.4
259.20285	0.2
285.18454	0.3
303.19626	100.0
304.19989	10.6
326.41824	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1965
Annotation	Caribenol B
Peak:m/z	Relative Intensity
57.50388	0.3
61.23559	0.2
65.27960	0.2
70.31835	0.8
119.24947	0.3
120.10028	0.3
138.70352	0.3
155.94966	0.3
185.30731	0.3
215.91214	0.3
235.10762	0.3
290.23450	0.3
303.19638	100.0
304.19989	11.0
304.23480	0.5
309.71716	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	16.1
59.01379	61.5
69.03452	3.9
69.23660	14.4
71.01386	8.6
73.02937	9.5
83.01417	1.6
89.02438	3.4
101.02437	4.6
104.54163	1.5
111.08135	2.2
113.02449	2.7
131.03551	1.8
149.04567	2.0
167.10713	3.1
167.49142	1.7
171.10268	100.0
172.10590	5.5
178.01013	1.5
185.11798	15.1
229.10852	1.8
231.06509	2.5
246.43089	1.8
257.07059	1.8
262.91220	1.6
268.40149	1.5
272.09598	2.0
303.05231	2.2
303.09003	2.8
303.14478	12.2
303.22083	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	303.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83455	0.7
55.99778	0.7
57.03446	19.3
59.01379	7.9
69.03458	1.9
71.01378	12.6
71.52322	1.2
73.02939	1.0
85.02897	0.6
87.00945	0.9
99.28248	0.6
101.02450	0.7
101.06066	2.0
102.17925	0.6
111.08144	3.3
131.03534	1.4
145.78021	0.6
171.10260	100.0
172.10567	4.4
179.25385	0.8
205.05032	3.0
231.06607	7.5
303.05276	1.3
303.08780	3.5
303.14459	6.6
303.17844	0.8
303.19141	0.7
303.22299	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	303.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.6
59.01378	16.1
65.14431	0.6
69.03432	0.7
70.31380	1.2
71.01369	2.0
73.02949	7.7
79.95735	1.2
80.96511	1.2
82.10715	0.5
85.02959	0.7
87.00864	0.7
89.02440	0.9
96.95992	1.6
101.02436	1.7
108.04489	0.8
113.02457	1.2
122.06120	2.6
124.07680	1.1
127.11317	1.1
130.02551	0.6
135.08183	0.8
136.07661	2.3
141.09230	2.5
149.04539	1.4
153.09222	2.2
167.10753	0.7
168.06651	1.7
171.10262	100.0
172.10596	5.2
185.11819	2.6
213.11241	0.9
223.27136	0.6
303.09396	2.3
303.14447	5.2
303.19415	1.2
303.22470	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	303.1239
Annotation	Bussealin C
Peak:m/z	Relative Intensity
56.41850	0.8
56.63221	0.8
57.03431	2.4
59.01369	2.0
83.05013	3.9
88.58332	0.8
93.03477	0.8
95.05040	0.9
99.92589	1.6
107.05054	1.5
108.02204	0.8
111.92429	0.9
121.02939	0.9
121.06579	11.9
122.03732	40.2
134.03737	8.1
135.04549	4.4
135.08122	0.9
136.05290	7.8
147.04544	0.8
148.05289	3.4
149.06070	40.3
150.03212	9.0
150.06871	4.3
151.07649	18.0
159.04523	3.3
159.08125	1.1
161.06050	1.9
161.09639	2.1
162.06862	19.7
163.07603	1.8
165.05566	1.0
172.05392	1.6
173.06151	1.1
173.09663	1.4
174.06819	2.9
175.03972	3.7
175.07686	1.4
176.04730	2.4
176.08458	1.6
177.05563	6.8
177.09212	2.9
189.09178	8.9
190.06317	6.1
190.09865	0.9
192.04341	1.1
199.07774	1.0
201.09177	2.4
201.12846	1.6
202.06128	0.8
204.04620	2.0
205.04991	4.9
213.09181	1.3
215.10831	1.3
216.11519	16.9
217.12163	3.5
219.13913	1.6
227.10767	2.0
229.12329	2.5
231.13866	9.7
232.11012	1.2
245.08150	1.1
245.11838	2.3
247.13420	5.7
257.12061	1.5
257.19031	1.2
259.16992	1.2
260.10538	2.4
275.12863	25.6
276.13248	2.6
301.17990	5.4
303.12381	100.0
303.15872	7.1
303.19659	29.2
303.22415	3.6
304.12936	11.8
304.19989	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	303.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
60.35993	0.4
60.72962	0.4
62.36074	0.4
66.67041	0.4
69.35983	3.5
71.05022	0.5
83.05025	0.5
103.27504	0.4
105.07128	0.5
120.51685	0.4
122.03732	2.7
127.73837	0.4
131.04996	1.3
134.03687	2.1
135.04529	0.8
145.06590	0.6
148.05278	1.5
149.06075	10.0
150.03223	5.0
150.06474	0.7
155.08620	0.7
159.04515	10.8
160.05254	0.6
161.02429	0.5
161.06046	1.1
161.09715	1.5
161.12514	0.4
162.06853	4.1
171.08125	2.5
172.05280	0.7
173.06061	3.3
173.09659	1.4
174.06836	5.4
175.04001	7.8
175.07622	1.3
176.04776	20.3
177.05208	1.0
177.09186	1.3
183.08174	0.9
185.06076	0.5
187.03943	0.7
187.07640	1.6
188.04794	3.6
188.08409	3.8
189.05521	1.2
189.09209	8.9
190.09462	0.5
199.07654	4.1
201.05522	1.4
201.09251	0.6
202.06317	4.3
203.03473	0.7
203.06868	0.6
204.04263	19.0
205.04819	1.7
205.08650	0.9
213.09108	0.6
214.10097	0.4
216.07887	1.1
216.11363	0.4
217.05116	1.3
217.08662	9.1
218.08968	0.6
227.07013	0.5
229.12321	0.8
231.13857	0.8
232.10977	2.3
233.07961	0.5
235.18289	0.4
239.78233	0.4
246.12660	0.7
247.13322	1.7
257.11694	1.1
259.09534	0.5
260.10376	0.7
275.12872	15.6
275.15924	0.8
276.13184	1.5
303.12411	32.3
303.19617	100.0
304.12875	3.3
304.19962	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	303.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.0
69.03431	1.2
69.28223	1.5
69.28645	2.6
71.01373	1.3
73.02937	0.6
79.51190	0.4
89.02447	3.2
96.64022	0.4
103.04046	1.0
109.06581	5.0
116.86567	0.4
127.07656	100.0
128.08011	4.6
131.03511	0.9
149.04558	16.6
150.04936	0.5
171.06630	43.4
172.07014	2.4
194.55542	0.5
210.22455	0.5
303.10855	10.2
303.22684	0.5
304.11099	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1238
Annotation	3,4'-Dihydroxy-3',5,5'-trimethoxybibenzyl
Peak:m/z	Relative Intensity
55.01880	1.0
57.03448	6.7
59.01378	1.8
66.84003	0.8
69.47412	6.0
71.05015	1.2
77.46983	0.8
79.05533	1.0
83.05015	5.6
94.80545	0.7
95.04995	0.9
100.13885	0.7
100.80840	0.8
101.08309	0.8
103.82468	0.7
105.03429	0.9
106.04229	1.7
107.05047	1.0
120.05820	1.9
121.06594	43.6
122.03741	3.0
122.06958	2.5
123.08171	1.7
126.48434	0.8
130.04274	0.9
130.33713	0.9
133.06557	0.9
134.03766	1.8
135.08142	2.6
143.08679	1.0
144.05830	1.8
145.06593	2.9
145.10170	1.3
146.07390	2.9
147.08112	1.0
148.05286	2.8
149.06044	7.9
149.09686	4.2
157.06601	1.3
159.04526	3.6
159.08138	4.3
161.06091	1.3
161.09717	50.2
162.06870	3.1
162.10078	2.9
171.08144	1.5
173.06140	1.4
173.09698	1.9
174.06836	2.8
175.04002	2.3
175.07591	1.1
176.04767	9.6
177.09178	4.3
185.09737	0.8
186.10468	4.2
187.07726	1.1
188.08438	1.4
189.05647	1.1
189.09210	8.0
199.07808	1.0
201.12851	29.7
202.06319	1.1
202.10046	1.3
202.13226	2.5
203.06984	1.1
204.04256	6.2
204.07863	1.2
217.08658	3.9
219.13943	5.6
232.10991	1.6
247.13394	9.7
248.13730	1.2
265.14432	11.7
275.12885	62.9
276.13168	5.3
303.12399	100.0
303.15891	9.6
303.19687	8.3
304.12759	9.0
323.21167	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.202
Annotation	Koninginin G
Peak:m/z	Relative Intensity
57.03448	3.7
59.01371	1.9
60.27918	0.9
66.94750	0.8
68.59045	0.8
68.77531	0.8
98.19907	2.4
99.08157	1.8
113.09710	2.1
125.09703	1.6
127.11303	1.1
135.04520	2.9
139.11270	1.2
187.09755	0.9
217.38928	0.7
221.19092	42.8
222.19434	3.8
237.18480	1.2
239.20061	4.2
257.21304	2.1
258.07578	0.7
260.55371	0.8
265.18066	27.5
266.18433	1.8
283.16153	1.2
283.19153	21.4
284.19461	1.3
286.03583	1.5
300.99988	3.8
301.20447	100.0
302.20880	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	301.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30378	0.3
51.52223	0.2
69.57768	0.6
69.58176	1.3
72.60858	0.2
77.14627	0.3
80.84272	0.2
102.98335	0.3
114.91100	0.3
151.07768	0.3
157.41066	0.2
229.81223	0.3
301.21701	100.0
302.22043	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	301.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68024	0.2
69.30655	0.4
69.31057	1.4
76.97961	0.2
86.90569	0.2
102.43266	0.2
146.97765	0.2
160.38712	0.2
188.67059	0.2
278.78751	0.2
301.21707	100.0
302.22058	8.8
302.25610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
75.09522	0.3
149.98311	0.3
301.21707	100.0
302.22058	9.9
316.48447	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.217
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56336	1.2
69.56744	0.5
71.87677	0.3
76.75816	0.3
96.70430	0.3
128.13976	0.2
259.28430	0.3
301.21701	100.0
302.22040	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	303.0123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
58.99595	0.9
59.01374	3.9
62.07512	0.3
63.73498	0.4
69.03452	0.7
70.08219	0.6
70.08605	0.9
71.01381	13.2
71.47463	0.4
72.99288	1.4
73.02941	9.8
75.00864	0.7
83.01393	0.7
83.78183	0.3
85.02956	5.8
85.25380	0.4
87.00874	63.2
87.92536	0.4
88.01200	0.8
89.02442	31.0
95.01372	0.9
96.99329	0.5
98.20690	0.4
99.00890	0.8
101.02437	1.1
102.94395	5.0
102.98579	0.7
103.04003	8.1
105.01916	0.5
108.90206	3.7
110.03582	0.7
110.89915	2.9
111.00915	0.9
112.98836	0.9
113.00082	0.4
113.02457	0.9
115.00365	4.7
117.01986	1.4
124.96489	0.4
125.99591	1.7
127.02120	0.7
129.01927	0.6
131.03502	1.5
133.01379	0.6
135.03052	0.7
135.04839	0.9
141.01921	2.3
142.96562	0.6
142.97540	3.4
145.01424	0.6
149.04550	100.0
150.04924	2.2
152.95953	26.1
153.96277	0.6
154.95711	2.0
154.97520	3.5
157.01399	1.7
158.95250	0.5
160.94125	1.5
166.97495	4.8
168.95453	1.2
172.06207	0.8
175.02492	4.5
177.31322	0.4
181.46436	0.4
182.96997	1.1
184.98529	0.6
186.96495	0.6
198.89713	11.5
205.05447	0.5
216.90137	0.4
226.89195	5.3
227.06865	0.4
228.88899	5.4
228.90842	2.8
228.97539	19.7
229.97900	1.1
240.90807	1.5
242.88760	2.9
278.09900	0.4
285.12988	0.8
302.22076	1.7
302.90863	2.0
303.05176	2.4
303.14197	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13325	0.7
57.03457	3.3
58.33853	0.7
58.39989	0.7
59.01380	77.8
60.01715	0.7
63.02377	0.9
65.00316	1.7
65.84707	0.6
69.42218	1.1
69.42628	3.4
71.01382	1.0
71.05015	1.9
73.02952	11.0
80.02679	0.7
83.01364	1.5
85.06596	6.5
90.73090	0.7
97.06606	1.8
99.04455	0.6
99.90082	0.7
106.06602	1.1
107.01360	3.0
108.04570	3.6
111.04501	0.6
115.07658	15.0
117.03403	0.9
124.07659	1.2
125.09711	1.2
129.09215	1.8
134.03752	4.1
136.01648	0.8
136.07690	7.2
139.11316	5.0
149.06047	1.4
150.05585	0.9
151.00348	4.9
164.01138	1.4
183.13947	0.8
207.13869	5.8
211.13387	3.8
225.14967	6.3
227.12883	18.5
228.13123	1.6
229.01476	1.1
242.10391	1.1
249.60925	0.8
251.12894	1.9
255.19577	1.9
256.61090	0.7
257.12955	18.8
258.13171	0.8
263.60443	0.7
269.13849	1.6
283.15506	11.9
283.99652	0.9
284.15811	1.0
300.99973	9.7
301.03311	1.7
301.07108	7.6
301.16583	14.4
301.20132	100.0
302.17215	1.1
302.20520	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	301.1659
Annotation	Viridamine
Peak:m/z	Relative Intensity
51.56808	0.3
59.44451	0.2
59.45631	0.2
60.97498	0.5
63.49694	0.3
64.48965	0.2
74.99084	0.7
87.70988	0.2
89.57266	0.3
98.19835	0.6
118.96214	1.4
134.99397	5.2
135.99486	0.2
136.97313	1.8
141.07356	0.3
143.05357	2.0
145.78830	0.3
159.08502	1.6
161.06392	4.8
176.21739	0.3
187.04312	0.3
201.04179	0.5
203.05640	3.5
204.05592	0.6
205.03531	1.1
215.05663	1.2
217.07190	82.7
218.07309	7.5
261.06143	0.5
283.11893	0.6
285.13452	33.4
286.13666	4.7
301.16580	100.0
301.21454	5.9
302.16769	11.4
302.22235	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1081
Annotation	Dalberatin E
Peak:m/z	Relative Intensity
69.24387	5.3
69.24799	2.1
87.04547	0.8
93.03430	0.7
93.94488	0.8
98.20649	1.7
106.02172	0.7
107.92850	0.7
108.02178	1.1
109.03028	0.9
121.02966	2.2
122.64961	0.8
123.00861	1.2
125.09833	1.1
149.02441	9.2
150.03217	10.2
164.04797	1.2
165.05579	14.4
169.06615	0.8
169.08693	2.2
183.04527	3.5
184.05299	5.5
185.05974	1.8
187.04015	6.0
195.04518	4.7
196.05174	2.3
197.06055	6.1
199.04031	1.4
209.06171	1.8
211.04034	4.8
211.07614	1.0
212.04796	9.7
213.05508	5.7
215.07240	0.9
223.03993	3.4
224.04776	2.6
225.05547	30.5
226.06102	3.5
227.07108	6.7
236.04857	2.0
237.05457	2.1
238.06339	2.2
239.07127	1.9
240.04276	40.9
240.07858	10.8
241.05005	14.0
241.08546	1.6
242.05505	1.8
243.06660	2.3
252.04202	1.1
253.05046	25.7
254.05609	2.6
255.06618	100.0
256.07230	16.5
267.06635	2.0
268.07419	15.3
269.07855	1.3
270.08966	86.8
271.06171	8.1
271.09662	31.6
272.10144	2.7
283.09698	6.2
285.03937	0.9
286.08438	10.2
300.99939	8.6
301.03204	1.4
301.07941	0.9
301.10794	26.6
301.20123	2.3
302.11282	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	301.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
66.08753	0.6
69.29437	2.7
69.29859	2.2
78.95892	0.6
93.03469	6.8
95.01364	3.0
102.98399	0.5
107.01386	1.5
111.00852	0.9
119.05025	9.2
119.05818	0.7
123.00881	22.4
137.02437	10.7
137.99593	1.1
139.00375	2.6
151.00362	10.7
151.04007	1.3
153.01929	2.3
165.01921	71.2
166.02316	2.7
169.01443	0.9
177.01967	1.3
180.04272	49.2
181.04646	1.8
191.62146	0.6
195.06615	100.0
196.06952	5.1
207.06703	1.0
225.50223	0.5
243.06670	2.2
271.06122	15.6
272.06412	1.0
286.08472	2.5
300.99976	3.7
301.03259	0.8
301.10782	2.5
301.14243	1.2
301.21686	28.3
302.22119	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
62.53884	14.4
79.95739	16.7
80.71275	15.3
89.47909	13.6
93.03432	15.9
97.19759	13.9
114.41033	16.3
123.00871	33.8
131.34891	14.4
165.05470	16.3
213.09175	19.0
225.05574	31.5
240.04327	17.4
253.04944	20.3
255.06664	45.6
256.07278	20.0
270.08981	39.6
271.09659	29.7
300.99902	100.0
301.07388	32.4
301.10825	20.9
301.20123	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.7
59.01384	3.9
60.49444	0.8
67.19852	0.8
69.03453	3.4
70.21610	2.3
71.01375	3.4
71.05016	1.3
72.99323	1.0
73.02945	5.1
77.05224	0.9
78.66797	0.8
78.91872	1.5
79.95732	1.8
81.07077	0.9
83.05002	1.1
86.56464	0.7
87.00872	3.8
87.04510	9.6
89.02444	16.2
92.14170	0.9
93.89668	0.7
95.05038	1.6
96.95991	3.4
97.06577	1.1
98.20613	1.1
103.04022	5.3
111.08133	0.7
125.06077	58.1
125.09694	4.0
126.06460	1.5
131.03484	1.9
133.06944	6.4
149.04549	95.2
150.04929	2.3
151.11359	1.5
169.05045	6.3
177.12746	0.8
197.11763	0.7
221.08476	3.7
257.13953	2.3
263.94891	0.7
271.15561	1.4
283.15521	3.3
297.84741	0.8
301.00171	1.4
301.04013	5.3
301.09586	5.4
301.16803	4.3
301.21695	100.0
302.22012	5.8
322.17831	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0929
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
61.98839	0.5
64.50386	0.2
69.88387	1.4
85.41064	0.2
88.57726	0.2
93.03455	5.7
94.03833	0.3
98.20582	0.4
98.72737	0.3
100.47327	0.2
121.02946	8.0
122.03310	0.3
137.02423	0.6
139.04010	100.0
140.04343	3.4
151.29280	0.2
157.99094	0.3
160.52286	0.2
165.01936	0.8
211.30052	0.2
245.51154	0.3
284.12494	0.3
300.99207	0.4
301.09326	2.1
301.21716	20.6
302.22055	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2017
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
54.82475	0.5
55.38529	0.6
65.54255	0.6
70.36735	2.3
102.11966	0.6
119.05011	6.1
138.05656	1.0
185.00613	0.7
206.57205	0.9
261.91525	0.7
284.03311	2.6
299.05588	1.5
299.20154	100.0
299.25699	4.3
300.20450	11.9
300.25824	0.8
305.26062	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09534	0.3
55.92825	0.3
59.01369	0.4
59.68876	0.3
65.73528	0.3
74.04212	0.3
83.11163	0.3
99.75527	0.3
119.05029	3.6
138.05539	0.4
175.41866	0.3
179.64690	0.3
207.06357	0.3
228.12842	0.3
229.12875	0.3
239.62932	0.3
284.03387	1.5
299.20145	100.0
300.20490	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	299.2589
Annotation	(R)-10-Hydroxystearate
Peak:m/z	Relative Intensity
54.54229	0.5
59.01377	100.0
60.01716	1.1
71.14541	0.9
73.67542	0.5
84.68349	0.4
84.81925	0.6
106.99198	0.5
128.12601	0.5
170.86281	0.4
179.35713	0.4
198.21889	0.5
203.44824	0.5
239.66982	0.5
299.25879	48.1
300.26230	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	300.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02402	0.3
59.01379	0.8
68.01415	0.6
69.07630	0.2
69.32554	1.0
69.32982	1.2
71.01372	0.4
82.92104	0.2
83.57475	0.3
85.39380	0.2
86.62605	0.2
89.02488	0.3
93.03467	1.1
94.03799	1.0
94.06687	0.3
95.05006	0.4
104.54996	0.2
108.08179	0.3
122.02470	0.5
123.03272	11.6
124.07601	0.4
130.55998	0.2
137.02496	1.5
137.04822	1.0
138.02815	2.0
138.05611	100.0
139.05949	3.9
152.07092	0.6
165.04263	0.3
167.05870	0.5
180.06670	2.1
300.10895	4.7
300.14078	0.5
301.21765	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	299.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47163	0.2
58.81115	0.2
59.01379	0.7
65.00335	0.3
93.03458	0.4
95.95309	0.2
119.05026	100.0
120.05366	3.9
123.00897	0.7
134.24646	0.2
138.05634	0.3
217.00325	0.3
225.05519	0.5
240.07893	0.3
241.05023	0.2
269.04535	2.3
284.03268	1.5
284.06851	1.4
299.09210	16.7
299.20111	0.7
300.09625	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
64.50787	0.1
65.00339	0.3
70.75161	0.4
83.05034	0.7
91.05570	0.2
93.03455	0.9
96.96017	1.6
117.03474	0.3
119.05029	100.0
120.05366	3.9
122.60603	0.1
123.00903	0.7
128.80203	0.2
129.05565	0.5
136.98836	0.3
137.02422	0.5
138.05606	0.5
153.05573	0.2
165.01874	0.3
169.06590	0.2
171.04482	0.2
183.73424	0.2
185.06009	0.2
187.13373	0.3
199.07747	0.2
212.04764	0.2
217.00337	0.5
225.05621	0.7
240.07895	0.5
269.04565	2.7
270.98883	0.2
282.99542	0.3
284.03250	2.3
284.06812	1.4
299.05698	1.1
299.09232	16.0
299.13077	1.6
299.16519	1.0
299.19778	0.3
300.09445	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
65.67870	0.2
68.67568	0.2
71.88799	0.2
78.96356	0.3
93.03465	0.7
98.20761	0.6
102.14902	0.3
119.05023	100.0
120.05352	3.9
122.58769	0.3
123.00875	0.7
165.01987	0.3
225.05663	0.6
230.24057	0.4
269.04544	1.7
284.03552	0.4
284.06906	1.3
299.09219	17.0
300.09518	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	299.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74934	0.2
59.01379	1.0
63.96851	0.2
65.00321	0.5
71.00388	0.3
74.00329	0.2
83.05015	0.3
93.03444	0.8
96.96014	0.6
111.04514	0.2
117.03468	0.2
119.05025	100.0
120.05355	3.8
121.21100	0.1
123.00919	0.7
129.05608	0.3
135.04778	0.2
136.98840	0.4
137.02448	0.2
138.05591	0.2
139.65689	0.2
145.03029	0.2
149.99612	0.2
163.98148	0.4
165.01865	0.2
167.14357	0.3
170.96931	0.2
187.13358	0.2
190.34062	0.2
191.97562	0.8
199.04034	0.2
211.13330	0.3
213.37457	0.2
217.00284	0.6
225.05646	0.4
229.14349	0.3
237.05548	0.2
240.07845	0.3
241.05038	0.2
256.14365	0.2
257.17554	0.4
269.04532	2.2
270.04953	0.3
284.03226	2.3
284.06827	1.4
285.03540	0.2
299.05679	1.2
299.09216	17.1
299.12723	0.6
299.16406	0.8
299.20007	0.4
299.25885	0.3
300.09549	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
60.49523	0.2
60.88505	0.2
65.00332	0.2
69.51462	0.8
72.84639	0.2
78.59423	0.2
83.83699	0.2
90.49115	0.2
91.72277	0.2
93.03465	0.7
95.95219	0.2
98.20666	0.2
101.22406	0.2
117.03436	0.2
119.05026	100.0
120.05351	3.6
123.00880	0.8
136.98766	0.3
165.01909	0.3
203.10829	0.2
207.10248	0.2
216.76418	0.2
217.00264	0.3
225.05563	0.5
240.07985	0.2
241.04990	0.4
269.04547	2.5
283.02322	0.2
284.03226	2.2
284.06866	1.4
285.03543	0.3
285.06738	0.2
299.05701	1.0
299.09216	14.7
299.12802	0.6
299.19882	0.8
300.09525	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	299.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84011	0.2
59.01376	0.4
65.00323	0.3
71.52626	0.4
83.05024	0.9
86.08245	0.2
91.01956	0.2
93.03471	0.6
96.96004	1.7
103.07816	0.2
117.48395	0.2
119.05027	100.0
120.05363	3.6
123.00886	0.6
136.98795	0.5
137.02458	0.3
138.05598	0.4
145.02921	0.3
145.70174	0.2
165.02058	0.4
171.04488	0.2
199.07660	0.2
200.04781	0.2
217.00348	0.4
225.05495	0.4
240.07816	0.4
269.04575	2.2
270.98914	0.2
284.03253	2.7
284.06848	1.2
299.05615	1.4
299.09229	14.6
299.13046	2.2
299.16483	1.8
299.20123	0.7
300.09616	1.5
300.12964	0.3
300.16782	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
65.03950	0.5
65.57029	0.3
67.56090	0.4
68.99648	0.3
70.80000	0.5
70.80350	0.8
71.01373	2.2
73.02940	0.7
80.27358	0.4
83.01347	0.4
85.02940	0.9
90.56831	0.4
90.75588	0.3
93.03457	64.8
94.03810	2.0
101.02448	0.9
113.02457	1.1
123.03252	2.4
137.02443	100.0
138.02794	3.5
138.05611	17.1
152.42041	0.4
162.27042	0.4
168.61090	0.4
180.06680	0.6
235.47476	0.4
299.07794	0.9
299.15063	0.4
300.10959	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.2
65.03973	0.7
65.47060	0.7
67.28797	0.6
70.52207	2.4
71.01378	2.5
73.02980	1.1
85.02943	2.1
93.03456	60.5
94.03772	1.7
101.02404	1.3
113.02415	1.3
119.04987	0.9
137.02440	100.0
138.02788	3.9
138.05591	1.6
299.07861	1.7
299.20422	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51246	0.2
57.04669	0.3
59.01371	0.7
65.00318	1.2
66.23071	0.2
69.28386	0.7
69.28791	2.1
81.03462	0.6
83.05019	2.4
89.11667	0.3
91.01910	0.3
93.03456	0.4
96.96032	1.6
117.03460	0.3
119.05025	100.0
120.05357	3.9
121.02979	1.6
123.00901	0.6
135.04539	1.8
136.98788	1.3
137.02367	0.4
138.05624	0.9
142.70157	0.2
153.82138	0.3
165.02124	0.4
171.04463	0.3
217.12303	0.4
225.05646	0.4
227.03459	0.5
228.04440	0.3
240.07935	0.4
262.33896	0.3
269.04514	2.0
283.02512	0.4
284.03287	7.6
284.06818	1.6
285.03711	0.6
299.05634	3.3
299.09268	14.9
299.13101	1.9
299.16464	1.2
299.19949	2.3
300.06506	0.4
300.09497	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0561
Annotation	Koparin
Peak:m/z	Relative Intensity
53.85491	0.5
59.01302	0.8
62.89157	0.6
65.00245	2.2
65.87933	0.5
69.82520	1.7
69.82931	1.2
74.57344	0.5
81.25294	0.5
85.05907	0.6
87.00802	2.2
95.01328	0.9
98.20644	0.8
107.01340	0.9
117.03394	1.4
123.00890	4.4
125.54038	0.7
132.02205	2.5
133.02953	21.5
134.03618	3.4
138.05516	0.8
141.20505	0.5
145.02899	0.8
146.03630	0.8
148.01665	2.9
148.98671	0.5
149.99600	10.1
151.00194	1.3
157.27724	0.6
164.01106	0.7
171.04495	0.8
172.05325	3.9
183.04527	3.6
184.05177	1.3
185.02466	2.5
187.03966	0.6
199.03978	5.5
200.04788	9.0
201.52632	0.6
203.03458	1.1
207.10161	1.4
209.15401	1.2
211.03984	5.5
212.04611	1.2
213.01820	0.5
225.11211	1.8
227.03481	18.2
228.04214	5.4
239.03471	5.6
240.04204	3.6
241.01427	1.2
255.02956	7.7
256.03720	4.8
267.02927	1.1
269.00833	3.8
283.02472	1.0
284.03253	100.0
285.03540	7.0
285.93213	0.5
299.05603	86.0
299.18854	1.9
300.05917	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	299.0771
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
50.30525	0.4
57.03406	0.4
59.01352	1.0
63.46922	0.3
66.95634	0.3
69.46574	1.5
69.46986	1.0
71.01376	2.5
72.99318	0.4
73.02911	0.8
77.69289	0.3
79.51181	0.3
85.02975	1.2
93.03455	67.3
94.03793	2.4
101.02447	1.2
113.02444	0.9
119.20016	0.3
123.03262	3.1
137.02440	100.0
138.02800	3.8
138.05603	23.3
138.45999	0.3
150.89127	0.3
180.06668	0.4
196.94196	0.3
299.07666	0.8
300.10962	1.5
301.16922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0771
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
69.77502	1.1
71.01385	0.3
79.39307	0.2
81.03458	0.2
82.37302	0.2
85.02966	0.2
93.03458	8.8
94.03817	0.2
98.19977	0.3
100.21674	0.2
108.02161	0.4
109.02947	0.6
130.34401	0.3
136.01634	2.2
137.02443	100.0
138.02795	3.2
138.05606	0.7
142.80698	0.2
147.80553	0.2
234.69730	0.2
299.07697	7.8
300.08032	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0773
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
51.75031	0.2
53.94850	0.3
57.03456	0.3
59.01372	1.0
65.03963	0.5
68.38576	0.2
70.09447	0.9
71.01391	1.8
73.02938	0.8
78.95877	0.2
79.84488	0.2
81.12065	0.2
83.01395	0.5
83.58577	0.2
85.02956	0.9
87.00854	0.2
93.03458	67.4
94.03788	1.9
99.00876	0.3
101.02440	0.9
113.02441	0.7
119.04976	0.2
134.03754	0.2
137.02443	100.0
138.02783	3.7
138.05598	2.3
144.04559	0.3
149.04558	0.3
161.04599	0.5
169.77127	0.2
299.07794	1.2
299.11206	0.3
299.14810	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63875	0.2
66.73392	0.2
71.14509	0.5
79.95701	1.9
87.01167	0.2
119.05015	1.1
170.00444	1.2
183.01198	52.1
184.01904	4.9
197.02774	2.3
198.03516	0.3
199.96432	0.2
211.04504	0.3
216.00954	3.3
225.05766	0.4
230.02539	0.6
233.19043	0.3
239.07558	0.6
297.15271	100.0
298.15613	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	298.048
Annotation	3'-hydroxy-biochanin A
Peak:m/z	Relative Intensity
51.31131	0.2
52.04342	0.2
58.19293	0.2
59.01369	0.5
59.43981	0.2
63.02407	1.4
65.00322	7.4
67.01885	0.6
68.99808	0.4
69.19511	0.2
69.44656	1.3
75.17307	0.2
79.01899	0.3
83.00043	0.2
91.01894	2.9
92.99818	1.2
95.01395	1.0
96.99322	0.9
107.01378	1.6
107.47035	0.2
108.99307	0.3
110.00108	1.7
117.03461	30.2
118.03802	1.5
119.01395	1.0
119.05025	9.1
120.99319	0.7
121.02996	0.3
125.02390	0.3
135.00883	13.1
136.01224	0.4
136.98810	4.9
136.99866	0.3
140.61922	0.2
141.03467	0.2
143.05037	1.8
145.02980	0.5
155.05017	0.8
159.04504	3.6
160.04832	0.2
163.00369	25.4
164.00708	0.9
164.98285	9.4
165.99086	1.3
166.73900	0.2
167.05020	1.2
169.02983	1.2
171.04478	0.9
178.99863	0.3
182.03706	0.7
183.04506	11.3
184.04848	0.7
185.02425	3.1
186.03151	0.2
187.03957	1.3
195.04446	0.4
197.02431	0.3
199.04019	1.2
210.03242	0.7
211.03996	3.9
212.04462	0.3
213.01743	0.2
217.00325	0.3
227.03479	9.7
228.03912	0.6
239.03484	1.5
255.02975	26.7
256.03336	1.8
261.63901	0.2
269.04575	0.6
282.01633	0.4
283.02460	100.0
284.02954	10.1
297.04025	0.8
298.04803	61.4
299.05246	6.3
299.09189	1.6
299.12790	0.3
299.20151	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0561
Annotation	Koparin
Peak:m/z	Relative Intensity
50.86264	0.3
55.67760	0.2
59.12008	0.2
63.02380	1.1
65.00323	1.5
69.32493	0.7
69.32920	1.4
72.85177	0.2
75.28132	0.2
83.01363	1.1
94.99926	0.2
98.20708	0.5
107.01385	2.1
110.00093	3.7
130.04219	0.2
132.02158	0.4
133.02939	0.3
134.03673	0.9
136.98781	1.2
137.99615	0.5
148.01686	0.3
149.99586	0.4
151.00360	3.1
163.00360	1.1
165.99060	2.7
175.11124	0.3
183.04494	0.8
184.05197	0.4
187.04034	0.4
188.04726	0.3
199.03960	0.8
200.04829	2.0
211.04022	1.4
212.04726	0.7
219.10304	2.5
227.03499	3.4
228.04135	0.9
239.03459	1.3
255.02950	3.2
255.10909	0.2
256.03757	6.2
282.63757	0.3
283.02432	2.2
284.03247	100.0
285.03592	6.9
299.05597	62.1
300.05978	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	299.056
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
54.68486	0.4
57.01180	0.4
65.00321	14.8
68.99799	0.3
69.73297	2.2
98.20677	0.5
108.02140	1.1
108.99284	1.5
110.00084	0.7
117.03447	1.8
119.01354	0.8
136.98802	18.2
137.99126	0.4
139.00348	0.4
149.99538	1.4
155.04997	0.5
156.05768	0.9
158.03671	0.8
159.04434	0.5
163.00308	0.6
164.01093	1.7
164.98238	0.5
165.99042	0.9
166.99774	0.7
183.04469	2.1
184.05241	1.7
185.02446	1.2
186.03201	3.2
187.03966	0.5
199.03984	1.1
200.04788	2.9
211.04085	1.9
212.04810	4.8
214.02696	0.9
216.04222	0.6
227.03488	4.0
228.04248	2.1
239.03473	1.0
255.02965	1.4
256.03711	1.1
283.02472	4.3
284.03250	100.0
285.03561	5.2
299.05600	45.2
299.09204	0.7
300.05859	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	297.1342
Annotation	Oligandrumin C
Peak:m/z	Relative Intensity
55.38012	1.8
57.03438	5.2
59.01368	7.0
69.42265	12.5
71.01398	2.1
71.05012	4.8
73.02938	1.8
73.50762	1.6
73.76732	1.6
79.95724	3.9
81.03456	9.5
81.07088	2.0
83.05016	4.8
85.02952	5.9
87.00881	2.8
87.63327	1.8
95.05020	6.6
96.95991	2.1
97.06578	4.6
98.03732	4.8
99.04506	7.4
108.02174	6.2
109.06576	2.2
111.00874	4.0
111.04497	4.3
113.06074	4.3
117.01917	1.7
119.56622	1.7
123.08162	2.3
125.06083	2.0
126.03230	45.0
135.04518	3.7
136.05275	7.0
137.06102	11.6
139.07629	2.5
147.08131	1.8
149.06049	3.0
149.09747	2.6
150.06816	4.0
151.11232	2.7
154.00883	1.9
155.07022	1.7
163.11156	2.4
167.10788	1.9
177.09222	2.7
177.12737	2.3
179.14394	1.9
189.12790	7.1
191.14404	4.7
193.98987	1.7
205.12270	4.5
207.13892	13.3
209.15477	10.6
211.13354	4.2
217.12328	4.5
225.14906	6.0
235.13388	55.0
236.13742	6.1
238.54662	1.5
253.14441	100.0
254.14827	8.3
279.12347	2.2
297.08041	3.1
297.11465	8.1
297.13617	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	297.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39030	1.6
57.03436	5.0
59.01372	3.0
65.03960	19.9
71.52548	2.3
72.99310	3.0
81.03460	15.5
83.05022	5.1
87.00882	3.5
93.19972	1.6
96.17738	1.6
96.95998	5.5
97.06574	6.0
106.04245	7.7
111.08138	1.8
119.05025	2.0
121.06660	3.5
123.08176	2.1
125.09728	31.2
125.10642	3.1
154.00919	12.1
155.01744	1.7
163.07645	2.0
165.05573	5.4
171.10292	15.2
178.04736	1.9
181.03278	12.2
181.16025	4.4
182.04034	6.0
183.04657	2.2
191.14406	11.2
195.04840	1.9
207.13951	3.8
209.11826	20.4
209.15445	14.5
217.12276	13.1
225.05888	3.2
225.14948	100.0
226.15263	3.4
235.13388	69.8
236.13684	5.2
253.14456	3.8
254.14285	1.9
297.11349	91.8
297.24405	2.2
298.11594	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	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
59.01374	3.7
64.87828	0.5
69.38232	3.6
69.57055	0.4
71.01387	0.5
71.64521	0.4
74.71717	0.4
76.03141	0.5
159.57782	0.5
265.21719	2.0
277.21771	3.5
278.22052	0.6
295.22766	100.0
296.23102	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	295.2276
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03436	0.9
59.01376	1.6
64.26155	0.3
71.10500	0.3
83.05031	0.3
88.92935	0.3
90.64365	0.3
100.61868	0.3
113.09739	2.5
118.15428	0.4
141.81651	0.3
177.12802	0.5
179.14415	1.1
181.12433	0.5
195.13893	20.1
196.14275	0.8
251.23775	0.4
277.21701	18.9
278.22055	1.5
295.22760	100.0
296.23120	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	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03434	0.8
59.01383	1.2
60.21003	0.7
70.82140	1.3
113.09754	1.1
171.10272	24.1
172.10609	0.9
183.10243	2.5
195.13876	8.9
277.21713	38.7
278.22003	3.1
295.22766	100.0
296.23145	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	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58333	0.4
57.03437	1.0
59.01374	3.8
60.08898	0.4
69.81823	0.4
71.01359	0.5
83.05016	0.5
92.39256	0.4
97.06557	0.8
98.20701	0.5
99.08173	1.0
103.85405	0.4
113.09720	2.9
120.37502	0.4
129.09166	0.5
160.38693	0.4
177.12755	0.5
179.14372	1.1
181.12379	0.6
183.13890	3.3
195.13892	27.6
196.14224	1.3
225.07817	0.4
251.23856	0.6
258.38245	0.4
259.20828	0.5
277.21704	23.5
278.22049	2.1
281.72235	0.5
282.15506	0.4
293.21127	0.6
295.22760	100.0
296.23105	8.8
303.90811	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02814	1.1
57.03446	1.2
59.01372	1.4
69.03434	1.2
69.47969	2.1
69.48373	5.0
84.80215	1.2
91.50997	1.2
98.20715	1.2
122.24775	1.2
125.09738	2.1
127.11260	1.9
130.87631	1.2
139.73972	1.2
141.12895	1.4
171.10268	59.0
172.10574	3.4
174.49669	1.2
183.10265	3.2
277.21698	75.0
278.22095	6.8
295.22763	100.0
296.23132	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	297.1341
Annotation	Oligandrumin C
Peak:m/z	Relative Intensity
57.03444	7.0
59.01378	14.6
71.01392	10.2
71.05008	7.9
73.02969	7.5
81.03458	16.0
83.05061	6.8
85.02958	21.3
87.00841	5.3
90.58627	4.5
95.05016	10.3
96.96019	61.0
97.06600	8.3
98.03734	6.5
98.20660	11.6
100.15287	5.4
101.02416	9.1
107.84852	4.7
108.02156	11.2
109.02959	7.3
109.06600	6.1
111.00880	8.7
111.04613	6.1
113.02438	17.9
113.06100	6.2
121.06596	15.3
123.08115	6.0
123.83715	4.7
125.06187	5.2
126.03230	41.4
135.04523	10.2
136.05327	5.8
137.06056	15.2
148.49149	5.4
165.05544	20.9
189.12871	13.6
190.13121	4.9
191.14429	7.1
205.12404	7.4
207.13905	23.7
209.15457	14.0
235.13391	100.0
253.14462	98.5
254.14717	7.7
282.09009	7.1
297.09308	12.1
297.13635	26.7
297.24329	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	295.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56860	0.7
54.41105	0.6
55.63503	0.6
57.03450	4.6
59.01368	2.6
63.01886	0.5
63.45493	0.5
64.62576	0.5
69.03437	1.5
69.73801	0.8
69.74210	2.9
71.01395	3.0
73.02940	2.3
79.05539	1.6
79.95760	0.6
81.03488	1.0
83.05045	1.1
85.02958	2.0
87.04510	4.8
93.03439	0.9
93.07143	0.7
95.05042	2.2
95.46277	0.6
96.96037	0.8
97.02960	0.8
98.19975	1.1
105.07108	1.1
106.04259	0.7
107.05016	1.4
107.08652	3.4
109.02947	0.7
109.06586	2.7
111.04520	1.1
113.09924	0.6
119.05035	0.9
119.08659	1.9
120.05832	0.7
121.06595	4.8
123.04536	4.6
123.08144	1.2
126.29323	0.5
131.08603	1.0
133.06609	3.1
135.04512	1.4
135.08177	2.4
137.06094	1.5
145.06509	1.4
147.04663	0.6
147.08159	6.2
149.06110	1.0
149.09717	20.9
150.10046	1.2
151.07579	0.8
157.06537	1.2
159.08154	2.0
161.09714	6.2
163.07637	2.2
170.07347	5.1
175.07631	2.4
177.09160	0.7
179.10664	0.8
183.08105	0.7
185.09702	100.0
186.10040	5.6
187.07695	0.8
188.08379	1.3
191.07121	3.5
193.08707	9.8
197.09735	1.6
201.08966	0.6
203.07236	0.7
203.10765	13.0
203.47389	0.6
204.11107	0.7
205.08679	2.0
215.10704	2.7
221.11862	1.6
229.08650	3.9
247.09731	20.0
248.10181	0.9
253.87311	0.6
265.10803	27.7
266.11069	1.8
277.10745	2.8
295.12183	7.6
295.15369	1.2
295.18854	1.4
312.86447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69898	0.7
54.69349	0.6
59.01380	5.8
61.98769	0.9
67.10516	0.6
71.01354	1.1
76.66997	0.7
83.04986	2.0
85.47949	0.7
119.51032	0.7
123.04520	1.1
135.04568	1.1
137.06026	1.7
146.69234	0.7
147.04454	2.8
149.06024	1.3
153.00095	1.6
153.03754	0.9
155.01663	0.7
166.00883	0.7
167.01700	1.5
168.02509	1.3
173.05997	1.1
176.06870	0.7
180.02478	2.7
181.03284	69.6
182.03658	4.3
185.09650	1.0
187.07550	1.2
188.08360	1.5
189.09140	0.9
193.03253	3.1
194.03987	1.3
195.04855	9.2
199.83809	0.7
203.05240	1.1
207.04839	6.1
209.02768	1.7
209.06403	0.9
210.03682	0.7
221.06401	26.9
222.07161	9.1
237.05928	0.9
237.09482	7.6
247.07762	0.8
253.09125	1.9
261.51462	0.7
262.10306	2.5
263.11081	5.4
265.08966	16.4
266.09198	1.9
277.12738	0.7
279.10495	2.6
280.11356	100.0
281.11719	7.0
295.13708	68.6
295.19006	1.1
295.22778	3.0
296.14047	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	294.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00322	0.9
52.67770	0.5
59.01379	3.2
61.98817	1.6
64.01917	1.2
65.00350	0.6
65.99853	1.9
66.03499	0.6
69.47821	2.5
69.48248	1.9
71.01381	0.7
80.05053	2.8
93.03461	1.3
95.05038	0.6
96.10040	0.6
109.02968	4.8
111.00866	1.4
112.01665	0.9
117.17248	0.6
121.03010	1.2
122.02444	0.8
122.03751	1.0
123.04521	1.6
124.85194	0.5
131.03535	0.5
134.02507	3.2
135.04500	0.9
137.02443	17.3
137.06105	3.8
139.03984	0.8
147.03329	0.7
148.07697	0.7
149.06056	0.8
150.01984	1.7
151.03992	1.5
151.07671	1.2
152.03493	0.6
160.03944	0.6
160.05205	0.6
161.06148	1.0
165.05573	2.8
165.09180	1.2
166.06355	5.5
167.02225	15.6
173.04817	1.4
174.05522	0.7
175.07591	1.8
177.05551	2.0
178.01407	1.0
178.06404	0.7
179.07170	1.3
180.03040	0.7
188.07133	1.6
191.07127	0.7
193.08708	2.3
219.05493	0.5
222.99005	0.6
235.13507	0.6
247.13380	1.3
264.13629	7.0
277.13104	4.0
294.13467	100.0
295.10141	1.8
295.13776	6.6
295.18939	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1711
Annotation	Serratezomine B
Peak:m/z	Relative Intensity
52.98324	0.6
59.01384	3.1
61.98820	1.3
66.03451	0.7
70.53436	1.8
83.05025	1.1
85.02968	1.5
85.06588	2.4
85.42129	0.5
101.02347	0.7
109.06615	0.6
134.09740	2.4
145.38509	0.5
146.09734	1.4
148.11272	0.6
162.12878	7.5
164.14441	18.9
165.07388	0.9
165.14754	1.4
172.11275	1.7
173.54599	0.6
190.12364	32.3
191.12701	1.5
206.15475	2.4
208.13426	34.3
209.13745	1.6
232.17053	48.7
233.17366	3.3
250.18091	2.5
271.74600	0.6
273.65570	0.6
276.16037	21.6
277.16406	1.6
294.17078	100.0
295.10126	1.0
295.17459	8.0
303.32129	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52522	2.6
59.01380	29.3
61.80459	2.8
69.68111	15.5
71.01377	57.0
73.02943	2.9
84.06528	2.5
85.02977	4.2
89.02446	19.5
93.79572	2.4
101.02435	7.6
109.17218	2.4
113.02460	7.5
115.00370	100.0
119.03516	5.9
127.02495	4.3
149.04570	12.3
171.01456	4.5
229.98732	2.6
295.10385	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	295.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23368	0.8
55.04485	0.7
57.03437	0.9
58.00571	2.2
59.01377	96.9
71.01378	46.5
71.25584	1.7
72.99300	4.3
73.02942	2.2
83.01374	2.8
85.02941	10.9
87.00849	1.1
89.02441	57.0
93.80363	0.8
95.01392	3.1
99.00877	1.9
101.02441	31.4
113.02444	18.0
115.00378	4.1
119.03502	27.7
123.22009	0.9
131.03487	1.7
133.05051	1.8
139.64819	0.8
143.03468	1.6
149.04636	0.9
161.04555	3.2
164.05782	1.3
179.05606	2.9
191.54912	0.8
199.88406	0.8
295.10324	100.0
296.10641	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
51.43584	1.2
51.78388	1.2
52.70109	1.4
56.86646	1.4
58.22374	1.5
59.01367	4.8
62.10484	1.2
69.36200	1.5
70.82230	2.9
71.05000	3.5
72.05405	1.4
72.89011	1.4
98.24049	1.5
121.10233	5.9
124.67476	1.5
155.10834	1.3
171.10263	11.8
177.16739	1.6
183.10284	8.8
183.13864	14.0
189.53900	1.6
191.18106	1.7
211.13411	3.5
231.21164	4.5
235.17030	66.2
236.17328	3.8
252.20149	1.3
275.20142	91.2
276.20456	6.3
293.21219	100.0
294.21622	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.6
59.01368	3.5
60.07567	1.1
69.20950	10.8
69.21583	1.0
73.05080	1.1
84.33659	1.0
86.03397	1.0
90.82823	1.0
96.92744	0.9
97.06542	1.0
98.20721	1.9
110.76350	1.0
113.09729	17.1
121.10224	9.4
125.09779	1.4
139.11345	2.4
146.59128	1.0
151.31165	1.1
153.90417	1.1
154.18166	1.0
167.10796	1.8
171.10272	22.8
179.10857	1.4
185.11696	1.6
195.13873	2.5
221.15524	1.8
231.21167	1.9
249.22087	1.2
275.20145	24.9
276.20441	2.9
293.08850	1.8
293.21222	100.0
294.21588	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
59.01384	0.9
60.34517	0.7
60.56398	0.7
69.45456	0.7
70.46758	1.7
70.47163	2.0
98.20523	1.1
105.77081	0.7
179.14406	2.0
195.13911	13.6
196.14575	2.3
205.12428	0.8
205.16064	0.7
211.13438	1.1
220.64424	0.7
223.13365	11.7
224.13846	0.9
224.60287	0.8
228.13673	1.5
256.13062	4.8
275.20236	9.0
293.21231	100.0
294.21542	6.9
295.64005	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	8-[(1R,2R)-3-Oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate
Peak:m/z	Relative Intensity
57.03438	1.7
57.56625	0.6
59.01366	1.4
60.28972	0.6
60.33324	0.7
71.01376	1.6
71.51688	0.8
72.99242	0.7
84.97234	0.6
86.17874	0.6
93.85838	0.6
96.96025	6.2
99.08127	0.7
113.02577	0.8
113.09719	4.3
116.64915	0.7
122.86641	0.7
136.08961	3.4
139.11261	3.0
142.38094	0.7
153.12837	1.3
171.08119	0.7
171.10310	0.8
177.09215	0.7
179.10844	0.7
191.18048	2.7
192.11530	2.1
193.15973	4.8
195.13918	1.4
205.12338	0.9
213.95334	0.6
220.14691	7.0
221.15456	13.9
222.15854	0.9
224.13957	0.7
236.10493	11.6
247.20653	1.6
248.12109	0.8
249.16432	0.9
249.18663	1.8
275.20135	2.2
291.19724	0.8
293.17831	7.2
293.21188	100.0
294.21561	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92877	2.8
57.03448	58.5
59.01365	12.4
66.85628	3.2
69.21559	30.8
70.88129	3.0
71.01361	5.6
72.99312	6.7
79.05527	9.2
81.03451	5.4
83.05014	24.0
85.02955	4.2
87.00846	4.1
93.03474	5.1
95.05002	5.2
96.95992	10.4
97.06573	5.7
101.02446	5.4
105.07092	3.7
107.05044	23.8
119.08659	3.8
120.99725	3.8
121.06580	9.9
122.03718	5.0
133.06587	13.6
134.03781	18.1
137.09709	16.5
139.07625	3.5
145.10211	7.1
147.08176	68.0
149.06064	5.2
159.10213	3.9
161.04593	10.1
163.11267	6.4
169.10234	9.5
175.07652	6.7
177.09196	5.6
178.02692	5.8
185.13306	10.9
187.07622	6.2
187.11281	67.3
191.10814	4.2
197.09746	8.4
198.10471	7.5
201.13029	3.2
203.14391	36.2
211.11243	4.1
213.11020	4.7
213.12857	63.3
217.60146	2.9
221.15492	4.3
231.13895	100.0
232.14427	3.2
235.80893	3.5
249.15094	4.7
265.14362	4.2
293.05026	15.5
293.10388	12.1
293.13922	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
68.36694	0.3
71.01006	0.5
71.01380	7.9
71.22414	0.5
92.16757	0.3
92.75254	0.3
127.07651	0.8
148.05299	1.8
149.05972	0.3
151.07582	0.5
162.29825	0.3
164.08406	1.4
177.09207	5.2
192.11552	7.4
193.12219	0.6
205.12331	8.3
207.13904	0.8
217.08635	0.7
218.09441	2.1
220.14668	49.1
221.15443	100.0
222.15782	6.9
235.13419	1.2
236.10522	69.4
237.10893	5.2
246.71651	0.3
293.17609	6.7
293.20972	0.7
294.17929	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2118
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
57.03438	0.9
59.01378	3.2
61.66029	0.4
61.98803	0.9
68.99813	0.6
71.52136	0.5
71.52531	0.7
93.03503	0.7
93.15018	0.5
95.05049	0.8
96.96011	0.9
110.48773	0.5
111.08167	1.5
113.09675	0.7
119.52031	0.5
146.60966	0.7
171.10498	0.6
179.14461	1.7
181.12350	0.6
193.15947	0.6
195.13879	15.9
196.14384	1.5
199.78777	0.5
205.08539	0.5
205.12212	1.2
205.15916	1.1
211.13391	1.1
220.14720	0.8
221.15434	1.5
223.13371	8.9
224.13916	1.4
228.13626	0.9
235.16951	0.6
236.10689	0.5
256.13171	3.8
265.21725	1.3
274.92365	0.6
275.20099	9.0
276.20490	0.9
293.21207	100.0
294.21527	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82693	0.4
57.03437	1.5
57.44384	0.4
59.01377	7.1
71.01374	0.8
71.52204	0.5
73.98167	0.4
90.72562	0.4
94.15694	0.4
96.95990	1.4
97.06596	1.0
121.10223	0.9
123.08156	0.8
123.90105	0.4
125.09731	4.2
126.10011	0.5
136.08913	0.7
141.12837	1.2
149.09682	1.3
151.11142	0.5
171.10243	1.5
183.13884	1.8
185.11821	7.8
186.12193	0.6
192.11560	1.0
193.15904	1.4
195.13882	1.3
197.11818	2.3
201.66669	0.4
205.12346	0.8
211.13451	0.6
220.14728	2.7
221.15471	5.2
222.15860	0.4
223.13266	0.7
235.17070	0.5
236.10530	3.2
249.22144	0.8
275.20148	3.4
276.14517	0.4
276.20511	0.4
285.49310	0.3
293.21204	100.0
294.21548	8.9
304.89545	0.4
308.77246	0.4
308.98480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04708	0.7
53.36283	0.8
57.03447	1.5
59.01372	3.5
61.98823	1.8
63.15968	0.7
69.03446	1.2
70.37554	2.6
71.01372	3.4
71.05006	1.0
96.95978	1.0
123.08144	0.9
136.08961	3.8
139.11270	0.9
142.79897	0.9
149.06049	0.9
151.11261	2.0
166.74902	0.8
169.12331	3.0
175.82950	0.8
177.09148	1.2
179.10695	0.7
192.11603	3.4
193.12144	0.8
193.15970	9.0
194.16522	0.9
194.36205	0.7
197.11829	33.5
198.12164	1.6
205.01413	1.0
205.12285	1.3
220.14632	8.8
221.15448	16.0
222.16043	0.8
231.21155	1.3
236.10541	11.1
249.18593	2.7
249.22011	1.2
275.20135	20.6
276.20425	1.2
277.03961	1.2
280.35220	0.7
293.07010	5.0
293.17694	6.0
293.21198	100.0
294.21533	9.4
303.81824	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.9
57.03451	70.9
59.01381	95.4
61.98817	4.1
69.03458	9.2
69.35471	20.3
71.01391	10.2
71.05028	9.0
73.02943	3.1
76.74249	2.3
81.03445	5.0
83.01424	3.0
83.05035	9.8
85.02948	17.0
91.05540	4.4
93.03474	6.3
93.07105	34.5
95.01391	3.5
95.05039	17.3
96.96039	3.0
97.02958	3.2
97.06629	2.5
99.04530	17.2
101.02440	3.8
107.05045	8.7
109.06622	6.3
109.43351	2.2
111.00932	3.2
111.04558	4.1
115.02930	2.8
117.07124	4.6
119.05044	4.4
119.08666	58.2
120.09040	3.1
121.02995	2.4
121.06600	17.3
121.10245	17.0
122.03780	4.3
123.04574	8.2
131.05042	4.9
133.02977	4.7
133.06589	10.4
134.03741	28.6
134.07388	5.6
135.04530	15.4
135.08186	18.2
137.06117	14.6
143.08702	5.5
145.06622	2.7
145.10236	36.0
147.04521	5.8
147.08144	23.3
148.05281	6.9
149.06091	9.5
159.04530	2.9
159.08202	4.0
160.05298	4.4
161.06064	17.2
161.09758	8.2
163.07651	89.0
163.11296	68.1
164.08101	3.5
164.11639	3.3
165.05634	3.0
165.09190	13.1
166.02756	3.8
169.10287	4.6
171.08144	20.3
172.08870	4.9
173.06100	5.6
174.06906	10.5
175.07481	3.5
176.08456	4.5
177.01981	4.2
177.05595	8.7
178.02699	5.3
178.06241	3.2
179.03534	4.5
179.07156	3.5
181.64453	3.0
185.09747	15.8
187.07774	3.0
187.11296	26.7
189.09212	97.1
190.09805	5.2
191.07149	5.1
201.09331	4.9
205.08623	3.0
205.12331	20.7
207.06622	22.6
207.10239	46.3
213.09259	2.7
219.10338	9.0
231.10226	13.9
233.08199	23.8
243.71309	2.2
249.11336	12.9
251.09268	30.8
258.00851	2.4
263.09323	7.9
293.10425	100.0
293.13956	16.1
293.17654	9.6
294.10733	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61392	1.3
57.03456	18.3
59.01386	6.7
67.01881	1.6
69.03455	5.2
69.49699	10.1
71.01383	5.7
71.05014	2.3
71.37776	1.4
72.99306	11.8
73.02946	5.3
73.10217	1.4
79.05518	3.7
80.02684	1.5
81.03457	7.9
83.01383	1.4
83.05034	5.9
85.02953	49.6
87.00874	3.8
87.04513	15.1
89.02435	2.8
91.05515	1.6
93.03461	6.3
93.07088	3.1
95.05022	10.5
97.02934	4.4
97.06604	2.4
99.04515	8.5
105.07124	2.8
106.04215	3.6
107.05038	14.8
108.02163	1.9
109.02946	24.8
109.06590	5.4
111.04522	9.1
113.02449	6.9
119.05024	4.2
121.02932	5.1
121.06619	15.5
122.03722	1.7
123.04520	10.0
123.08189	2.9
125.06079	10.8
129.07126	1.8
131.04996	2.5
133.06599	12.7
134.03711	4.7
135.04529	6.3
135.08163	9.6
136.01447	1.3
137.02403	6.9
137.06056	6.4
139.03995	1.7
139.07635	2.3
141.05609	1.5
143.05016	1.5
143.08653	1.9
145.06583	4.6
147.04500	6.3
147.08154	8.6
149.06087	8.6
149.09755	1.6
151.03996	6.0
151.07626	11.1
157.06535	3.4
159.04497	3.4
159.08119	13.5
161.06082	11.4
161.09731	6.2
163.03926	1.9
163.07669	13.3
165.05537	5.6
165.09224	4.7
171.08168	7.2
173.06032	4.1
173.09697	2.7
175.03955	2.1
175.07635	3.6
175.11208	2.9
177.05565	9.9
177.09209	4.1
178.02803	1.8
179.07109	7.2
185.09724	5.2
187.07693	8.0
187.11261	2.3
188.08374	2.5
189.05547	4.5
189.09210	7.9
191.07126	5.6
191.10785	2.2
193.05072	18.8
195.06619	2.4
201.09200	2.9
203.07155	7.3
203.10828	8.2
205.05043	4.3
205.08685	6.2
207.06592	9.8
207.10294	1.8
208.86838	1.5
211.07480	1.8
213.09235	8.5
216.08015	1.6
219.10332	2.7
221.08157	3.3
221.11812	2.2
229.08604	6.1
231.10249	13.0
233.08179	7.9
234.08554	1.3
247.09755	11.8
249.11310	8.7
257.08136	3.0
265.10739	6.8
275.09186	8.1
293.10315	100.0
294.10724	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	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
58.00577	2.1
59.01379	51.5
71.01381	26.0
71.27870	1.7
72.99311	1.2
73.02929	1.3
75.52946	0.6
80.96526	0.9
83.01386	2.1
85.02942	6.5
85.06590	15.4
87.00871	1.1
89.02442	28.3
95.01403	1.5
96.95990	1.0
99.00900	0.8
100.00383	1.6
101.02437	15.8
113.02460	10.4
113.06088	13.8
115.07629	2.3
119.03499	12.0
120.48019	0.7
127.07629	1.4
131.07140	58.2
132.07468	2.4
143.03508	0.8
147.47876	0.9
173.08206	2.3
179.05608	1.4
185.36674	1.0
193.41145	0.8
195.40921	0.9
196.03764	0.8
211.06210	2.2
223.56622	0.7
293.12427	100.0
294.12808	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	293.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	7.7
59.01373	1.9
65.03967	1.8
66.23989	0.8
67.01869	0.8
68.51984	0.9
69.03445	0.9
70.44044	2.6
71.01376	2.3
73.02940	7.9
79.05533	2.5
85.02944	3.9
87.04512	4.1
91.32578	0.9
93.03460	3.0
95.05019	2.1
97.03002	1.1
104.52361	0.9
105.03471	1.3
105.07109	5.7
106.04245	1.1
107.05012	4.9
109.02959	7.2
117.07099	2.3
119.05019	10.2
119.08643	1.0
121.02977	1.5
121.06599	3.2
123.04526	1.7
129.07104	1.7
130.04195	1.4
131.05016	3.8
131.08633	1.9
132.05838	1.6
133.06599	5.1
134.03752	2.3
135.04491	2.8
135.08247	0.8
139.07643	2.4
139.25290	0.8
143.05019	5.7
144.05804	4.9
145.06592	7.8
146.03767	1.7
147.04535	1.1
147.08156	21.2
148.08513	0.9
149.06081	3.2
151.04079	0.9
155.08636	2.3
156.05779	2.4
157.06598	9.7
157.10150	1.0
158.03748	1.6
159.04533	1.8
159.08147	41.6
160.08429	1.2
161.06081	6.6
162.03180	1.0
163.04129	0.8
163.07634	1.0
165.05469	1.2
167.05002	1.1
167.08691	2.7
168.05801	3.6
170.07343	3.1
171.04460	2.0
171.08153	6.3
173.06047	6.9
173.09708	2.7
174.03189	1.0
174.06815	1.0
175.03979	4.9
175.07625	3.4
177.05545	2.1
177.09126	5.8
180.05826	3.5
181.06570	3.1
183.08138	36.5
184.08505	2.4
185.06009	2.6
185.09709	3.2
186.06833	4.2
187.03966	2.2
187.07614	1.2
188.04758	9.5
189.05553	12.1
189.09196	2.7
191.07133	17.7
192.07449	1.9
195.08133	27.6
195.14500	1.0
196.05299	1.6
196.08488	1.4
197.06082	2.2
198.06836	4.8
199.03943	1.2
199.07635	3.5
201.05566	26.5
201.09190	19.6
202.06116	2.4
203.07132	100.0
204.04344	1.8
204.07347	6.1
211.07596	4.5
213.09198	14.4
214.06425	1.3
215.07130	2.4
217.05167	1.1
217.08685	0.9
219.06738	1.8
219.10240	14.3
220.07353	1.6
221.08157	2.8
227.07216	6.9
231.10196	9.2
239.07133	14.1
240.07622	1.1
242.05992	1.3
245.08186	30.5
245.10719	1.8
246.08557	2.7
249.11366	1.8
257.08182	30.8
258.08521	1.8
261.07706	2.1
263.09216	27.4
264.09634	1.7
275.06116	1.6
275.09241	62.9
276.09604	5.5
293.10321	65.6
294.10593	4.6
314.57153	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.7
69.03456	1.4
69.78651	7.8
70.22681	1.5
71.01378	3.3
73.02931	8.2
76.35548	1.3
77.96478	1.5
78.00266	1.2
79.05517	2.3
85.02956	4.4
87.04517	3.6
87.30131	1.4
91.05539	1.6
93.03427	1.5
95.95316	1.6
96.96020	2.2
97.02917	1.8
98.20653	1.5
102.53293	1.5
105.07084	6.5
107.05019	5.6
109.02955	8.7
117.07095	1.3
119.05032	10.8
119.56309	1.4
121.02862	1.8
121.06586	4.2
123.04485	1.8
129.07112	1.7
130.04236	1.7
131.05008	2.3
133.06570	4.0
134.03748	2.3
135.04483	2.1
139.07675	1.8
141.83093	1.3
143.05031	7.5
144.05878	7.1
144.06773	1.2
145.06567	7.0
147.04503	2.1
147.08159	27.2
148.08485	2.2
149.06042	7.2
155.08687	3.3
157.06561	7.6
159.04442	2.1
159.08148	47.8
160.08464	2.0
161.06096	7.7
167.04961	1.8
167.08673	2.2
168.05850	3.8
171.04549	2.1
171.08125	6.7
173.06120	6.8
173.09647	2.3
174.03209	1.6
175.04010	7.6
175.07620	3.9
176.04813	2.0
177.05658	2.5
177.09201	6.7
180.05725	4.2
181.06572	2.1
183.08134	39.5
184.08376	1.9
185.06078	2.7
185.09619	2.9
186.06836	4.3
187.03935	2.6
187.07565	2.2
188.04771	9.3
189.05609	12.2
189.09172	2.5
191.07095	18.9
195.08139	28.2
196.05313	1.6
197.06039	1.9
198.06866	4.3
199.07603	4.2
201.05566	32.7
201.09183	22.5
203.07127	100.0
204.04268	2.9
204.07430	5.7
211.07620	8.2
213.09195	15.4
214.06218	1.6
219.06798	2.0
219.10258	16.8
221.08162	2.6
224.04652	2.4
227.07152	6.1
231.10196	11.6
239.07129	16.0
245.08176	35.0
246.08525	2.0
257.08197	36.1
258.08514	2.9
261.07693	2.3
263.09201	29.7
264.09753	1.8
275.06152	2.6
275.09229	63.6
276.09644	4.4
293.10297	64.6
294.10861	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	292.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10303	0.4
58.02982	0.9
59.01369	2.0
61.98845	0.6
70.02348	0.4
71.01360	0.8
98.56483	0.4
156.13930	100.0
157.14287	4.8
164.08362	0.6
168.70868	0.5
171.10298	0.7
192.11543	0.7
195.13931	0.9
200.12912	4.5
203.07268	0.6
205.08731	0.5
220.14667	5.0
221.15457	9.2
231.21030	0.5
234.07744	0.6
236.10535	8.1
264.20572	0.5
275.20230	1.4
292.11908	2.7
292.19949	6.8
293.17651	2.0
293.21225	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	292.1919
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
53.06252	0.4
58.02980	0.9
59.01374	1.7
63.24669	0.4
66.53898	0.4
71.01395	1.0
71.53206	0.8
82.03437	0.4
82.21670	0.4
112.08456	0.7
121.10248	0.6
122.10519	0.5
125.29779	0.4
149.08122	0.4
156.13933	100.0
157.14296	4.7
171.10251	1.7
174.03236	0.5
177.09108	0.7
200.12894	4.8
203.03580	0.9
205.08673	0.9
205.12291	0.7
220.14674	4.4
221.15466	9.0
236.10524	7.9
248.06860	1.5
274.18973	0.8
275.20255	2.3
277.10715	2.2
292.11856	4.7
292.19952	13.5
293.17590	2.1
293.21228	6.2
308.87747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67240	0.4
59.01376	2.4
70.10579	1.1
70.10964	0.8
71.01382	5.8
72.99303	0.8
73.02946	7.4
78.66412	0.4
84.18440	0.4
87.00859	2.5
89.02445	28.6
103.03389	0.6
103.04015	6.7
105.01935	15.4
108.90205	0.5
119.33134	0.4
131.03525	1.9
149.04552	100.0
150.04916	4.1
173.69356	0.4
184.50240	0.6
198.15312	0.4
213.85274	0.5
220.18449	0.4
230.83830	0.5
264.01465	0.7
293.02786	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16989	5.3
57.03444	51.8
59.01376	17.1
69.03469	12.6
69.43076	31.3
69.43479	9.4
71.01385	15.7
72.99292	6.4
73.02952	11.2
79.05521	5.0
81.03486	8.1
83.01376	14.7
83.04932	4.8
85.02948	39.1
87.04517	7.6
93.03464	5.7
95.05003	8.9
96.96017	29.4
97.02943	5.9
105.07109	16.8
105.32565	5.0
106.04245	10.2
107.05034	16.1
107.08660	51.8
109.02966	14.4
111.00879	23.9
113.02456	34.0
117.07098	5.7
119.05055	8.2
121.02927	14.5
121.06615	22.6
123.04532	9.3
131.05011	9.9
133.06596	32.2
134.03731	13.8
135.04526	10.3
135.08159	45.6
137.02385	5.4
137.06084	10.8
143.05040	7.4
145.06592	9.8
147.04550	10.1
147.08138	18.2
148.05296	5.4
149.06108	30.0
149.09702	29.3
151.07648	17.5
157.06673	8.2
159.04594	8.0
159.08128	20.2
161.02556	7.3
161.06088	85.2
161.09747	11.4
163.07658	39.7
165.05557	6.1
171.08156	7.9
173.06033	12.4
175.07634	7.3
177.05577	15.0
177.09195	58.7
185.09741	9.6
187.03998	11.6
187.07570	12.7
188.08405	6.8
189.05577	18.9
189.09154	28.1
191.07121	31.4
193.05025	8.8
201.09174	14.4
202.06435	5.8
203.07027	9.5
203.10806	17.4
205.05034	17.4
213.09161	18.7
216.08023	8.2
217.05049	23.8
219.10225	100.0
221.08127	6.8
229.08620	6.0
231.10272	50.4
235.06102	6.9
245.08055	9.5
247.09578	8.2
263.09293	47.7
265.10797	7.0
275.09225	36.9
293.10455	75.7
293.13666	9.1
294.10635	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19089	1.0
56.38639	0.8
57.03440	2.2
61.74935	0.7
62.25368	0.7
70.00317	3.1
76.52085	0.8
77.42016	0.7
93.07123	1.7
95.77314	0.8
97.06564	1.7
103.94670	0.9
121.10242	12.6
123.08141	1.2
125.09731	7.0
127.04518	0.9
141.12874	1.1
167.14481	0.8
185.11818	16.3
186.12175	0.9
197.11781	4.2
209.11812	1.8
211.13315	2.0
223.13492	1.5
247.13394	1.0
247.20746	1.2
273.18573	1.7
289.17935	0.8
291.19647	100.0
292.19928	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	291.1966
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
58.46804	0.4
59.01377	0.7
70.32386	0.4
71.51472	0.7
73.02945	60.1
74.03283	1.2
75.00893	0.5
75.77320	0.4
75.99147	0.5
79.95761	0.7
85.02988	0.5
136.41249	0.4
177.12556	0.5
221.32925	0.5
247.02551	0.7
291.19659	100.0
292.20023	11.2
293.05060	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
59.01379	3.2
69.03428	0.4
69.72034	1.5
71.01386	0.5
71.05018	6.0
80.02661	0.3
80.96564	0.3
81.03458	0.4
83.05031	1.3
85.06587	0.9
93.03472	0.4
95.05035	0.5
97.06593	2.9
107.05051	0.6
109.06600	0.5
111.08141	1.1
119.04986	0.4
121.02950	0.5
121.10215	0.7
123.08154	0.5
125.06062	0.4
125.09715	1.0
125.97157	0.3
135.11757	0.4
137.06030	0.3
137.09674	0.3
141.09290	0.3
151.11253	0.6
156.13934	10.3
156.62871	0.3
160.17903	0.3
163.11319	1.7
164.07176	0.5
165.12840	6.1
167.10812	0.4
175.14928	0.8
177.12845	0.7
179.14395	0.9
181.12360	0.9
183.13863	0.3
185.11832	0.6
189.16447	1.1
193.16000	1.1
195.13838	0.5
203.68860	0.3
205.16132	0.3
207.13817	0.7
209.11809	0.7
217.15901	0.7
219.13939	0.5
223.13342	0.4
225.83894	0.3
229.19576	2.4
233.15436	4.4
234.15813	0.4
235.17062	0.5
245.19092	0.4
247.02544	0.8
247.20654	4.9
248.21027	0.4
263.20139	2.8
273.18567	7.5
274.18896	0.6
291.19650	100.0
292.19980	10.2
292.23260	0.5
305.96472	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.90909	0.6
57.03030	0.6
57.03441	0.6
59.01374	3.9
69.18883	3.5
69.19305	2.2
121.02947	1.2
197.09554	0.8
209.04588	0.8
211.33513	0.6
217.11818	0.6
247.02399	1.4
247.16940	1.3
247.20633	0.9
248.14151	1.2
249.14804	1.1
257.50659	0.6
273.18625	1.0
291.19635	100.0
292.19949	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	291.1967
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.01372	0.7
69.38422	2.2
71.01358	0.5
81.80448	0.3
83.60815	0.3
95.05069	0.4
97.06600	0.4
119.05017	0.5
125.06071	0.6
125.14872	0.3
130.98935	0.3
148.08926	1.8
150.10497	0.9
151.11288	0.8
163.11288	1.4
165.12843	22.1
166.13197	1.2
175.11253	0.5
176.12021	0.8
177.12799	0.5
179.14409	0.5
191.14400	0.8
217.15932	0.6
223.13428	0.3
245.19130	0.4
247.20677	10.2
248.21027	1.3
273.18604	6.4
274.18900	0.7
291.19653	100.0
292.19995	8.7
292.23254	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
56.52275	0.4
59.01382	3.6
60.54340	0.4
63.29415	0.4
66.23225	0.4
69.03467	0.6
69.58007	0.4
70.83327	1.2
71.05021	38.6
72.05357	0.8
83.05013	0.8
97.06584	10.9
102.86935	0.4
106.10075	0.4
109.06578	0.5
121.10181	0.5
123.08198	0.9
133.06602	0.9
147.08110	0.5
163.14944	0.9
175.14909	0.7
181.12341	2.4
190.09935	0.7
193.16074	0.6
195.13914	1.2
207.13899	3.9
208.14101	0.5
217.15894	0.6
219.13872	4.8
231.12152	0.8
231.14206	0.5
235.17041	4.9
236.17212	0.4
247.20668	3.2
273.18518	2.2
291.19647	100.0
292.19977	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50677	0.3
57.03445	0.3
59.01361	0.6
71.53292	0.4
74.02429	0.3
82.02995	0.3
97.06589	0.7
99.08157	4.2
105.01889	0.3
113.09728	5.6
116.91815	0.3
121.08947	0.3
141.09212	1.2
152.01892	1.9
157.08655	1.4
159.10263	100.0
160.10594	3.3
203.11018	0.5
244.62378	0.3
291.09241	0.6
291.14600	4.6
313.54898	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50677	0.3
57.03445	0.3
59.01361	0.6
71.53292	0.4
74.02429	0.3
82.02995	0.3
97.06589	0.7
99.08157	4.2
105.01889	0.3
113.09728	5.6
116.91815	0.3
121.08947	0.3
141.09212	1.2
152.01892	1.9
157.08655	1.4
159.10263	100.0
160.10594	3.3
203.11018	0.5
244.62378	0.3
291.09241	0.6
291.14600	4.6
313.54898	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18204	1.2
50.27621	1.4
51.74099	1.1
54.54977	1.2
55.01880	9.8
57.03452	8.6
58.00585	2.0
59.01376	56.6
62.06819	1.1
62.89389	1.1
71.01380	81.2
71.21738	1.5
71.22077	2.2
72.99305	5.1
73.02941	38.1
83.01380	21.0
83.58621	1.3
85.02949	53.3
85.03472	2.7
86.00100	3.3
87.00860	3.2
89.02435	5.7
95.01402	5.1
96.96029	2.6
99.00881	15.4
101.02440	100.0
107.28905	1.2
107.36086	1.2
110.65134	1.5
111.00850	3.2
113.02447	30.1
113.60165	1.2
125.02446	2.7
127.11265	2.5
129.01982	1.8
129.12836	3.5
143.03539	2.6
154.17641	1.3
159.03023	7.1
161.04546	20.9
169.62494	1.4
171.08170	1.6
179.03445	2.3
187.18016	1.2
190.01492	1.3
197.09688	11.6
200.70743	1.6
203.10579	1.7
205.03467	1.5
215.10744	1.6
223.53006	1.4
243.29150	1.2
247.09592	1.7
259.09702	3.1
276.10098	1.4
291.12857	6.4
291.18115	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	291.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83435	1.6
55.01875	2.9
55.47168	1.7
57.03431	7.0
58.00595	4.6
59.01379	100.0
60.43946	2.0
61.20508	1.6
61.98837	1.8
67.05537	3.1
69.03442	2.0
70.66592	3.8
71.01382	86.0
72.99307	5.5
73.02937	16.4
75.00883	2.4
79.95731	3.9
80.96512	7.2
83.01390	12.3
84.02172	2.4
85.02947	36.5
87.00876	5.7
89.02446	62.1
95.01375	4.0
96.96013	25.5
97.06590	2.6
99.00890	8.6
101.02440	74.3
101.03111	3.6
102.02777	1.9
111.04510	7.5
113.02445	34.0
119.03511	27.4
119.05016	5.2
124.56860	1.7
124.98842	4.5
125.99099	1.6
126.99184	1.7
129.01924	2.8
129.05579	7.6
131.03569	1.9
136.61993	1.6
142.99864	2.5
143.03471	4.7
145.00348	3.3
145.01389	3.0
145.03162	1.9
149.04514	2.5
152.91742	1.8
159.03008	5.4
159.06622	5.9
161.04568	14.4
163.03955	3.8
166.02747	4.2
167.03308	2.0
181.05058	2.5
196.03703	4.1
204.59320	1.7
211.06113	6.1
247.11893	17.4
263.42471	1.8
291.01709	5.6
291.05511	3.3
291.10925	37.5
292.11121	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	291.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.9
69.03451	1.3
70.18113	1.2
71.01371	1.5
72.91666	0.4
73.02950	1.2
79.95733	6.0
80.96532	3.4
82.02994	1.0
83.01368	0.5
83.05038	0.8
84.99178	0.4
85.02943	1.0
87.00852	0.5
89.02439	0.5
93.03434	0.6
95.05029	10.0
95.95225	2.9
96.96008	23.8
97.06584	62.0
98.06927	1.8
101.04285	0.5
115.07647	19.3
117.03475	0.7
119.05026	10.6
120.99660	0.9
131.03510	0.9
141.05586	3.1
145.02942	1.0
147.04465	0.5
149.04625	0.5
151.03920	0.5
151.24373	0.4
152.01855	0.6
159.06622	100.0
160.06931	3.3
161.00960	0.8
163.03999	7.3
164.07178	0.9
181.05066	7.7
196.07394	7.0
203.07506	0.6
211.09705	4.6
216.30005	0.5
246.07693	1.6
274.07294	0.6
276.02917	0.6
291.05432	10.9
291.08768	5.1
291.10938	9.0
291.17902	1.0
292.05701	0.4
292.11404	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61484	0.5
58.99559	0.6
59.01364	1.0
59.22391	0.5
66.03282	0.6
69.68581	1.7
69.68983	0.9
71.01407	0.5
73.02948	0.5
79.95737	53.7
80.96529	1.3
89.02493	0.5
93.16825	0.6
95.01369	1.2
96.96004	2.3
97.02949	1.3
97.06577	2.5
101.02406	0.7
107.05027	1.1
115.07642	2.6
119.05020	5.5
123.00007	0.5
137.02493	1.1
149.06021	0.6
151.04025	5.2
153.05595	4.1
158.08269	0.9
159.06656	5.6
159.08580	1.5
161.01022	0.8
163.04065	4.1
179.03468	2.4
180.03804	0.6
181.05074	100.0
182.05373	4.0
184.60344	0.6
194.05876	2.7
195.06528	0.6
196.07413	85.7
197.07724	2.8
203.11108	0.7
209.08168	1.2
211.09766	63.4
212.10136	4.2
229.36133	0.6
273.22641	0.5
274.10358	0.6
276.03070	2.5
291.05469	96.7
292.05737	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	291.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01344	1.1
69.03425	2.1
69.21927	5.9
71.01342	0.8
73.02906	0.9
74.94812	0.6
79.95734	20.5
80.96485	2.5
82.96076	1.1
95.01380	0.9
95.04511	0.8
95.05032	9.4
95.95200	2.1
96.96010	16.3
97.06588	64.4
98.06924	1.8
102.86073	0.7
107.61008	0.6
115.07649	17.8
119.05021	7.8
131.03441	1.1
141.05550	2.7
149.04500	1.1
151.03995	1.4
152.01866	1.0
153.05602	1.1
159.06625	100.0
160.06947	2.8
163.04021	7.4
178.02831	0.7
179.03471	0.8
181.05063	34.3
182.05423	1.5
185.25215	0.6
194.05872	1.3
196.07407	29.6
197.07822	1.5
209.08092	1.0
211.09746	23.5
212.10083	0.9
226.15591	0.6
248.40114	0.6
276.03049	2.3
291.05560	32.7
291.08875	6.5
291.11090	9.2
292.05865	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2176
Annotation	Ardisinol II
Peak:m/z	Relative Intensity
51.93129	0.4
55.28965	0.3
59.01366	0.5
71.51346	0.4
71.51767	0.4
94.78472	0.3
114.41538	0.4
162.92554	0.4
193.79283	0.4
224.35107	0.4
288.99969	0.5
289.21719	100.0
290.22092	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0544
Annotation	127-74-2
Peak:m/z	Relative Intensity
56.01567	0.3
57.03439	0.3
59.01369	0.8
69.66813	1.3
74.02498	0.3
79.95734	16.7
80.96501	0.5
81.95318	0.5
94.63868	0.3
95.95234	5.7
96.96011	100.0
97.95943	0.5
99.28625	0.3
101.04298	0.5
110.97594	0.5
119.05035	5.3
119.60209	0.3
122.97567	0.8
141.95752	1.1
151.03984	0.6
159.06801	0.3
161.00992	1.4
163.04015	3.8
169.08757	0.3
171.75975	0.3
177.03764	0.3
177.22150	0.4
179.03522	1.8
181.05162	1.8
194.05811	1.2
196.07494	1.7
209.08199	1.1
211.09888	1.8
276.03079	20.5
277.03436	0.8
291.05478	48.2
292.05698	2.5
311.23840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
71.29823	1.3
82.87056	0.8
83.05023	2.6
85.06603	3.2
117.12823	0.8
125.06077	1.4
133.06573	1.3
133.10214	0.7
135.04478	1.5
147.04507	3.2
147.08147	3.9
148.05330	1.3
149.06052	1.8
160.05272	5.8
161.06084	5.2
161.09695	1.2
162.06865	47.3
163.07419	3.0
164.08429	7.9
174.06844	7.9
175.07632	47.0
176.08406	8.0
177.09232	1.2
177.34436	0.7
178.09917	0.7
186.06818	1.0
187.07642	2.4
188.08383	2.8
189.09203	11.8
190.09959	7.7
191.10768	8.2
192.10927	0.8
193.12283	1.3
200.08409	0.9
201.09215	7.9
202.09952	4.9
203.10756	4.5
203.14450	0.8
204.11562	7.9
205.12135	0.9
213.12727	4.1
215.10745	9.6
216.11530	48.1
217.12016	4.7
218.13120	1.4
219.13899	9.8
230.12967	1.1
231.13892	38.0
232.14285	3.6
246.12569	2.0
248.14091	4.4
249.05582	0.8
256.14771	1.7
271.17029	2.3
272.17581	0.9
274.15729	29.0
275.16098	2.6
287.16437	1.2
288.17395	1.3
289.18088	100.0
290.18460	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
62.88725	0.7
64.25038	0.6
70.95685	1.4
74.44103	0.7
83.05016	2.6
85.06582	2.7
96.36421	0.5
100.74773	0.5
125.06026	0.6
133.06609	0.7
135.04543	1.3
147.04500	1.6
147.08170	3.7
148.05244	1.7
149.06046	1.7
160.05304	5.6
161.06094	5.1
161.09697	1.3
162.06868	47.0
163.07352	2.4
164.08417	8.2
167.85078	0.6
173.05994	1.4
174.06859	5.6
175.07646	41.5
176.08397	10.3
177.09106	1.8
187.07716	2.8
188.08389	2.1
189.09233	11.8
190.09927	4.9
191.10802	9.9
192.11081	0.8
193.12392	1.0
197.09802	1.3
197.30711	0.6
200.08472	0.7
201.09230	7.0
201.12965	0.7
202.09959	5.8
202.28526	0.6
203.10809	4.4
204.11533	8.3
205.11931	1.0
213.12843	2.8
215.10767	10.5
216.11543	45.1
217.11984	5.8
218.13017	1.7
219.13916	9.7
230.13023	1.7
231.13879	37.4
232.14262	3.2
246.12556	2.9
247.13448	0.8
248.14091	3.9
256.14667	1.0
259.13351	1.0
271.17038	1.8
274.15741	27.7
275.16061	2.3
287.16409	1.7
288.17242	0.9
289.18076	100.0
290.12253	1.1
290.18414	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	289.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
59.01369	0.8
69.03463	1.3
71.50102	0.4
73.10590	0.4
79.95739	0.6
97.06587	1.0
98.20685	0.9
106.06627	0.8
111.08157	1.0
117.03467	3.9
122.06093	0.5
127.00389	0.8
127.07595	0.4
131.03435	0.5
141.75255	0.5
150.05634	0.4
153.50502	0.4
157.08693	100.0
158.09021	3.8
161.02493	0.7
179.03592	0.9
194.05807	1.1
209.08255	0.6
247.15529	0.5
289.03833	2.3
289.07275	0.5
289.12979	8.0
290.13068	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01364	0.3
71.53250	0.3
79.82481	0.2
81.07093	0.3
83.05009	0.7
87.25079	0.2
102.34092	0.2
109.06551	0.3
121.06599	0.2
122.03734	0.3
125.06108	0.3
133.06592	0.4
134.03688	0.2
135.04543	1.4
135.08168	0.4
136.05261	0.8
137.06053	0.2
147.04504	0.9
147.08176	1.2
148.05284	1.0
149.06049	1.2
150.06848	1.4
151.07564	0.3
159.04477	0.2
160.05293	1.7
161.06076	2.9
161.09686	0.9
162.06856	12.5
163.07642	2.5
163.11293	0.2
164.07071	0.4
164.08420	6.5
164.09789	0.4
165.08983	0.7
173.06114	1.1
174.06853	8.2
175.07632	17.5
176.08411	8.3
177.09018	0.8
178.09973	1.5
179.10663	0.2
181.61539	0.2
187.07657	0.6
188.08412	2.4
189.09206	18.6
190.09937	4.8
191.10770	7.5
192.04297	0.5
192.11243	0.4
193.12341	4.5
194.12575	0.2
197.09888	0.2
201.09195	1.1
202.09991	4.7
203.10672	1.5
204.11545	2.5
213.09248	0.3
213.12697	0.3
214.09982	0.5
215.10764	1.6
216.11496	1.9
217.12202	0.8
218.12944	0.3
219.13866	0.8
228.11539	0.4
229.12225	0.6
230.13025	1.4
231.13896	4.1
241.12328	0.9
243.17548	0.3
244.14688	1.1
246.12651	2.1
248.14221	1.2
256.14673	6.6
256.17374	0.4
257.15045	0.9
259.16992	5.1
260.14294	0.3
260.17288	0.5
261.15125	0.3
261.18509	0.4
271.17026	10.2
272.17496	1.1
273.14893	0.3
274.15735	20.3
275.16028	2.1
287.16483	0.7
288.17316	1.0
289.18073	100.0
290.18414	8.6
303.15988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
59.01382	0.8
70.01343	0.4
83.05022	0.8
98.19859	0.8
113.02453	23.4
125.06033	0.5
131.33734	0.4
135.04480	1.5
136.05257	0.7
147.04533	1.3
147.08150	1.2
148.05315	0.9
149.06070	1.0
150.06845	1.5
159.04543	0.6
160.05263	2.3
161.06111	2.7
161.09673	0.8
162.06860	14.0
163.07541	1.9
164.08420	6.7
164.64145	0.5
167.51215	0.4
173.06133	1.0
174.06848	7.4
175.07645	17.2
176.08429	9.4
177.09058	0.9
178.10013	1.4
187.07681	0.5
188.08432	2.1
189.09203	19.7
190.09959	5.5
191.10777	8.6
192.11263	0.9
193.12325	5.3
201.09242	1.3
202.10002	4.9
203.10760	1.6
204.11501	2.2
215.10782	1.5
216.11449	2.3
217.12221	0.6
219.13881	1.5
229.12335	0.9
230.13124	1.0
231.13849	5.0
241.12357	1.1
244.14703	1.5
246.12578	1.8
248.14149	1.5
256.14685	7.0
257.15146	0.6
259.17038	5.6
271.17026	9.2
271.27652	0.5
272.17468	0.8
274.15741	21.6
275.16058	2.3
287.16446	0.9
288.17072	0.9
289.07214	1.7
289.18085	100.0
290.18436	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	289.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86800	0.6
57.39925	0.5
58.22870	0.5
59.01368	1.6
69.29607	1.1
69.30009	4.2
69.54736	0.5
71.01370	1.5
75.35011	0.5
77.36782	0.5
77.78907	0.6
79.26556	0.6
79.95734	24.5
80.96510	2.4
87.00838	0.6
88.04042	6.1
93.03465	0.6
96.96013	4.5
98.20687	1.1
109.02999	0.6
115.00341	1.7
121.02885	0.8
122.06158	0.7
123.04526	0.7
132.03050	3.6
137.02342	0.5
151.04008	10.1
157.08646	3.4
171.10281	1.3
173.07257	0.7
174.05560	1.0
177.09399	0.6
179.03491	100.0
180.03847	3.8
193.05043	1.1
194.05829	98.4
195.06184	5.1
203.12225	0.6
209.08182	73.9
210.08531	4.4
245.09453	0.7
271.15668	0.7
274.01401	1.1
289.03873	76.3
289.07571	3.2
289.12488	2.2
289.16287	3.8
290.04135	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	289.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61483	0.6
55.07859	0.5
63.26596	0.6
68.99815	2.6
69.78708	3.6
76.36888	0.7
79.05534	1.0
79.95735	39.2
96.95999	3.0
99.00894	2.9
105.03496	1.1
107.05003	1.0
108.02219	1.1
117.03464	19.2
117.04288	1.0
123.04534	10.6
127.00351	3.9
141.03461	2.9
151.04008	23.2
152.04411	1.1
153.01900	0.9
157.08688	12.1
161.02440	7.7
163.04059	1.6
164.01111	0.7
165.05621	0.8
166.06352	3.4
179.03494	100.0
180.03903	4.2
185.02376	0.9
193.05139	0.8
194.05830	83.6
195.06136	4.1
202.02913	0.7
209.08189	70.3
210.08514	4.2
216.39575	0.7
217.05087	0.9
229.01578	0.7
274.01410	1.9
289.03860	99.2
290.04233	5.5
302.32077	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44928	3.3
57.03448	5.4
59.01376	20.1
59.49636	3.1
60.43943	3.0
61.98818	8.1
66.20890	3.1
69.03461	5.6
71.01383	21.4
71.05023	3.9
71.50348	3.0
72.99318	9.6
78.95889	8.0
80.96525	20.3
82.96083	4.6
83.01363	4.7
83.46045	3.2
85.02942	9.8
87.00876	73.3
89.02443	5.5
95.05022	4.1
96.96964	11.4
96.99303	10.4
97.02931	4.1
97.06584	15.4
99.00864	14.1
101.02438	6.1
108.02145	3.9
109.02998	3.5
109.06593	4.5
113.02384	4.4
113.06109	16.8
115.00367	8.6
117.03451	4.8
118.98089	15.5
121.06587	4.3
123.04533	10.2
124.98809	72.3
125.06097	9.1
127.04029	3.7
127.07607	8.3
129.01949	11.5
129.05614	4.1
133.01469	3.1
135.04462	4.3
137.06087	17.9
139.07651	15.3
142.99860	100.0
147.02962	4.4
149.04887	3.2
149.06064	16.5
151.07668	6.0
153.05539	11.2
155.07153	23.1
157.05054	10.5
165.05507	3.7
167.07132	26.8
174.01682	8.0
174.07672	7.2
182.24310	3.3
184.97675	5.8
202.98779	6.8
208.88354	3.4
209.04514	4.3
271.10843	5.1
289.06854	4.5
289.09412	47.6
290.09540	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	288.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63065	0.5
54.45675	0.5
57.03437	0.6
59.01368	1.3
69.47381	0.5
71.01374	0.8
71.50766	0.6
71.51151	0.6
71.57976	0.5
79.95705	0.6
80.96521	3.5
83.01344	0.5
87.00877	0.8
87.04504	0.7
93.83665	0.6
96.96004	1.2
99.92565	1.0
113.06133	1.2
114.05606	100.0
115.05951	2.6
122.06128	1.1
124.43779	0.5
130.08746	0.5
131.03543	0.6
136.07654	0.7
144.04558	1.3
149.04834	1.8
156.06650	73.3
157.05084	0.8
157.06970	1.7
188.03471	0.8
229.09782	0.7
244.12909	0.8
271.10919	4.5
288.05362	0.7
288.10907	1.3
288.15378	0.7
289.12079	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1603
Annotation	Mesembrine
Peak:m/z	Relative Intensity
51.93121	0.3
59.01389	0.5
69.58807	1.7
81.03461	1.1
86.41598	0.4
92.05074	0.9
93.03462	1.7
107.03742	0.6
108.02152	0.5
108.04557	5.0
109.02961	4.9
121.02950	0.4
124.01625	0.3
127.81179	0.4
133.02933	0.8
134.02480	40.3
135.03300	9.4
136.04041	41.6
137.02437	1.7
137.04388	1.2
147.04610	0.4
148.04044	0.9
149.04854	1.5
162.06851	0.7
175.07582	0.8
175.16794	0.3
176.03540	4.8
177.04265	0.8
190.05093	0.9
192.04286	1.2
202.09869	0.3
231.13728	0.6
274.02582	0.3
274.15750	0.5
288.16040	100.0
289.16144	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	289.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86055	0.9
58.36504	0.9
59.01369	2.0
61.96776	0.9
71.01374	1.2
71.52189	1.7
79.95738	46.8
80.96513	17.2
93.03474	1.4
105.03464	1.5
113.02505	1.1
113.97225	1.0
116.43153	0.9
117.03439	1.2
119.08665	2.6
120.44167	0.9
123.04517	1.6
131.31270	1.0
133.02960	2.7
151.03995	4.7
161.02441	16.5
173.09718	1.1
179.03496	93.1
180.03902	5.0
192.72812	1.0
194.05838	100.0
195.06230	5.2
209.08194	66.1
209.10284	0.9
210.08560	3.4
219.52782	1.0
245.19392	1.5
274.01559	2.3
289.03891	65.8
289.10779	2.6
289.14777	1.1
289.18146	5.1
290.04153	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	289.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85781	0.9
59.01371	2.7
69.50489	6.0
69.91677	1.0
74.99089	1.3
79.95747	5.1
85.02956	0.9
87.00862	1.4
97.78178	0.8
123.04518	1.5
134.01047	1.0
151.04010	12.3
157.08707	3.2
179.03488	83.3
180.03802	3.2
186.94946	1.0
193.05116	1.4
194.05827	100.0
195.06136	4.8
201.09492	5.3
209.08186	76.6
210.08531	2.3
289.03873	61.8
289.11108	5.9
289.15469	1.2
290.04166	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	287.2228
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
54.86242	0.2
59.01394	0.3
64.03060	0.2
70.82305	0.5
78.95892	0.4
83.05038	0.3
86.70531	0.2
89.02475	0.2
96.32960	0.2
97.06590	0.4
99.08149	1.9
99.95921	0.3
102.53870	0.2
126.68741	0.2
127.11271	0.2
129.09221	0.9
141.12863	2.3
155.14441	0.7
169.10541	0.6
174.06783	0.5
175.07750	0.2
189.09180	1.6
199.11562	1.0
201.09323	0.3
202.10048	0.6
213.09216	0.3
216.11548	0.9
221.19249	0.3
223.20770	0.3
231.13916	0.9
239.20142	0.5
240.33252	0.2
241.21767	1.3
243.14114	0.3
253.57950	0.3
257.15680	0.3
269.21216	3.3
269.47144	0.2
272.14093	0.3
285.20691	2.2
287.22266	100.0
288.17322	0.4
288.22629	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	288.0766
Annotation	Bouchardatine
Peak:m/z	Relative Intensity
59.01380	7.7
60.03502	0.3
71.01377	0.7
71.34474	0.3
71.34809	0.4
74.02470	0.6
78.95917	0.4
82.06609	0.5
88.04063	0.4
90.97142	1.4
91.62785	0.3
96.96970	0.5
107.03652	0.4
114.05621	1.1
117.00459	0.7
118.00505	0.4
127.98993	0.3
128.07176	0.6
130.08739	100.0
131.09094	2.7
132.98192	0.8
134.04704	1.6
141.98212	0.8
142.96611	1.1
142.99831	0.4
149.04539	0.3
155.10634	0.3
156.06633	0.7
159.01508	0.4
160.97685	0.8
162.95602	0.3
165.55704	0.3
170.00217	0.3
170.99660	0.5
171.98224	0.3
174.99240	1.2
184.97719	2.3
187.98756	0.5
190.00275	0.3
198.99353	0.4
200.13983	0.5
202.98784	2.4
227.97786	1.5
244.05058	2.8
244.12868	0.7
246.06549	2.5
279.35867	0.3
288.07651	56.5
289.07965	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	287.1499
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
50.23156	0.7
52.14896	0.7
57.03431	0.9
59.01377	76.8
60.01810	0.7
69.43438	0.7
69.69942	4.4
99.04519	1.0
117.56853	0.7
138.38399	0.8
140.75685	0.8
149.60770	0.7
160.28745	0.9
165.12813	1.0
189.35258	0.9
207.13876	3.2
209.11833	7.0
216.16618	0.8
225.14961	6.6
227.12865	54.5
228.13231	1.5
251.12802	1.5
269.13925	19.7
287.14978	100.0
288.15277	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	287.2017
Annotation	trans-Dehydroandrosterone
Peak:m/z	Relative Intensity
57.03463	0.4
59.01341	0.9
68.72543	0.3
70.37355	0.8
70.37693	0.5
78.70314	0.3
84.05749	0.4
99.92554	0.4
105.28969	0.3
127.83363	0.3
133.75523	0.4
217.93336	0.4
248.52643	0.4
287.20148	100.0
288.20496	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	286.9868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00502	0.3
57.03436	0.3
59.01363	1.2
73.02926	0.4
74.04305	0.3
79.95724	0.5
80.96518	3.6
83.05023	0.5
85.02968	0.5
87.04494	0.5
94.16164	0.3
96.95994	2.6
98.06116	0.3
98.20667	0.9
108.02174	1.3
109.06586	0.3
129.49101	0.3
136.00912	0.3
136.01678	3.1
150.70869	0.3
155.07089	0.3
162.53448	0.3
164.01140	2.0
164.23959	0.3
165.35406	0.3
168.39027	0.3
190.99835	0.9
192.00633	100.0
193.00946	4.6
207.02972	92.5
208.03308	4.9
286.98679	13.5
287.01233	0.4
287.05505	0.7
287.11725	0.5
287.14874	2.6
287.99020	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0926
Annotation	2,3-Dimethoxy-4,6,7-trihydroxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
59.01389	0.5
71.01381	81.4
71.52878	0.5
72.01731	1.2
81.92902	0.4
86.08189	0.4
90.36098	0.5
117.03443	1.3
125.02483	0.5
135.20576	0.4
143.08667	0.7
151.00456	0.4
159.04489	0.5
171.04454	0.8
172.05266	0.6
173.06085	0.9
175.03987	1.0
185.06000	0.9
186.06679	0.6
187.03931	0.7
187.07568	0.7
189.05562	17.4
190.05919	0.8
197.06104	1.7
198.06831	0.8
199.04018	0.9
199.07686	3.1
200.04861	0.7
200.08340	1.1
203.07091	1.6
205.11440	0.6
211.07661	0.6
212.04750	1.1
213.05656	0.8
215.03600	1.4
215.07114	44.0
216.07579	3.0
227.03578	2.2
227.07082	3.0
228.07909	1.0
229.05109	1.2
229.08582	0.7
230.05844	0.9
231.06601	0.5
232.07434	0.6
240.04271	6.3
241.05023	4.3
243.02893	1.1
243.06627	0.6
255.06609	13.3
257.04578	0.9
257.08124	1.2
258.05322	3.1
259.09735	3.0
262.04788	0.5
272.03137	0.6
287.02240	2.0
287.09241	100.0
287.22247	9.3
288.09534	7.2
304.05859	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85026	2.5
57.03447	13.9
59.01397	6.4
69.57931	14.5
71.01379	4.1
73.02938	9.9
73.22929	3.1
79.95721	3.2
80.96522	9.4
83.05042	2.9
85.02956	19.4
87.04512	57.7
88.85085	2.7
91.06232	2.4
93.07092	2.7
98.00095	25.4
99.00880	7.7
109.06584	7.5
111.04562	2.6
111.08162	61.7
114.05614	5.6
115.99343	2.5
123.08152	3.3
125.05178	2.9
125.06060	3.2
125.09663	3.6
128.46092	3.2
137.09735	16.8
139.07678	3.3
141.09192	12.4
153.12833	3.4
154.39636	2.6
155.07037	3.1
156.38847	3.4
157.66693	2.8
163.11298	11.5
181.12352	26.9
199.13396	17.0
207.32533	3.1
225.11484	2.9
243.12349	100.0
244.12712	4.4
277.34521	3.1
287.11304	5.7
287.14908	8.5
293.21030	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	287.1501
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
50.16992	0.8
57.03445	16.6
59.01379	45.7
69.14875	0.6
69.64949	4.7
71.01376	2.3
71.05013	2.6
73.02942	2.2
74.99083	1.2
79.95745	1.1
80.96499	0.8
83.05008	1.3
84.74486	0.6
97.03023	0.8
97.06593	1.3
99.04520	1.1
100.00146	0.7
107.08681	1.4
115.03986	3.8
121.06567	1.4
123.08106	0.8
135.04466	0.8
135.08099	0.6
141.09161	1.4
145.05060	1.2
153.12863	2.5
155.07120	2.6
163.14986	1.0
165.12842	4.1
177.01944	0.9
182.07632	0.7
195.13930	0.9
197.11818	3.6
201.11342	1.4
207.13860	4.1
209.11829	4.9
220.31380	0.7
225.14967	12.0
227.12871	76.8
228.13190	3.8
245.13933	2.6
249.56404	0.8
251.12953	2.2
269.13913	18.5
287.02048	1.7
287.14993	100.0
288.15320	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	285.1858
Annotation	CHEBI:70567
Peak:m/z	Relative Intensity
78.51074	0.3
78.91990	0.3
78.95899	0.6
80.56271	0.3
89.80079	0.3
98.19909	1.1
106.99674	0.3
108.54914	0.4
123.04481	0.8
129.79398	0.3
157.78244	0.3
229.03084	0.5
285.03995	1.0
285.18576	100.0
285.26871	1.6
286.18930	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	285.2072
Annotation	Hexadecanedioate
Peak:m/z	Relative Intensity
54.09060	0.4
55.36417	0.3
57.03450	0.8
65.00311	0.5
69.03421	0.3
70.75157	0.6
70.75491	0.4
71.01360	0.4
71.05022	4.9
72.30628	0.3
72.99281	0.4
75.37990	0.3
78.95928	0.5
84.02166	1.0
85.06597	1.8
107.01351	0.4
119.05026	22.6
120.05350	0.9
121.02989	0.6
123.00860	0.4
123.04517	1.0
125.73711	0.5
139.11307	0.5
143.51619	0.3
149.99577	3.6
151.00340	0.6
159.55559	0.3
162.47600	0.3
165.01926	3.3
167.14395	3.8
181.15967	3.2
183.03017	2.5
185.06038	0.4
195.13841	0.3
209.19061	0.7
221.19109	1.7
239.20137	4.3
240.23224	0.6
241.13443	1.1
242.11954	0.3
242.21289	0.5
248.28571	0.3
270.05261	2.5
285.04099	2.0
285.07681	5.7
285.20703	100.0
286.07816	0.4
286.20999	6.9
286.23883	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	285.2436
Annotation	17-hydroxyheptadecanoic acid
Peak:m/z	Relative Intensity
59.01381	100.0
60.01703	0.7
60.99317	0.5
76.10244	0.5
98.19921	1.3
123.04492	1.0
145.45006	0.5
179.38637	0.5
182.29964	0.6
277.45953	0.5
285.04028	2.2
285.24353	49.0
285.26709	2.1
286.24683	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	286.2387
Annotation	Prosopinine
Peak:m/z	Relative Intensity
57.03442	0.5
59.01394	0.5
61.98819	0.5
70.02612	1.4
70.03007	1.2
71.05007	0.5
71.44832	0.4
72.04565	0.5
74.06106	1.7
83.05003	0.6
88.23911	0.3
92.28257	0.4
105.99426	0.5
110.32928	0.4
118.05075	1.1
119.05000	1.1
120.05329	0.9
162.06854	5.1
176.08412	2.1
190.10075	0.5
191.10759	3.4
199.07692	0.4
217.12251	0.9
222.19357	0.5
229.12355	2.0
240.20584	0.5
240.23299	2.8
242.21324	2.3
244.14647	0.4
268.22791	0.7
286.21014	18.3
286.23846	100.0
287.16644	3.0
287.21329	1.0
287.24194	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	286.9868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46531	0.4
52.44465	0.4
55.21738	0.5
57.03439	0.8
59.01389	2.1
67.48034	0.4
69.03436	0.8
69.61417	1.0
69.61838	1.6
71.01385	1.0
71.04992	0.5
73.02966	0.5
73.34252	0.3
74.25401	0.4
79.95733	1.0
80.96507	3.4
81.38727	0.4
83.05019	3.3
85.02949	4.8
87.04491	0.5
88.24775	0.4
96.61783	0.4
96.96028	0.7
99.04491	0.7
108.02178	1.0
111.04532	0.5
120.02171	0.9
123.00850	1.0
123.04491	0.5
125.09759	0.5
127.03954	0.5
130.08719	0.4
136.01639	1.2
141.09232	0.6
155.03485	0.6
155.10802	0.5
164.01135	2.0
192.00639	87.8
193.00969	3.6
207.02980	100.0
207.13919	1.0
208.03346	4.4
286.98666	10.6
287.05878	1.5
287.14957	7.0
287.98953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1342
Annotation	Tensyuic acid E
Peak:m/z	Relative Intensity
57.03458	8.2
57.06873	1.2
59.01379	100.0
60.36683	1.2
67.88298	1.5
68.10819	1.1
69.03456	9.0
71.01375	2.5
71.05022	5.9
71.52267	1.8
73.02944	4.8
79.95748	1.5
81.03462	1.5
83.05026	6.2
85.02951	3.1
85.06618	1.8
87.00872	5.3
87.04511	6.8
93.03452	2.5
93.07113	1.9
95.05036	4.3
96.95999	3.8
97.06586	2.8
98.95604	2.4
99.04510	2.5
101.06085	2.0
102.98660	1.5
104.98156	1.7
104.98905	1.2
107.08688	4.1
107.50085	1.3
108.05845	1.2
109.06611	5.1
111.04510	1.9
111.08163	6.6
112.43925	1.1
123.04531	4.9
125.06090	1.5
129.05566	7.8
135.08151	1.8
139.11287	5.0
145.10252	1.6
153.05484	1.8
155.07121	13.9
156.07489	1.3
161.13382	6.6
163.11301	13.3
179.10811	3.4
181.12387	2.1
183.10213	2.0
188.04932	1.6
189.09253	1.8
197.11815	2.9
205.12296	8.5
207.10248	18.1
208.10619	2.1
211.13400	2.0
223.13379	34.5
224.13620	2.5
225.11331	6.3
241.14407	15.9
243.12256	1.7
249.11346	2.1
267.12326	14.0
284.99152	1.9
285.04276	3.8
285.13446	90.9
285.16876	6.5
285.26978	1.6
286.13712	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	285.0803
Annotation	Ethofumesate
Peak:m/z	Relative Intensity
51.62836	0.3
55.15345	0.3
59.01390	0.5
69.33305	2.4
69.33710	0.8
79.95734	21.1
80.96531	1.8
86.30707	0.3
89.51498	0.3
96.96010	4.9
97.37791	0.3
98.19936	0.6
132.05811	24.5
133.06140	1.2
161.09698	3.3
164.04788	13.6
165.05087	0.6
181.12325	0.8
187.11278	100.0
188.11607	6.1
199.13493	0.6
203.10767	0.5
205.12328	40.1
206.12750	2.0
241.05400	4.1
285.08008	79.5
286.08380	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	285.098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	23.3
59.01381	24.0
69.03458	7.2
70.66618	5.9
71.01400	11.4
72.99310	7.5
73.02947	48.4
75.45995	5.5
79.95721	6.7
80.96530	6.7
83.01395	6.1
83.05021	10.3
84.55285	5.4
84.87518	5.2
85.02961	12.8
87.04495	5.9
90.46717	5.5
93.03504	6.1
95.04993	11.4
96.96026	8.0
97.06582	11.5
100.17181	6.6
108.04573	53.6
109.02961	5.4
109.04885	45.7
109.06606	12.3
111.08149	21.1
121.06654	6.0
123.04527	21.6
123.08195	31.4
126.80270	6.2
135.08197	9.8
139.07755	6.5
142.02776	6.3
143.11971	5.8
149.02292	5.5
149.09602	7.8
152.03532	95.5
153.03885	100.0
153.09235	15.6
159.52391	6.3
161.09714	13.9
170.02545	6.6
241.10760	85.2
255.16016	14.0
284.26767	12.5
285.04150	30.3
285.07825	5.6
285.13397	32.0
285.16348	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	285.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22120	1.1
57.03440	2.0
58.00588	3.0
59.01379	100.0
69.03440	2.0
70.89753	3.1
71.01379	36.5
72.99297	3.4
73.02941	2.6
80.96529	6.1
83.01402	1.1
83.05009	1.8
85.02946	10.9
87.00884	3.5
87.04495	1.3
89.02442	56.1
91.60854	1.2
95.01385	2.2
97.06574	1.5
101.02450	16.9
101.06060	1.6
109.06575	2.5
109.14102	1.1
112.46803	1.2
113.02437	15.1
119.03490	19.3
120.99694	1.4
121.02887	1.6
122.03742	1.9
123.04523	3.2
125.02451	1.8
127.07593	3.2
131.03484	2.6
135.08081	1.1
143.03508	2.5
149.04520	2.0
155.01698	1.2
161.04536	2.3
179.05608	11.7
179.10661	1.3
224.01114	1.3
225.16100	7.3
241.14430	1.5
284.26743	2.1
285.04242	3.5
285.09726	3.5
285.13348	13.4
285.16373	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	8.2
57.06873	1.2
59.01379	100.0
60.36683	1.2
67.88298	1.5
68.10819	1.1
69.03456	9.0
71.01375	2.5
71.05022	5.9
71.52267	1.8
73.02944	4.8
79.95748	1.5
81.03462	1.5
83.05026	6.2
85.02951	3.1
85.06618	1.8
87.00872	5.3
87.04511	6.8
93.03452	2.5
93.07113	1.9
95.05036	4.3
96.95999	3.8
97.06586	2.8
98.95604	2.4
99.04510	2.5
101.06085	2.0
102.98660	1.5
104.98156	1.7
104.98905	1.2
107.08688	4.1
107.50085	1.3
108.05845	1.2
109.06611	5.1
111.04510	1.9
111.08163	6.6
112.43925	1.1
123.04531	4.9
125.06090	1.5
129.05566	7.8
135.08151	1.8
139.11287	5.0
145.10252	1.6
153.05484	1.8
155.07121	13.9
156.07489	1.3
161.13382	6.6
163.11301	13.3
179.10811	3.4
181.12387	2.1
183.10213	2.0
188.04932	1.6
189.09253	1.8
197.11815	2.9
205.12296	8.5
207.10248	18.1
208.10619	2.1
211.13400	2.0
223.13379	34.5
224.13620	2.5
225.11331	6.3
241.14407	15.9
243.12256	1.7
249.11346	2.1
267.12326	14.0
284.99152	1.9
285.04276	3.8
285.13446	90.9
285.16876	6.5
285.26978	1.6
286.13712	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	283.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.8
59.01380	100.0
60.01702	0.8
71.52366	1.2
73.02953	2.9
90.44260	0.6
94.21924	0.7
119.01084	0.8
156.48820	0.8
189.12833	1.7
203.10703	0.8
207.13913	1.4
211.13480	1.8
251.12897	1.2
283.02472	1.1
283.15549	25.2
283.18765	1.1
283.26422	50.3
284.15784	1.2
284.26718	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	283.1703
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
57.94275	0.5
63.67047	0.4
69.92193	2.3
93.25912	0.6
95.36482	0.4
98.20580	0.7
107.05033	100.0
108.05382	2.8
108.43725	0.5
123.04543	0.6
151.41710	0.5
163.11290	98.2
164.11638	5.5
283.17047	82.2
283.19437	1.5
283.22931	2.1
283.26370	27.2
284.17386	8.6
284.26810	1.6
292.41254	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67070	0.4
54.18674	0.3
57.03463	0.6
59.01398	0.9
69.03456	1.2
71.01406	0.4
71.50772	0.4
71.51325	0.6
72.74051	0.4
72.99291	0.4
73.02946	1.7
80.05003	0.4
82.02996	0.4
83.01354	0.4
83.05023	0.5
83.27713	0.4
87.04490	0.4
94.02942	0.4
94.92557	0.3
95.05083	0.4
96.95993	0.5
107.03787	1.0
108.04559	62.7
109.01689	0.4
109.04901	1.6
109.06620	0.5
111.08117	0.6
111.49751	0.4
119.05021	0.4
122.03749	1.1
123.04089	0.7
126.05618	1.1
131.03508	0.7
131.66911	0.4
149.06137	0.5
152.03535	100.0
153.03928	3.1
161.02612	0.4
192.11038	0.5
224.32227	0.4
241.10857	1.7
251.66818	0.4
279.41089	0.4
283.26437	4.2
284.07877	3.7
284.10928	0.6
284.15881	2.7
284.26730	5.4
285.10489	0.4
285.13574	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0617
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
52.16720	0.4
55.46051	0.4
59.01366	0.7
69.03425	0.4
69.88407	2.3
71.01379	0.7
71.05020	0.4
73.02937	0.6
78.95904	1.8
79.95750	0.4
80.96520	0.6
81.03460	1.0
81.17081	0.5
86.98011	0.4
96.96017	2.5
96.96954	4.6
98.19946	0.4
99.00887	0.4
99.04517	0.5
108.02175	100.0
109.02987	13.1
110.03274	0.8
111.00900	0.5
117.03339	0.4
121.02903	0.5
123.04523	1.6
133.02934	0.8
135.00861	0.7
135.04523	0.4
151.04024	1.5
152.01152	65.1
152.91707	0.7
153.01945	30.7
154.02216	0.4
163.04030	1.4
165.01987	1.3
186.95607	0.6
235.59163	0.4
267.15988	0.8
268.44501	0.5
279.16458	0.5
284.26804	1.2
285.06168	59.4
285.16965	8.9
285.26953	1.0
286.06412	3.8
286.17407	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	0.5
69.56312	1.8
71.01389	0.7
78.95904	38.7
85.02971	0.6
93.03456	0.7
93.55487	0.3
94.00686	0.4
95.05035	0.4
96.96960	100.0
103.67346	0.4
105.03447	0.4
108.02173	40.6
109.03001	5.8
109.23866	0.4
119.04955	0.4
121.02963	0.5
123.04533	7.1
135.04535	0.4
137.02446	0.5
149.05945	0.4
151.04027	0.8
152.01149	25.0
152.91759	0.6
153.01941	11.1
163.03986	0.6
168.99130	0.8
212.93883	0.4
262.39307	0.4
265.56934	0.4
284.26761	0.8
285.06143	25.1
285.16949	4.5
285.27386	0.4
286.06580	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0768
Annotation	Kukulkanin B
Peak:m/z	Relative Intensity
60.01616	0.1
65.00323	1.6
66.01106	0.2
78.95882	0.2
91.01878	0.7
93.03452	0.5
94.00607	0.3
95.01405	0.4
106.00624	0.6
107.01369	1.0
119.05025	100.0
120.05358	3.0
121.02963	2.2
123.00880	1.1
124.01658	0.2
149.99582	16.9
151.00377	3.9
162.21954	0.1
164.01131	0.7
165.01923	15.6
166.02237	0.4
169.01408	0.7
177.01978	0.2
183.02969	8.2
196.00101	0.2
269.04410	0.1
270.05310	8.8
271.05630	0.5
285.07672	25.2
286.08017	1.9
309.54852	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1551
Annotation	Tsugicoline E
Peak:m/z	Relative Intensity
51.61746	0.5
57.03442	2.6
59.01379	3.3
69.03442	0.6
71.01383	4.0
71.05025	0.8
71.50828	0.9
73.02947	5.3
79.54214	0.5
81.03463	1.2
83.05028	1.5
83.05518	0.5
85.02947	1.4
87.00879	0.9
87.04501	1.2
89.02451	0.8
95.05019	1.2
96.96001	2.6
97.02901	1.3
97.06594	2.6
99.04530	3.0
100.00306	0.5
101.02428	0.8
107.05052	1.1
108.02165	0.7
108.04537	2.8
109.02950	0.9
109.06561	0.8
111.08174	4.0
121.02950	1.1
121.06615	0.6
121.10201	1.3
122.03737	64.4
123.00942	0.7
123.04526	1.6
123.08134	0.8
124.05280	1.7
125.06075	1.4
125.09667	1.2
127.07611	0.9
134.03700	1.0
135.04556	1.0
136.05368	1.3
147.50479	0.6
148.05295	0.8
149.06084	5.3
149.09694	0.6
150.06819	2.0
151.04024	1.5
151.07651	8.2
151.11174	0.6
152.03531	4.4
153.09167	2.8
161.09741	1.1
162.06859	0.9
163.07568	1.1
165.05493	0.6
165.09167	1.7
167.10779	1.5
169.55867	0.6
177.09261	1.0
178.09990	0.8
179.10732	3.4
191.10771	8.5
198.80757	0.6
207.10236	1.9
213.09100	1.1
214.09920	1.0
217.12337	1.7
221.15439	2.5
229.12294	2.1
235.13400	3.9
239.16447	1.5
251.12880	8.0
253.14445	1.7
265.14508	2.8
283.15491	100.0
283.26385	43.5
284.15866	8.3
284.26733	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.155
Annotation	Tsugicoline E
Peak:m/z	Relative Intensity
57.03437	0.9
59.01368	1.2
69.55369	0.8
69.55771	2.0
71.01381	4.6
71.05025	0.7
73.02942	8.4
77.40202	0.3
79.45063	0.4
83.05029	1.0
85.02955	1.2
87.04519	2.0
95.05009	0.4
95.77419	0.3
96.96031	2.3
97.02967	0.3
97.06529	0.5
98.19997	0.8
98.95605	0.8
99.04517	3.2
107.05035	0.5
108.02177	1.5
109.02934	1.0
111.00863	0.5
111.04509	0.7
120.04557	0.6
121.02950	3.1
121.06602	0.4
122.03738	100.0
123.04071	1.9
123.04588	1.2
123.08144	0.6
124.05285	1.6
125.06062	1.2
134.03726	1.5
135.04480	1.1
136.01642	0.5
136.05319	2.4
137.06087	1.5
138.03230	0.4
139.07620	0.5
141.30951	0.4
142.22095	0.4
146.54114	0.4
148.05318	1.3
149.06070	7.3
149.09756	0.4
150.06874	4.2
151.07645	17.1
152.07977	0.7
153.09201	4.2
159.04494	1.1
159.08095	0.4
161.09694	1.7
162.06827	1.6
163.07629	1.6
164.08362	0.5
165.05576	1.5
165.09198	1.4
174.06834	0.7
176.08331	0.4
177.09196	2.6
178.09964	1.5
179.10777	5.5
185.13385	0.8
189.09232	1.1
190.09998	0.6
191.10773	15.1
192.11163	0.7
193.08672	0.7
199.07553	0.7
205.05186	0.4
205.08656	0.7
207.10292	2.5
209.11728	0.5
211.11279	0.5
213.09259	0.8
214.09975	1.3
217.12343	2.1
227.10760	1.0
229.12334	3.3
233.11830	0.6
235.13380	6.3
237.11327	0.8
240.04492	0.4
247.13353	1.1
251.12895	14.1
252.13306	0.8
253.14424	2.3
265.14435	3.7
266.14972	0.4
268.13077	1.0
283.08740	1.9
283.15485	92.2
283.26324	8.4
284.15833	7.2
284.26813	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10579	1.0
52.27076	0.8
53.42746	0.8
57.03450	1.1
59.01379	100.0
70.82611	1.8
73.02950	2.2
80.02670	2.3
96.93806	0.8
121.06631	1.2
125.19519	0.9
150.31195	1.0
175.88260	0.9
189.12839	4.7
191.10751	1.8
207.13889	20.9
230.46700	1.0
251.12949	2.6
283.15540	11.6
283.26447	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	281.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65553	0.3
57.03555	0.4
59.01504	1.2
67.01997	0.3
69.03555	0.3
69.54300	2.1
71.01149	0.3
71.01472	0.5
71.73028	0.3
72.48349	0.3
73.03040	0.4
83.05132	0.4
85.03098	1.1
87.01001	0.6
93.02960	1.1
93.03608	7.5
94.03926	0.4
96.96111	0.6
101.06184	0.5
105.03620	0.3
109.03071	0.8
109.70799	0.3
111.04625	0.4
116.06032	0.3
121.06676	0.6
122.03885	2.2
123.04685	0.8
127.04196	0.3
133.02971	1.9
134.03745	3.5
135.04562	2.2
136.05457	0.3
137.02446	7.0
137.06184	0.4
138.03096	0.4
145.06694	0.3
148.05466	1.2
149.06076	28.2
150.06767	1.1
151.04126	0.4
151.07832	1.3
161.02554	0.4
161.69305	0.3
163.07637	2.8
166.20334	0.3
173.04572	1.9
174.03384	0.4
175.53625	6.1
176.04002	0.8
177.01978	0.8
177.09326	0.4
178.02815	1.1
178.10091	0.5
179.03529	0.7
183.13988	0.7
189.09293	0.5
191.05589	4.8
191.07120	0.3
207.10205	1.6
209.15514	0.6
211.13367	4.9
211.15187	0.4
212.13687	0.4
215.05708	1.0
223.09818	0.4
233.11760	0.3
237.15059	0.5
248.14023	0.5
251.12871	0.5
263.16290	0.4
264.13617	1.0
266.15213	100.0
267.15564	5.9
279.16013	0.3
281.14185	2.3
281.17535	32.3
282.14926	0.5
282.17853	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	282.0843
Annotation	Guanosine
Peak:m/z	Relative Intensity
52.82365	0.2
53.26031	0.2
58.30614	0.2
59.01380	1.6
60.01699	0.3
61.98808	0.4
66.00971	0.8
68.99580	0.7
70.78609	0.7
71.01386	0.8
75.36736	0.2
78.00980	0.2
80.02548	0.3
82.04106	1.0
89.02456	0.5
90.01019	0.2
96.95988	0.2
101.00918	0.5
101.02448	0.4
101.55360	0.2
102.02791	0.3
103.10124	0.2
107.03634	4.2
108.02046	10.1
108.93768	0.5
112.98560	0.8
113.02512	0.2
117.00456	1.0
117.09468	0.2
122.03703	0.5
126.03103	4.2
130.08759	0.6
133.01561	30.3
134.01926	0.5
141.00473	0.5
144.99898	0.3
150.04211	100.0
151.02713	0.3
151.04684	1.7
164.05734	0.4
173.29967	0.2
184.00195	1.1
185.41763	0.2
197.15005	0.3
201.02530	0.9
220.71828	0.2
222.96956	0.6
241.00511	0.3
282.08432	28.0
283.01614	1.4
283.08554	1.5
283.15671	0.4
283.26453	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0645
Annotation	Diazepam
Peak:m/z	Relative Intensity
65.00334	0.4
69.44355	2.0
80.96503	0.3
136.98801	0.3
147.28772	0.3
148.05304	22.3
149.05638	1.0
180.04279	19.0
181.04674	1.3
188.08376	0.5
203.10770	100.0
204.11081	6.2
283.06448	21.2
283.26416	0.3
284.03259	1.7
284.06741	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	283.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49601	1.2
69.03455	1.5
69.49636	5.2
69.50057	3.5
71.01409	1.3
84.49904	1.1
88.22089	1.1
93.03444	5.7
98.20669	2.6
101.67417	1.4
105.03427	1.7
112.62238	1.5
149.02844	1.2
151.04001	100.0
152.04376	3.6
269.99222	1.2
283.11032	1.4
283.15552	3.8
283.26440	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	283.0861
Annotation	Psilocybin
Peak:m/z	Relative Intensity
52.81592	0.5
55.50086	0.5
57.03445	1.4
59.01377	3.0
69.03474	0.6
71.01385	1.6
71.51615	1.2
73.02938	5.2
79.95747	2.4
80.96503	0.7
83.05014	2.1
85.02928	1.0
87.04523	1.6
89.02438	1.2
96.96011	77.6
98.95601	1.1
99.04512	1.4
107.05029	18.9
108.05374	0.7
109.06522	0.5
111.08163	0.7
113.09726	3.8
122.03745	3.2
123.08252	0.5
125.09713	0.7
127.11357	0.8
136.05336	0.6
138.03250	0.6
143.10754	3.6
151.04005	42.1
152.04364	1.8
155.10817	0.6
157.12300	2.0
185.11786	3.5
191.14510	0.8
203.12874	44.5
204.13255	2.8
235.13312	0.7
239.16380	0.6
283.08557	100.0
283.15305	13.6
283.26382	13.1
284.08920	4.9
284.15903	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1394
Annotation	Pseudomajucin
Peak:m/z	Relative Intensity
55.01864	2.2
57.03453	13.3
59.01383	9.5
63.02407	1.1
63.26496	1.1
65.03953	4.0
69.03449	3.7
70.85500	1.9
71.01376	2.7
71.05022	1.5
73.02946	3.6
78.19481	1.2
79.95727	16.9
80.96549	2.7
81.03470	2.0
81.39854	1.0
83.01395	1.6
83.05029	17.0
85.02933	3.0
87.00865	15.6
93.03446	2.0
95.01387	1.4
95.05025	5.1
96.96011	73.5
97.02948	2.1
97.06590	1.8
97.53294	1.0
98.03736	2.3
98.95657	0.9
99.04504	3.3
107.05038	1.5
109.02964	2.9
109.06599	2.5
111.04488	6.2
111.08129	4.5
113.06120	1.8
114.75333	1.1
119.08645	1.7
121.06599	10.4
122.03735	3.1
123.08172	30.9
124.05331	1.9
129.07106	2.5
133.06554	1.5
135.04485	1.2
135.08208	2.4
137.02419	1.7
137.06078	3.9
137.09734	5.6
138.03206	3.9
138.06888	1.3
139.07707	5.1
145.06656	1.1
145.10202	3.7
149.06049	4.2
149.09729	1.6
150.06870	1.0
151.03938	1.1
151.07599	4.3
153.09196	4.7
162.06827	1.5
163.07642	1.4
165.09193	2.3
167.10750	2.4
169.08778	1.4
169.10211	3.1
171.10301	2.1
171.11787	34.3
172.12105	2.6
175.11182	2.2
176.08485	1.4
177.09181	5.2
185.09697	1.3
185.39612	1.2
189.09189	1.4
189.12830	9.3
193.08676	2.4
201.11243	8.8
201.12846	11.4
207.10103	1.6
207.14006	7.1
215.10860	1.3
219.13887	6.9
237.08118	1.8
237.14955	43.8
238.15302	3.4
241.72935	1.1
246.89969	1.1
251.12805	2.1
263.05557	1.3
263.12689	2.4
274.12363	1.1
281.06970	26.9
281.10587	21.3
281.13892	100.0
282.07217	2.3
282.10342	1.6
282.14203	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1395
Annotation	Merrillianone
Peak:m/z	Relative Intensity
50.06762	0.3
58.06176	0.3
59.01376	1.4
60.71811	0.3
69.51955	2.3
71.01376	0.6
85.02959	0.5
98.20621	0.7
101.06081	100.0
102.06380	2.1
108.02174	0.5
109.03001	0.7
136.01564	0.4
137.02444	5.7
138.03113	0.3
161.04546	0.4
163.04039	1.3
164.04794	24.7
165.05173	0.7
175.69659	0.3
179.07132	7.4
180.07457	0.4
266.08664	0.7
266.11584	35.7
267.11871	2.1
281.13959	38.0
281.24741	0.6
282.14285	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	281.1395
Annotation	Carolenalol
Peak:m/z	Relative Intensity
55.01856	1.8
57.03203	1.0
57.03452	14.5
57.62225	1.0
59.01379	9.6
65.03958	2.9
67.27872	0.9
67.29335	1.0
69.03442	4.3
71.01375	2.3
71.05011	2.7
71.51958	1.5
72.99314	1.4
73.02944	4.1
79.95734	16.9
80.96514	2.8
81.03451	1.8
83.01393	1.3
83.05026	16.7
85.02957	2.9
87.00881	16.0
93.03439	2.1
95.05013	4.8
96.96009	64.0
97.02953	1.5
97.06611	1.5
98.03728	1.8
99.04520	2.1
99.51530	1.1
101.02423	1.5
101.06125	1.1
106.04248	1.0
107.05046	1.4
107.08693	1.4
107.53514	0.9
107.80156	1.0
109.02944	2.3
109.06582	2.4
111.04509	5.3
111.08168	3.7
113.06059	0.9
119.08698	2.0
121.06569	7.3
122.03714	4.0
123.08165	27.8
124.05312	2.1
124.08457	1.3
127.07639	1.2
129.07082	1.5
133.06537	1.3
135.04504	1.6
135.08139	2.6
136.05283	1.2
137.06053	1.4
137.09726	4.9
138.03185	4.4
138.06870	1.2
139.07651	5.8
139.11275	0.9
145.10222	4.5
147.08192	1.4
149.06071	3.9
149.09715	1.4
151.07657	5.2
153.09245	4.6
163.07635	2.6
165.05475	1.3
165.09155	1.4
167.10777	2.3
169.08731	1.9
169.10172	3.6
171.10294	2.2
171.11789	34.4
172.12090	2.2
175.07549	1.9
175.11241	2.9
177.09183	3.7
178.06296	1.1
189.09184	1.1
189.12854	10.3
189.82089	0.9
191.10672	1.6
193.08632	1.5
201.11258	8.4
201.12846	11.5
207.13879	9.5
217.12202	1.5
219.13968	6.4
233.11731	1.1
237.07980	3.4
237.14948	47.0
238.15288	2.7
263.12848	2.4
281.06976	28.5
281.10568	21.0
281.13882	100.0
281.24570	1.6
282.10312	1.3
282.14258	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	281.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79011	0.2
59.01368	0.4
62.89624	0.2
70.24335	0.4
70.24725	0.3
75.87524	0.2
93.03413	0.2
93.14044	0.2
100.05318	0.2
109.02974	0.3
111.00890	0.2
121.02959	0.3
121.06620	0.5
122.03744	0.9
134.03703	0.2
135.04497	0.2
136.05244	0.3
137.02437	0.4
148.05284	0.4
149.06081	1.8
151.07663	0.4
153.00180	1.4
154.00943	8.0
155.01572	0.3
162.06865	0.7
163.07626	0.4
165.03809	0.2
165.05637	0.2
167.01723	1.8
168.02484	0.8
168.99661	0.4
173.04375	0.2
175.53680	0.3
177.09135	0.2
181.03282	8.6
182.04048	4.2
183.04633	0.3
195.04837	1.1
196.05618	0.7
197.02774	0.3
199.00705	0.4
207.04851	0.4
214.03014	1.2
221.06380	0.3
222.07166	0.7
235.13499	0.2
263.11014	0.5
266.09702	0.9
281.12152	100.0
282.12509	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	281.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.4
59.01379	7.3
63.48747	1.3
64.55551	1.1
69.03432	4.6
71.01366	4.6
71.05013	2.2
71.52433	1.7
73.02946	9.4
74.59064	1.0
78.67784	1.3
79.95726	9.5
80.96521	2.8
81.03435	5.4
81.95300	4.3
83.01370	1.8
83.05025	15.1
85.02927	6.0
87.04520	2.0
88.05629	1.3
93.03414	2.6
95.01395	1.1
95.05050	1.7
95.95224	4.0
96.96006	100.0
97.02929	3.2
97.06575	1.5
97.94781	5.4
98.95576	12.5
98.96439	1.8
99.04512	11.9
101.02427	1.4
107.05011	3.9
108.02184	2.2
109.02931	5.0
109.06614	1.5
111.00845	1.3
113.02454	1.4
113.06066	1.8
119.05003	2.4
121.02932	2.0
121.06563	5.2
122.03744	47.1
123.04559	7.4
123.08096	1.3
125.02418	1.2
125.06056	2.5
127.07594	2.5
134.03741	12.3
135.04530	19.0
136.01677	1.8
136.05304	15.0
137.02440	1.5
137.06076	16.7
137.09636	1.1
137.97003	1.1
139.04001	1.4
139.07631	1.3
145.02872	1.6
147.04485	1.9
147.08098	1.2
148.05305	7.5
149.06084	35.7
150.06873	35.9
151.07642	94.7
152.07967	3.3
155.07130	2.8
159.04515	6.0
159.10219	6.5
161.02417	1.2
161.06100	2.0
162.06898	7.7
163.03970	3.9
163.07628	17.5
165.05562	14.5
165.09204	2.2
171.08127	2.8
173.06078	3.4
174.06865	31.7
175.07562	4.5
176.08424	7.1
177.05556	3.5
177.09212	30.3
178.09540	1.5
179.07130	2.3
183.10251	1.9
187.07449	1.6
188.08316	2.0
189.09210	46.3
190.09467	2.9
191.07109	2.3
192.07924	21.6
193.08333	2.1
201.11279	10.5
201.12868	1.8
207.02924	2.5
207.10231	21.5
208.10590	1.7
215.10663	1.8
218.09578	1.2
219.06897	2.3
233.11809	9.5
237.07954	4.6
237.11244	1.6
245.11803	5.2
245.60484	1.3
251.12787	4.5
263.05960	1.4
263.12857	5.1
281.07211	55.1
281.10541	5.0
281.13882	72.1
281.24890	1.9
282.14450	11.0
291.39114	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14608	0.3
57.03447	0.3
59.01385	2.4
62.01171	0.3
65.03954	0.6
67.92840	0.3
69.03432	0.3
71.01377	1.8
71.52713	0.4
73.02944	0.6
76.91214	0.3
83.01383	1.5
85.02938	1.0
87.00897	0.9
93.03459	87.1
94.03796	1.6
96.96011	0.9
101.02445	1.0
101.06081	1.0
107.05106	0.5
109.02943	0.6
111.04503	0.5
113.02475	1.1
121.02952	1.8
133.02975	1.9
134.03731	1.0
135.04546	2.2
137.02444	100.0
138.02733	2.3
149.02495	0.8
149.06082	4.0
151.03981	2.7
151.05807	0.7
154.00931	0.4
156.00636	0.4
161.02446	1.3
161.06161	0.5
163.04024	0.6
163.07698	0.5
173.04553	1.5
175.53618	3.3
176.03818	0.4
177.01932	0.6
177.05634	0.3
178.02675	0.9
179.03484	2.6
181.01257	0.5
183.02802	0.7
183.13899	0.5
184.03635	0.3
191.03844	0.6
191.05608	2.3
196.03647	0.5
211.13368	3.5
212.13686	0.4
223.05960	0.8
266.12259	0.7
266.15219	14.4
267.15591	0.4
281.06662	1.0
281.10419	6.5
281.17322	4.4
281.24506	0.4
282.10577	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70303	0.3
57.03443	1.6
59.01367	0.3
60.25777	0.2
67.01876	0.5
69.42026	1.3
69.42432	0.6
83.05027	0.5
88.96892	0.2
90.92738	0.3
92.34837	0.2
93.03420	0.6
109.02943	0.7
111.00878	5.9
111.04541	0.4
122.03799	0.3
125.09716	0.5
133.02892	0.3
134.03775	0.3
134.67682	0.2
135.04527	0.5
137.02460	1.5
137.06082	0.4
137.86732	0.3
145.10159	0.3
148.05284	1.7
149.06088	2.2
151.07639	0.7
153.00186	2.1
154.00941	5.1
161.09637	0.7
165.03758	0.2
167.01703	4.8
168.99678	1.8
170.00310	0.4
171.08186	0.7
173.04494	0.4
174.06816	0.6
175.53587	0.9
180.02455	0.5
181.03288	10.4
181.04913	0.5
182.04054	18.9
183.04401	0.7
185.02791	0.5
188.08467	0.4
189.09227	2.2
191.05605	0.8
195.04834	0.7
196.01823	0.5
197.02721	1.0
199.00690	1.1
205.06969	1.4
207.04887	1.1
208.05551	0.7
211.13414	0.8
214.03046	6.0
221.06459	0.4
222.07243	2.2
223.08018	2.7
235.13525	0.2
249.15057	0.3
253.14389	0.3
263.10971	0.5
266.09744	0.9
281.12149	100.0
282.12500	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	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
55.93780	0.4
56.20217	0.4
56.33873	0.4
59.01380	0.5
69.97218	2.0
145.48224	0.4
170.81789	0.5
231.87445	0.4
279.23282	100.0
280.23669	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	279.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.0
57.03448	59.0
57.21788	1.8
57.24677	2.1
59.01390	10.8
65.03941	2.7
69.03447	9.5
70.22048	8.4
70.43543	2.1
71.01380	3.0
71.05013	3.7
73.02935	2.2
74.92933	2.0
77.85571	2.0
78.07766	2.6
79.05524	7.2
81.03445	2.6
83.05037	4.9
91.05549	3.2
91.46023	1.9
93.07099	3.4
95.05025	8.1
96.96000	7.1
97.02951	52.2
97.06594	4.6
105.07096	5.8
106.04221	2.4
107.05034	8.3
107.08654	7.3
108.02168	4.0
109.06586	19.8
111.04521	3.6
113.06079	4.4
116.12545	2.0
119.05065	3.1
119.08663	4.6
121.06598	18.3
121.10204	4.5
122.03738	18.4
123.04519	18.0
123.08114	2.6
125.06107	3.2
131.08676	4.3
133.06573	6.3
133.10239	13.1
135.04523	4.7
135.08144	19.0
136.05258	4.8
137.06039	4.9
145.06581	2.7
145.10223	8.4
147.04553	4.4
147.08160	26.8
149.06068	11.9
149.09630	3.6
151.07631	4.6
159.08148	14.5
161.09734	3.8
161.13423	3.1
163.07600	4.0
163.11288	27.3
169.10194	7.8
171.08124	12.3
172.08995	2.3
173.06091	5.6
173.09668	3.3
175.11305	19.1
177.09242	10.3
180.02499	8.4
181.03244	2.5
181.10208	3.8
184.08926	4.5
185.09694	3.1
187.07695	3.6
187.11278	79.3
188.11572	3.9
189.09238	13.8
199.11276	66.2
200.11626	5.0
201.09204	6.5
203.10736	3.2
205.08682	5.9
205.12340	100.0
206.12645	5.8
217.12340	67.8
217.14450	3.3
218.12634	3.5
231.10237	49.4
232.10542	2.8
233.11731	4.6
235.13367	6.8
243.10245	48.3
244.10550	5.4
249.11319	77.3
250.11749	4.9
261.11301	86.0
262.11679	4.6
279.10345	31.4
279.12476	37.3
280.12967	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	279.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	9.2
57.03446	6.8
58.00596	4.0
59.01379	75.4
68.99817	1.5
69.03465	1.6
69.64165	5.5
71.01382	100.0
72.99303	6.1
73.02945	28.7
75.00874	2.9
79.46368	1.1
79.95738	37.4
80.96503	7.8
81.03458	1.3
81.48007	1.0
81.95341	2.3
83.01389	16.9
83.05034	2.0
85.02948	44.1
85.06588	2.2
86.00134	1.1
87.00878	10.1
87.11281	1.2
89.02447	33.5
95.01367	6.3
95.95237	31.4
95.95808	1.9
96.96012	66.9
96.99316	1.7
97.02988	2.1
99.00888	12.5
99.04556	1.0
101.02445	82.9
101.04297	34.0
101.06099	1.8
102.04691	1.4
102.98618	1.4
111.00926	3.1
113.02449	35.4
114.02828	1.0
115.48585	0.9
117.09219	2.1
117.57827	1.0
119.03499	12.7
119.08707	1.3
120.99651	1.5
121.03008	1.4
125.02518	1.6
125.09742	1.9
129.01970	2.1
131.03589	1.6
131.05382	7.3
137.02431	2.4
137.09752	1.4
143.03552	3.7
145.05144	1.6
147.05568	1.9
149.04631	1.7
149.06418	43.4
150.06834	1.9
157.08672	5.1
159.03011	8.0
161.04550	32.0
163.00752	1.1
164.01498	2.0
175.05957	2.6
182.05830	8.5
184.06374	1.6
191.00266	1.1
191.05568	2.0
191.07487	4.1
197.08191	8.1
199.09775	4.5
205.03537	1.2
235.06490	1.8
237.08133	4.0
249.04295	8.2
265.24231	1.2
279.05551	67.4
279.09183	8.9
279.12241	2.5
279.14746	14.4
279.23285	6.2
280.05856	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1236
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
50.08802	1.2
57.03448	14.4
59.01380	2.0
69.03475	1.8
69.31992	9.6
71.01379	2.2
71.05037	1.7
73.74842	1.1
81.03452	1.8
83.05032	4.4
85.02966	1.5
87.00867	2.6
90.98590	5.2
95.05028	3.8
96.96025	4.0
97.02934	9.0
97.06591	1.9
98.19841	2.4
107.05021	2.4
109.02943	5.8
109.06581	8.6
111.04536	5.6
119.05054	1.3
119.08669	4.2
121.06600	7.1
121.81813	1.3
122.03735	16.7
123.04544	5.6
123.08203	1.5
124.05314	19.2
125.02399	1.4
125.06133	5.4
126.09045	1.2
129.07445	4.8
133.06569	1.2
135.04533	4.2
135.08183	2.2
136.05275	2.8
137.06084	14.2
137.09711	1.7
139.07652	100.0
140.07994	4.7
145.10309	1.9
147.08328	6.3
148.05293	1.2
149.06061	2.9
149.09779	1.2
151.07632	1.5
159.08112	1.8
161.09706	1.4
161.13387	1.4
163.07622	2.3
163.11299	2.2
168.07912	29.6
169.08633	1.5
171.08145	4.2
175.07742	1.3
175.11227	2.5
177.09259	1.8
177.12840	2.9
179.00145	1.3
187.11278	22.6
188.11598	1.2
189.09460	1.2
189.12791	2.4
190.09987	4.4
199.11313	1.9
202.09929	1.1
205.08694	1.7
205.12328	39.0
206.12608	2.3
217.12352	6.2
235.09869	1.5
235.13382	8.0
249.11292	3.1
261.11319	9.5
279.08920	3.3
279.12338	20.8
279.15634	1.9
279.23209	3.6
280.12680	1.7
303.67291	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1233
Annotation	Linderagalactone B
Peak:m/z	Relative Intensity
51.39413	1.4
52.32193	1.2
55.01871	5.2
57.03456	1.9
67.01900	1.8
68.74424	1.4
69.03463	7.8
71.05027	3.4
73.02946	80.4
74.03247	1.6
79.95748	1.7
83.05027	10.4
84.76636	1.3
95.05026	4.0
96.96010	20.1
97.02349	1.5
97.02951	4.2
97.06556	1.7
98.20697	2.0
99.04533	1.5
99.92553	2.1
105.07095	2.2
107.04991	2.2
107.08673	2.6
117.07097	2.1
120.99660	7.1
121.06590	3.7
123.08159	4.7
133.06602	1.6
133.10184	1.5
135.08105	3.3
135.11818	3.0
137.09674	7.2
148.05272	1.4
161.09724	4.4
173.13388	13.3
175.11246	3.9
187.11301	2.5
189.12840	8.9
191.07507	1.8
191.14439	54.7
192.14726	3.4
199.13437	2.0
217.12256	5.1
235.13399	26.7
249.11287	5.0
279.09055	14.4
279.12347	100.0
279.22852	1.9
280.12668	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1235
Annotation	Hymenoflorin
Peak:m/z	Relative Intensity
50.43482	1.2
57.03448	21.1
59.01374	2.0
60.85345	1.4
65.03957	6.2
67.05284	1.5
69.03467	7.7
70.03687	4.5
71.05016	1.8
79.05532	5.7
81.03474	2.7
83.05042	2.4
85.02956	1.4
87.04552	1.2
91.05531	54.6
91.20013	1.2
93.03460	5.0
93.07092	2.9
95.01378	2.2
95.05019	4.6
96.02171	1.6
96.96003	4.9
97.02951	14.2
105.07093	26.6
106.04232	1.9
107.05019	6.6
109.02965	3.1
109.06561	1.7
111.04512	36.5
117.07104	3.2
119.05042	3.3
121.06585	4.9
122.06874	1.3
123.04516	5.4
123.07218	1.4
125.06112	1.4
129.07033	1.9
131.05038	2.6
131.08653	2.6
133.06596	9.3
135.04529	1.5
136.05263	3.3
137.06107	2.6
139.34439	1.3
143.08661	6.3
145.06580	13.5
146.07195	1.5
146.75140	1.5
147.04507	4.4
147.08189	2.4
149.06056	5.0
151.02187	1.5
152.03020	2.5
154.00896	1.9
157.06599	4.6
157.10225	1.6
159.04517	3.2
159.08174	10.2
159.11798	12.8
160.08664	1.4
161.06070	4.0
161.09709	23.3
162.01436	2.2
162.10023	2.8
163.02174	2.0
165.05573	1.2
167.08641	6.3
169.06581	4.5
170.07372	16.7
170.67245	1.3
171.07689	1.3
172.05258	2.0
173.06009	4.6
173.09715	2.3
174.06844	3.9
175.07584	4.0
175.11247	2.2
177.09224	1.6
179.01762	2.4
180.02493	19.4
181.03259	4.8
183.08115	7.2
184.05161	1.9
185.09717	100.0
186.06844	5.6
186.10011	5.2
187.07623	10.5
188.08424	8.2
189.08252	1.6
192.02490	2.1
193.03209	2.8
194.03993	2.2
199.07715	1.6
201.09180	2.7
203.10783	63.0
204.11078	4.6
205.11331	5.5
206.04076	2.6
207.04878	2.0
217.12219	1.5
221.06387	6.7
229.08675	10.7
235.13464	6.9
247.09743	65.3
248.10031	5.1
249.10178	6.9
261.11411	2.6
279.10385	73.3
279.12491	77.5
280.10797	7.0
280.13055	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14080	1.1
55.01878	2.0
57.03442	3.2
58.00594	4.9
59.01379	100.0
61.98834	4.0
70.91100	2.7
71.01382	58.9
71.05025	4.8
72.99306	6.0
73.02940	10.9
79.95742	14.7
80.96530	10.0
81.03425	1.6
81.95338	1.4
83.01403	3.0
83.05042	3.3
85.02966	12.3
87.00877	5.3
89.02443	67.1
93.03468	1.8
95.01397	3.8
95.95232	13.6
96.96012	61.7
99.04530	14.3
101.02441	41.2
101.04295	2.0
101.06099	1.5
113.02467	22.2
115.04019	1.9
117.05582	25.8
119.03500	28.2
120.53713	1.2
122.89423	2.8
125.06090	2.5
126.19118	1.1
128.31180	1.1
131.03513	2.9
137.02455	1.3
137.51904	1.3
143.03497	2.8
145.05077	2.4
145.08656	1.3
147.05574	1.7
147.06606	2.1
149.04552	2.6
149.06384	3.4
152.98701	1.2
157.08737	4.3
161.04553	2.3
165.05554	1.3
168.11494	1.6
179.05533	2.4
181.01761	3.9
181.12357	1.2
182.05838	6.4
191.05650	3.9
191.07440	3.0
197.08197	3.1
198.26424	1.2
199.09769	3.3
235.06444	9.1
261.04462	2.4
279.05511	89.8
279.10843	62.0
279.23181	11.4
280.05823	5.5
280.11084	1.9
298.19431	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1085
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
55.01886	1.9
57.03451	7.5
58.00592	3.8
59.01379	100.0
59.53775	1.0
60.01709	1.3
61.98838	1.2
65.99623	1.0
71.01382	54.6
71.04552	2.6
71.05011	2.1
72.99308	4.0
73.02952	4.7
74.55569	1.1
79.95734	5.8
80.96536	3.3
83.01388	2.7
83.05029	2.4
85.02950	10.1
87.00871	3.2
89.02443	57.4
90.02745	1.2
92.66279	1.1
95.01402	3.7
95.95238	7.2
96.96012	29.2
98.95610	2.2
99.04523	10.8
101.02441	35.6
101.04274	1.5
101.06082	1.3
113.02452	20.2
115.08777	3.5
117.05603	5.3
119.03499	24.7
119.04958	1.5
122.89469	1.6
123.03172	1.0
131.03499	2.1
135.06613	1.3
139.07545	1.0
143.03506	2.0
145.05086	1.2
147.06628	2.2
149.04573	1.2
149.06364	1.4
157.08612	1.8
161.04523	2.0
163.08759	1.4
179.05589	1.7
181.01733	2.0
182.05890	1.9
191.05635	3.0
191.07372	1.2
197.08322	1.2
199.09894	1.4
223.95245	1.1
235.06483	2.9
235.14592	0.9
279.05573	40.9
279.10849	53.4
279.13550	4.2
279.23334	5.5
280.05807	3.0
280.11142	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	279.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13141	0.3
71.29069	0.6
73.02950	0.3
79.95734	2.8
80.76014	0.3
95.95236	3.7
96.96011	100.0
114.95343	0.3
118.92661	0.3
122.63036	0.3
123.65157	0.2
135.04535	0.3
137.06024	0.4
139.11331	0.3
149.06113	0.4
155.10759	0.4
162.06833	0.3
188.44220	0.3
199.13412	13.2
200.13751	0.8
206.75031	0.3
279.09073	66.5
280.09393	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	279.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52449	0.3
54.89064	0.2
57.03433	1.2
59.01355	0.3
69.03426	0.3
70.99594	0.5
71.52682	0.4
80.96483	0.5
83.04984	0.7
84.63473	0.2
85.79028	0.2
91.05529	1.0
93.03435	0.3
95.05003	0.4
97.02927	0.6
105.07092	0.7
107.38025	0.3
109.02951	0.5
111.04482	1.0
119.05029	0.5
121.06570	0.7
122.03702	0.6
123.00945	0.3
123.99866	1.2
125.00766	0.3
133.06569	1.0
135.04552	0.6
136.05304	1.5
137.02415	0.6
137.04315	0.6
137.06056	2.0
138.01462	0.4
138.98589	0.4
141.69003	0.2
145.06612	0.3
147.04529	1.6
148.05261	0.7
149.06088	2.2
150.06804	0.4
151.02251	1.8
151.99323	0.8
152.03036	3.3
153.00177	1.3
153.03815	1.6
154.00946	4.7
155.01735	0.5
159.04543	0.3
160.05251	1.0
161.06084	5.6
161.09674	0.6
162.01404	1.4
162.06509	0.3
163.02193	1.5
165.00117	0.7
165.03770	0.7
165.09261	0.3
166.00882	0.5
166.04539	0.4
167.01683	1.0
168.99713	0.6
172.05249	0.4
173.09708	0.3
175.07576	0.4
176.02934	0.8
177.03761	1.1
177.09239	0.4
179.01711	7.7
180.02498	7.3
180.99675	0.3
181.03296	9.8
182.04085	4.8
183.04793	1.9
185.09702	1.9
187.07631	0.8
187.11269	0.3
189.09090	0.3
193.03242	2.7
193.10536	0.4
194.04060	9.4
195.04677	0.9
196.01970	0.5
197.02614	0.2
203.10744	1.1
205.12299	0.8
206.04033	0.6
207.04834	1.8
208.05376	0.3
214.03067	1.2
217.12297	0.7
221.06398	9.1
222.06819	0.3
227.10672	0.3
231.08452	0.8
234.07161	0.4
235.13361	3.1
245.11781	0.4
247.07518	0.5
247.09747	0.9
249.09380	0.4
251.11122	1.6
261.09314	0.6
264.08206	0.6
264.13586	0.3
279.10547	100.0
280.10876	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	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66407	0.5
57.03431	0.8
57.23743	0.5
59.01377	6.5
71.01389	1.1
71.50638	0.6
80.46911	0.5
89.00332	0.9
106.62499	0.4
113.52496	0.5
121.02982	0.7
135.24310	0.5
160.98843	1.0
163.69420	0.5
203.10709	0.8
204.97655	0.5
205.01350	0.5
205.15929	1.2
233.19176	1.0
233.22404	0.6
247.09689	0.9
259.09723	1.7
275.20230	0.6
276.96472	0.6
277.00052	0.6
277.03424	1.1
277.18246	8.4
277.21698	100.0
278.18759	0.9
278.22079	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	279.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30228	2.8
54.95890	3.3
55.49733	3.0
57.03444	3.5
57.87942	2.8
59.01378	50.6
64.20246	3.3
65.08900	2.8
69.43471	19.6
71.01380	24.2
80.96516	3.5
81.03524	3.4
82.02998	8.8
85.02950	6.7
87.00853	7.0
89.02448	27.8
96.96017	8.6
99.04536	10.3
101.02428	15.2
101.04313	7.1
105.63374	3.0
110.02473	40.0
111.02012	51.3
113.02430	9.5
117.05588	12.6
119.03501	11.5
122.02541	3.2
135.03012	6.9
140.03595	3.3
149.06406	5.6
152.03505	6.9
152.95976	5.5
153.03029	4.4
166.73100	2.9
191.05582	5.1
200.05687	20.0
243.06197	100.0
244.06363	3.6
248.03214	3.9
279.05258	10.4
279.10794	37.0
279.23187	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	279.0543
Annotation	SULFAMETHOXYPYRIDAZINE
Peak:m/z	Relative Intensity
52.46289	0.3
54.81534	0.3
59.01373	1.1
61.81215	0.3
69.57418	2.0
71.01382	1.6
73.02943	7.0
78.75095	0.3
79.95727	5.0
80.96514	1.2
83.05019	0.5
83.22378	0.3
85.02941	0.8
88.72852	0.3
95.95248	1.3
96.96009	52.1
97.95951	0.4
101.02431	1.1
101.04282	0.5
104.34029	0.3
110.93937	0.3
113.02473	0.6
125.06065	3.5
134.31380	0.3
141.95818	0.3
147.06630	1.0
149.06393	0.9
152.98610	1.0
163.00761	0.4
174.05479	0.4
181.01761	5.0
182.05902	0.5
197.08214	0.4
199.09808	1.0
235.06467	10.1
236.06798	0.4
251.05923	0.5
261.04382	1.7
279.05426	100.0
279.23053	0.6
280.05765	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	279.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52509	0.5
57.03432	1.5
59.01385	3.1
71.01382	3.4
73.02943	1.3
74.02511	0.6
79.95734	97.6
80.96511	7.4
81.95306	1.8
82.96073	0.6
83.01363	0.6
85.02932	1.7
85.03423	0.7
87.00845	0.8
89.02440	0.8
90.12457	0.5
95.95235	4.1
96.96008	83.3
99.04514	4.0
101.02415	2.6
107.08665	0.6
109.52011	0.5
111.04510	1.0
113.02459	1.0
119.08672	1.7
121.06588	0.7
125.09717	3.4
135.04594	0.8
137.02454	0.9
137.09714	2.6
147.06593	0.8
148.05246	0.8
149.06084	1.4
149.99985	0.9
157.08678	5.9
161.04556	0.7
163.00700	2.5
164.07230	0.5
169.08646	1.9
175.07594	0.5
180.00998	2.0
182.05829	5.7
183.06252	0.6
184.06400	1.2
191.07448	4.6
197.08197	5.2
199.09798	7.0
211.99898	0.8
219.03410	0.7
235.06384	2.5
249.04366	19.8
250.04785	0.8
279.05484	100.0
279.08963	10.0
279.12140	2.4
279.23291	2.9
280.05814	5.7
280.08569	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0545
Annotation	Sulfamonomethoxine
Peak:m/z	Relative Intensity
57.03448	1.5
59.01382	4.8
59.67848	0.5
69.03442	1.0
70.02939	0.5
70.63895	1.0
70.64248	0.9
71.01393	2.6
72.99319	0.5
73.02923	0.7
73.19041	0.4
79.95738	86.6
80.96514	6.2
85.02949	1.9
87.00890	0.7
95.95229	3.3
96.96013	94.6
99.04520	3.0
101.02448	1.9
107.08691	1.5
107.33640	0.5
111.08144	0.5
113.02493	0.7
119.08714	0.6
120.99616	0.6
121.06609	0.7
123.04535	0.5
125.09715	3.0
126.09998	0.5
127.07692	0.6
135.04535	0.5
135.08116	0.6
136.99184	0.5
137.09712	2.2
149.06088	1.1
149.99913	1.1
153.09167	0.7
154.64621	0.4
157.08705	7.6
161.04529	1.2
163.00717	2.3
164.07256	0.7
165.02283	0.5
169.08698	1.8
173.06165	0.5
176.54195	0.6
179.03519	0.7
180.00980	1.9
191.07408	6.0
199.09755	6.8
205.05432	0.5
205.08627	0.9
211.99945	0.7
217.05432	1.4
219.03273	1.4
222.07999	0.4
235.06456	1.9
249.04364	20.5
250.04771	1.1
250.53973	0.5
279.05460	100.0
279.08966	11.2
279.12167	2.6
279.23206	1.0
280.05719	4.6
304.14105	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1661
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
59.01443	3.7
60.97565	0.5
64.88586	0.4
65.89470	0.4
71.01443	0.6
71.52119	0.5
88.60524	0.5
89.00416	0.5
100.22416	0.4
103.02276	1.1
121.03264	3.7
144.11423	0.5
146.99457	1.2
147.08466	5.2
149.00998	0.7
165.00447	12.7
166.00528	0.6
173.09702	0.6
174.26215	0.5
174.47064	0.5
189.04129	1.7
191.05643	11.2
197.09714	0.7
203.10797	0.9
205.07147	2.1
205.15938	1.0
207.05096	1.0
215.10753	0.7
217.07222	0.6
217.92731	0.5
218.12286	0.4
231.08752	1.7
233.10327	100.0
234.10445	8.6
247.09782	1.1
259.09579	2.3
259.15604	1.1
272.90585	0.5
275.19971	0.6
277.16544	83.4
277.21539	45.3
278.16702	7.6
278.21817	3.2
285.28357	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.217
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.44572	0.2
53.87046	0.2
58.14373	0.2
59.01373	2.2
67.27114	0.2
69.73454	1.0
71.01374	0.4
72.71210	0.2
83.05003	0.4
84.14891	0.2
84.96721	0.2
102.15266	0.2
127.07644	0.3
184.70914	0.2
187.07301	0.2
204.39833	0.2
233.22778	0.4
247.09805	0.2
249.67632	0.2
256.18066	0.2
259.09738	0.3
259.20630	0.5
275.19952	0.4
277.21695	100.0
278.22037	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	277.217
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.68752	0.4
56.32392	0.4
59.01371	0.7
69.59641	1.6
98.20611	0.9
132.04645	0.4
217.62859	0.5
233.22905	0.6
277.21710	100.0
278.22034	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
59.01379	3.0
66.06492	0.2
69.97945	0.4
69.98337	0.6
70.60599	0.2
71.01367	0.3
72.58854	0.2
74.25335	0.2
79.95731	0.4
83.05057	0.3
91.42214	0.2
93.80375	0.3
96.96011	0.2
101.44588	0.2
127.07683	0.4
140.03101	0.3
141.55438	0.2
192.71297	0.2
203.10822	0.7
205.15947	0.5
215.10674	0.4
233.18970	0.4
233.22722	0.6
247.09676	0.4
259.09650	0.8
259.20605	0.6
275.20175	0.9
277.18469	4.6
277.21698	100.0
278.18939	0.3
278.22031	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	277.108
Annotation	8beta-Hydroxyeremophil-7(11)-ene-6alpha,15
Peak:m/z	Relative Intensity
57.03450	1.5
59.01373	1.6
67.01877	2.0
69.03457	16.7
69.61727	6.1
71.01404	1.1
73.02949	1.5
73.19255	1.0
77.26456	1.2
79.05524	1.1
81.03444	2.0
83.05023	12.5
93.03461	1.3
93.07098	2.3
95.05039	2.2
96.96024	1.7
97.02934	1.3
97.06566	1.5
99.04491	2.6
105.07066	2.7
106.04263	1.1
107.05009	4.3
107.08662	3.6
109.06606	1.8
111.04527	2.8
119.04965	1.5
119.08635	1.7
120.05791	2.2
121.06602	5.5
123.08135	3.3
125.02435	2.7
131.08589	1.3
133.06606	3.9
133.10231	5.3
135.08156	7.7
147.08170	2.2
151.06422	1.8
151.07632	28.1
155.08636	2.5
159.08148	1.7
161.09700	2.6
161.13374	1.1
169.10249	1.6
171.11780	23.1
173.09705	10.6
174.10365	3.3
178.06226	1.6
187.11311	6.9
189.12842	100.0
190.13091	5.6
205.12383	1.9
209.54947	1.0
215.10742	11.2
231.10217	1.3
233.11812	26.7
234.12175	1.6
277.10785	53.4
277.13861	1.7
277.21698	4.1
278.11099	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	277.1081
Annotation	Hieracin II
Peak:m/z	Relative Intensity
52.37585	1.3
57.03446	33.3
59.01375	4.1
61.98838	1.5
62.59522	1.4
65.03951	2.1
69.03434	3.8
69.31321	11.7
71.01376	3.0
79.05535	5.6
81.03436	1.8
82.04890	1.4
83.05024	4.6
91.05560	1.7
93.03467	3.5
95.05036	2.4
97.02927	3.7
105.07122	2.9
107.05016	4.3
109.02961	6.2
117.07088	3.0
119.05030	2.0
121.02981	4.2
121.06575	5.0
123.04530	4.2
131.08670	2.5
133.06586	8.4
135.04524	5.3
135.08180	2.1
145.06586	10.6
145.10255	2.6
147.04483	1.9
147.08173	2.6
149.06104	2.7
155.08618	1.6
157.06569	17.7
158.07353	3.8
159.04555	4.5
159.08116	2.8
160.05190	2.0
161.02487	1.7
161.06081	2.9
161.09723	9.5
163.07619	5.9
170.07326	4.3
171.08159	4.9
172.08891	4.0
173.06088	4.7
173.09679	17.8
174.06891	2.1
175.03969	2.2
175.07613	6.4
175.11221	1.7
181.06618	1.7
182.07263	1.9
185.06096	2.8
185.09703	14.5
187.07651	3.7
187.11191	2.9
189.05576	4.3
189.09227	4.9
191.11002	1.4
195.08066	2.3
197.09720	19.3
198.06833	2.1
199.07640	2.7
200.08401	3.3
201.05515	7.7
202.06258	2.3
203.07062	1.8
203.10779	37.6
204.07875	2.9
204.11107	2.1
213.09175	6.9
213.11118	1.6
215.07327	1.5
215.10745	37.6
216.11189	2.5
217.08690	3.9
219.10210	2.0
222.07048	1.3
223.07597	3.4
226.06331	4.2
227.06982	2.1
229.08751	2.5
231.10281	12.7
233.11829	13.5
241.08682	16.7
244.07390	3.9
247.09743	41.8
248.10005	2.2
259.09741	98.9
260.10010	7.9
277.10812	100.0
277.14243	6.0
277.18256	6.5
277.21689	96.1
277.24753	3.6
278.11209	6.3
278.22134	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	277.108
Annotation	8beta-Hydroxyeremophil-7(11)-ene-6alpha,15
Peak:m/z	Relative Intensity
55.01881	0.8
57.03448	1.8
65.03958	1.0
67.01896	1.8
69.03457	19.2
70.03797	0.5
71.01395	0.6
71.05042	0.6
71.53574	0.6
73.02951	1.4
79.05540	1.3
81.03468	1.6
83.05021	12.6
85.02966	1.0
91.05533	0.5
93.03477	1.0
93.07105	2.3
95.05026	6.0
96.95987	0.9
97.02958	1.2
97.06585	1.4
99.04509	4.1
105.07077	2.8
106.04271	0.6
107.05013	5.0
107.05721	0.5
107.08661	5.1
108.02184	1.1
109.06573	1.8
111.04549	2.5
112.50155	0.4
117.07127	0.8
119.05045	1.3
119.08669	2.1
120.05809	2.9
121.02956	0.7
121.06596	5.4
121.10237	0.8
122.03815	0.5
123.04539	1.4
123.08175	3.2
125.02456	3.5
126.03234	1.4
126.37791	0.4
129.07114	1.3
131.08673	1.3
133.06596	3.6
133.10254	7.7
134.07382	0.7
135.04504	0.6
135.08170	7.9
136.08481	0.6
137.06071	1.5
138.03258	0.5
139.07671	0.9
141.07065	0.6
143.08650	1.4
145.06558	0.9
145.10251	2.2
146.07381	1.1
147.08139	2.4
147.11774	1.0
148.05418	0.4
148.08917	0.8
149.06096	2.1
149.09738	1.1
151.07646	29.4
152.07993	1.3
155.08653	2.2
156.09332	0.5
159.08124	2.0
159.11789	1.1
160.08940	1.9
161.06053	0.9
161.09715	2.3
161.13371	1.5
163.07639	0.8
169.10287	2.4
171.08194	0.9
171.11800	21.0
172.08939	0.4
172.12140	1.5
173.06075	0.4
173.09711	13.4
174.10477	2.6
175.07610	0.5
177.09186	1.2
178.06378	1.1
179.07074	0.7
185.09732	0.6
187.11302	7.3
189.12851	100.0
190.13194	6.2
191.10777	0.4
192.07993	0.4
203.10809	1.3
205.12323	1.5
215.10753	10.3
216.11145	0.4
218.02095	0.6
231.10246	1.9
233.04549	0.6
233.11824	26.7
234.12152	1.6
259.09866	0.4
259.13324	1.2
277.10800	51.2
277.21643	2.3
278.11142	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10547	1.4
55.77546	1.4
57.03450	16.6
59.01369	6.2
69.03452	6.5
69.60591	10.2
79.05525	2.8
81.03455	4.9
83.01367	2.4
83.05039	2.0
85.02943	2.1
91.05534	5.9
93.03429	3.8
95.05022	3.3
97.02936	8.8
98.19953	3.5
105.07110	8.0
108.02129	1.7
111.04482	2.1
114.66778	1.7
119.05013	2.3
121.06593	19.4
123.04534	7.2
131.05046	1.8
131.15030	1.5
133.06581	15.0
135.04526	3.4
137.06064	2.6
145.06590	16.6
147.04530	1.8
147.08157	3.7
149.06076	5.6
157.06520	4.9
159.08153	6.0
161.06030	5.7
161.09711	31.8
162.06862	2.3
163.07643	14.7
167.08733	1.9
170.07343	1.7
171.08157	2.0
173.06052	3.6
173.09668	3.1
175.07674	4.4
185.09702	17.2
187.07559	7.6
188.08400	5.8
189.05553	4.3
199.07564	3.1
201.09201	3.2
203.10764	100.0
204.07861	1.9
204.11098	5.9
205.08681	8.2
215.10735	4.1
229.08742	2.9
247.09729	69.7
248.10074	4.9
259.09659	6.8
277.10812	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	277.108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	35.0
60.97473	1.2
61.25967	1.1
65.03957	2.6
69.03456	3.1
69.33670	8.0
79.05531	5.9
81.03472	1.4
91.05531	3.1
93.03473	2.2
95.05035	1.4
97.02947	3.1
105.03429	1.8
105.07102	4.6
107.05028	3.2
109.02952	6.3
117.07099	2.3
121.06558	2.8
123.04523	4.9
129.07086	1.7
130.04263	1.4
131.08598	1.4
133.06645	7.8
135.04494	4.3
144.05833	1.4
145.06584	9.3
147.08145	1.9
149.06075	2.1
155.08701	1.4
156.05830	1.4
157.06595	15.2
158.07329	5.0
159.04506	4.3
159.08144	2.7
161.06073	2.4
161.09749	8.6
163.07657	6.4
170.07381	4.1
171.08168	6.1
171.11679	2.1
172.08908	3.6
173.06090	2.7
173.09726	18.9
174.10132	1.9
175.03957	2.4
175.07632	3.8
181.06583	2.6
182.07387	5.3
185.06136	2.2
185.09712	18.1
187.07655	2.3
187.11327	1.6
188.08340	1.9
189.05620	2.0
189.09235	3.9
193.08604	2.3
195.08160	2.7
197.09714	27.7
198.09967	1.7
199.07605	3.6
200.08444	3.9
201.05594	7.5
201.09213	1.6
203.10776	46.5
204.07927	2.8
204.11046	3.2
213.09187	3.3
215.10750	40.6
216.07855	1.3
216.11224	1.6
217.08723	3.0
226.06329	2.7
229.08614	2.5
231.10226	4.9
233.11847	9.3
241.08722	10.3
244.07333	1.8
247.09735	39.0
248.10222	2.8
259.09729	100.0
260.10040	8.9
277.10797	68.5
277.13861	3.3
278.11163	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	277.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82582	0.3
64.67035	0.3
66.88767	0.4
69.03446	0.5
79.95724	3.0
80.96526	0.8
81.03455	5.0
83.05026	43.4
84.05351	0.7
98.20679	0.8
101.06082	35.0
102.06405	0.5
107.36259	0.4
127.04002	4.5
131.03471	1.0
133.82100	0.3
137.02441	1.9
145.05067	100.0
146.05432	2.0
149.04520	1.1
151.03928	0.6
182.05846	11.9
183.06049	0.5
197.08188	9.8
277.03918	8.3
277.09256	13.2
278.09726	0.8
297.12271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	18.7
57.05730	1.9
58.92258	1.7
59.01364	9.0
60.48588	1.9
62.70449	1.9
69.03431	4.1
69.49113	11.4
81.03475	2.7
83.84423	2.0
85.02934	3.1
85.87703	2.0
91.05519	5.8
93.03498	2.6
93.12319	2.0
95.05070	4.2
97.02940	7.4
105.07075	8.5
111.04521	2.9
119.05029	2.3
121.05943	1.9
121.06605	19.9
123.04512	7.6
132.05807	2.4
133.06593	12.1
137.06082	4.5
145.06593	12.1
149.06114	5.5
157.06528	4.4
159.08124	6.9
160.08472	2.1
161.06076	6.7
161.09708	32.6
163.07639	17.6
171.08107	2.6
173.06030	3.6
173.09680	3.1
175.07657	2.4
183.08102	4.5
185.09726	15.7
187.07632	8.6
188.08282	3.9
189.05556	3.8
203.10782	100.0
204.11101	4.6
205.08569	6.9
215.10718	4.2
229.08592	5.4
233.11772	3.0
247.09763	67.1
259.09714	5.5
264.29565	2.0
277.10812	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	277.1081
Annotation	Illudoic acid
Peak:m/z	Relative Intensity
52.48344	1.4
57.03449	44.3
59.01366	1.6
60.07310	1.4
65.03956	3.2
67.01888	1.9
68.02653	1.9
68.85624	1.5
69.03456	2.2
69.91972	1.5
70.02966	1.7
70.06797	1.6
71.05011	2.6
79.05522	5.4
81.03451	3.0
83.05030	2.5
84.82245	1.5
86.61060	1.8
90.21874	1.4
91.05534	2.9
93.03423	4.1
95.05034	3.4
96.96013	2.0
97.02940	4.7
97.06573	1.7
98.20595	3.9
98.93056	1.6
105.07103	4.6
107.05003	4.6
109.02942	7.0
109.06565	2.6
110.10479	2.0
117.07111	2.6
119.04955	2.7
119.08663	2.1
121.06571	6.7
122.03751	2.3
123.04511	5.0
133.06586	9.6
135.04494	6.9
135.08206	2.2
137.09019	1.6
143.08646	3.3
145.06577	11.2
146.08252	10.9
147.04503	1.9
147.08116	3.2
149.06027	3.4
157.06586	17.5
158.07344	3.9
159.04483	5.1
159.08104	5.0
161.06021	2.8
161.09708	12.8
163.07628	6.4
169.10243	3.0
170.07387	5.2
171.04294	1.6
171.08168	5.1
172.08934	2.7
173.06076	3.5
173.09702	24.8
174.09956	1.9
175.03973	2.4
175.07648	8.7
175.11256	1.7
181.06592	3.7
182.07378	3.1
183.08070	2.0
185.06009	3.3
185.09711	20.9
187.07635	3.9
187.11272	3.1
188.08382	2.0
189.05605	3.6
189.09193	4.0
193.08604	2.0
195.08092	2.3
197.09720	24.7
198.10085	2.0
199.07611	3.6
200.08461	5.4
201.05519	6.7
203.10773	52.8
203.14340	1.8
204.07959	2.4
204.11110	2.8
205.08673	2.1
213.09239	2.7
215.10748	44.6
216.11134	2.6
217.08635	3.9
222.92618	1.7
229.08791	3.9
229.48186	1.7
231.10242	5.9
233.11847	14.5
233.15556	2.5
234.12206	2.1
241.08725	8.8
244.07306	2.3
247.09726	46.2
248.10025	2.6
256.63208	2.2
259.09738	100.0
260.10117	9.4
277.10773	85.1
277.21555	7.7
278.11096	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2016
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
55.68885	2.6
59.84906	2.4
60.22845	2.4
61.38611	2.4
66.82097	2.4
71.14136	4.6
73.59579	2.4
150.10167	2.3
157.95491	2.2
195.30594	2.7
231.21173	100.0
232.21428	8.2
275.20285	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	277.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52923	0.8
60.19911	0.7
64.12183	0.6
69.56560	1.7
69.56969	2.3
79.95735	25.7
80.96526	7.7
98.20684	0.6
103.71597	0.7
116.18195	0.6
137.02440	15.2
145.05067	0.7
151.04027	3.6
166.69069	0.6
182.05833	100.0
183.06169	3.6
197.08183	76.1
198.08525	2.8
277.03848	69.4
278.04114	3.3
283.24423	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40866	0.4
53.19390	0.4
59.01369	1.3
61.53799	0.4
69.84383	0.4
71.01369	0.9
71.33026	1.0
72.99271	0.9
73.02958	0.7
74.21175	0.4
78.95900	1.9
79.24162	0.4
79.95741	1.5
80.96554	0.5
81.03457	5.5
83.05025	47.4
84.05344	0.6
87.00908	1.0
87.04524	0.5
89.02438	1.4
96.96015	1.3
96.96963	1.1
97.98402	0.5
99.99924	0.4
101.02448	1.4
101.04308	1.4
101.06081	38.4
102.06425	0.7
102.98587	1.2
112.32214	0.4
119.78136	0.4
127.04006	4.3
129.03781	2.6
131.03526	0.9
145.01430	1.6
145.05064	100.0
146.05412	1.7
147.04836	2.0
149.04588	2.9
153.10782	0.5
174.05615	1.6
182.05811	4.2
190.05121	0.9
197.08188	2.6
218.04582	1.2
235.06564	0.6
276.98859	1.2
277.04199	2.9
277.09320	13.5
277.12601	1.1
277.21826	2.2
278.09518	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96080	0.8
57.91053	0.9
59.01373	2.6
59.34943	0.8
60.07477	0.9
60.96968	0.8
60.99296	1.0
63.37587	0.9
69.03457	2.7
71.01371	2.4
71.51482	1.0
72.99332	1.1
73.02941	2.5
77.75263	0.9
78.06375	1.0
79.95733	3.0
80.96531	1.5
83.05019	1.0
87.00888	2.3
87.04495	1.1
89.02444	4.0
93.03454	3.5
96.96018	3.9
97.06602	1.5
99.04543	0.9
99.08152	27.0
101.04321	2.9
101.06078	3.3
103.03951	1.2
117.03443	1.0
118.98071	3.8
137.02440	4.2
143.07143	100.0
144.07475	2.8
149.04558	19.6
151.03960	1.7
173.04543	7.8
180.02885	1.1
180.04279	5.4
187.04298	1.5
195.06653	7.9
275.02240	8.3
275.11459	14.1
275.14743	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.129
Annotation	Pestalotheol D
Peak:m/z	Relative Intensity
57.03450	3.6
57.41490	1.4
59.01394	1.7
67.67819	1.6
68.56573	1.3
69.03457	1.9
71.53339	1.8
92.04605	1.6
95.05016	1.7
107.05014	2.5
113.02507	1.6
117.03519	2.8
119.05012	1.6
121.06586	2.0
123.04536	3.0
131.53017	1.4
133.02948	1.6
133.06583	2.7
134.03723	4.1
135.04518	3.6
143.05042	3.5
143.08740	2.2
147.04501	2.5
147.08127	1.5
149.06033	2.8
151.04131	1.7
157.06580	2.6
159.04486	5.5
159.08138	5.1
161.02443	5.1
161.06056	4.7
161.09735	1.8
162.03241	19.7
163.03981	5.5
163.07700	2.3
171.04517	3.1
171.08159	6.6
173.06039	4.6
173.09729	1.6
174.03210	5.5
174.06837	1.9
175.03995	9.0
175.07651	3.6
176.04694	1.9
177.05562	7.0
178.02725	1.8
178.06316	2.5
183.08060	4.0
185.06042	5.1
185.09752	2.1
186.06798	1.9
187.04007	6.3
187.07640	6.1
187.11284	5.8
188.04781	42.0
188.06448	3.2
189.05513	13.9
189.09193	3.1
190.02718	5.5
190.06366	3.3
191.07141	32.4
192.07533	1.5
195.08057	3.7
197.05974	1.8
198.06808	2.1
199.07626	4.2
200.04771	1.7
201.05560	6.6
201.09300	6.9
202.06413	9.3
202.99838	1.6
203.05209	1.8
203.07118	35.6
203.08905	2.7
204.07707	7.0
211.07614	1.9
213.05630	2.5
213.09135	11.5
215.07121	3.8
216.04260	5.4
216.07843	6.1
217.08679	100.0
218.09052	8.9
219.06607	18.7
221.15967	1.5
227.07213	3.8
229.08702	2.1
231.06670	15.9
231.10229	18.6
232.06929	1.8
232.10664	2.2
245.08194	15.9
246.08833	12.8
246.10915	1.6
257.08258	3.0
260.10489	31.1
261.10788	2.1
275.09338	18.9
275.12885	87.0
275.16348	5.9
275.20135	4.5
276.13165	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	275.1652
Annotation	Buddledin A
Peak:m/z	Relative Intensity
59.01379	100.0
60.01719	0.6
63.51031	0.4
66.90957	0.4
69.46331	0.4
69.46720	0.4
70.37307	0.9
71.01412	0.5
79.95774	0.4
92.14902	0.4
96.47179	0.4
115.24698	0.4
117.03401	0.4
133.06595	1.5
135.08167	6.4
159.08090	0.6
171.08186	0.9
173.09720	1.8
192.95631	0.4
201.09230	1.0
203.07159	0.6
203.14458	0.5
213.09050	0.7
215.14363	6.5
216.14760	0.4
231.10242	0.5
231.13924	1.2
231.17558	0.7
233.15448	55.5
234.15773	2.8
245.08102	1.0
257.08069	0.5
275.09283	1.5
275.16525	5.1
275.20148	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	275.0925
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
54.16242	6.0
57.03440	22.2
59.01379	27.4
67.01883	32.2
69.03446	8.0
69.76888	32.2
83.01409	8.1
85.02973	7.9
91.05521	13.4
97.02931	13.7
111.04618	7.4
119.05026	9.2
121.06574	13.8
130.04250	8.2
131.05017	10.5
133.06567	20.4
135.04536	12.8
141.07088	7.4
143.05042	30.0
144.05821	28.3
145.06580	16.8
147.04512	17.4
149.06050	6.9
156.05789	18.4
157.06621	28.3
158.03696	11.1
159.04475	29.4
159.08144	83.3
161.02393	6.9
161.06078	29.0
163.07610	16.2
169.06548	19.0
170.07323	17.0
171.04506	12.6
171.08160	62.2
172.05241	10.8
173.06071	16.6
173.09727	10.2
175.03984	8.0
175.07605	26.7
183.08125	28.6
185.06100	36.2
185.09663	12.2
186.06847	26.8
187.03987	8.3
187.07607	39.0
189.09131	11.9
195.08154	11.8
197.06129	11.5
198.06845	26.5
199.07501	12.6
201.05409	10.9
201.09200	100.0
203.07095	23.7
204.26323	5.6
205.08659	9.1
211.07713	10.4
213.09187	64.3
215.07091	50.4
216.07896	7.4
227.07068	17.8
229.08632	28.9
231.10304	44.5
233.08153	9.6
245.08168	93.9
257.08221	53.1
275.09262	99.3
275.16498	23.2
275.20013	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	275.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96080	0.8
57.91053	0.9
59.01373	2.6
59.34943	0.8
60.07477	0.9
60.96968	0.8
60.99296	1.0
63.37587	0.9
69.03457	2.7
71.01371	2.4
71.51482	1.0
72.99332	1.1
73.02941	2.5
77.75263	0.9
78.06375	1.0
79.95733	3.0
80.96531	1.5
83.05019	1.0
87.00888	2.3
87.04495	1.1
89.02444	4.0
93.03454	3.5
96.96018	3.9
97.06602	1.5
99.04543	0.9
99.08152	27.0
101.04321	2.9
101.06078	3.3
103.03951	1.2
117.03443	1.0
118.98071	3.8
137.02440	4.2
143.07143	100.0
144.07475	2.8
149.04558	19.6
151.03960	1.7
173.04543	7.8
180.02885	1.1
180.04279	5.4
187.04298	1.5
195.06653	7.9
275.02240	8.3
275.11459	14.1
275.14743	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28442	4.2
55.01870	5.6
55.65710	4.6
57.03450	25.0
59.01375	10.3
67.01888	18.8
69.03468	5.6
69.85356	21.5
77.20998	4.3
79.05525	5.4
83.01362	5.2
87.42326	3.9
91.05536	5.9
91.15733	4.0
99.19696	3.8
107.05030	7.7
109.02953	4.7
117.07060	5.3
119.04997	6.9
121.03025	6.8
121.06623	8.6
130.04268	6.0
131.05013	13.5
131.08675	5.4
133.02911	9.0
133.06569	10.6
134.03752	7.4
135.04515	13.1
141.07080	6.7
143.05032	29.9
143.08633	12.9
144.05783	18.1
145.02898	5.3
145.06535	14.0
147.04518	13.7
148.05209	5.7
152.80084	4.2
155.04915	6.5
155.08629	4.8
156.05774	16.9
157.06548	21.1
158.03712	6.8
159.04482	19.0
159.08157	63.6
160.05345	7.5
160.08463	5.4
161.06073	17.5
162.03241	5.3
163.07629	12.9
167.08609	10.2
168.05707	6.1
169.06581	16.3
169.10246	4.9
170.07347	16.5
171.04535	14.6
171.08148	64.7
172.05275	12.1
173.06033	18.9
174.06740	5.2
175.03926	6.3
175.07602	9.3
176.04773	6.2
177.05540	5.2
180.05838	7.5
183.08156	55.7
184.08524	8.6
185.06093	23.4
185.09657	30.9
186.06793	22.5
187.03978	7.0
187.07652	22.3
188.04720	6.9
189.05566	6.4
189.09074	6.2
191.07138	14.6
195.08150	80.3
196.05298	5.1
197.06084	18.3
198.06891	30.0
199.07549	6.8
201.05421	4.9
201.09190	86.1
203.07066	11.9
205.08676	7.1
211.07661	10.8
213.09207	71.8
215.07115	31.3
217.05040	9.6
227.07152	13.2
229.08722	10.8
231.10275	45.2
239.07141	23.0
245.08180	86.9
246.08495	6.7
257.08200	70.7
275.09216	100.0
276.09613	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	275.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	44.1
59.01377	7.4
59.79907	2.3
65.00322	2.9
67.01888	11.8
67.14056	2.4
69.03452	9.4
71.01053	2.0
71.01368	13.6
73.02920	2.5
79.05524	3.1
81.95287	5.6
83.01380	8.1
85.02960	9.3
91.05553	5.8
93.03475	5.8
95.01368	4.0
95.05003	3.3
97.02954	8.8
97.06595	5.0
103.05614	3.2
105.03423	3.0
105.07114	4.2
106.04241	3.3
107.05023	6.8
109.02955	3.3
111.04629	2.4
112.64833	2.8
113.02442	21.7
115.05489	3.6
117.03471	48.1
117.07105	5.3
119.05032	5.3
119.08662	6.4
121.02943	4.9
121.06590	7.8
123.04503	5.9
128.06351	2.6
129.07076	2.8
130.04237	5.5
131.05019	6.6
133.02969	6.7
133.06583	13.2
134.03737	19.6
135.04547	11.4
135.08138	6.3
137.02420	4.6
139.03961	2.4
141.07033	3.3
143.04993	20.7
143.08621	6.2
144.05765	10.2
145.02945	4.5
145.06583	8.8
146.03796	3.8
147.04477	12.3
147.08170	9.0
148.05324	4.4
149.06073	14.3
156.05809	9.7
157.06557	16.3
158.03685	3.3
158.07385	3.1
159.04526	30.5
159.08116	41.0
160.05225	6.8
161.02420	9.4
161.06081	35.7
161.09741	7.4
162.03198	13.8
162.06717	2.7
163.03984	10.8
163.07648	23.0
164.04646	2.2
169.06604	7.0
170.07291	6.4
171.04504	26.1
171.08156	40.1
172.05276	10.6
173.06079	18.5
173.09709	5.6
174.03165	3.8
174.06841	5.1
175.03995	19.7
175.07594	13.7
177.05537	11.1
178.02571	2.5
178.06348	8.4
183.08125	14.3
185.06114	15.5
185.09708	10.6
186.03281	2.8
186.06844	13.2
187.04001	63.7
187.07629	18.5
187.11285	3.8
188.04573	4.9
188.08405	4.4
189.05566	16.4
189.09209	14.5
191.03468	5.3
191.07124	10.2
193.08670	5.6
195.08049	12.3
197.06087	10.6
198.06877	14.5
199.03992	4.2
199.07539	4.0
200.04733	4.8
201.05537	10.2
201.09200	54.3
202.06310	7.0
203.07126	24.2
203.10884	5.3
205.05045	5.3
205.08624	5.9
211.07565	6.6
213.05499	3.9
213.09204	38.7
214.06248	3.6
215.07127	22.2
216.07906	7.2
217.05066	19.5
217.08667	4.7
227.07025	6.0
229.08730	12.2
231.06723	18.1
231.10278	46.1
232.07249	3.2
232.10661	4.2
233.08229	5.8
234.98552	2.6
245.08163	62.2
246.08327	3.1
257.08203	29.1
275.05585	42.9
275.09219	100.0
275.16519	8.1
276.09451	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	275.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20764	7.6
57.03446	32.8
59.01382	12.1
67.01889	22.5
69.03459	26.6
69.53212	56.7
79.97858	8.4
83.01395	16.5
86.10661	8.1
91.05550	10.9
93.03462	12.2
97.02941	25.1
98.20648	15.2
104.92001	8.8
107.05002	10.3
110.00702	8.3
113.34443	8.3
117.07169	9.3
119.05031	9.0
120.53543	8.4
121.06600	11.4
130.04167	11.8
131.05063	16.1
133.02951	10.7
133.06595	24.0
135.04546	10.4
137.25346	7.3
143.05017	43.1
143.08699	16.2
144.05806	18.8
145.06636	9.1
147.04515	30.9
156.05777	27.4
157.06584	26.2
159.04523	36.8
159.08142	92.2
161.02382	11.4
161.06102	31.4
163.07649	16.5
169.06595	22.7
170.07356	14.5
171.04564	8.7
171.08122	87.5
172.05243	13.8
172.08463	10.3
173.06038	25.3
175.07619	27.0
177.05563	20.7
183.08167	28.6
185.06084	32.0
185.09685	22.4
186.06871	23.3
187.04008	16.4
187.07649	35.0
189.09245	16.9
191.03464	15.1
191.81187	9.5
195.08075	17.5
197.06021	22.9
198.06827	37.0
201.05603	19.9
201.09248	100.0
202.06284	10.2
203.07124	15.9
211.07658	12.0
213.09218	96.4
214.06357	10.5
215.07199	42.1
216.07881	10.7
217.08661	13.8
223.49286	8.6
227.07155	10.6
229.08633	19.8
231.10243	63.0
245.08221	89.0
257.08237	32.8
275.09290	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0925
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
55.09140	3.6
57.03445	18.8
59.01371	7.5
67.01882	24.0
69.03449	7.1
70.02704	15.9
91.05521	6.3
97.02936	10.7
98.20571	6.1
107.05045	7.3
115.05486	5.3
117.07022	5.1
119.04985	11.0
119.07940	3.5
121.06604	4.7
130.04272	5.3
131.04993	9.5
133.06575	16.9
134.03670	7.8
135.04500	11.8
141.07103	6.8
143.04997	21.7
143.08676	13.3
144.05779	13.0
145.06543	13.3
147.04469	8.7
155.05078	4.7
156.05766	15.9
157.06596	25.1
158.03680	4.9
159.04478	20.1
159.08150	72.7
160.05225	5.4
160.08412	5.7
161.06027	16.6
162.03171	7.5
163.04024	6.8
163.07611	12.7
167.08588	5.5
168.05751	6.0
169.06500	12.0
170.07315	16.3
171.04514	10.3
171.08147	65.2
172.05252	13.1
173.06027	16.0
174.06744	4.3
175.04012	6.0
175.07593	25.1
183.08104	43.1
183.93405	4.6
184.05386	4.5
185.06038	21.4
185.09662	15.1
186.06805	18.9
187.03984	12.6
187.07596	24.6
188.04736	5.1
189.05594	7.1
189.09152	5.8
193.08696	4.3
195.08098	36.0
197.06036	15.1
198.06824	28.8
199.07448	8.9
201.05554	22.9
201.09200	76.6
202.06342	5.5
202.09483	6.1
203.07109	34.8
205.08633	5.0
211.07632	7.0
213.09184	75.2
214.06233	3.7
215.07095	33.6
227.07108	9.8
229.08714	8.1
231.10248	49.1
239.07155	12.2
245.08176	63.8
257.05637	6.2
257.08157	54.4
275.09229	100.0
276.09674	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65736	2.8
57.03448	25.2
59.01374	6.5
67.01890	21.6
69.03457	6.9
71.01393	4.1
79.05517	4.8
83.01382	5.1
87.18830	2.9
91.05544	6.8
93.03443	3.9
95.01400	2.9
97.02985	5.6
97.06594	2.6
98.66804	2.6
103.05580	3.4
103.44679	2.8
105.07098	5.4
107.05046	4.3
109.02906	3.3
115.05574	4.0
117.03404	4.8
117.07078	5.7
119.05038	5.4
121.02973	3.5
121.06598	7.7
130.04230	5.4
131.05029	7.7
131.08646	4.4
133.02901	5.0
133.06601	12.2
134.03746	6.0
135.04501	11.3
141.07124	3.9
143.05054	32.1
143.08679	6.0
144.05821	15.0
145.06589	13.9
146.03711	4.6
147.04543	8.4
147.08110	3.5
155.05022	7.9
155.08652	5.3
156.05821	13.5
157.06583	23.4
157.10150	3.7
158.03743	6.6
159.04498	20.4
159.08156	62.8
160.05212	3.6
161.02460	3.6
161.06071	17.9
162.03253	3.7
163.03961	4.7
163.07652	7.9
167.08620	10.1
168.05846	4.5
169.06532	15.9
170.07375	13.1
171.04536	12.5
171.08160	55.5
172.05270	12.1
173.06062	28.0
173.09818	3.1
174.06793	7.0
175.04016	6.5
175.07626	12.9
176.04762	6.6
178.02718	3.8
180.05748	6.7
183.08177	50.4
185.06065	19.3
185.09703	25.0
186.06898	14.8
187.03983	11.8
187.07642	22.9
188.04755	4.2
189.09198	10.3
191.07176	13.2
194.07339	4.2
195.08145	85.8
196.05235	6.4
197.06129	18.8
198.06845	26.1
199.07478	5.8
201.05641	14.5
201.09196	77.4
202.06395	5.1
202.09547	5.1
203.07130	14.7
205.08678	5.0
211.07629	16.3
213.09200	74.3
214.09563	5.0
215.07133	34.1
217.04982	7.0
226.26955	3.5
227.07115	14.0
229.08731	10.2
231.10237	52.4
239.07085	20.4
245.08159	74.7
246.08623	5.2
257.08200	59.9
258.08646	4.9
275.09247	100.0
276.09579	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	275.0925
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
51.40003	4.3
57.03457	24.0
59.01374	8.1
67.01886	18.4
69.03461	4.4
69.62341	25.7
74.47028	3.8
75.25654	3.6
82.67753	4.1
83.01422	5.3
91.05528	6.4
93.03419	4.6
94.00410	4.5
95.05029	5.7
97.02971	6.4
105.07080	5.0
109.02940	13.5
115.70017	3.9
117.07101	5.8
121.02941	7.8
121.06599	11.2
123.04515	15.0
124.70032	4.3
130.04260	6.2
131.05003	5.7
131.08679	4.5
133.02957	6.7
133.06596	12.1
134.03708	8.8
135.04498	6.1
141.07085	4.9
143.05020	20.0
143.08662	8.8
144.05794	10.4
145.06570	13.4
147.08191	7.6
151.04016	28.9
156.05754	10.5
157.06572	18.3
158.03661	4.8
159.04466	15.3
159.08133	52.9
160.08563	4.9
161.06104	7.1
161.09700	7.6
163.07599	13.0
167.08638	6.9
169.06552	11.1
170.07370	12.8
171.04570	10.7
171.08154	47.4
172.05324	6.7
173.06052	37.0
173.09659	4.9
174.06871	5.5
175.07602	12.3
176.04712	5.7
177.05484	9.2
181.06480	6.5
183.08174	47.4
185.06059	24.2
185.09680	20.0
186.06787	14.2
187.03983	6.9
187.07625	16.5
187.11435	5.1
188.08357	5.7
189.05518	4.9
189.09218	17.6
191.07047	7.0
195.08142	55.7
196.05359	4.6
197.06038	15.3
198.06827	29.6
199.07564	8.9
201.05515	12.6
201.09207	64.7
202.09570	5.3
203.07101	11.3
203.10638	6.5
205.08658	4.5
210.30551	4.4
211.07693	10.2
213.05417	4.3
213.09193	90.1
214.09561	5.8
215.07072	28.0
216.07661	7.4
217.05095	8.3
227.07065	9.0
229.08676	12.3
231.10252	64.5
239.07097	23.0
245.08156	59.0
257.08188	52.9
258.08447	5.1
275.09259	100.0
276.09717	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	273.0437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83786	0.1
65.03874	0.1
69.31976	0.3
69.32379	1.3
79.95736	38.5
80.96513	0.4
91.37881	0.1
95.95211	0.2
96.96027	0.3
99.60107	0.2
105.59857	0.1
106.44355	0.2
107.05051	0.2
109.02933	0.2
135.04523	12.3
149.06039	0.4
159.28319	0.2
163.04008	100.0
164.04335	1.9
177.05585	0.4
178.06348	62.2
179.06718	1.7
184.14592	0.2
193.08690	59.3
194.09012	2.4
245.17339	0.1
258.01978	2.4
273.04373	79.9
274.04700	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	275.023
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84612	1.8
69.85030	1.3
79.95737	33.5
80.96522	1.5
86.79405	0.5
96.96012	86.8
107.05010	2.5
109.02949	0.9
110.97584	19.3
111.00886	1.7
116.50311	0.7
117.03471	1.2
119.05021	0.9
133.02890	0.7
134.03702	1.2
135.04524	53.1
136.04845	1.5
139.00375	8.2
143.03513	2.2
144.03677	0.6
145.02882	0.7
153.01955	0.8
154.02725	6.0
161.02397	0.7
162.03189	3.7
163.04008	100.0
164.04355	3.8
177.05577	0.9
180.04263	2.1
195.06615	9.9
198.93558	0.7
217.19661	0.6
231.10217	1.6
233.98405	12.4
242.99707	1.6
272.33066	0.6
275.02277	7.5
275.09222	1.8
276.02777	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.023
Annotation	Unknow
Peak:m/z	Relative Intensity
67.75414	0.4
69.30595	3.0
94.47699	0.4
152.04793	1.5
180.04272	100.0
181.04575	3.8
185.49223	0.4
195.06613	97.4
196.06940	4.6
273.97668	0.4
275.02319	24.0
276.02640	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0232
Annotation	GW 9662
Peak:m/z	Relative Intensity
69.26032	2.5
69.26440	6.3
75.29645	1.0
79.95736	29.5
80.96503	5.8
83.05719	0.8
96.96011	9.3
98.20708	2.2
103.75771	0.9
111.00915	1.6
122.32170	1.1
124.01655	1.4
125.02474	1.0
135.04526	1.0
139.00371	52.1
139.04008	2.2
140.05847	1.1
143.07144	5.5
150.03261	1.3
154.02711	66.3
155.03009	2.1
161.02376	1.3
162.03221	69.8
163.03835	4.8
177.05563	33.5
180.04282	23.6
193.05074	4.6
195.06616	100.0
196.07005	4.7
218.99666	5.4
233.98373	17.3
275.02307	61.1
276.02673	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0562
Annotation	CHEBI:74295
Peak:m/z	Relative Intensity
53.99607	0.6
57.03430	2.2
59.01370	1.1
60.37230	0.6
65.00314	1.7
67.01894	1.0
71.01376	0.8
71.53891	0.8
75.58546	0.6
81.03454	0.7
81.95314	1.3
82.18274	0.5
83.01381	0.8
93.03456	9.0
96.95987	0.8
97.02966	2.0
97.06565	1.1
99.20260	0.7
108.02213	0.9
111.04512	1.3
113.02448	9.4
115.05576	0.8
116.02720	1.4
117.03461	100.0
118.03814	3.4
119.05039	1.2
121.02965	0.7
121.06543	0.7
123.04530	0.7
128.64412	0.7
129.03461	0.8
130.04297	0.9
131.05052	1.3
133.03000	1.0
133.06601	1.1
134.03735	5.3
135.04503	2.0
137.02437	4.5
143.05017	6.9
144.05811	1.3
145.02936	1.6
147.04507	0.9
147.08221	0.8
155.03490	0.6
155.04948	0.8
156.05780	2.8
157.06578	2.9
158.03728	2.6
159.04549	3.3
159.08170	2.4
161.02449	2.3
161.06068	2.1
162.03201	5.0
163.04015	1.9
163.07608	1.0
171.04503	38.3
171.08163	2.6
172.05132	4.2
173.06042	3.3
175.03925	1.0
175.07576	1.1
178.02754	0.8
178.06323	1.4
181.01421	1.4
183.08163	1.5
185.06105	0.8
185.09663	0.7
186.03210	7.8
187.04013	5.0
187.07616	1.3
187.79152	0.6
189.01924	1.9
189.05540	1.3
189.09109	0.9
190.02728	1.3
193.08766	1.1
195.08179	2.1
198.06868	1.2
199.04071	3.1
199.07616	0.8
200.04774	6.2
201.05540	5.8
201.07191	0.8
201.09151	3.0
203.07127	17.7
203.10695	0.8
204.04243	1.6
211.07558	0.9
213.09235	3.5
215.07164	1.1
217.04997	1.0
229.08736	2.3
231.06602	32.1
231.10020	4.6
232.06961	1.8
245.08110	3.3
257.08179	2.0
275.05630	93.4
275.09161	10.4
276.05920	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	273.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.4
59.01378	1.0
62.67261	0.4
63.90532	0.4
71.01402	1.0
71.50130	0.4
72.99306	0.6
73.02946	43.0
74.03287	0.6
78.95914	1.8
83.10598	0.4
86.70889	0.4
96.96014	4.2
99.00879	5.7
105.01944	1.1
105.84304	0.4
110.98531	1.7
114.36644	0.4
115.00365	1.0
115.03963	0.6
117.01941	100.0
118.02267	2.2
125.00933	0.7
127.02560	0.5
129.01956	0.5
133.01436	0.7
143.03423	0.4
148.98616	1.2
150.27312	0.4
152.99596	1.5
155.01898	0.6
156.99918	0.8
168.99924	1.1
171.01578	0.4
172.97705	0.8
173.02927	0.8
174.96541	0.6
175.04015	0.4
191.57623	0.4
193.44014	0.4
196.99538	0.6
198.09995	0.4
199.00249	2.7
212.19983	0.4
212.97165	0.5
212.98999	0.9
222.76280	0.4
238.85837	0.4
241.01219	0.5
273.03824	2.8
273.09863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0382
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
60.67429	0.4
70.21832	1.2
71.01377	0.6
78.95902	88.9
83.01399	0.8
85.02940	0.5
96.95432	0.3
96.96014	1.5
96.96953	4.4
98.95583	0.5
110.98530	65.5
115.00346	0.6
120.94553	0.4
125.00951	1.0
126.98868	0.8
136.93974	3.2
143.00163	0.4
143.70227	0.4
145.01726	0.6
168.99986	2.2
169.72931	0.4
182.99609	0.5
186.99182	0.6
200.91136	1.0
201.08786	0.9
210.99193	0.6
212.97142	1.6
229.00168	1.0
241.01180	19.4
242.01425	0.8
246.91736	3.8
273.03790	100.0
274.04153	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	271.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24848	0.5
68.99565	0.7
71.52567	0.7
83.05008	0.5
83.64678	0.5
108.02155	1.3
109.02936	0.7
125.02396	0.9
190.06436	0.5
209.19102	0.5
211.20648	1.5
213.05644	0.7
225.22198	1.4
241.05028	1.0
251.99672	0.5
253.21690	2.1
256.03540	0.5
256.07352	1.4
269.21167	0.7
271.22778	100.0
272.23129	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	271.2278
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
50.14665	0.4
59.01371	0.4
71.51965	0.5
73.28775	0.3
81.54063	0.3
94.78457	0.3
108.02170	0.7
117.72019	0.4
125.02457	0.8
181.87833	0.4
213.05531	0.7
221.39740	0.3
225.22220	3.3
241.05006	0.8
253.21741	1.9
255.07695	0.4
256.07303	0.6
269.21130	0.8
271.22772	100.0
272.23123	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	272.099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94702	0.3
59.01381	11.0
59.79154	0.3
68.26966	0.3
71.34291	0.6
78.95921	0.4
115.00365	0.5
117.00463	1.8
128.07178	1.6
130.08739	100.0
131.09088	2.2
134.04739	1.1
167.76262	0.3
168.99997	0.8
169.47301	0.4
172.01004	0.4
186.99324	0.8
188.07710	0.3
210.06216	0.6
212.97215	0.9
222.08975	0.3
228.07362	2.8
230.06665	0.6
230.08832	7.8
231.09155	0.6
233.93405	0.4
272.09897	38.8
273.03943	0.6
273.10092	3.7
285.73044	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59998	0.8
53.33288	0.9
55.01886	5.2
57.03448	8.0
59.01381	10.1
61.35975	0.7
69.03421	2.1
69.89965	2.1
69.90364	1.9
71.01381	10.7
71.05024	18.1
72.01726	1.5
72.99289	3.6
73.02947	6.0
74.99076	1.3
79.95719	1.2
80.02679	1.5
81.03438	1.2
81.94830	1.0
83.01400	2.0
83.05006	3.0
84.05447	0.8
85.02953	7.9
85.06586	7.1
87.00865	2.1
87.04515	100.0
88.04870	1.1
89.02412	0.9
92.05058	3.8
93.03473	1.4
93.05383	3.9
95.05060	1.7
97.06581	5.1
99.00865	1.7
99.04510	3.4
101.06096	4.6
103.03991	1.5
107.05025	1.3
108.02182	5.0
109.02949	2.2
109.06580	4.0
111.00869	1.7
111.04496	1.1
111.08165	5.6
112.98822	4.2
115.00336	1.3
117.05391	0.8
118.06652	1.0
119.06956	2.2
121.06575	1.7
123.08144	2.5
125.02432	2.2
125.06050	2.0
125.09715	7.3
126.03237	9.2
127.04030	1.7
132.08189	1.8
133.08560	4.5
133.67833	1.1
135.08147	1.2
135.11781	1.2
137.06070	1.8
137.09711	3.2
138.17354	0.9
139.07663	2.7
139.11293	45.5
140.11618	2.0
140.62105	1.1
141.12822	2.5
147.08124	2.1
149.09711	1.5
151.07643	1.2
151.11275	3.4
153.05540	4.2
160.07619	1.7
161.08020	4.9
165.09232	6.5
165.12859	1.7
167.07011	1.1
167.10764	1.1
169.12350	2.4
174.01678	27.1
175.02116	0.9
175.11264	1.0
183.10329	1.3
183.13885	8.1
185.11818	1.1
191.14407	12.3
191.85931	0.9
197.08148	0.9
199.09727	1.0
209.15477	9.4
211.06116	1.5
213.05518	1.4
227.09195	2.9
227.12845	2.4
227.16515	14.1
228.13943	0.9
241.05113	2.7
253.14453	25.5
254.14850	1.1
256.07321	2.1
271.10254	22.0
271.15482	44.1
271.22580	1.3
272.10324	1.5
272.15790	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	269.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15536	1.4
54.65692	1.4
55.01865	4.8
57.03445	17.9
59.01118	2.3
59.01381	34.3
69.03458	3.9
70.63914	4.8
71.01389	19.8
71.05009	6.1
72.02146	4.3
73.02946	33.4
74.02467	3.4
77.80186	1.7
79.05505	2.4
79.95728	6.4
80.96502	2.7
81.03455	7.0
83.01392	2.0
83.05025	11.9
85.02445	3.2
85.02946	32.4
87.00871	6.7
87.04507	26.0
93.03461	46.0
95.05006	5.5
96.96012	85.3
97.02926	4.0
97.06598	16.3
98.02460	4.6
98.03724	4.0
98.95550	2.1
99.04524	13.0
105.57919	1.6
107.05031	6.2
108.02162	5.9
109.02948	6.4
109.06616	9.0
111.04508	5.0
111.08132	6.1
115.02213	2.2
121.02951	3.0
121.06624	7.7
123.04547	2.3
123.08162	20.4
125.02444	2.9
125.06077	5.3
125.09702	5.6
126.03225	78.9
127.03987	2.9
127.07639	2.3
133.03293	3.0
133.06601	4.1
133.10239	2.7
134.03720	2.0
135.04503	14.6
135.08148	10.5
136.05200	1.5
137.02448	100.0
137.06079	8.6
137.09752	7.6
138.02853	2.6
139.07614	4.6
147.04529	4.1
147.08121	5.8
149.04507	5.7
149.06046	2.6
149.09726	33.0
151.07663	12.6
151.11282	25.7
153.05600	3.7
153.09204	16.3
159.08139	3.5
161.06061	2.4
161.09688	3.3
163.07619	4.9
163.11269	4.2
165.09198	9.1
167.10771	27.2
175.07628	1.8
175.11263	3.3
177.09193	42.3
177.12794	4.6
179.10773	3.8
181.12341	2.0
183.10249	7.9
187.11217	2.4
189.11287	22.1
189.12910	7.0
192.07884	2.5
193.12347	7.7
195.10223	15.6
195.13927	3.6
203.10742	2.6
205.12317	5.0
207.02983	1.5
207.06946	4.2
207.13919	4.0
209.04915	3.7
215.10791	1.7
221.11778	5.8
225.11320	3.9
227.12833	2.5
232.15477	1.5
233.11807	3.6
239.12898	2.8
251.12885	26.3
269.04132	3.2
269.07007	55.9
269.13913	73.0
269.16821	3.6
269.21216	7.3
269.24844	6.1
270.07297	2.6
270.14053	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	269.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55319	0.3
57.03450	3.1
59.01381	100.0
60.01718	0.5
60.99313	0.4
66.95602	0.3
70.18797	0.3
71.05052	0.5
83.05022	1.0
87.00877	1.5
95.05006	0.4
97.06582	1.3
99.04527	3.3
102.77341	0.3
107.05050	0.5
109.06584	2.3
111.08147	0.6
121.06608	1.0
163.11278	0.9
165.12846	14.4
166.13190	0.7
175.71431	0.3
181.12364	1.2
189.12825	2.5
191.10779	1.6
207.13895	16.8
208.14296	1.1
209.11827	24.4
210.12120	0.9
225.14970	12.0
226.15344	0.7
251.12874	9.4
252.13240	0.6
269.13931	52.3
270.14267	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	269.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41970	0.7
57.03449	2.5
59.01379	100.0
60.01709	0.9
74.60886	0.7
83.05039	1.0
83.96404	0.7
86.59041	0.7
87.00895	0.8
92.97640	0.8
99.04510	4.3
99.39085	0.7
106.41153	0.8
109.06568	1.2
150.12082	0.7
163.11311	0.9
165.12833	11.8
181.12286	1.3
189.12776	1.6
191.10791	1.8
207.12039	1.0
207.13890	15.4
208.14165	1.1
209.11821	23.0
210.12177	0.8
225.14955	10.5
226.15266	0.9
247.43707	0.9
251.12819	8.7
269.13925	59.9
270.14243	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43869	0.5
55.01878	1.1
57.03433	2.4
58.00587	1.3
59.01379	24.5
65.56574	0.5
69.03456	1.5
71.01382	39.7
71.05015	3.7
71.50568	0.7
72.99301	2.2
73.02943	2.5
79.95756	0.5
80.96540	0.7
81.03451	0.6
83.01354	0.8
85.02953	2.3
85.06605	1.4
87.00868	1.4
87.04515	15.7
89.02443	7.4
92.05060	37.6
93.03410	0.6
93.05391	1.2
94.02959	0.6
95.05101	0.5
96.95992	2.0
97.02924	1.0
99.04524	0.9
101.02424	1.0
101.06085	0.5
106.06618	1.7
108.02168	1.3
109.02946	1.1
109.06608	0.9
110.06823	0.6
116.05061	8.7
117.01907	0.5
118.06626	13.7
120.04539	0.5
125.09734	1.0
126.03219	2.0
130.06616	1.0
132.08192	31.3
133.08557	0.7
134.06116	8.6
136.04062	2.8
139.11288	8.0
141.12918	0.6
141.14175	0.6
142.06604	1.8
146.06129	2.8
151.11304	0.7
158.06113	1.4
160.07677	26.4
161.07953	1.5
162.05606	1.2
164.07150	2.1
174.01700	4.5
176.07159	4.2
178.05067	1.0
183.13898	1.2
190.34944	0.6
191.14398	2.1
204.06639	1.8
208.06279	0.7
209.15453	1.6
222.39745	0.5
226.10786	3.7
227.16460	1.7
253.14499	4.6
255.06648	0.8
270.09811	100.0
271.10260	4.9
271.15451	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	269.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74350	1.1
55.01876	2.5
57.03449	13.7
58.00612	1.3
59.01383	8.9
60.40612	1.3
61.98534	1.4
67.01898	2.4
69.03447	14.2
70.66070	1.2
70.84672	3.5
71.01373	9.1
71.05011	6.0
72.07382	1.3
72.99296	5.2
73.02946	17.5
79.05508	1.9
79.95724	8.1
80.96515	5.6
81.03434	3.6
83.01392	2.4
83.05026	13.9
85.02953	9.3
85.06583	1.4
87.00864	2.7
87.04517	7.1
89.30271	1.4
93.03465	18.5
95.05019	8.3
96.96006	11.2
97.02945	14.1
97.06585	15.9
98.95595	4.0
99.04512	8.6
101.02421	2.1
107.05028	18.4
108.02145	1.9
109.02920	7.6
109.06560	5.8
111.04508	8.1
111.08134	3.9
113.06059	2.9
115.04064	2.0
119.05028	1.7
121.06569	5.6
122.03714	1.7
123.04536	3.9
123.08147	7.4
125.06081	22.4
125.09721	5.0
126.03209	14.9
127.03995	8.9
127.07628	4.5
133.06554	1.9
133.10330	1.5
135.04536	7.2
135.08165	10.3
136.05273	1.8
137.02432	43.8
137.06084	5.3
137.09755	9.8
139.07639	3.3
141.09274	1.7
147.08131	12.7
149.04526	3.0
149.09692	7.3
150.06912	1.6
151.07654	7.2
151.11273	15.6
153.05615	1.9
153.09163	4.5
161.09654	2.5
162.06876	3.1
163.07620	6.1
163.11333	6.8
165.09171	12.8
167.10794	2.8
169.22073	1.5
169.23546	1.5
177.09200	14.7
177.12819	4.5
178.12918	1.2
178.87326	1.2
179.10825	1.8
180.07890	8.2
181.08708	5.2
189.12816	6.9
192.07927	7.4
193.08592	2.2
195.10237	17.5
196.10577	1.7
197.11880	2.2
202.87819	1.2
203.10745	1.6
207.10168	7.4
207.13847	4.1
210.08975	2.2
221.11815	2.6
225.11368	10.7
239.12886	15.6
251.09210	1.8
251.12869	5.6
269.04898	6.1
269.07339	2.4
269.10510	11.6
269.13904	100.0
269.21219	3.0
270.14200	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	269.0455
Annotation	Apigenin
Peak:m/z	Relative Intensity
51.43089	0.2
52.37868	0.2
57.61554	0.2
62.99479	0.2
63.02393	1.6
64.41354	0.2
65.00327	3.9
69.47242	0.8
69.47653	0.5
81.03472	0.2
83.01386	1.9
89.03956	0.2
91.04809	0.2
93.03440	0.5
98.19909	0.4
105.03450	1.3
107.01394	6.8
108.01677	0.2
109.30818	0.2
117.03463	25.0
118.03817	0.6
121.02956	1.7
149.02435	9.6
150.02803	0.4
151.00360	10.4
152.00769	0.3
157.06552	0.4
159.04509	1.9
161.02444	0.2
169.06593	0.4
171.04546	0.2
180.05859	0.4
181.06609	1.7
183.04501	1.6
185.02443	0.3
196.05296	0.5
197.06010	0.7
199.03920	0.2
201.05612	1.9
202.05917	0.2
213.05557	0.3
223.04036	0.2
224.04781	0.5
225.05557	3.9
227.03458	1.8
241.05070	0.3
269.04532	100.0
270.04889	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	269.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31706	5.7
57.03444	18.7
59.01377	17.7
59.37524	5.7
62.73109	6.5
64.34695	6.0
69.03461	8.0
71.01344	5.7
71.52912	10.6
71.53269	7.9
73.02963	8.9
77.59917	6.3
79.50921	5.2
79.95748	10.2
83.05048	13.1
85.02946	69.9
87.00896	51.7
93.03432	5.8
96.96016	13.2
97.02944	10.9
97.06582	19.0
101.06112	8.9
109.02960	10.9
109.06579	8.0
111.04520	8.1
113.06154	6.5
119.48341	5.8
121.06532	7.8
122.03733	9.6
123.08167	48.2
124.01595	7.2
124.04234	6.0
125.06020	8.6
137.02411	15.0
137.06061	12.1
151.03951	6.2
151.11197	6.9
163.11266	10.6
181.12384	8.2
197.11852	17.5
199.09772	18.2
207.10310	8.1
216.05728	6.1
225.11339	20.4
227.12949	6.0
241.14127	6.9
255.06744	6.9
269.10416	19.0
269.13931	100.0
269.16766	15.5
269.21161	14.9
269.24734	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	17.7
59.01371	18.8
60.78566	8.8
67.01928	6.7
69.79105	43.0
70.05228	6.9
71.01412	14.4
78.73878	7.2
79.95752	10.0
83.05036	23.6
85.02954	23.7
90.88891	7.9
91.71457	7.7
93.03448	23.3
95.05027	7.7
97.06577	61.1
98.00112	18.7
98.71747	7.6
98.95540	9.4
99.00887	18.1
101.02422	9.2
107.04983	9.0
111.08155	10.7
121.02958	100.0
137.02443	29.3
147.03088	9.8
151.11298	36.0
157.32109	8.8
161.09767	7.1
163.11302	52.8
181.12289	20.4
190.25844	7.5
195.06609	15.0
196.03822	7.0
196.17801	8.5
206.54317	8.1
221.78294	7.9
225.11342	92.4
269.09784	14.4
269.13986	52.2
292.44684	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	269.1294
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
59.01375	0.4
62.96375	0.5
69.86522	1.7
76.28357	0.3
78.13316	0.3
94.02953	0.8
95.38068	0.4
112.77919	0.4
120.04536	3.0
132.04668	0.3
134.06140	0.8
136.07643	1.1
149.09750	0.6
169.08890	0.4
173.05852	0.6
188.19034	0.4
198.12845	0.5
201.05316	1.0
211.08694	2.5
211.13416	0.4
212.09485	0.5
213.10307	0.5
225.06702	1.0
225.10310	4.1
226.10738	0.8
226.12459	1.4
233.07745	0.4
236.09444	0.5
239.08281	3.5
240.08890	1.0
241.13432	3.8
251.11855	0.6
253.09822	3.0
254.10585	8.1
269.12943	100.0
269.20709	1.9
269.24762	1.3
270.13278	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	267.16
Annotation	Helibisabonol A
Peak:m/z	Relative Intensity
57.03444	0.6
69.24045	0.4
69.24448	1.7
83.05019	0.3
85.02950	1.9
87.04510	3.3
97.06621	0.4
97.11663	0.3
99.04527	0.7
101.06076	0.7
108.02171	0.3
109.02969	0.4
111.00898	0.3
116.26484	0.2
121.06535	0.3
122.03737	100.0
123.04002	2.4
124.01595	0.4
124.05282	2.4
125.06065	0.4
134.03723	0.8
135.04535	0.9
136.05275	1.0
137.06087	0.6
148.05281	0.4
148.36580	0.3
149.06081	5.5
149.89423	0.2
150.06883	2.4
151.07648	7.9
152.07991	0.4
153.09204	2.6
158.81102	0.3
161.09732	1.0
162.06833	0.7
163.07629	1.0
163.11269	0.4
164.08415	1.1
165.09190	0.7
175.07690	0.3
176.08487	0.4
177.09166	0.7
178.09949	2.2
179.10773	7.4
180.11151	0.4
190.10011	0.6
191.10776	10.9
192.11104	0.6
193.08682	0.7
196.73502	0.3
205.08791	0.3
207.10358	0.3
221.11827	0.7
231.13860	0.9
249.14932	3.1
251.12883	1.2
252.13673	2.4
265.14407	6.8
266.14996	0.7
267.15991	83.0
268.16339	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	267.16
Annotation	Helibisabonol A
Peak:m/z	Relative Intensity
52.79747	0.5
57.03451	0.9
69.50197	3.5
71.01358	0.5
83.05021	0.6
85.02956	1.2
87.04505	3.5
101.06058	0.7
109.02953	0.7
109.06587	0.5
121.02920	0.4
121.06555	0.5
122.03738	100.0
123.03973	2.4
124.05341	2.4
134.03711	0.9
135.04482	1.0
136.05307	1.1
149.06065	5.4
150.06813	2.2
151.07645	7.4
151.24327	0.5
153.09174	2.5
159.08076	0.5
161.09686	1.0
163.07697	0.7
163.11351	0.5
164.08376	0.5
175.07527	0.4
176.08420	0.9
178.10040	2.2
179.10771	7.5
191.10768	10.7
193.08696	0.8
207.10344	0.6
221.11874	0.6
231.13890	1.0
249.15021	3.4
251.12833	1.4
252.13631	2.2
265.14450	7.0
267.15985	80.4
268.16354	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.16
Annotation	Helibisabonol A
Peak:m/z	Relative Intensity
53.77464	0.4
57.03438	1.0
59.01374	1.2
61.54206	0.4
66.36069	0.4
69.06869	0.3
71.01376	0.8
71.42936	0.4
71.52235	0.4
81.03471	0.4
83.05024	0.6
85.02959	2.6
87.04493	2.5
93.03446	0.4
95.05016	0.5
96.96004	3.7
97.02934	0.5
97.06593	0.4
97.95935	0.4
98.95590	13.5
98.96420	1.6
99.04504	0.8
101.06088	0.7
109.02959	0.5
122.03735	98.5
123.03980	2.3
124.05272	2.2
125.06098	0.7
127.54066	0.4
134.03720	0.8
135.04436	0.7
136.05278	1.2
137.02492	0.4
137.06053	0.6
149.06084	5.4
150.06866	2.0
151.07648	7.1
153.09192	3.3
161.09689	1.1
162.06825	1.0
163.07625	1.2
164.08386	0.9
165.05533	0.5
165.09119	0.9
176.08450	0.8
177.09286	0.6
178.09993	1.9
179.10770	6.6
180.11055	0.4
185.11789	1.5
191.10770	9.7
193.08672	0.7
203.14447	0.9
205.08684	0.6
205.12302	0.7
221.11778	0.5
221.15462	0.5
223.08093	0.6
223.13318	1.0
231.13901	0.8
249.14873	3.3
249.45453	0.4
251.12949	1.2
252.13672	2.4
265.14459	4.9
266.15002	0.7
267.07037	9.6
267.15985	100.0
268.07910	0.4
268.16345	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	268.9469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.5
71.01380	4.4
71.50952	1.1
72.99304	63.0
84.22421	0.6
87.00887	0.8
87.51389	0.7
89.00655	0.7
89.02438	1.7
93.03443	0.6
94.64807	0.7
96.95999	1.9
99.00880	0.7
112.64080	0.6
115.00361	10.1
118.46940	0.7
128.95937	2.0
137.02429	2.1
152.95949	57.9
153.96162	0.9
167.03831	1.1
170.96996	100.0
171.97342	1.0
198.36252	0.7
206.37541	0.6
268.94830	3.2
269.07092	1.2
269.21222	1.8
269.24799	1.5
290.29544	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97474	0.9
57.03443	6.0
59.01373	2.1
62.41369	1.0
65.29834	1.4
69.52780	4.3
69.53193	3.7
70.04576	1.2
71.01360	1.4
71.05020	2.5
79.05534	1.3
80.95184	1.2
83.05012	3.6
85.02944	2.3
87.04521	2.5
90.73196	1.3
91.82543	1.0
93.03506	1.7
95.05037	2.5
95.78567	1.2
96.96002	4.8
97.06583	3.5
99.04530	1.9
101.06120	2.8
107.05036	2.1
108.02157	5.9
109.02938	3.5
109.06576	1.5
111.04491	1.7
117.06985	1.3
121.02993	1.9
121.06593	4.2
122.03738	100.0
122.36565	1.2
123.04634	6.5
125.06066	2.6
134.03716	4.6
135.04520	4.0
135.08176	2.5
136.05273	4.5
137.06116	1.5
138.03180	1.9
144.05821	2.7
147.04498	2.7
147.08163	1.4
148.05273	2.6
149.06091	14.4
149.09738	3.1
150.06885	3.0
151.07637	23.2
153.09245	1.4
159.04567	1.5
159.08141	3.5
161.06065	3.9
161.09734	2.1
162.03242	1.2
162.06871	25.9
163.03922	1.1
163.07700	8.3
165.05598	1.6
171.08142	2.5
173.06090	1.1
174.40594	1.1
175.07610	2.1
176.08397	14.9
177.09207	84.8
178.09537	5.5
179.10748	4.3
188.08420	2.5
189.09238	24.5
191.07129	4.0
191.10614	1.7
203.10754	2.8
203.14345	1.6
205.12218	1.3
207.10248	1.9
214.09940	1.5
219.10266	2.3
221.11810	3.0
229.12331	4.6
237.11322	1.8
237.14940	1.3
247.13397	10.9
265.11298	3.5
265.14426	94.8
266.14847	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	265.2172
Annotation	(7S)-Hydroprene
Peak:m/z	Relative Intensity
59.01356	1.1
60.69557	0.4
68.99570	0.8
71.01389	0.5
77.68618	0.4
79.95718	0.7
91.11584	0.4
96.96008	28.6
101.35878	0.4
112.98548	1.2
129.77200	0.4
131.91637	0.5
135.04422	0.4
148.98622	0.5
149.06125	0.4
170.94815	0.5
176.08481	0.7
177.09186	0.5
198.68515	0.4
247.20755	0.5
254.69786	0.5
257.51517	0.4
265.14828	17.4
265.21701	100.0
266.15048	1.4
266.22052	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	267.0721
Annotation	2-O-(alpha-D-Glucopyranosyl)-D-glycerate
Peak:m/z	Relative Intensity
55.07383	3.9
57.03442	7.3
59.01380	68.2
60.01720	3.7
70.07608	10.1
71.01382	66.1
72.99305	14.0
73.02946	16.8
75.00871	20.5
79.44678	3.9
79.95713	6.6
80.96502	7.0
83.01418	4.8
85.02941	37.9
87.00878	100.0
88.04045	3.5
89.02451	39.2
95.01347	10.3
96.96008	45.4
99.00877	14.9
101.02480	22.1
101.03081	4.8
102.94373	8.9
113.02454	46.6
117.01936	11.4
119.03563	5.0
119.94755	4.2
129.01866	4.3
135.03123	11.8
135.05536	3.5
136.34886	3.7
142.97527	9.6
151.02603	14.1
154.97415	7.0
161.04530	10.3
168.95457	8.7
171.88245	3.6
180.93105	9.4
187.09724	10.3
191.05624	20.2
196.19449	3.3
201.15149	4.6
224.92136	5.0
267.01202	5.5
267.04776	8.4
267.07425	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0905
Annotation	moclobemide
Peak:m/z	Relative Intensity
53.77637	0.6
53.91582	0.5
69.41277	2.5
69.41703	1.9
79.95746	2.3
95.95248	0.8
96.96006	44.8
98.20580	1.4
100.00887	0.5
104.08537	0.5
105.17886	0.6
122.03764	1.2
139.11288	0.6
141.12845	14.7
178.15144	0.6
187.13379	69.6
188.13722	2.2
249.78377	0.5
267.09048	100.0
267.15643	1.8
268.09332	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1238
Annotation	G3
Peak:m/z	Relative Intensity
50.57698	0.4
52.82944	0.4
57.03441	1.0
59.01375	1.1
69.21404	3.2
69.21819	1.7
70.43821	0.5
71.01392	1.2
73.02976	0.5
84.02168	1.3
85.02956	0.9
87.04513	100.0
88.04839	0.9
96.96004	5.5
109.02917	0.9
109.47275	0.6
122.03738	4.0
125.09729	0.6
135.04454	0.6
137.02446	6.8
148.43539	0.6
149.06067	1.1
150.06404	1.5
157.06631	0.5
163.04010	1.0
164.04794	26.9
165.05183	1.0
167.33087	0.5
179.07112	7.3
179.08591	0.6
179.10707	1.0
180.07536	0.5
181.12347	1.1
205.15958	0.9
223.16901	0.7
249.14963	3.7
252.10025	41.5
253.10347	1.6
267.12390	42.6
267.15887	11.6
268.12689	2.0
268.15634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94228	0.4
54.86970	0.5
55.33524	0.5
57.03456	2.0
58.49805	0.5
59.01390	0.7
69.49467	2.9
96.35260	0.4
98.19897	0.8
99.66436	0.5
107.05068	0.6
122.03768	4.1
135.04547	2.7
136.05325	1.2
137.06110	0.7
139.07568	0.6
147.08194	0.6
148.05302	4.2
149.06108	3.0
151.07628	0.5
161.06084	8.2
162.06865	1.4
165.09137	0.5
173.09595	0.6
176.08424	100.0
177.08833	5.0
185.13316	1.3
189.09262	0.7
190.10020	1.6
191.10776	35.7
192.11122	1.6
203.14391	1.6
205.08720	2.3
213.09024	0.6
214.09975	0.7
229.12378	0.8
247.13289	1.3
249.44370	0.5
265.14429	17.5
266.14713	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1443
Annotation	CHEBI:70045
Peak:m/z	Relative Intensity
57.03454	1.9
59.01395	1.7
69.03455	1.5
70.84585	1.6
71.01366	1.5
71.05005	1.9
73.02952	1.5
79.05553	1.5
79.95735	1.1
80.96513	1.1
81.03439	1.1
83.05012	1.6
85.02943	1.1
93.07095	1.0
95.05016	2.6
96.96016	8.0
97.06569	5.4
99.04518	1.2
101.02470	0.8
107.05006	0.9
108.02163	13.3
109.02959	5.6
113.06155	1.2
115.07636	2.2
121.02972	1.1
121.06575	2.5
122.03735	59.2
123.04540	24.5
124.04854	0.8
125.06103	2.1
134.03745	18.1
135.04538	14.3
136.05362	3.7
137.02441	1.9
145.02968	1.2
147.37711	0.8
148.05270	7.4
149.06071	80.0
150.06660	5.3
151.04024	2.6
151.07674	5.6
159.04456	4.6
162.06876	6.6
163.03966	1.3
163.07590	3.3
164.08417	6.2
165.09201	13.5
173.06065	3.5
174.06850	1.7
175.07628	1.8
176.08382	3.4
177.05612	1.1
177.09186	4.8
178.06384	1.0
179.07141	2.2
185.06081	1.2
185.09891	1.6
185.11835	0.9
185.13290	3.9
188.08476	4.6
189.09175	2.9
191.10762	11.0
193.08687	43.4
194.09059	1.6
195.08113	1.2
199.07617	5.2
202.09882	1.1
203.10776	8.7
205.05003	1.7
211.11247	3.6
212.08447	1.4
213.09187	6.0
214.09972	10.8
217.12282	5.2
221.11790	15.1
225.09213	0.9
227.10747	5.1
229.12331	31.2
230.12683	1.5
247.13373	21.2
248.13741	1.5
265.07672	7.9
265.14410	100.0
266.14810	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	265.1445
Annotation	(+)-5(6)-Dihydro-6-hydroxyterrecyclic acid A
Peak:m/z	Relative Intensity
52.23511	2.1
53.59637	2.3
59.01370	7.1
65.56837	2.2
71.01387	5.0
71.52701	4.2
73.02943	4.2
78.40807	2.3
80.02678	39.6
81.03468	2.9
83.05027	4.3
85.02933	5.1
95.05032	5.8
96.96028	11.1
99.04521	3.3
99.08150	2.5
101.02464	3.7
109.06572	3.7
120.05775	3.1
121.06579	8.9
122.03731	13.5
123.04553	5.0
129.34494	2.2
134.03741	7.7
135.04379	2.8
137.06068	3.6
138.03246	14.4
139.07660	2.9
148.05328	4.9
149.06081	31.9
150.06421	12.3
151.07602	6.2
154.02655	3.2
160.58719	2.6
161.05885	3.0
162.06868	3.8
163.07637	2.6
165.05565	4.4
176.08405	11.4
177.09247	6.4
178.06412	2.6
189.09222	6.8
189.12851	100.0
190.09531	5.7
190.13094	5.4
191.10861	11.2
193.08667	2.7
203.14311	3.3
205.12312	4.3
207.10400	2.7
221.15463	40.9
233.11842	5.0
235.13104	2.7
237.14908	3.3
247.13347	8.5
247.64955	2.3
250.15779	11.4
265.11047	3.7
265.14343	60.8
265.18008	28.2
266.15158	18.7
273.95724	2.6
280.29587	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	265.1446
Annotation	Connatusin B
Peak:m/z	Relative Intensity
57.03445	10.5
59.01377	2.7
65.03956	5.5
69.03457	2.6
70.45260	4.0
71.01369	6.2
81.03461	13.5
81.39133	1.3
83.01385	1.9
83.05022	18.8
84.02147	1.9
85.02959	3.3
93.03446	11.6
95.05029	4.3
96.95978	3.4
97.06603	3.0
108.02174	2.5
109.02962	5.7
109.06608	2.7
110.03723	3.3
111.04519	43.8
121.02945	2.5
122.03755	10.2
123.04524	2.5
134.03752	7.3
135.04147	4.1
137.05992	1.9
138.03249	3.1
139.11264	4.8
148.05309	2.2
149.06091	16.6
150.06419	15.8
151.07651	2.2
155.10815	1.9
161.06146	1.9
162.06857	2.5
171.10269	4.5
172.20694	1.3
175.07628	1.6
175.14940	1.6
176.08488	8.2
177.09192	6.5
177.12845	6.4
181.12494	1.6
183.10207	1.5
189.09250	4.8
190.09503	6.5
191.10892	6.7
193.15953	8.7
203.14340	2.6
219.13905	5.1
221.11836	11.1
221.15358	9.5
229.12364	2.0
235.13112	3.1
237.14966	53.4
238.15222	2.8
247.13428	12.1
265.14404	100.0
266.15002	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	265.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95605	0.4
57.03456	1.0
59.01374	1.3
69.57156	3.0
71.01384	0.6
73.02965	1.1
83.05035	0.6
85.02957	1.3
95.05033	0.7
96.96024	1.2
97.06550	0.8
98.88778	0.5
99.04494	0.9
106.06585	0.6
107.05058	0.7
108.02167	0.9
109.02940	1.0
111.00900	0.6
121.06618	1.0
122.03740	20.7
123.04520	1.9
134.03746	3.5
135.04533	6.5
136.05324	4.4
137.06061	3.6
139.07645	0.7
148.05313	5.2
149.06073	11.5
150.06874	7.0
151.07652	13.4
154.02786	0.6
159.04500	1.4
159.08173	0.5
161.06065	9.7
161.09680	0.8
162.06914	3.4
163.07655	3.0
165.05579	1.9
165.09196	0.9
167.10730	0.7
173.06143	0.6
173.09673	0.8
174.06833	0.9
175.07622	1.3
176.08420	100.0
177.05612	0.6
177.09122	12.3
179.10799	0.6
188.08397	0.5
189.09216	4.0
190.09995	2.7
191.10773	58.6
192.11122	3.1
193.08636	1.5
195.10254	0.7
199.07603	1.4
205.05083	0.6
205.08681	3.8
207.10234	0.5
211.11261	0.7
213.09213	1.4
214.09973	1.0
217.12297	0.7
221.11865	0.5
227.10686	1.5
229.12315	4.3
235.07210	0.8
235.13368	1.1
247.13374	4.0
256.81815	0.4
265.07458	1.5
265.14423	28.3
266.10562	0.6
266.14883	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	265.1443
Annotation	[2S-(2alpha,4alpha,4aalpha,5alpha,8abeta)]-Decahydro-4,5-dihydroxy-4a-methyl-alpha,8-bis(methylene)-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
57.03447	15.5
59.01357	4.2
64.94929	2.9
65.96445	3.0
69.65586	7.2
69.66000	13.8
69.89201	3.2
71.01376	3.8
79.99015	3.0
80.21078	3.2
83.05014	6.0
85.02933	3.7
87.87948	3.4
93.03442	4.4
95.05002	5.9
96.96026	15.6
97.06614	16.0
105.07068	5.0
107.05054	4.1
107.18436	3.3
108.92507	3.1
109.02996	4.3
109.06545	3.2
111.04497	3.2
121.06586	5.0
122.03738	7.9
123.04523	3.2
123.08165	20.2
135.08141	10.2
137.02394	3.3
138.03241	31.0
147.08176	4.6
149.06052	7.3
151.07590	6.3
151.11288	4.0
161.13338	7.2
162.06902	4.3
165.05592	9.0
173.13312	3.9
176.08354	9.0
177.01772	3.3
177.09203	7.9
185.13359	19.9
189.09193	16.1
191.10776	4.5
191.14401	8.7
203.10818	4.8
203.14430	46.4
207.10223	10.7
221.15468	8.2
226.20972	3.5
247.13416	5.8
265.14468	100.0
266.14816	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
56.47566	0.3
57.03448	0.8
58.00575	0.4
59.01379	8.2
61.51879	0.3
61.98830	3.4
70.98780	0.8
71.01379	23.4
72.99305	0.9
73.02955	3.2
78.21372	0.4
79.95737	1.0
80.96522	1.0
83.01390	1.6
85.02953	5.2
85.57926	0.4
87.00338	0.7
87.00874	12.5
87.04510	2.0
89.02447	5.3
95.01393	0.6
96.96011	1.1
99.00890	1.8
101.02444	8.5
103.04015	0.5
103.07642	0.6
108.96141	0.4
111.00868	0.6
113.02457	3.9
119.03477	0.8
133.05066	100.0
134.05421	1.2
135.29916	0.4
159.03038	0.6
161.04556	3.6
176.08337	0.4
187.04277	0.4
241.99358	0.4
265.03821	0.9
265.07001	0.8
265.09720	2.9
265.12601	2.2
274.84393	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1079
Annotation	Papyracon D
Peak:m/z	Relative Intensity
51.27700	0.6
57.03456	7.7
59.01372	4.3
64.92803	0.7
65.03949	2.3
69.03443	1.6
69.85782	4.4
70.90798	0.7
71.01387	6.2
73.02931	5.8
76.83408	0.8
79.05538	3.5
81.03455	1.3
83.05014	1.5
85.02948	3.2
87.04514	12.4
91.05547	2.2
93.03458	2.4
93.07095	1.2
95.05000	2.0
97.02946	2.1
105.07130	3.8
106.04227	1.1
107.05005	3.1
107.08650	8.0
109.02917	1.1
109.06596	5.0
111.04541	1.9
117.07120	1.4
119.05022	1.7
119.08660	1.1
120.05867	1.4
121.06596	7.2
123.04518	7.2
123.08150	1.2
131.08606	1.2
133.06593	10.6
135.04558	1.1
135.08141	5.4
136.26738	0.8
137.06070	1.2
143.08646	1.3
145.06564	2.7
147.08151	12.0
149.06009	1.0
149.09715	39.7
150.10069	1.4
151.07611	1.6
157.06607	0.9
159.08131	1.4
159.11761	0.6
161.09720	7.6
163.07634	3.2
169.06633	0.9
170.07439	5.3
173.06070	1.0
173.09793	0.7
173.19576	0.9
175.07663	2.4
176.08446	1.3
176.13939	0.8
177.05576	1.5
177.09180	2.2
179.07166	1.2
179.10736	2.1
183.08101	0.8
185.09709	100.0
185.43175	0.7
186.10051	4.0
187.07652	1.0
188.08380	1.9
191.07153	11.9
191.10835	1.0
193.08693	13.8
203.10756	14.4
205.08676	1.3
221.11810	2.6
227.25378	0.7
229.08649	5.6
247.09737	23.1
247.12689	1.0
247.13438	1.2
248.10091	1.1
257.21204	0.7
265.10803	41.2
265.14374	11.5
266.11157	2.1
266.14355	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
59.01390	0.5
59.58823	0.3
73.02966	1.0
75.08477	0.4
85.02953	0.5
86.42979	0.4
92.25665	0.4
96.96045	0.9
98.19904	1.5
100.79774	0.5
107.05016	0.6
108.02179	0.7
109.02953	0.5
121.06589	0.5
122.03745	10.1
134.03706	2.3
135.04570	3.7
136.05289	2.4
137.06116	0.5
138.12529	0.4
148.05318	5.9
149.06085	6.9
150.06805	1.6
151.07666	1.3
159.04480	0.8
161.06082	8.9
161.09749	0.7
162.06914	2.2
163.07602	1.3
165.09172	0.5
173.09760	0.9
175.07628	0.7
176.08426	100.0
177.08940	5.0
179.10733	0.5
187.07648	0.5
189.09206	1.2
190.09988	2.9
191.10785	52.5
191.64973	0.4
192.11166	2.8
193.12306	0.5
195.10413	0.5
199.07585	0.7
205.08745	3.2
213.09149	0.4
214.10020	1.1
217.12201	0.5
227.10762	1.1
229.12297	2.6
237.45473	0.5
247.13342	1.7
265.14441	13.8
266.14786	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1443
Annotation	(+)-5(6)-Dihydro-6-hydroxyterrecyclic acid A
Peak:m/z	Relative Intensity
57.03431	0.8
69.45491	4.7
73.02934	3.5
79.95757	1.7
81.55537	0.9
82.77090	0.9
83.04970	1.0
85.02953	1.8
96.96000	21.7
97.06607	1.1
108.02164	2.4
109.02928	1.8
113.25780	0.9
121.06657	0.9
122.03731	20.3
123.04485	2.5
129.01936	2.0
134.03734	7.8
135.04486	3.3
136.05336	1.8
137.06062	1.8
139.07635	2.0
147.03009	0.8
148.05270	2.8
149.06073	30.1
150.06653	2.6
151.07599	3.3
151.11284	1.1
154.02736	0.9
157.06502	0.9
159.04494	3.1
161.06030	1.8
162.06860	7.7
163.07568	1.8
165.09277	0.9
173.06044	2.2
173.09618	1.1
174.06705	1.0
176.08418	8.6
177.09149	2.7
185.11786	10.7
185.13338	2.5
190.09851	4.9
191.10764	100.0
192.11090	4.6
196.46019	1.1
199.07608	3.5
205.08643	3.7
211.11252	1.8
212.08372	1.1
213.07420	0.8
213.09164	4.8
214.09987	7.1
217.12367	1.8
227.10736	2.6
229.12296	16.5
230.12531	0.8
235.13293	1.4
247.13379	7.7
248.73277	0.8
265.07523	21.0
265.14410	37.2
266.07642	1.3
266.14758	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	265.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97148	0.3
62.73969	0.3
69.20979	0.3
69.21756	2.7
71.01333	0.3
73.02956	0.7
74.65649	0.3
74.96160	0.3
77.71024	0.3
83.05017	0.4
97.02968	0.3
99.04524	0.5
108.02171	0.6
109.02930	0.6
116.90614	0.3
122.03743	9.9
123.04527	0.9
134.03729	2.3
135.04538	2.9
136.05301	2.7
137.06068	0.7
139.07664	0.4
148.05292	5.3
149.06079	8.8
150.06714	1.2
151.07646	1.7
159.04495	0.7
161.06078	8.0
161.09724	0.6
162.06880	2.2
163.07674	1.8
165.09140	0.8
173.06062	0.6
173.09705	0.9
175.07585	0.9
176.08424	100.0
177.08873	5.2
179.10817	0.4
185.13379	0.7
189.09235	0.8
190.09995	2.9
191.10779	57.5
192.11086	2.1
195.08430	0.4
195.10220	0.6
199.07542	0.7
205.08664	3.0
213.09174	1.1
214.09981	1.3
217.12326	0.5
220.21404	0.3
227.10754	1.1
229.12349	3.9
235.13470	0.4
247.13371	1.8
265.14441	16.3
266.15158	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01360	0.5
55.01883	1.1
57.03433	1.3
58.99608	3.4
59.01380	15.5
61.01175	1.1
61.98841	1.0
69.20885	4.7
71.01381	12.4
72.99274	0.6
73.02945	7.2
75.00877	0.6
79.95742	3.3
80.96516	3.1
81.90771	0.5
83.01395	1.9
85.02947	5.8
86.60957	0.5
87.00877	8.3
87.04499	1.9
87.19722	0.6
89.00663	2.1
89.02445	2.8
90.34145	0.5
95.01404	0.9
95.05000	0.7
96.96027	4.9
97.02962	0.5
99.00877	2.4
101.02446	11.1
102.98605	1.4
113.02456	4.9
117.03835	1.5
119.03518	1.1
120.99657	1.4
122.03753	1.3
125.02488	0.6
129.01888	0.6
133.03343	2.6
133.05081	2.2
135.04863	100.0
136.05176	2.3
138.03171	0.5
151.07611	0.5
159.02985	1.3
161.04572	5.1
176.08476	1.0
177.05737	1.0
177.09189	0.6
205.05357	5.3
223.06459	15.9
265.03955	2.3
265.07529	10.5
265.12958	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	265.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73928	0.3
52.93822	0.3
55.41447	0.4
57.75921	0.4
59.01381	5.3
68.99549	0.6
69.43021	2.4
69.43422	0.7
71.01381	16.4
72.70106	0.3
72.99316	1.3
73.02940	0.6
73.11729	0.3
79.95766	0.8
80.96542	0.4
81.36928	0.4
85.02949	2.4
87.00879	14.8
87.04499	2.1
88.64051	0.4
89.02447	4.7
92.42573	0.4
96.96014	3.9
99.00893	0.4
101.02438	1.7
103.04031	0.9
108.52511	0.4
112.98579	0.7
113.02473	1.0
119.03515	0.8
120.99698	0.5
132.03114	0.4
133.05070	100.0
134.05383	2.1
135.04872	4.5
143.07135	1.3
154.97502	0.6
159.47604	0.4
177.05898	1.7
191.05579	3.9
200.77083	0.4
223.06450	1.0
260.64172	0.4
265.03769	1.1
265.07083	1.2
265.09723	3.8
265.14560	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
69.45754	1.9
71.01376	0.4
76.64486	0.3
79.95718	3.3
79.96142	0.3
87.00838	0.3
88.16373	0.3
93.03453	0.5
95.95223	1.4
96.96008	100.0
97.06577	0.8
97.94817	0.7
98.95597	0.8
99.08153	5.4
105.35497	0.3
111.04497	0.3
122.03738	3.9
123.04506	0.3
133.06889	0.4
135.06490	0.9
139.11241	0.8
141.12868	0.6
149.06053	0.9
150.06895	1.7
151.07637	2.7
162.06839	1.3
163.07655	0.5
165.09154	0.3
167.10780	0.6
176.08444	0.8
177.09198	1.7
179.10693	0.5
183.10260	0.6
185.11818	17.5
186.12151	1.0
189.09131	0.4
191.10817	0.5
221.11812	0.5
247.13354	0.7
265.07492	52.1
265.14359	6.6
266.07892	2.2
266.15051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86776	0.4
69.58601	2.2
69.58994	0.7
72.94095	0.3
79.95721	5.2
95.95219	4.8
96.96008	75.6
98.19957	0.9
141.12819	1.1
185.11815	7.4
221.08507	10.8
247.06433	6.9
265.07492	100.0
266.07816	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	265.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13253	0.6
56.66769	0.5
58.00739	0.5
69.36852	1.5
69.37259	2.8
71.77372	0.5
79.95747	2.4
95.95221	4.5
96.96008	100.0
98.49447	0.5
139.11304	0.6
149.06041	0.5
151.07718	0.6
167.10773	1.0
185.11821	31.9
186.12152	1.8
265.07486	85.9
266.07819	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	263.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.2
59.01365	1.2
64.88692	0.4
69.88673	1.2
69.89086	0.9
72.30122	0.4
73.02914	0.4
76.86539	0.4
81.03465	0.7
82.98382	0.4
83.05012	1.4
95.05009	0.7
98.73868	0.4
107.05031	0.5
109.02922	0.8
109.06604	0.4
111.04533	0.5
119.94453	0.4
121.02982	0.4
121.06593	1.5
122.03739	1.6
123.04510	0.7
133.10234	0.4
134.03738	7.0
135.04527	11.1
135.08240	0.4
136.05322	1.7
136.89276	0.4
137.06076	1.2
144.81757	0.4
145.06625	0.4
148.05315	8.3
149.06084	41.1
150.06877	12.4
151.07205	0.5
159.04489	0.9
160.05383	0.5
161.05972	0.7
161.09695	0.9
162.06857	1.2
163.03951	0.5
163.07631	5.8
164.04750	0.7
165.05698	0.8
171.08194	0.5
174.06889	1.8
175.07643	0.8
177.05545	0.6
177.09186	1.5
187.07649	0.6
189.09200	4.3
201.09251	0.5
201.12830	0.5
205.08682	0.5
213.12833	0.6
219.13852	1.5
230.13060	1.2
233.11763	1.0
234.12523	0.6
235.13411	1.5
245.11859	0.9
248.14165	100.0
249.14478	5.9
251.08073	0.4
263.12875	13.0
263.16507	15.3
263.19977	1.5
264.13550	5.1
264.16696	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13605	0.5
55.89390	0.4
57.03423	0.4
59.01381	1.0
64.45306	0.4
69.23337	3.7
71.01381	0.7
75.78933	0.3
83.05029	0.8
85.02953	0.8
93.36048	0.4
97.02924	0.5
98.20715	0.8
99.66780	0.4
107.05040	1.2
109.02947	1.0
111.00890	0.5
111.04515	0.7
121.02946	0.5
121.06568	1.9
122.03737	1.6
123.04527	0.7
125.06059	0.9
129.14005	0.5
133.06522	0.7
134.03737	16.1
135.04517	4.6
136.05334	2.1
137.02376	0.5
137.06029	1.2
138.03188	0.7
147.04556	0.5
148.05305	2.8
148.69052	0.4
149.06073	93.0
150.06412	3.1
150.93225	0.4
157.06569	0.7
159.04454	1.0
160.05264	1.5
161.06065	2.1
161.28352	0.5
162.06860	1.9
163.04005	0.9
163.07620	0.7
164.04808	1.9
165.05586	1.0
168.04338	0.7
171.08183	0.5
173.06116	0.5
174.06874	2.6
175.07652	4.9
176.08214	0.7
177.09186	1.4
184.41331	0.4
189.09207	8.5
190.09993	12.0
205.08620	0.9
205.12242	2.1
219.13722	0.6
219.24754	0.5
230.13063	0.9
233.11794	2.3
235.13367	1.8
237.32997	0.5
245.11806	0.8
248.14153	100.0
249.14445	5.9
263.09848	0.7
263.12872	14.9
263.16492	12.4
264.13504	3.7
264.16449	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1289
Annotation	gamma-Perezol
Peak:m/z	Relative Intensity
57.03443	1.0
58.44434	0.7
59.01369	1.5
60.48948	0.7
69.78155	2.8
69.78571	1.7
72.08019	0.7
73.02917	0.8
83.05021	14.9
84.29620	0.8
85.02910	0.9
88.15427	0.7
93.03439	0.9
95.05049	1.4
107.05036	1.1
108.02178	1.2
109.02948	1.3
109.06606	1.7
119.05002	0.9
121.06621	2.3
122.03759	6.5
123.04479	1.5
134.03741	9.8
135.04549	8.0
135.08170	3.1
136.05299	29.9
137.06134	3.6
138.03261	1.0
145.02943	1.9
146.03751	0.9
147.04536	1.3
148.05301	5.9
149.06084	40.5
149.09676	0.8
150.06584	0.9
151.07594	1.0
159.04494	6.8
159.08105	0.8
159.13667	0.7
160.05263	3.8
161.06081	5.4
162.06862	8.8
163.03880	1.0
163.07614	4.9
164.04800	4.1
165.05579	1.6
168.04280	3.5
171.08151	4.9
172.05312	1.1
173.06062	3.4
174.06857	17.4
175.07578	3.4
176.08385	3.1
177.05589	0.9
177.09201	13.8
186.06857	0.8
187.07697	1.3
187.11182	0.9
188.08366	1.5
189.09218	23.1
190.09735	0.8
191.10783	1.0
201.09192	0.8
203.07182	1.4
205.08777	1.7
215.07300	1.0
215.10728	2.7
217.12256	2.7
218.09444	1.1
223.04388	0.8
227.10747	1.4
232.11014	1.2
233.11783	4.4
235.13400	15.6
245.11809	2.6
248.14165	2.5
263.12869	100.0
264.13385	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	263.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13817	0.4
58.89644	0.4
58.99601	4.0
59.01379	6.0
60.65226	0.4
71.52047	0.6
87.00882	4.2
87.02758	2.5
95.95248	1.7
96.96011	3.0
115.05936	0.6
131.05371	1.8
133.06929	100.0
134.07283	2.0
134.84439	0.5
135.04520	0.6
138.34468	0.5
149.06137	0.9
175.03984	1.2
175.07755	0.5
196.54126	0.4
203.07478	6.2
219.05000	0.5
219.07100	0.5
221.08511	14.8
263.06021	2.4
263.09875	2.5
263.12537	2.7
264.13480	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1287
Annotation	Zedoarofuran
Peak:m/z	Relative Intensity
57.03450	12.4
59.01376	1.9
59.31071	1.0
68.55228	0.7
68.99819	1.1
70.73454	1.1
70.73799	2.2
84.45256	0.9
90.93750	0.9
91.05540	1.4
93.03444	1.1
95.05015	1.1
107.05044	1.5
115.05544	1.8
117.03446	2.4
117.07098	0.9
122.03745	1.1
129.07091	1.8
130.04205	1.5
131.04982	1.0
133.06621	1.7
135.04501	1.3
136.05316	16.1
137.05981	1.6
141.07059	2.0
143.05016	12.3
143.08667	1.5
144.05635	1.0
145.06575	1.9
149.06085	2.2
152.06377	1.4
153.07109	1.7
155.05074	1.0
156.05814	6.2
157.06586	6.4
159.08145	7.5
161.06070	1.0
162.06851	3.9
163.03970	1.3
164.04803	4.4
167.08675	4.4
168.04263	1.7
168.05847	1.0
169.06602	5.5
169.10220	3.0
170.07358	9.1
171.04506	2.5
171.08156	23.7
173.06062	4.6
173.09692	2.9
175.07632	1.3
177.09189	6.9
180.05801	7.1
183.08136	10.0
184.05255	1.3
185.06104	5.8
185.09692	8.2
186.06819	4.1
187.07637	3.1
188.08459	1.1
189.09229	1.8
193.06509	1.0
194.07260	2.1
195.08141	39.9
196.08434	2.6
197.06075	2.8
198.06842	21.4
199.07486	1.7
201.09206	18.6
202.09627	1.3
205.08580	0.9
211.07587	3.4
212.08406	4.8
213.09203	100.0
214.09534	6.3
215.10733	5.7
217.12325	1.1
227.10759	3.3
229.08594	1.0
231.10255	19.1
232.10596	1.0
233.11740	1.5
235.13376	10.3
245.11792	32.1
246.12436	1.3
263.12860	75.8
264.13226	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	263.1287
Annotation	Merulanic acid
Peak:m/z	Relative Intensity
50.13203	2.4
55.01870	5.4
57.03448	36.4
59.01379	41.0
60.91603	2.5
69.03445	19.8
71.01387	8.0
71.05006	7.5
73.02946	8.2
79.01895	3.5
79.05536	8.3
80.16747	2.2
81.03451	34.2
83.05020	29.2
84.02166	100.0
85.02950	51.0
91.05536	4.3
93.03469	7.6
95.01395	5.8
95.05024	15.1
96.96009	2.4
97.02969	24.0
97.06596	4.8
99.04513	64.4
103.67404	2.9
105.07101	5.7
107.05038	7.6
107.08654	5.5
109.02936	12.5
109.06575	28.2
110.03767	4.5
111.04520	20.8
119.05006	4.5
119.08659	5.4
121.06593	16.8
121.10223	14.4
122.03738	4.6
123.04533	9.8
123.08176	6.3
124.05235	3.3
125.02437	6.7
125.06080	10.5
131.08670	7.5
133.06577	5.7
133.10217	3.9
135.04544	2.7
135.08168	6.1
137.06076	22.4
137.09608	2.7
139.03999	4.8
139.07684	6.1
142.57300	2.5
145.10254	5.8
147.04497	7.3
147.08154	6.1
147.14597	2.7
149.06084	20.4
149.09692	6.1
151.07652	11.8
159.08151	8.4
160.41269	2.8
161.06087	15.7
161.09723	4.8
163.07639	5.2
163.11263	4.3
164.04602	3.3
164.08424	2.7
165.05608	3.2
167.07109	6.6
171.08182	2.9
171.11754	4.2
173.09712	10.2
175.07584	2.4
175.11276	8.9
177.09149	8.0
179.07115	7.3
179.10721	3.2
183.08060	4.0
183.11761	9.3
185.09468	2.6
189.05551	4.1
189.09213	5.2
189.12839	13.9
191.07123	3.1
191.10738	4.9
191.14388	7.3
193.68752	2.7
199.11153	6.4
201.09267	15.6
201.12859	58.1
217.12384	2.7
219.10315	27.4
219.13815	24.9
221.08136	3.2
245.08234	3.3
245.11729	6.2
263.09238	39.3
263.12854	70.0
264.09494	4.3
264.12967	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	263.0923
Annotation	Fuscinarin
Peak:m/z	Relative Intensity
57.03025	1.6
57.03448	18.8
59.01379	13.9
63.12621	1.8
63.28477	1.7
65.03943	2.2
69.03461	4.5
69.53759	3.5
69.54171	6.4
71.01383	15.9
72.99305	32.0
79.05519	3.0
81.03424	1.8
83.01374	1.8
83.05032	6.6
83.19846	1.5
85.02959	6.6
91.05560	1.7
93.02142	1.5
93.03452	7.0
95.01376	3.0
95.05029	6.6
96.96023	2.1
98.19807	2.4
99.04556	2.0
103.05532	16.5
105.07097	7.6
107.05047	3.4
108.02178	2.1
109.03002	2.1
111.04504	4.4
113.02451	31.3
114.02743	1.7
119.05041	2.6
120.05782	2.0
121.02985	3.3
121.06586	6.1
122.03712	7.7
123.04541	7.5
131.08649	2.3
133.06599	21.9
134.03769	1.5
135.04510	4.3
135.08147	3.1
137.02420	4.2
137.06021	1.5
139.03987	1.6
141.07162	1.6
143.05020	5.3
145.06648	1.6
147.04488	2.2
147.08167	6.6
147.32300	1.4
148.05302	2.1
149.06038	8.5
149.09654	4.0
151.03966	6.0
155.08653	2.7
157.06564	5.5
157.10229	3.5
159.08144	25.3
161.06073	80.2
161.09666	2.1
162.06456	2.1
165.05569	2.7
171.08173	2.3
172.05247	2.3
173.09718	4.7
173.72621	1.8
175.07654	6.5
177.05598	4.2
177.09200	12.6
177.69023	1.4
183.08154	4.8
185.05960	1.8
186.06856	8.4
187.96692	1.6
189.09177	3.5
191.10681	2.1
196.65105	1.6
199.07677	3.3
201.09209	100.0
202.09599	6.0
203.07158	7.5
219.10254	33.4
219.13617	2.3
220.10712	2.6
231.10245	1.7
245.08197	18.3
245.11917	3.0
263.09225	57.6
263.12836	17.6
264.09586	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	263.023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.8
63.52622	0.5
70.68631	1.5
71.01367	0.9
73.02974	0.6
76.85421	0.5
79.95741	20.1
80.96522	9.3
85.02958	0.7
87.51666	0.5
89.02444	1.4
96.96022	3.8
106.94210	0.5
113.73135	0.5
123.13550	0.5
131.07103	0.6
137.02457	1.7
138.03230	49.5
139.03540	0.9
149.04572	1.0
153.05580	18.6
164.42787	0.5
168.04277	72.7
169.04630	2.2
170.02197	1.5
175.08009	0.5
183.06619	100.0
184.06950	3.6
263.02295	79.1
263.15027	1.0
264.02618	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	263.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
59.65289	0.3
59.77656	0.3
69.03477	0.3
71.28645	0.4
73.56641	0.3
79.95729	11.4
80.96512	0.9
95.95228	8.6
95.95818	0.6
96.96005	100.0
97.95886	0.3
128.20972	0.3
133.06950	2.4
134.03708	0.3
135.04488	0.3
139.11272	1.2
149.06059	0.8
151.00648	1.6
151.82390	0.3
164.01439	0.6
165.09164	0.3
176.08395	0.4
183.10225	1.0
189.09137	0.3
219.06926	6.0
245.04892	0.6
263.05911	52.9
263.12961	1.2
264.06342	1.7
264.13666	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93599	0.3
57.11122	0.3
69.58676	2.6
70.92722	0.3
79.95718	2.9
80.96482	0.5
92.15218	0.4
95.95229	91.0
96.96009	49.3
96.96684	0.4
108.80362	0.4
135.67226	0.5
136.49913	0.4
141.47939	0.4
163.00734	0.4
164.01495	6.6
183.10240	4.1
196.00429	0.5
219.06970	5.5
245.04814	1.1
263.05923	100.0
264.06180	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	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06297	1.0
59.01378	100.0
71.01347	1.2
98.19951	3.0
109.17337	1.0
109.28614	0.9
122.82945	1.0
149.06029	1.1
158.21991	1.2
186.06882	1.4
201.09244	2.0
201.12843	1.2
219.10249	1.4
263.12888	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	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.9
57.40433	1.7
58.13616	1.6
59.01381	100.0
67.51936	1.6
68.69024	1.5
69.03468	2.5
69.36312	13.0
69.48421	1.6
71.01409	3.3
73.02929	2.4
81.49194	1.6
95.05013	2.1
97.02966	3.7
98.20669	3.3
104.43920	1.7
105.07079	1.6
109.02942	3.1
109.06597	6.8
111.04510	2.5
113.64294	1.4
121.06605	4.6
123.04600	3.2
125.02443	3.5
133.06566	1.9
137.06102	6.4
139.03999	3.4
147.04596	1.9
147.08174	5.6
149.06093	11.2
159.08194	3.5
161.06088	3.7
163.52560	1.6
167.07022	2.1
175.04065	1.6
179.07179	2.3
189.05589	4.2
191.07150	5.6
201.09169	10.3
219.10252	8.0
245.08130	2.5
263.09238	13.4
263.12836	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	263.0924
Annotation	Fuscinarin
Peak:m/z	Relative Intensity
50.07951	0.9
51.08517	0.7
52.23019	0.7
53.96050	0.7
57.03445	8.6
59.01384	2.2
65.03961	2.8
67.01881	1.1
69.03463	3.2
71.01385	2.4
71.05036	1.7
71.52784	1.4
72.99307	0.9
73.02959	1.3
75.92207	0.8
79.05516	2.4
81.03465	1.7
83.01389	1.0
83.05025	2.0
84.02162	0.8
85.02953	2.4
89.58885	0.7
93.03477	2.1
93.07110	1.0
95.01398	3.8
95.05022	3.3
96.96011	4.0
97.02937	6.0
99.04502	1.6
103.05528	5.2
105.07110	2.9
106.04253	3.3
107.05038	3.6
108.02177	1.7
109.02950	14.5
109.06598	3.9
111.04514	2.8
119.05016	7.5
121.02936	7.7
121.06593	42.6
122.06918	1.7
123.04535	11.9
124.01614	1.0
125.06082	4.2
130.04247	1.0
131.05005	6.5
131.08679	1.3
133.02946	2.3
133.06584	3.8
134.03763	1.6
135.04561	1.3
135.08197	1.2
137.02423	5.9
137.06053	2.1
138.03230	27.3
139.04028	5.1
143.05008	1.6
145.06581	3.6
147.04521	5.2
147.08139	8.8
148.05283	1.9
149.06075	100.0
149.09703	2.3
150.06436	3.5
151.04036	5.6
157.06577	1.3
157.10239	1.0
159.08141	9.4
161.06104	6.5
162.06857	0.9
163.07629	2.8
173.09718	1.7
175.03976	2.2
175.07581	3.7
175.11279	4.1
176.08452	1.5
177.05550	2.2
177.09189	13.9
183.08176	3.1
185.06087	1.8
186.06883	4.2
186.08240	0.8
189.05502	3.9
191.07150	7.6
191.10797	1.5
201.09201	41.5
202.09521	1.3
203.07008	1.0
204.07910	2.3
213.09212	2.5
219.10252	50.5
219.13670	2.0
220.10532	2.1
227.07190	1.3
245.08150	4.7
245.11646	1.5
263.06229	2.0
263.09241	33.3
263.12836	9.5
263.15710	1.2
264.09619	2.3
280.06888	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.2
57.03450	42.2
59.01365	5.7
65.03963	2.5
69.03455	11.3
71.05023	4.3
71.52419	2.5
73.02943	2.3
77.75996	2.1
79.05527	9.7
80.02678	6.1
81.03451	2.0
83.05019	3.1
85.02937	7.9
93.03465	5.1
95.05025	76.0
97.02953	2.1
97.06614	2.6
105.07072	9.7
107.05013	12.9
108.02131	4.2
109.02911	3.3
109.06590	40.5
119.05000	5.2
119.08633	3.7
120.49197	1.8
121.02879	2.3
121.06591	33.1
123.04543	19.3
123.08171	11.6
129.07089	2.9
131.05017	3.0
131.08725	3.1
133.06618	3.5
135.08163	11.7
136.05336	2.3
137.06082	3.6
144.05833	2.5
145.06630	4.2
147.04553	2.1
147.08147	27.5
149.06039	5.7
153.05591	4.1
155.08630	3.8
157.06589	3.9
157.10168	4.6
159.04501	3.4
159.08154	16.6
160.08807	2.2
161.06033	2.4
161.09737	2.6
165.05547	7.5
167.07050	3.1
171.08139	14.0
171.11797	2.0
173.06039	5.0
173.09726	10.9
173.13359	5.4
174.06842	2.8
175.07608	7.2
175.11263	39.0
176.11600	3.1
181.10184	4.7
183.08115	6.7
184.08904	8.3
187.07622	9.1
187.09810	2.0
188.08449	2.5
189.09190	3.1
189.12900	2.3
191.07109	2.9
197.09784	2.8
199.07628	4.2
199.11279	58.7
200.11555	5.1
201.09206	2.9
202.06429	2.3
202.09967	9.4
215.10677	3.7
217.05069	2.1
217.08708	5.5
217.12318	57.4
218.12538	3.5
225.09154	2.1
243.10240	14.0
247.88506	2.3
261.11298	100.0
261.18463	2.4
261.22244	4.1
262.11517	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	261.113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.0
57.03455	16.2
57.96664	1.1
59.01363	1.4
67.01889	1.5
69.03436	1.3
69.47890	8.8
79.05531	7.6
83.05036	2.2
85.99622	1.2
93.03487	1.4
95.05041	1.3
97.02962	1.6
98.20665	2.2
107.05013	4.4
109.06564	4.2
110.87955	1.1
110.88838	1.1
111.04557	2.1
117.03455	1.2
117.07121	1.3
119.05012	2.4
119.08659	1.4
121.06599	27.8
123.04471	1.3
123.08165	1.7
125.06119	1.4
131.04955	1.4
133.06570	2.0
134.03850	1.3
135.04533	1.5
135.08116	1.4
136.05299	2.9
137.06065	2.5
145.06529	1.2
147.08163	16.3
149.06064	4.8
149.09715	1.2
151.07692	2.0
153.05545	1.1
157.10196	2.2
158.07379	2.4
159.08162	9.5
161.06061	1.7
161.09665	1.9
162.06981	1.6
163.07632	4.2
164.04823	1.6
165.05545	1.3
170.07436	1.2
171.08168	14.6
171.11841	1.3
173.06030	2.7
173.09752	6.4
175.07690	1.8
175.11282	31.2
176.11617	2.1
181.10281	6.3
181.40210	1.1
183.08160	3.3
184.08908	6.0
185.06120	1.9
187.07613	3.6
189.05620	1.3
189.09225	2.2
190.06274	1.5
197.09744	1.3
199.11278	100.0
200.11603	5.5
201.09230	10.7
202.09923	2.2
203.07170	1.5
213.90556	1.3
215.10843	2.0
217.12321	72.2
218.12622	3.8
225.09164	3.9
236.94006	1.2
242.02658	1.0
243.10246	44.6
244.10565	3.9
261.11307	51.0
261.14795	3.5
261.18805	1.2
261.22275	2.6
262.11624	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	261.1341
Annotation	(Z)-3-Hexenyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.38711	1.8
55.01876	10.6
56.13846	1.8
57.03439	7.5
58.00576	3.3
59.01379	71.6
62.06226	1.5
69.03503	2.0
71.01381	93.4
72.99306	5.5
73.02940	36.9
75.00864	2.1
79.31168	1.8
79.72011	1.6
83.00906	2.7
83.01380	19.8
85.02941	54.1
85.03461	2.8
87.00857	4.5
89.02425	7.9
95.01386	6.9
96.67440	1.7
96.76768	1.8
96.96021	12.2
97.02961	3.0
98.20684	3.3
99.00880	16.4
99.08160	4.3
101.02444	100.0
111.00896	2.3
112.22453	1.7
113.02454	39.8
117.03492	3.5
125.02487	3.0
143.03499	4.8
159.02989	5.7
161.04562	39.7
174.03214	6.4
181.05066	21.8
181.08784	2.0
182.05418	1.9
199.13390	2.2
201.11298	16.4
202.02707	3.1
217.05061	8.2
225.11197	3.4
243.12422	2.5
261.00613	3.1
261.04205	6.2
261.13406	50.5
261.22119	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	261.1493
Annotation	Cordiaquinol J
Peak:m/z	Relative Intensity
56.55666	0.5
57.03447	3.7
59.01377	1.7
61.66619	0.4
61.98833	0.5
64.08883	0.4
64.62975	0.5
69.03458	1.0
71.01366	0.5
71.53831	0.8
79.05537	0.8
81.03451	1.2
83.05020	1.0
87.04560	0.5
87.72342	0.4
93.03477	0.7
95.05025	1.1
97.02941	1.0
107.05035	1.1
109.02934	0.9
109.06612	0.7
111.04524	1.0
111.72018	0.4
113.02423	0.6
119.08652	1.4
121.06583	4.0
122.03733	0.9
123.04533	1.2
123.08142	0.5
125.09692	0.6
129.07129	0.6
130.33197	0.6
133.02893	0.6
133.06599	4.3
135.04504	1.8
135.08145	0.9
136.05260	0.7
137.06041	0.7
145.06564	0.6
147.08159	4.8
149.06013	2.3
151.07663	0.6
159.04474	0.5
159.08099	2.4
159.11812	0.6
161.06065	9.8
161.09714	0.7
162.06853	2.0
163.07697	3.8
164.04826	0.9
165.05533	1.0
171.08151	2.0
173.06027	0.9
173.09685	1.5
175.07619	3.0
175.11290	6.5
176.11606	0.8
181.10155	0.9
183.08243	0.6
185.06100	0.9
187.07692	4.2
187.09398	0.8
188.08356	0.8
189.05609	0.7
189.09204	1.6
194.05832	5.5
197.09706	0.6
199.11267	12.4
200.11684	0.8
201.09171	2.2
201.10905	0.5
202.09920	0.6
203.07135	1.4
203.10779	16.7
204.11031	0.8
217.08847	0.8
217.12320	13.0
218.12566	0.8
219.10275	1.1
243.10284	4.4
243.13858	1.4
261.11429	9.7
261.14935	100.0
261.22260	2.1
262.11810	1.4
262.15286	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	261.0437
Annotation	CLONIXIN
Peak:m/z	Relative Intensity
59.01358	0.5
69.26359	4.1
79.95733	10.7
80.91664	1.1
80.96526	1.7
83.05033	1.6
87.91139	0.4
95.95235	13.3
96.96011	100.0
161.04689	0.5
163.00710	32.9
164.01028	0.8
181.08707	9.9
190.77487	0.4
217.05376	8.1
242.94910	0.6
243.03384	2.6
261.04358	96.9
262.04694	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	261.088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69104	1.2
54.51389	1.3
54.57264	1.4
57.03436	2.9
57.39500	1.2
57.87860	1.5
58.02974	21.4
59.00072	1.4
59.01377	29.0
59.75858	1.4
70.02976	8.6
71.01386	2.9
71.51015	2.6
72.04537	4.2
72.99274	7.2
73.02956	1.5
74.02473	100.0
79.95728	2.8
84.04551	11.1
85.02949	1.5
86.02473	4.2
87.00861	4.5
87.04517	6.4
87.92544	5.6
92.05063	7.2
93.03449	5.7
94.31394	1.4
96.96007	4.6
97.06577	2.4
98.02478	31.7
103.92040	6.2
104.92799	1.7
110.02463	1.9
112.98763	1.4
116.03531	51.0
116.75045	1.3
117.01894	1.4
118.02969	2.7
118.06632	2.6
119.05035	13.9
128.03535	30.6
129.05557	5.5
130.06607	4.7
131.03770	50.2
131.05351	4.8
132.04562	67.9
133.01465	1.9
133.04967	2.2
134.91580	2.0
135.04514	10.1
136.84912	1.2
136.98827	1.9
137.06035	1.4
140.05040	3.0
142.99907	2.8
143.10689	1.3
144.04570	17.9
145.96693	2.8
146.04544	1.6
146.06099	5.6
149.04527	2.9
157.07710	26.8
158.06105	38.2
159.06505	1.7
160.04019	2.2
163.04013	7.9
174.05646	3.1
175.08775	28.1
179.03456	4.6
181.05086	21.1
189.06671	3.3
191.05661	1.4
199.00734	2.4
199.08748	4.5
199.94064	3.7
201.06699	14.2
201.11311	22.8
202.05063	5.4
217.09805	7.3
219.07736	28.2
219.12358	37.5
220.12560	2.3
243.07719	4.4
260.98193	1.8
261.00763	19.1
261.08771	85.1
261.12949	8.0
262.08997	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	261.1131
Annotation	Daldinin B
Peak:m/z	Relative Intensity
50.89679	2.3
57.03453	3.1
69.03448	2.6
70.75343	5.3
71.05016	8.5
73.79790	2.3
83.66702	2.2
91.05508	3.3
93.03421	2.7
107.05055	3.0
109.02948	11.8
117.07083	2.5
119.04994	3.1
121.02924	3.5
121.06596	3.5
125.09690	2.6
129.07088	3.4
131.08649	6.9
133.06583	6.5
135.04527	4.2
135.08110	3.0
137.06104	6.3
147.04559	5.0
147.08165	6.9
149.06104	7.3
149.09651	3.9
157.06548	11.4
159.04523	7.4
159.08159	5.2
160.05321	5.6
161.06059	7.5
162.06847	7.0
164.04790	8.5
165.05592	4.5
173.06056	6.7
175.04085	2.7
175.07663	23.8
175.11195	4.3
185.05989	12.4
188.04750	9.6
189.05540	10.6
190.06392	3.3
199.07661	8.9
199.11235	12.2
200.08342	3.5
201.05539	3.5
201.09247	4.0
202.06514	4.0
203.07104	34.6
215.10760	11.5
217.08801	4.8
217.12332	6.1
219.10239	3.7
225.09146	2.8
227.07202	4.3
228.07826	7.3
233.11777	12.2
235.17058	2.8
243.10292	26.8
246.08968	6.2
261.11304	100.0
261.14456	4.8
261.18646	4.9
261.22159	7.8
262.11713	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	259.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	10.8
58.25407	0.8
59.01365	1.9
69.78455	4.2
71.01392	7.1
71.05009	1.3
72.02169	10.2
73.02935	2.8
75.51725	0.9
76.74355	0.8
80.48556	0.8
85.02951	8.0
86.03722	1.0
87.04512	100.0
88.04863	1.4
90.94951	0.8
94.75494	1.1
96.95997	1.6
101.06064	1.5
109.06552	1.5
111.08167	3.2
125.09727	2.0
135.04488	1.7
137.09702	3.5
139.07605	2.2
153.12830	5.5
155.10785	14.9
166.44597	1.0
169.12323	9.6
171.13925	1.7
177.01923	3.0
179.03545	1.9
179.07159	1.7
197.11824	15.8
198.12115	1.4
215.12866	43.1
216.13225	1.9
217.10907	1.4
241.10802	9.7
259.11838	88.2
260.12109	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	10.7
59.01364	2.6
66.44771	1.1
69.72143	1.7
69.72560	4.0
71.01383	6.5
71.05017	2.5
72.02168	10.6
73.02943	3.7
85.02959	8.2
87.04516	100.0
88.04884	1.8
100.19756	1.0
101.06040	2.2
111.08163	2.5
125.09716	1.7
134.90033	1.1
135.04494	1.2
135.11829	1.4
137.09717	3.1
139.07620	1.8
146.03729	1.0
153.12813	6.1
155.10770	16.4
155.11913	1.5
164.04715	1.3
169.12344	8.7
171.13963	1.9
179.07121	2.9
197.11807	20.2
198.12192	1.3
215.12871	39.7
216.13315	1.6
241.10783	10.2
259.02676	1.8
259.11853	94.0
260.12234	5.3
269.01132	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0073
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
53.89577	0.7
57.03450	0.8
59.01371	2.8
61.48582	0.8
70.78744	1.8
72.80755	0.6
72.99303	15.3
73.02964	1.0
74.02475	7.2
75.00883	2.3
79.95732	8.8
80.96520	1.4
81.03482	2.2
82.89295	0.6
83.22099	0.6
87.00878	1.6
87.04539	0.7
93.03463	24.2
96.96010	3.2
97.06640	0.8
98.02487	2.4
99.04517	1.5
107.05003	3.2
112.98819	1.6
114.78952	0.8
116.03493	4.0
119.05027	46.6
120.05379	1.0
128.03542	2.2
129.05563	1.3
131.03770	2.4
132.04552	3.3
134.03740	1.6
135.04526	32.3
136.04900	0.8
137.06041	1.3
137.47626	0.6
141.68758	0.7
144.04553	1.3
157.07677	1.1
158.06128	1.6
163.04008	36.2
164.04369	1.8
164.07176	0.7
174.70755	0.6
175.08740	1.0
179.03497	1.1
181.05063	90.8
182.05389	3.0
191.03598	0.7
192.47087	0.8
193.43578	0.6
197.90247	1.6
199.00674	15.0
201.06668	1.0
215.00172	6.9
219.07712	0.8
219.12480	0.9
242.99677	0.6
243.12453	1.1
261.00717	100.0
261.08572	4.4
261.13272	1.5
262.00916	2.7
280.37607	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
57.03448	19.6
59.01372	1.2
63.02376	0.8
65.03975	1.2
69.03449	2.1
69.84522	3.5
71.01373	0.9
79.05536	1.5
79.95739	3.4
83.05009	0.9
91.05547	1.3
95.05054	1.2
97.02954	2.8
103.55967	0.7
105.03497	0.7
107.05016	1.3
109.02956	2.1
117.07098	3.4
119.05018	1.3
119.08633	1.7
121.06598	1.8
122.03698	1.0
122.06741	0.6
123.04546	2.0
130.04291	1.0
131.04985	1.3
133.02959	0.8
133.06577	2.6
135.04507	4.6
135.28020	0.7
143.05051	1.0
145.06580	3.8
147.04576	1.0
147.08157	0.9
149.02493	1.0
149.06120	1.4
155.08685	1.3
157.06589	15.1
158.07387	5.3
159.04488	1.7
159.08107	1.0
160.05304	1.3
161.06062	5.3
163.07620	1.7
164.04776	10.2
167.05063	1.7
169.06677	0.7
169.10246	1.4
171.08215	5.7
172.05220	1.1
172.08948	1.8
173.06047	2.5
173.09698	19.4
175.03981	2.4
175.07646	1.9
177.05568	0.8
179.07117	5.7
181.06596	2.6
182.07358	4.5
184.05330	0.9
185.06076	2.5
185.09669	1.4
186.06837	0.8
187.07671	2.0
187.11238	2.3
189.05536	2.1
189.09210	1.7
195.08228	1.9
197.09715	34.1
198.06851	1.2
198.10022	2.0
199.07616	4.1
200.08386	4.3
201.05586	4.1
202.06180	1.7
204.08025	1.5
213.09224	1.9
215.07289	1.4
215.10753	31.8
216.11102	2.2
217.08670	2.7
223.07585	1.2
226.06354	1.7
229.08582	0.8
231.10257	1.5
232.07454	0.9
241.08737	9.9
244.07309	2.5
259.02792	3.6
259.09735	100.0
259.17065	1.9
260.10120	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	259.0974
Annotation	Pleurotellic acid
Peak:m/z	Relative Intensity
55.01887	2.9
57.03442	18.9
59.01377	6.5
60.02477	2.3
65.03922	2.7
65.30615	2.2
67.01888	6.9
69.03445	5.7
69.75874	12.4
71.01394	4.2
77.01041	2.3
79.95747	5.7
81.03462	2.7
83.01410	2.2
83.05000	3.6
85.02979	2.5
91.05525	5.6
95.05048	6.0
97.02953	9.2
98.19999	4.8
105.07066	3.2
107.05039	3.0
112.32729	2.4
115.79280	2.7
117.07109	2.8
119.05051	4.3
121.06599	4.7
122.59969	2.8
124.01619	2.6
130.04216	2.6
131.05017	6.3
131.08665	2.8
133.06584	10.2
134.05948	2.5
135.04581	3.2
144.05789	3.1
145.06607	10.1
147.04425	3.1
147.08154	21.8
149.06027	4.5
155.08727	3.8
156.05794	2.6
157.06583	55.2
158.07365	44.9
159.04492	24.1
159.07988	4.0
160.05309	7.1
161.06085	25.4
162.06738	3.9
163.07623	5.7
164.04836	23.3
169.06648	2.7
169.10199	20.5
171.08167	30.7
172.05298	4.8
172.08931	4.4
173.06073	25.0
173.09708	97.5
174.06819	9.9
174.10052	5.6
175.04053	7.4
175.07645	51.7
176.07930	3.6
179.07109	18.0
181.06601	8.5
182.07416	5.2
184.05305	4.1
185.06108	25.0
185.09755	4.0
185.72705	2.4
186.06870	4.6
187.03894	2.6
187.07625	9.1
187.11324	11.9
189.09187	30.7
195.08125	11.7
197.09709	58.9
198.06773	3.8
198.09985	3.6
199.07620	20.9
200.08401	30.7
201.05574	5.7
202.06227	3.2
213.09218	8.0
215.07487	14.4
215.10754	86.7
216.07903	6.5
216.11069	5.1
217.08723	12.2
226.06291	3.1
231.10120	5.3
241.08702	11.6
247.15112	2.4
259.02740	13.6
259.05826	5.5
259.09747	100.0
260.10086	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	259.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
59.01377	17.2
63.69274	0.6
63.89317	0.6
64.87445	0.6
69.45078	3.0
69.45495	1.8
71.05016	0.7
79.95729	1.3
96.96023	1.3
125.09657	0.8
133.66853	0.6
135.53474	0.6
137.09726	8.1
153.09224	1.6
155.10773	100.0
156.11072	4.2
164.04820	2.2
171.10274	20.3
172.10513	0.9
179.07178	1.6
181.08658	1.4
197.11734	1.3
199.09746	30.4
200.10132	1.0
215.12929	1.6
217.10793	85.5
218.11194	3.7
259.02808	2.5
259.09412	0.7
259.11871	12.0
260.12445	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0973
Annotation	Pleurotellic acid
Peak:m/z	Relative Intensity
52.57733	3.2
55.01866	6.7
57.03440	13.6
59.01374	7.8
67.01888	7.0
67.59375	3.3
68.80392	3.7
69.03453	6.5
69.19444	36.2
91.05534	6.3
95.84424	3.5
97.02940	5.1
98.46692	3.5
107.05045	3.7
116.90840	3.7
119.05038	5.0
133.06592	9.5
143.05035	5.7
144.05811	3.4
145.06590	9.0
147.04501	3.5
147.08156	19.2
157.06578	54.5
158.03748	4.1
158.07367	46.7
159.04500	16.2
159.08066	4.2
160.05275	10.6
161.06042	20.3
163.07680	3.5
164.04709	5.8
164.50317	3.7
169.10219	13.0
169.22478	3.5
171.08168	28.5
173.06140	24.3
173.09712	100.0
174.06786	9.2
175.04033	3.2
175.07617	52.0
176.04756	3.9
181.06503	6.9
182.07281	9.3
182.21971	3.8
185.06018	23.4
186.06815	5.7
187.07631	5.5
187.11278	6.3
189.09216	34.6
195.08116	9.3
197.05980	3.9
197.09706	55.1
198.06804	3.9
199.07646	14.6
200.08432	35.3
213.09145	7.4
215.07127	11.5
215.10751	74.2
216.07858	6.2
217.08691	12.7
241.08681	12.2
247.63004	3.7
259.09769	84.0
260.09949	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	259.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90371	1.3
53.86199	1.3
55.01884	3.1
57.03446	24.6
59.01371	4.1
64.67369	1.3
65.03963	5.7
69.03445	6.8
69.69148	4.5
69.69557	2.9
75.79944	1.5
79.95733	5.9
81.03447	1.5
83.05056	1.9
91.05531	2.7
93.03459	2.9
95.01347	3.3
96.02218	2.0
97.02936	9.5
105.07086	2.0
107.05055	3.5
109.02950	2.7
117.07121	12.8
119.05034	2.9
119.08644	1.5
121.06580	3.6
123.04503	6.0
130.04204	2.2
131.05099	1.5
133.06612	3.2
135.04550	3.2
143.04974	2.5
145.06599	7.3
147.04575	1.9
149.06050	3.4
151.30049	1.4
155.08635	2.5
156.05818	1.6
157.06577	45.1
158.07060	3.2
159.04559	2.5
159.08113	2.7
161.06049	10.4
163.07620	4.8
164.04797	16.5
169.06554	2.9
169.10255	1.8
171.08150	12.4
172.08760	2.1
173.06084	7.4
173.09709	31.0
174.06815	1.8
179.07140	10.3
181.06587	3.9
182.07339	11.0
185.06133	3.9
185.09695	2.8
187.07634	5.8
187.11317	3.2
189.05495	1.8
189.09216	3.1
195.08147	1.6
197.09715	100.0
198.10049	4.5
199.07655	7.0
200.08429	10.2
201.05579	2.9
213.09184	2.7
215.07187	4.3
215.10754	59.7
215.12886	2.8
216.11108	3.3
217.08664	5.9
229.08672	2.9
241.08647	6.1
259.02814	7.9
259.09741	65.5
260.10022	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	259.0279
Annotation	Phorbazole D
Peak:m/z	Relative Intensity
59.91854	0.1
60.04302	0.1
69.22697	0.3
69.23107	1.0
79.95733	20.5
80.96514	5.3
81.44079	0.1
117.03481	0.1
118.14016	0.1
119.05014	0.1
137.02451	1.3
138.03183	0.2
145.02942	0.2
153.19717	0.1
158.15504	0.1
163.04028	2.4
164.04785	100.0
165.05112	2.9
179.07127	62.0
180.07455	2.3
225.65369	0.1
244.00459	0.6
259.02780	49.8
260.03116	2.9
260.05487	0.1
275.68018	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	259.028
Annotation	Phorbazole D
Peak:m/z	Relative Intensity
54.93684	0.3
58.58680	0.3
79.95732	21.6
80.04515	0.3
87.04547	0.3
96.96030	0.3
120.81517	0.3
137.02460	0.6
139.00356	0.5
154.02757	0.6
155.10768	1.2
163.04016	1.7
164.04782	100.0
165.05101	5.5
179.07126	30.6
180.07477	1.5
195.06537	0.5
217.10750	0.8
244.00436	3.2
259.02777	40.1
260.03094	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	259.0973
Annotation	Pleurotellic acid
Peak:m/z	Relative Intensity
57.03445	83.4
57.64163	2.0
61.34024	2.2
65.03955	3.6
71.52338	2.2
88.10852	2.6
93.03438	4.2
107.05043	3.6
130.04247	2.3
133.06598	2.7
135.22937	2.1
145.06589	16.8
149.06033	4.0
157.06581	66.2
158.06978	2.7
161.06122	3.2
164.04837	5.4
173.09691	44.3
175.07805	2.0
179.07126	3.5
181.06552	2.8
182.17191	2.3
185.06033	4.3
195.08055	3.0
197.09715	21.7
199.07680	6.7
200.08382	4.8
201.05611	4.8
213.09206	3.0
215.07243	4.8
215.10744	52.2
216.07846	3.1
216.11092	4.5
217.08644	6.3
223.07486	3.2
226.06253	3.8
241.08621	11.5
244.07452	7.2
259.09732	100.0
259.17029	7.5
260.10086	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	259.0973
Annotation	8-Deoxylactucin
Peak:m/z	Relative Intensity
55.01865	2.3
57.03450	22.9
59.01366	2.3
59.40797	1.4
65.03964	4.8
67.01852	1.5
69.03451	6.0
69.29012	12.6
79.95739	1.4
82.18700	1.3
91.05533	2.8
93.03424	2.2
95.01407	2.9
95.05049	2.3
96.02170	2.3
97.02935	6.8
105.07105	1.7
106.04186	1.9
107.05046	2.4
115.05533	2.2
117.07096	13.7
119.05009	3.9
121.06596	2.2
123.04526	5.6
123.31323	1.3
123.82381	1.3
129.07129	2.1
133.06625	2.8
133.23332	1.4
135.04483	2.4
145.06578	7.2
147.08150	1.9
149.06078	5.0
155.08640	1.6
157.06572	38.2
158.07181	2.2
160.05179	1.6
161.06076	8.4
163.07666	1.8
164.04781	2.3
169.06554	3.5
169.10150	1.8
171.04541	1.7
171.08153	11.2
172.05267	1.9
173.06105	6.9
173.09706	27.2
179.07158	3.1
181.06580	3.1
182.07393	7.5
185.06013	2.6
185.09656	2.5
187.07622	2.9
187.11249	3.2
189.09192	2.9
195.08072	2.6
197.09708	100.0
198.10081	7.5
199.07637	6.4
200.08490	8.8
201.05653	3.5
203.07082	2.0
213.09184	3.1
215.07289	3.1
215.10764	57.6
216.08025	1.9
216.11053	3.2
217.08629	6.5
238.32166	1.7
241.08684	6.2
259.02670	1.7
259.09732	62.1
260.10074	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	257.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41709	0.7
55.01886	1.4
59.01380	100.0
59.84474	0.7
60.33236	0.5
63.98295	0.6
67.01904	2.9
73.02963	0.9
79.95753	1.8
95.05022	1.1
125.06096	2.9
125.09721	1.5
143.04979	0.8
149.04700	0.6
155.32350	0.7
160.47243	0.6
161.02518	0.7
163.11295	1.0
169.06554	0.8
170.07338	0.8
171.08165	1.9
172.05331	0.9
181.12364	1.8
185.06088	1.3
186.07027	0.7
187.07654	1.8
195.08202	3.5
197.06039	1.4
198.06830	1.8
213.09227	1.9
225.11392	1.7
239.07193	1.4
239.12482	0.6
257.08292	3.1
257.13950	26.1
258.14182	1.3
260.21960	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.6
59.01379	28.4
63.02507	0.9
64.54720	0.8
66.97968	0.9
70.17484	3.8
72.04527	1.3
78.76817	0.8
78.91867	1.0
79.95730	2.6
80.96525	1.8
85.02952	23.7
87.00879	2.8
87.04528	2.1
95.95230	1.2
96.96004	1.9
101.02470	1.0
129.01945	2.3
135.04521	1.5
142.12379	19.3
153.28966	1.0
154.12360	8.7
155.10767	4.7
168.10303	4.5
169.12354	1.1
170.11856	31.8
171.10213	1.2
171.12173	1.3
176.03963	1.0
197.11771	1.0
198.11346	100.0
199.09778	3.1
199.11670	4.3
216.12390	73.3
217.10767	3.7
217.12778	3.2
258.10925	1.1
258.13297	4.3
259.02606	1.1
259.11880	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	257.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66347	1.5
55.01880	11.8
57.03448	25.3
59.01373	4.5
69.03447	5.9
69.96549	7.6
71.05020	12.6
73.02944	26.2
81.03458	2.4
83.05019	15.3
85.02946	3.7
87.04507	3.0
95.05023	2.2
97.06550	2.0
99.04531	16.2
109.06557	1.8
111.08210	7.8
118.94201	3.4
123.08163	2.4
125.02431	1.8
125.06126	1.8
133.02922	1.9
133.10246	8.7
135.08221	1.7
137.09691	2.6
139.07632	22.0
139.11288	2.4
151.11287	17.3
153.09189	2.5
154.61140	1.6
177.01924	38.3
177.09158	2.6
178.02240	2.0
183.10278	5.0
195.10233	4.8
213.09267	4.1
213.11314	75.8
214.11566	2.2
256.97690	3.0
257.10306	100.0
258.10602	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	257.103
Annotation	Tensyuic acid B
Peak:m/z	Relative Intensity
55.01873	11.7
57.03444	20.8
62.80338	1.5
69.03456	6.2
69.48036	6.7
69.48464	4.4
71.01372	1.9
71.05010	11.4
73.02947	25.8
81.03459	1.9
83.05034	13.8
84.72697	1.2
85.02945	4.8
99.04512	6.8
111.08168	7.8
125.06035	1.5
133.10239	11.4
139.07655	20.0
139.11259	2.7
140.08051	1.3
151.11275	19.0
153.09183	2.0
169.12390	2.2
177.01923	5.7
177.09175	3.2
183.10222	5.4
195.10287	4.3
213.11320	71.1
214.11646	3.9
217.82927	1.6
257.10284	100.0
258.10574	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	257.082
Annotation	Lunularic acid
Peak:m/z	Relative Intensity
50.15887	1.7
57.03431	4.8
59.01364	4.3
60.15808	1.6
67.01891	100.0
69.03457	2.2
69.66782	9.3
71.01383	2.4
81.03452	4.2
89.03957	3.4
93.03453	2.6
96.96020	3.3
106.54797	1.8
115.05530	3.4
119.05007	2.3
121.02876	1.6
128.06311	2.4
129.07098	3.6
130.04216	7.0
131.04964	2.0
131.42419	1.7
133.06662	1.7
135.04549	3.2
141.07103	2.5
143.05013	9.1
143.08630	8.2
144.05788	6.9
145.06612	15.4
148.05258	2.5
152.06345	1.6
156.05812	20.9
157.06538	9.5
158.03770	4.0
159.04492	7.4
159.08153	7.6
161.06161	2.5
163.07690	1.9
167.08693	5.1
169.06566	17.1
169.10330	2.0
170.07358	21.9
171.04524	10.0
171.08162	77.5
172.05312	14.2
172.08501	1.8
173.06082	3.7
174.03128	2.8
180.05840	8.7
181.06487	2.1
183.04547	3.2
183.08141	6.6
184.05247	2.2
185.06071	25.4
185.09653	14.1
186.06825	14.9
187.03981	3.8
187.07648	44.3
188.04787	6.7
188.07979	2.1
193.06499	2.8
194.07420	4.8
195.08150	62.1
196.05255	5.7
196.08466	3.0
197.06090	28.6
198.06857	46.6
199.04063	3.6
199.07222	2.5
200.04762	6.4
201.05559	1.9
202.06372	5.2
211.07643	17.1
213.05557	4.5
213.09206	44.0
214.06314	4.9
215.07127	46.0
216.07474	2.3
218.05814	5.0
229.08633	5.6
237.05571	2.9
239.07129	28.6
241.05151	2.4
242.05882	7.9
257.08197	81.6
258.08511	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	257.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16611	1.8
51.62741	2.2
57.03444	5.0
58.46218	1.9
59.38159	1.7
65.03955	2.1
67.01890	100.0
69.03491	1.8
71.53822	2.0
81.03452	6.7
83.01363	2.1
91.05569	1.9
93.03465	2.6
94.65871	1.7
115.05474	2.6
119.04997	3.1
123.06604	1.8
128.06314	3.7
129.07092	3.3
130.04240	7.8
131.05048	2.3
135.04520	2.5
141.07103	3.1
143.04996	7.3
143.08679	6.3
143.73259	2.0
144.05817	6.6
145.03038	2.0
145.06581	15.6
155.05029	2.8
156.05797	23.9
157.06668	10.8
159.04515	5.9
159.08141	8.6
161.06096	3.5
167.08656	8.2
169.06577	20.7
170.07393	19.5
171.04524	11.3
171.08157	84.3
172.05299	13.2
172.08464	4.6
174.03235	2.1
180.05791	6.9
183.08150	6.2
185.06108	22.8
185.09683	14.6
186.06805	13.5
187.04065	3.6
187.07645	48.9
188.04749	8.8
193.06566	2.5
194.07350	4.3
195.08150	73.1
196.05199	4.1
196.08485	5.1
197.06078	27.3
198.06848	50.1
199.04027	5.5
199.07095	3.4
200.04790	4.8
202.06265	4.1
211.07599	16.5
212.08386	2.2
213.05498	5.9
213.09201	49.5
214.06273	6.4
214.09444	3.1
215.07133	50.2
216.07506	2.0
218.05949	3.2
224.04764	2.1
229.08707	5.0
239.07141	37.1
240.07312	2.6
242.05789	12.0
257.08170	88.8
258.08456	5.7
269.99207	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0819
Annotation	2-Naphtylmethylsuccinic acid
Peak:m/z	Relative Intensity
53.79703	1.3
57.03435	3.7
59.01374	4.0
60.32880	1.5
63.50883	1.2
65.03974	2.5
67.01892	100.0
67.55457	1.5
68.02245	1.9
69.03461	2.8
70.61172	4.0
71.01398	2.0
72.38888	1.3
81.03452	4.7
83.01405	1.4
83.05056	2.1
89.03941	2.1
91.05534	1.6
93.03460	4.4
97.02946	8.2
107.05032	2.4
109.02954	2.8
115.05600	3.0
117.07056	1.4
119.05021	3.0
120.93216	1.4
121.02970	2.6
124.05305	1.9
124.55453	2.0
124.64202	1.3
129.07117	3.4
130.04266	9.0
131.05025	3.7
133.06607	2.3
134.03754	1.6
135.04544	4.0
141.07137	3.0
143.05040	10.7
143.08635	8.2
144.05782	5.0
145.06596	15.1
146.03760	1.4
147.04489	2.1
152.06374	1.4
155.05099	1.8
156.05814	26.7
157.06583	10.8
158.03743	3.1
159.04520	9.6
159.08186	9.9
161.06113	2.6
167.05058	1.8
167.08630	3.5
168.05782	1.8
169.06602	20.4
169.10239	3.0
170.07355	21.0
171.04568	12.7
171.08160	81.5
172.05281	13.4
172.08542	3.4
173.06091	3.5
174.03191	1.8
178.14713	1.5
180.05817	3.7
183.04536	4.5
183.08116	7.7
184.05249	3.3
185.06094	24.2
185.09708	16.4
186.06868	14.0
187.04070	3.2
187.07643	51.4
188.04768	6.8
188.07875	2.2
189.05156	1.5
193.06644	3.2
194.07375	1.7
195.08154	27.0
196.05273	4.5
197.06076	30.4
198.06848	45.9
199.03992	5.1
199.07239	3.3
200.04785	4.0
201.05620	2.1
202.06355	6.1
211.07668	8.9
212.08394	1.8
213.05794	2.4
213.09213	48.6
214.06256	6.7
214.09546	1.8
215.07123	48.5
216.07449	2.9
218.05829	4.0
224.04852	1.9
227.07147	2.8
229.08701	3.9
239.07152	14.4
240.07590	1.8
242.05888	4.4
257.08197	68.2
258.08481	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	257.0819
Annotation	2-Naphtylmethylsuccinic acid
Peak:m/z	Relative Intensity
57.03457	6.6
59.01378	3.0
63.87961	1.3
64.32990	1.1
67.01888	91.3
68.02199	1.8
71.29224	1.3
79.04855	1.3
81.03459	4.4
83.01395	2.1
89.03997	1.7
93.03448	2.0
103.05539	2.1
109.02930	1.4
115.05552	1.4
119.05038	3.1
128.06342	2.8
129.07140	1.9
130.04222	7.9
131.05002	2.9
135.04488	3.8
141.07065	1.9
143.05017	10.2
143.08652	8.3
144.05794	5.5
145.06589	14.4
153.06989	1.4
155.05051	1.7
156.05791	21.9
157.06607	7.4
158.03725	2.2
159.04504	5.1
159.08188	9.1
161.06061	1.5
167.08629	7.8
168.05786	1.4
169.06586	17.7
169.10175	3.4
170.07373	19.8
171.04491	9.4
171.08151	71.0
172.05316	11.4
172.08424	3.8
173.06058	3.8
174.03181	2.8
180.05768	8.5
183.04466	4.1
183.08150	4.5
185.06085	17.7
185.09663	12.0
186.06836	13.3
187.04021	3.8
187.07632	44.3
188.04770	6.3
188.08035	1.8
193.06557	3.7
194.07384	5.6
195.08134	100.0
196.05272	5.4
196.08524	5.5
197.06073	26.9
198.06842	44.3
199.04085	3.4
199.07271	2.3
200.04718	4.2
202.06302	5.3
209.06044	1.4
211.07626	17.0
212.08284	2.4
213.05589	5.1
213.09203	40.2
214.06317	7.2
214.09575	2.2
215.07106	40.2
216.07430	1.8
218.05843	2.3
224.04779	2.8
229.08643	3.5
237.05652	2.4
238.06400	1.8
239.07124	34.3
239.09535	2.5
240.07629	1.6
242.05817	7.7
257.08188	76.6
258.08481	5.6
268.04379	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	256.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58310	2.9
57.03432	3.1
59.01375	6.2
59.79734	2.7
66.51787	2.4
67.11829	2.9
69.03430	3.7
71.01382	13.4
71.51162	5.0
72.04529	14.0
72.99304	3.0
73.34483	2.7
82.01082	3.1
82.02990	34.6
83.01419	5.1
84.00903	3.7
84.04557	4.6
85.02974	4.4
93.03438	5.1
96.96016	5.1
98.02467	20.9
98.06123	11.1
99.08160	3.3
100.04032	17.1
110.02484	3.4
110.06178	3.8
111.04506	6.1
112.04041	5.4
112.07678	7.3
115.00377	23.4
115.04007	3.1
121.06569	11.7
124.04027	7.9
125.06042	3.0
126.05600	13.8
126.09260	32.1
127.02490	8.0
128.03514	5.7
128.07170	11.7
129.00429	7.1
130.00539	3.7
138.05547	4.1
140.07114	3.3
140.10847	6.4
148.07663	10.1
150.09213	22.7
151.07591	4.6
154.08717	11.7
166.08737	6.5
168.10251	7.0
171.01486	20.0
182.08150	3.5
184.09789	12.7
184.99420	3.3
186.03325	4.2
194.08209	6.9
196.99486	21.5
210.07719	34.3
211.99330	3.6
212.09258	48.3
219.84535	16.7
228.08711	11.1
255.23332	21.6
256.05658	7.3
256.08264	100.0
256.23611	69.0
257.08496	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	257.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96661	0.5
59.01377	1.5
71.01380	22.9
71.50047	0.6
72.99306	1.2
73.02940	7.6
74.81034	0.5
74.99369	1.2
82.02998	0.7
91.51221	0.6
96.96020	0.7
99.00872	1.2
109.01460	1.4
110.02480	1.6
110.99390	1.1
112.92345	0.9
113.00967	2.8
114.92031	1.4
115.00369	27.3
115.02438	0.7
117.00462	2.1
117.01941	5.7
125.03575	0.9
127.02520	10.6
129.00456	12.4
130.08740	0.6
131.00221	1.8
131.02003	54.1
132.02104	3.1
139.05112	0.7
141.00513	0.6
141.02315	0.9
148.98721	0.6
152.02380	0.6
153.00363	0.8
154.93335	0.8
156.93123	1.0
156.99922	100.0
158.00040	6.2
158.99670	0.8
167.04617	10.5
169.03551	1.2
171.01498	21.8
172.01617	1.5
174.95079	0.9
174.96519	0.7
182.97002	1.2
185.02982	2.8
187.02823	5.7
187.04633	4.5
195.05046	0.5
196.99405	30.2
197.03027	0.9
197.05733	1.3
197.99509	1.2
199.01024	0.9
213.00652	1.0
213.09283	0.9
215.00481	1.7
238.83704	0.5
239.00452	1.0
256.23697	3.3
256.99646	3.8
257.01593	4.8
257.07907	1.9
257.23834	0.8
261.79285	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26556	1.3
56.41726	1.1
57.03448	5.8
59.01154	1.1
59.01385	12.6
59.55780	1.2
70.72936	2.8
71.01385	5.3
71.05016	4.0
71.18729	1.1
73.02946	3.9
79.95773	1.4
81.03460	11.2
81.07102	3.1
83.05026	4.9
83.45035	1.1
84.02171	2.8
85.02966	7.9
85.06602	2.0
85.46612	1.1
87.00848	1.0
87.04557	1.1
93.03437	1.4
95.05016	12.2
96.96010	22.0
97.02934	1.7
97.06579	5.0
97.68295	1.1
98.03716	5.7
99.04504	9.5
107.05020	1.2
108.02186	10.4
109.02981	1.4
109.06576	4.9
111.04515	3.7
111.08173	3.0
113.06103	4.0
114.74673	1.0
121.06607	2.7
123.08159	3.2
125.02504	1.5
125.06093	4.8
125.09736	3.7
126.03230	100.0
127.03574	1.3
127.04022	1.1
127.07635	2.0
133.46083	1.1
136.05283	6.2
137.06070	4.4
137.09734	1.5
139.07663	1.6
139.11252	1.4
149.06033	1.3
149.09679	3.4
153.12851	1.5
155.07214	2.0
160.94644	1.1
163.11273	4.6
167.10747	4.1
173.11819	18.1
173.13219	1.9
177.09242	3.1
178.21378	1.2
179.14308	1.3
181.12340	2.0
189.12840	6.9
191.14430	5.5
193.12318	2.0
195.13892	1.3
207.13887	9.7
209.11775	1.9
209.15437	6.9
211.10121	1.4
211.13391	8.8
217.12424	2.4
225.14912	8.4
235.13390	28.6
253.05399	1.0
253.07492	30.8
253.14455	89.2
254.07944	1.5
254.14815	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2172
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
70.58557	51.6
99.21294	16.4
102.48327	19.6
253.21687	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
62.33094	0.4
65.87710	0.5
69.03423	0.5
69.84152	2.2
78.03491	7.7
87.90520	0.4
98.20064	0.8
109.49651	0.4
116.89226	0.4
122.02480	100.0
123.02819	2.8
131.03484	0.5
160.28442	0.4
162.14664	0.5
254.06610	1.1
255.23308	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	255.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.8
59.01382	30.0
71.10358	1.0
79.95729	0.9
83.64604	0.7
96.96011	100.0
98.95586	5.5
98.96288	0.9
109.02952	0.8
111.00894	1.2
115.07650	2.5
121.06553	1.0
123.04523	1.1
124.98866	0.7
125.02421	1.1
125.06085	1.7
126.09239	2.0
134.02673	0.7
137.09668	1.2
138.06705	0.7
148.01657	2.5
150.09123	0.7
152.91800	1.2
153.05562	2.1
155.19734	0.8
167.10782	0.9
175.09760	26.8
176.10091	1.1
193.03601	1.2
193.05388	19.5
194.05676	1.3
194.92801	1.9
195.03334	11.8
210.07695	1.7
211.09775	1.0
212.09250	3.3
219.84509	3.1
225.03969	3.6
255.05415	77.6
255.08438	2.6
255.23283	84.1
256.05692	3.1
256.08295	5.1
256.23718	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
58.97483	0.5
59.01379	7.8
65.99141	0.5
68.43718	0.4
70.80219	0.4
71.01369	1.5
71.05011	0.5
79.95759	1.9
80.96512	1.0
82.96096	1.8
83.05036	0.5
85.02975	1.1
89.02454	1.2
96.96008	93.3
97.02985	0.6
97.60699	0.4
101.02470	0.6
109.06621	0.6
113.02453	0.9
116.59161	0.5
121.02977	0.8
121.05776	0.5
122.13528	0.4
125.09696	0.8
126.03230	1.0
127.11270	3.2
135.02992	0.6
135.04535	1.3
136.05280	2.1
155.10728	0.7
161.04523	0.7
162.06876	2.8
163.11368	0.5
165.12813	0.5
173.11816	55.0
174.12177	2.5
177.09201	2.9
183.59718	0.5
191.14137	0.5
193.07152	0.6
195.10333	0.6
232.20680	0.4
235.13388	3.1
249.56500	0.5
253.07491	100.0
253.14511	4.7
254.07768	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	253.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54587	1.3
55.01868	3.0
57.03443	10.7
59.01380	18.9
69.03450	2.5
70.80128	1.9
70.80467	2.8
71.01375	12.0
71.05012	13.2
73.02938	5.8
74.30215	1.6
79.74562	1.4
81.03453	19.2
81.07085	4.0
83.01371	2.5
83.05020	11.7
84.02156	5.4
85.02956	13.3
85.06572	5.6
93.03457	48.7
94.03784	1.7
95.05024	21.7
96.95981	2.0
97.02913	1.8
97.06599	11.7
98.03740	10.1
98.95570	5.8
98.96472	1.5
99.04530	16.0
101.02451	2.2
107.05035	1.8
108.02175	17.8
109.02975	1.8
109.06574	7.4
111.00861	2.7
111.04502	4.5
111.08154	6.3
113.06085	7.9
121.06580	2.9
123.04514	1.5
123.08143	5.8
125.06075	4.6
125.09706	5.8
126.03229	97.2
127.07643	3.7
128.04779	2.7
135.04541	2.4
137.02443	92.8
137.06084	3.0
137.09686	1.8
138.02759	5.0
139.03996	2.2
139.07597	2.2
149.09702	5.6
155.07091	2.4
161.09656	2.2
163.11218	4.7
165.09152	1.7
167.07289	1.5
167.10782	4.6
171.10312	2.0
175.11269	2.7
177.12730	1.9
179.10764	2.9
179.14403	4.8
180.31961	1.4
189.12856	13.5
191.14407	17.3
193.12206	2.1
205.12413	1.8
207.13904	21.1
209.11887	3.1
209.15482	14.0
211.13350	13.8
213.49306	1.4
217.12164	3.2
225.14919	9.7
235.13382	42.5
236.13773	1.9
238.11989	2.7
253.05473	3.4
253.14436	100.0
254.14763	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	252.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.7
61.98809	2.4
69.85176	1.1
70.10596	3.9
71.01376	6.5
72.99310	57.1
73.02973	1.3
75.10644	0.9
83.01397	1.5
85.02959	2.6
86.03271	1.2
87.00883	6.0
89.02422	1.5
91.01896	2.3
93.03435	1.3
96.96017	15.7
99.00896	1.0
101.02419	2.8
102.02786	1.8
107.03758	1.7
107.04921	1.1
108.04565	14.6
113.02493	2.4
118.02989	4.8
120.04545	2.9
132.04552	3.6
134.06133	9.8
136.04033	15.8
137.06006	0.9
144.03531	1.8
144.04570	27.0
145.04845	1.1
146.01414	1.5
146.02492	11.9
146.06131	6.5
147.03268	45.0
150.05597	10.3
159.08134	0.9
160.04041	100.0
161.04398	4.3
162.01950	3.4
162.05606	38.1
163.05864	1.0
164.03555	6.6
172.03973	2.1
178.05058	1.8
188.03531	10.3
190.05090	69.8
191.05360	3.0
206.04607	18.1
206.74965	1.0
224.05693	1.6
232.27063	1.1
234.04034	16.1
252.05128	49.4
252.11682	1.5
253.05533	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	252.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01116	0.9
59.01381	12.3
70.78529	2.3
71.01368	6.5
72.99307	59.7
73.02936	1.9
73.99622	0.8
74.21593	0.8
79.95729	1.3
85.02962	1.8
87.00887	7.0
89.02428	4.2
91.01861	2.6
92.50552	1.0
93.03481	1.3
96.96012	100.0
99.00844	1.1
101.02438	5.1
107.03748	2.3
108.04549	15.8
113.02415	2.9
118.02979	6.9
119.03471	1.6
120.04552	3.7
127.10188	0.9
131.03740	1.5
132.04520	2.3
132.06566	0.9
134.02563	0.8
134.03654	1.1
134.06119	10.4
136.04051	20.4
144.04556	25.1
145.04872	1.2
146.02464	9.7
146.06111	6.2
147.03267	43.6
147.04427	1.8
147.06474	1.1
148.03583	1.4
149.04558	1.6
150.05605	9.5
154.97508	9.0
160.04036	97.6
161.04462	6.2
162.01950	3.7
162.05606	40.7
163.03989	1.1
163.05910	1.0
164.03552	5.1
164.04642	0.9
164.07104	1.8
172.04102	1.5
173.08170	1.6
178.05128	1.3
179.05721	1.1
180.06537	1.2
188.03535	7.8
190.05092	65.9
191.05441	2.5
206.04585	15.9
209.04729	0.9
224.05582	2.7
234.04036	16.5
252.05112	55.0
253.03835	3.7
253.05768	1.1
253.09187	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	253.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26610	0.4
59.01378	2.7
69.58279	1.0
69.58689	1.8
71.01379	6.5
93.03459	53.2
94.03793	1.3
96.96011	9.0
98.20646	0.7
98.95575	1.5
115.00371	1.6
121.02968	0.7
121.24994	0.5
133.01483	0.5
137.02443	100.0
138.02776	2.4
145.34731	0.5
165.09201	0.8
173.11841	1.5
253.05461	1.3
253.07671	4.6
253.10110	0.7
253.14441	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51657	0.2
57.89064	0.2
59.01381	2.9
61.98803	0.3
62.73088	0.2
69.80465	1.3
71.01378	0.4
79.95737	1.2
83.83179	0.2
85.06609	0.7
89.02482	0.3
96.96011	100.0
97.95889	0.3
101.02432	0.4
101.24851	0.3
122.97597	0.5
126.16689	0.2
129.05591	1.5
161.04436	0.3
173.08224	0.2
176.55850	0.2
193.07158	0.4
209.11623	0.2
253.03856	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	253.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.1
59.01381	12.1
68.39944	0.6
69.03462	2.0
70.12518	0.6
70.19981	1.4
70.20376	1.8
71.01379	2.1
73.02950	1.2
83.01384	1.0
83.05022	1.9
85.02949	2.0
87.04554	0.7
87.86849	0.7
93.03440	0.8
96.96010	7.0
97.06619	3.7
97.35592	0.7
101.02446	1.8
107.05035	1.5
109.02961	0.8
111.00890	1.0
111.08114	0.7
121.02956	100.0
122.03242	1.6
125.06162	1.1
126.03229	6.8
127.04010	1.2
135.04521	5.8
139.07707	1.0
147.04521	2.7
147.08232	0.8
149.06097	1.2
149.09839	0.8
151.11258	1.2
161.04552	1.1
162.06856	34.7
163.07333	1.3
165.09186	1.4
165.12845	1.0
167.10768	2.6
177.09200	21.5
177.10725	1.4
178.09462	1.4
179.10811	1.1
191.10818	1.3
191.14388	1.7
193.07104	0.9
209.11801	2.5
235.13365	11.7
253.07393	2.1
253.10976	2.2
253.14427	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	251.1652
Annotation	Rumphellolide A
Peak:m/z	Relative Intensity
50.02745	1.3
57.03439	3.4
59.01380	3.4
69.34044	10.3
76.05279	1.3
91.88741	1.3
95.05032	1.3
100.70657	1.3
101.02442	1.7
113.29208	1.4
116.08711	1.2
120.01627	1.2
135.08119	1.5
137.09717	100.0
138.10062	3.3
138.67488	1.2
205.15939	9.1
207.17543	36.9
208.17751	1.6
212.86240	1.4
235.71342	1.5
251.05933	1.3
251.12726	1.9
251.16661	27.8
252.16801	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	251.1653
Annotation	Hebelophyllene B
Peak:m/z	Relative Intensity
57.03444	2.1
65.09303	0.3
69.64391	1.4
71.05041	0.6
73.02949	0.4
79.95752	0.3
81.03442	0.4
87.04516	15.7
98.20631	0.5
101.06071	1.0
107.04987	0.4
122.03699	0.3
133.06561	2.2
135.08162	27.0
136.08476	0.7
143.90016	0.3
147.08153	5.3
149.06110	0.4
151.04068	0.4
159.08214	0.6
163.11284	11.3
164.11650	0.5
173.09705	0.4
175.11241	0.7
191.10780	2.6
205.12273	2.5
207.13872	0.5
209.25537	0.3
215.14412	0.8
217.12326	0.6
233.15436	7.0
234.15875	0.8
235.13380	11.9
236.13644	0.9
238.83408	0.3
249.14943	4.8
250.15225	0.3
251.16516	100.0
252.16873	6.3
259.56393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1652
Annotation	Cryptomerone
Peak:m/z	Relative Intensity
51.03868	0.9
52.77105	1.0
57.03448	100.0
58.03790	1.4
68.67809	1.1
69.03465	2.1
71.00793	1.3
71.01119	1.5
81.07096	3.0
83.05054	1.9
84.73674	1.0
153.53770	1.0
205.15924	1.7
207.17526	99.8
208.17830	6.2
221.15492	2.6
230.87543	1.0
251.16553	38.7
252.16873	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	251.1652
Annotation	Rumphellolide A
Peak:m/z	Relative Intensity
55.72250	1.6
69.99167	4.7
98.19947	1.9
137.09724	100.0
138.09998	2.0
176.21498	1.4
180.17680	1.9
205.15942	10.7
207.17523	45.7
207.19507	2.6
208.17860	2.2
251.16508	32.4
264.49216	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	251.1651
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
55.39352	0.4
57.03441	1.2
59.01381	1.0
69.03445	0.4
71.05020	0.4
73.02946	0.6
85.02973	0.5
99.04528	0.6
101.02420	0.8
135.08131	0.7
135.26251	0.4
151.04070	0.5
163.00537	0.5
175.11295	4.3
179.48207	0.4
188.17166	0.5
189.12778	0.7
191.14421	8.6
207.17545	1.5
221.15543	0.7
251.16534	100.0
252.16879	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	251.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11179	1.1
54.90494	1.2
55.01875	7.8
57.03437	4.9
58.00579	4.1
59.01380	54.4
61.98824	3.0
69.03441	1.3
70.51109	1.2
71.01383	100.0
72.01736	1.6
72.59238	1.1
72.99315	6.7
73.02948	36.7
75.00859	2.8
79.95753	1.2
80.96541	1.3
83.01392	13.2
84.02136	1.2
85.02954	44.2
87.00872	5.6
87.04514	3.0
89.02441	17.1
89.06088	2.6
90.91856	1.2
95.01376	7.6
96.96014	7.0
97.02950	2.9
99.00906	12.6
101.02444	78.7
113.02446	41.2
114.02740	1.6
115.00400	1.8
119.03470	4.2
125.02413	1.7
129.01903	2.3
135.04462	1.8
143.03502	3.8
147.03226	1.4
152.91699	1.9
159.02980	9.8
160.04066	3.6
161.03279	2.4
161.04564	41.7
163.04059	1.7
164.94572	2.0
185.05428	1.2
190.05095	2.5
190.92384	2.7
251.05682	2.1
251.11273	18.3
251.13936	1.3
251.14821	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	251.1652
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
59.01369	2.3
60.99304	1.9
69.61131	2.7
70.25353	0.6
71.01374	0.7
74.71606	0.6
83.05015	0.7
85.02930	1.1
90.37270	0.6
101.02440	0.7
107.57501	0.6
147.08153	0.7
147.11803	0.5
154.20567	0.6
163.11320	1.1
173.27098	0.6
191.10786	0.9
191.14365	0.9
205.15935	3.9
207.17548	0.7
209.11897	2.5
233.15456	0.8
251.16528	100.0
252.16864	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	251.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70595	0.3
67.03265	0.4
67.92627	0.5
69.82748	1.9
69.98773	0.4
71.05019	0.4
79.95718	5.8
80.96520	0.8
93.03439	0.4
95.08657	0.4
95.95252	0.6
96.96009	100.0
97.95874	0.5
105.66367	0.4
107.05044	0.5
122.03738	3.5
127.11291	2.0
131.25121	0.4
135.04514	0.8
136.05316	0.6
150.06833	1.1
151.07668	2.2
163.07664	0.8
171.10284	7.7
207.06931	8.4
207.10223	0.4
233.04904	2.1
251.05934	83.3
251.09557	2.5
251.09607	2.6
251.12665	3.4
252.06230	3.2
252.13535	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21535	1.0
55.01875	9.4
57.03450	6.7
58.00584	3.2
59.01378	81.2
60.39313	1.0
66.89552	1.0
69.03419	1.5
70.63710	3.3
71.01380	100.0
72.99307	27.9
73.02942	33.3
75.00849	2.8
80.96532	2.7
81.03403	1.3
83.01385	17.7
85.02947	45.7
87.00867	6.7
87.04514	1.8
89.02444	31.2
91.01902	1.6
95.01395	7.9
96.96008	5.2
97.02950	2.8
99.00885	12.0
101.02441	90.5
102.02735	1.7
108.04538	5.4
111.00842	2.1
113.02448	43.4
118.02986	2.3
119.03484	8.9
120.04520	1.3
122.03716	1.5
125.02421	3.2
129.01939	1.6
131.03583	1.6
132.04544	1.9
134.06111	4.0
136.04062	8.5
143.03468	4.5
144.04533	13.7
145.02954	1.7
146.02463	2.7
146.06104	3.5
146.95238	1.9
147.03261	17.4
147.04419	1.1
150.05602	2.6
159.03012	7.5
160.04028	40.2
161.04541	41.0
162.01965	2.8
162.05618	15.4
163.04207	2.9
164.03473	1.3
180.06589	1.1
188.03502	3.4
190.05096	26.6
206.04482	6.7
234.04097	7.2
250.85207	1.3
250.99751	1.3
251.02217	1.9
251.05792	2.8
251.11346	22.2
251.14790	2.5
252.05101	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	249.1496
Annotation	Hebelophyllene A
Peak:m/z	Relative Intensity
57.03443	0.6
69.37624	3.9
71.00188	0.5
71.01387	3.7
83.05019	0.7
83.44310	0.4
90.04204	0.4
95.05003	0.5
101.14671	0.4
105.66451	0.5
108.69929	0.6
122.03758	2.5
134.03717	1.4
135.04079	1.1
149.06097	3.7
150.06392	4.5
163.07803	0.6
164.08459	0.6
176.08441	1.0
177.09196	0.9
177.12828	1.9
189.09212	0.9
190.09515	2.7
191.10764	2.1
203.14320	0.8
205.12418	0.5
205.15964	6.1
218.50632	0.5
219.21109	0.5
231.13950	0.9
249.14909	100.0
250.15274	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	250.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57397	2.0
58.02964	10.3
66.38361	2.4
69.96180	5.3
69.96577	4.0
70.02990	3.9
72.00919	2.8
79.95773	2.5
91.05514	3.2
96.06204	2.3
96.96011	100.0
97.95948	6.5
98.95615	8.9
98.96403	2.4
101.56150	2.4
135.04547	3.0
147.04541	13.5
164.05876	3.7
164.07161	41.5
189.83525	2.1
206.08200	27.5
250.04686	16.9
250.11870	6.3
250.14519	19.1
251.05887	13.1
251.09187	5.1
251.12904	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	250.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57397	2.0
58.02964	10.3
66.38361	2.4
69.96180	5.3
69.96577	4.0
70.02990	3.9
72.00919	2.8
79.95773	2.5
91.05514	3.2
96.06204	2.3
96.96011	100.0
97.95948	6.5
98.95615	8.9
98.96403	2.4
101.56150	2.4
135.04547	3.0
147.04541	13.5
164.05876	3.7
164.07161	41.5
189.83525	2.1
206.08200	27.5
250.04686	16.9
250.11870	6.3
250.14519	19.1
251.05887	13.1
251.09187	5.1
251.12904	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	249.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
57.03452	1.0
61.44979	0.5
69.48205	4.1
73.07381	0.6
83.05034	0.9
85.02959	0.7
85.06597	2.5
98.39805	0.5
99.04530	0.8
107.05024	0.8
109.02998	0.8
121.02953	1.0
121.06622	1.2
122.03737	78.5
123.04527	1.6
125.06107	0.6
129.95457	0.6
134.03752	1.9
135.04535	4.9
135.08167	1.1
136.05350	2.7
137.06030	1.3
146.07445	0.6
147.08113	1.0
148.05293	1.9
149.06084	12.6
150.06874	8.0
151.07645	13.7
153.09250	1.6
161.06102	2.1
161.09743	1.5
162.06865	8.3
163.07704	2.8
164.08429	5.3
165.05588	0.9
165.09120	0.7
176.08420	7.8
177.09198	45.1
178.09866	5.5
179.10764	9.6
180.11198	0.6
187.11208	1.3
191.07053	2.1
191.10764	9.9
193.12306	1.2
205.08354	0.6
206.09459	0.6
216.11453	1.3
219.13808	0.6
231.13893	5.8
232.14684	1.8
234.12531	2.6
247.13400	3.2
249.14937	100.0
250.15280	5.7
263.12808	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1496
Annotation	Schiffnerone A
Peak:m/z	Relative Intensity
53.84748	0.6
56.32067	0.7
57.03445	5.0
70.44630	1.6
70.45013	1.0
71.53889	0.7
81.03490	1.1
83.05025	18.7
93.70002	0.6
95.05040	0.7
97.06589	13.3
101.06084	6.7
122.03737	2.2
133.06596	4.8
135.08159	43.2
136.08476	1.2
147.08177	6.5
149.06062	1.8
163.11263	2.8
176.08351	1.2
187.14915	2.1
189.12762	1.0
191.10693	3.5
205.12329	11.7
205.15942	5.0
221.15521	1.1
231.13884	5.0
248.97211	1.4
249.14941	100.0
250.15240	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	249.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.5
57.03442	2.0
59.01369	0.9
65.79202	0.5
69.03448	0.6
69.40122	1.6
69.40549	2.4
73.02966	0.6
79.05534	0.6
83.05003	0.9
85.02908	0.5
95.01364	0.6
95.05022	9.7
97.02939	1.1
97.06608	0.9
98.19869	0.6
107.05037	1.6
108.02185	0.9
109.02926	0.7
109.06606	0.7
113.06077	0.8
119.08691	0.5
121.02982	1.1
121.06589	1.3
122.03740	6.9
123.00908	0.5
123.04530	2.3
123.08155	0.6
124.01669	1.1
133.06573	1.2
134.03737	2.3
135.04507	1.3
135.08165	1.4
136.05302	1.0
147.08252	0.6
149.06084	8.2
149.09717	0.9
150.06833	3.4
151.07643	32.0
159.92873	0.5
161.09718	0.7
162.03214	0.6
162.06827	1.6
163.07639	1.4
173.09744	0.7
175.11267	0.7
177.01826	0.5
177.09227	3.7
178.09793	0.5
182.05878	0.8
185.09796	0.6
187.11223	2.5
189.09123	3.5
191.10704	1.2
192.34793	0.5
193.08725	0.7
203.10767	0.9
205.08714	2.1
205.12282	2.4
205.15938	2.1
213.12837	0.8
216.11551	0.8
219.13925	1.3
221.08134	0.8
231.10223	1.6
231.13853	8.2
247.13412	1.0
249.07756	1.9
249.11380	5.6
249.14941	100.0
250.11841	0.6
250.15163	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	249.1495
Annotation	Hebelophyllene A
Peak:m/z	Relative Intensity
54.06527	0.7
57.03448	18.3
59.89516	0.5
61.91730	0.6
69.03449	0.9
70.73120	1.8
71.94979	0.5
86.39757	0.7
95.64338	0.6
108.19398	0.7
109.25598	0.5
125.78600	0.5
133.10229	1.6
149.06093	0.6
187.15031	0.8
189.12895	4.3
203.14290	0.8
205.15988	4.3
231.13895	10.5
232.14201	0.8
249.14944	100.0
250.15273	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	249.1496
Annotation	Schiffnerone A
Peak:m/z	Relative Intensity
57.03444	2.0
59.01366	1.1
62.72638	0.7
69.23943	6.3
71.01370	0.8
83.05004	0.8
85.02953	1.8
85.06599	3.0
86.04557	0.7
93.03460	3.1
107.05059	0.9
109.02950	2.5
113.02480	0.8
115.10854	0.9
121.02991	1.0
121.06623	1.9
121.36591	0.7
122.03738	100.0
123.04111	2.9
124.05286	0.9
133.06564	0.9
134.03738	9.4
135.04553	13.3
136.05322	4.8
137.06082	2.0
139.07698	0.9
147.08134	1.6
148.05301	6.3
149.06082	33.8
150.06888	14.6
151.07648	18.9
153.05589	1.9
153.09172	1.3
157.06552	3.4
160.05260	0.9
161.02399	1.2
161.06076	8.0
161.09703	2.0
162.06880	7.6
163.07619	6.9
164.08415	3.5
165.09010	1.0
173.09709	10.3
174.06802	0.9
175.07631	6.6
176.08420	57.7
177.05534	0.8
177.09158	8.8
178.09982	6.5
179.10754	10.9
187.07616	2.1
189.09201	2.6
190.09985	16.3
191.10770	67.4
192.11157	3.4
193.08583	0.8
195.10246	0.8
205.08667	7.6
206.09387	1.6
216.11491	0.9
231.11809	0.7
231.13838	4.1
232.14618	1.8
234.12602	3.8
235.13295	0.9
247.13364	2.2
248.14182	1.1
249.03195	2.2
249.07816	9.5
249.14919	83.7
250.15167	5.4
263.12640	1.5
267.07193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.2
59.01365	0.6
71.52429	0.9
73.02945	0.7
85.02972	0.5
96.82265	0.5
97.02950	0.7
105.07127	0.6
107.05010	1.0
109.02946	1.1
111.00854	1.0
121.01178	0.6
121.02953	0.7
121.06589	1.5
122.03742	27.8
123.04555	0.9
125.06105	0.6
134.03738	10.1
135.04538	8.5
136.05264	1.6
137.05952	0.6
147.08182	0.8
148.05322	2.9
149.06079	43.7
150.06876	10.0
151.07632	4.7
159.08200	0.6
161.06081	1.7
162.06862	14.0
163.07631	2.9
165.05582	1.3
174.06865	1.2
175.07686	1.3
176.08401	1.8
177.09189	2.0
179.10756	0.6
187.11192	1.5
189.09109	2.9
191.10727	2.0
201.09222	1.5
204.11528	2.2
205.12338	1.6
207.13974	0.9
216.11536	9.8
217.12015	1.1
219.13892	13.6
220.14297	0.8
231.10400	1.1
231.13882	18.8
232.14349	1.7
233.11880	0.8
234.12621	5.0
247.13341	0.8
248.14108	0.6
248.28238	0.5
249.07695	2.2
249.14944	100.0
250.15204	6.7
251.82368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.1
59.01387	1.3
70.74377	1.5
70.74737	2.3
83.05026	11.9
93.03448	0.9
95.05042	0.9
107.05056	2.4
111.00865	1.4
119.05039	3.2
119.08669	3.1
121.06602	6.0
122.03735	16.3
123.88292	0.9
133.06543	2.7
134.03749	6.4
135.04498	3.8
135.08182	7.7
137.09724	2.5
139.07661	1.8
146.07367	4.4
147.08109	1.4
148.05257	1.8
148.96272	0.9
149.06085	29.3
150.06581	2.9
151.07628	3.3
154.02725	1.0
157.06636	1.1
157.48984	1.0
161.06067	2.1
161.09703	1.5
162.06873	6.9
163.07639	2.7
164.08362	1.1
164.36731	0.8
173.09700	4.5
175.07646	1.8
176.08424	6.3
177.09225	2.6
178.06407	1.8
179.10687	1.9
181.08714	3.5
187.07600	1.1
187.11269	2.9
189.09079	1.3
189.12810	1.1
190.09979	6.0
191.10774	81.4
192.11111	2.9
201.12801	1.8
205.08728	5.1
205.12262	2.6
205.16000	2.6
213.12965	1.1
217.12408	1.1
219.13844	9.5
231.10181	1.7
231.13858	8.2
234.12532	1.2
247.13374	25.1
248.13713	1.2
248.21599	0.9
249.11551	4.4
249.14941	100.0
250.15259	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	249.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
59.30277	0.5
68.12541	0.4
79.95728	0.5
81.03481	0.5
81.07106	0.8
83.05039	0.5
85.02951	0.9
86.28658	0.4
89.63078	0.5
94.20515	0.5
96.96014	1.9
97.02925	0.6
107.05025	0.5
108.02184	0.7
109.02961	1.0
111.00882	0.6
121.02926	0.5
121.06593	0.9
122.03739	33.8
123.03994	0.5
123.04536	0.5
134.03735	10.4
135.04558	10.0
135.08170	0.6
136.05353	3.2
137.06056	1.1
148.05276	5.5
149.06076	45.3
150.06818	10.5
151.07674	6.2
157.06628	0.5
161.06070	3.6
161.09741	0.6
162.06865	12.6
163.07642	3.2
164.08252	0.4
165.09189	0.7
173.09700	1.0
174.06860	0.9
175.07700	2.6
176.08420	33.8
177.09070	2.7
178.09976	0.9
179.10788	1.2
180.11182	0.6
189.09155	3.2
190.09726	4.6
191.10774	38.6
192.11115	1.4
193.08598	0.5
204.11536	1.2
205.08669	2.3
205.12286	0.9
216.11546	7.3
216.25943	0.5
217.12311	0.6
219.13895	10.0
220.14227	0.8
231.13872	16.0
232.14412	1.2
234.12608	4.5
247.13350	1.0
248.14230	0.7
249.08038	6.3
249.14914	100.0
250.15291	6.6
261.04681	0.6
263.12830	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1496
Annotation	Sch 601254
Peak:m/z	Relative Intensity
55.11228	0.3
56.03639	0.3
57.03449	0.6
61.98828	0.5
69.94580	1.0
73.31818	0.3
79.05543	0.6
79.95690	0.4
94.01208	0.3
102.68043	0.3
104.88629	0.3
107.08679	1.5
119.08637	0.9
122.03728	1.5
135.08141	0.5
143.81212	0.4
149.06044	1.5
150.06682	0.4
151.07600	0.3
161.09734	0.4
162.06860	0.4
176.08342	0.4
187.14900	1.1
189.12793	0.6
191.10806	0.8
203.14456	1.4
205.12234	0.4
205.15985	0.7
219.13879	14.1
220.14297	1.0
231.13905	1.1
247.13492	0.5
249.14940	100.0
250.15289	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	249.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01359	0.4
62.51900	0.3
65.27928	0.3
67.46484	0.4
69.20589	3.4
85.02938	0.4
96.96027	0.7
99.04488	0.5
107.05020	0.8
109.02934	1.0
111.00919	0.3
121.00624	0.3
121.02988	0.5
121.06548	1.0
122.03737	25.1
125.06094	0.4
134.03741	7.8
135.04533	9.3
136.05255	1.3
137.06068	0.8
148.05287	3.2
149.06076	39.5
150.06882	10.8
151.07652	5.3
161.06110	1.6
162.06853	12.4
163.07561	2.2
164.08424	0.4
165.05487	0.4
167.10716	0.4
173.06126	0.3
174.06837	0.8
175.07642	1.2
176.08357	0.7
177.01852	0.4
177.09225	0.9
179.10887	0.3
189.09186	1.8
190.09927	0.5
191.10777	1.8
201.09184	1.1
201.12872	0.6
204.11540	2.3
205.12256	1.0
216.11539	9.4
217.12003	0.7
218.13091	0.5
219.13885	14.1
220.14270	0.8
231.13890	17.0
232.14233	1.2
233.11865	0.7
234.12602	4.6
235.13106	0.4
245.11835	1.0
247.13324	0.9
248.14130	1.0
249.08122	3.4
249.14928	100.0
250.15276	4.7
263.12827	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1132
Annotation	Illioliganone A
Peak:m/z	Relative Intensity
57.03448	25.5
59.01372	4.4
69.03455	6.9
70.13062	3.3
71.05013	2.6
73.02950	1.4
77.34706	0.9
79.05517	5.6
80.02679	1.2
80.92095	1.1
81.03455	5.3
83.05023	5.2
88.81895	1.0
91.05534	3.9
93.03429	1.9
93.07082	2.8
95.01377	1.3
95.05025	17.6
97.02950	26.8
97.06583	3.0
98.03802	1.1
99.04477	1.5
105.07117	3.2
106.04241	2.2
107.05025	9.4
107.08656	17.9
107.86065	0.9
108.02194	6.8
108.08904	0.9
109.02919	2.4
109.06600	3.8
109.63228	0.9
111.04519	11.3
113.06082	14.6
115.03989	2.0
118.61639	0.9
119.05009	1.8
121.01201	2.7
121.06596	2.8
121.10232	1.9
122.03746	8.9
123.04525	58.2
123.08109	1.2
124.04878	1.4
125.06078	4.3
131.08621	0.9
133.06598	4.4
133.10246	2.1
134.03740	2.0
135.04497	1.4
135.08165	9.7
136.05281	1.5
137.06100	7.6
139.07675	1.8
145.06566	1.4
145.10226	3.6
147.08160	9.3
149.06070	3.6
149.09734	1.6
151.07643	3.1
157.06613	1.4
159.02798	1.0
159.08110	1.2
161.06145	1.2
161.09816	2.9
161.13388	2.5
163.11266	9.6
169.10229	6.9
171.08159	2.9
172.08980	1.6
173.06038	1.7
175.05934	1.7
175.07594	1.7
176.08441	1.4
177.09183	2.8
178.06511	1.2
185.09674	3.3
187.09615	2.1
187.11292	38.1
188.11649	2.8
189.09213	3.7
191.07101	1.4
193.08624	0.9
203.10783	3.2
205.08574	1.3
205.12337	30.4
206.12698	1.4
213.09206	4.3
231.10246	20.1
249.11334	100.0
249.14938	10.8
250.11682	6.6
250.14198	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	249.1131
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
51.38091	2.3
57.03447	11.3
59.01377	8.3
69.03429	2.4
69.19363	22.7
70.18028	2.0
71.01380	8.6
73.02940	18.3
79.00307	2.3
79.05532	5.6
81.03436	4.3
85.02959	4.8
87.04504	3.5
92.99801	3.0
93.03476	3.2
95.05029	3.7
98.20670	5.5
101.06102	3.7
105.07107	5.0
106.04199	2.7
107.05032	38.5
117.03451	2.3
117.07117	3.4
119.05017	12.4
121.06590	5.5
122.03713	8.0
129.07100	5.6
131.05064	2.5
131.08643	3.5
133.06590	6.6
135.04530	3.3
135.08173	23.2
139.07651	7.6
145.06578	9.0
147.08163	35.3
149.06105	38.6
156.05792	5.5
157.06584	32.0
159.08163	100.0
160.08453	5.5
161.06075	5.7
162.06750	2.8
163.11276	5.1
171.08141	10.1
173.06010	3.8
173.09709	2.9
175.07626	8.6
175.11253	3.6
176.08328	3.6
177.09219	17.8
183.08156	6.3
185.06165	2.5
185.09721	4.1
187.11313	15.9
189.09227	6.6
197.06071	4.6
198.06868	31.2
201.09187	8.7
205.08607	5.0
205.12354	18.4
213.09212	90.1
216.07997	4.7
219.10271	21.9
231.10272	30.6
249.07536	4.9
249.11259	33.5
249.14935	42.7
250.11739	3.2
250.14575	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	249.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	36.5
61.98821	1.0
69.03472	0.8
71.01388	0.4
71.05386	0.4
71.05719	1.0
73.02955	2.1
79.95723	0.5
80.96515	0.6
87.00872	0.5
94.67371	0.4
96.96014	1.6
106.99568	0.4
117.05577	100.0
118.05219	0.4
118.05891	2.2
119.05344	0.5
131.03484	0.5
137.79610	0.4
149.02414	0.4
149.04619	0.5
152.01189	0.4
161.06367	1.1
167.03389	0.5
204.04216	1.0
214.84337	0.4
219.06610	0.5
231.34181	0.4
249.04376	1.3
249.07712	1.3
249.09839	2.9
249.15018	1.1
250.14470	3.4
260.90790	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00010	1.2
57.03446	4.4
58.67208	1.0
59.01366	2.0
69.03447	2.3
69.53950	8.7
72.17513	1.3
76.74180	1.1
95.05011	2.6
97.02946	2.3
99.16882	1.5
107.08675	2.4
109.06595	1.4
111.04512	1.5
113.06092	2.1
122.03745	4.6
123.04549	5.9
127.07629	5.5
133.10205	2.3
149.09711	1.3
151.07600	1.5
151.11263	2.7
167.06853	2.0
177.09200	1.8
179.10706	2.5
181.12338	26.9
182.12759	2.0
183.13829	1.4
185.05936	1.3
185.09569	1.2
187.11305	3.7
189.08948	2.0
190.80644	1.2
191.10724	2.3
195.83731	1.4
199.07385	3.2
201.08977	4.5
203.10530	19.5
205.08580	1.9
205.12282	7.1
205.15897	3.2
208.11020	3.8
215.06943	1.5
217.08430	5.2
219.10022	8.4
221.11652	6.0
223.13144	100.0
224.13513	4.2
231.10268	1.3
233.07922	7.0
235.09486	15.5
237.11070	55.9
238.11305	1.9
247.13593	1.2
249.11101	92.8
249.14812	9.8
250.11450	5.3
250.14510	2.0
265.10529	5.9
267.12119	55.4
268.12448	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	248.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43264	0.3
57.03453	0.5
67.25400	0.5
69.03459	1.0
70.05944	1.9
105.07061	0.5
107.05032	1.8
112.98571	0.6
121.06599	1.9
122.03736	3.6
134.03738	17.0
135.04529	26.6
135.08189	0.5
136.04877	0.8
148.04315	0.3
148.05304	19.3
149.06078	62.6
150.06877	21.7
151.07315	0.8
161.06117	0.9
162.06815	1.6
163.07645	7.8
167.10692	0.4
173.06148	0.5
175.07417	0.5
176.08415	0.7
176.99356	0.4
183.59221	0.4
189.09212	6.8
190.09563	0.8
191.04518	0.4
191.10797	0.9
197.09633	0.6
211.11484	0.6
216.11433	0.5
219.13919	0.5
231.13963	0.8
233.11720	0.8
238.68394	0.4
248.14162	100.0
248.97391	0.6
249.11862	0.8
249.14717	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	248.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60154	0.5
58.46889	0.6
77.01200	0.7
77.01620	0.7
83.05041	1.8
83.50968	0.6
90.03030	0.6
106.04298	0.7
107.04989	1.1
109.02933	1.0
110.23487	0.6
121.06611	3.2
122.03745	2.6
123.20946	0.6
131.02492	0.7
133.06569	2.3
134.03735	37.2
135.04559	7.1
135.08104	0.7
146.03691	0.7
148.05304	11.6
149.06071	100.0
150.06586	5.4
151.04066	0.6
159.04503	1.3
160.05275	1.2
161.06073	3.6
162.06825	2.5
163.03993	0.8
163.07611	2.3
169.05969	0.8
173.06062	2.2
174.06866	1.5
175.07547	2.7
177.05597	1.5
177.09114	1.1
184.00128	6.1
184.50298	0.9
189.09203	72.8
190.09547	3.9
191.10771	1.1
205.12376	0.8
228.95088	0.7
233.11711	1.9
241.03300	0.6
248.08253	4.4
248.14145	83.1
249.14577	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	247.1702
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
69.52452	0.5
69.52866	0.9
113.84154	0.2
122.03723	0.3
134.03720	0.4
135.04535	0.4
136.50317	0.2
138.11279	0.2
145.85780	0.2
148.05302	0.4
149.06116	1.3
151.07538	0.3
162.61380	0.2
163.07701	0.2
184.00189	0.4
189.09238	0.3
195.78918	0.2
205.15926	0.3
220.17087	0.3
225.38907	0.2
231.13828	0.6
247.17010	100.0
248.14211	1.5
248.17352	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	248.04
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30003	2.2
58.97823	1.7
59.01371	7.6
61.98838	3.9
63.29633	1.9
68.99570	98.2
71.01380	3.4
71.50358	3.0
72.99306	1.9
87.00851	2.5
91.04372	1.8
92.96004	7.2
93.03462	2.0
96.04599	2.4
96.95981	3.5
101.02443	1.7
112.98569	100.0
115.00391	2.5
117.05534	9.2
130.08745	31.0
134.04713	3.5
144.95573	2.2
147.96600	1.9
150.05624	3.0
162.94746	2.3
173.04521	5.5
188.92731	7.2
194.48103	1.9
194.92953	1.9
204.02820	11.9
206.04391	26.4
236.04123	2.4
248.05470	99.4
248.57928	1.9
249.05681	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	247.1339
Annotation	Parthenolide
Peak:m/z	Relative Intensity
52.97002	0.7
55.71815	0.8
57.03439	2.3
67.17078	0.7
71.29230	1.2
79.05534	0.7
83.05013	1.3
94.80141	0.7
105.07043	0.9
107.05021	2.0
109.06583	1.0
110.51344	0.8
121.06612	5.9
122.03719	2.0
123.04537	2.1
123.08154	1.5
133.06619	1.7
134.03728	1.9
148.05293	1.6
149.06076	5.7
149.09682	1.2
150.06857	1.3
159.08144	0.7
163.07623	1.5
169.10222	1.4
174.06956	0.7
175.11151	0.8
177.09171	1.0
183.11864	1.1
185.09682	1.7
185.13339	5.0
187.07626	1.3
187.11259	1.0
189.09164	3.4
199.11195	0.8
201.12933	1.2
203.07188	0.9
203.10760	2.5
203.14381	7.0
214.09970	0.9
217.12453	1.2
219.06538	0.8
229.12321	14.7
230.12750	1.1
247.09569	3.1
247.13376	100.0
248.13864	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	247.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15084	0.7
56.62281	0.8
57.03448	14.4
59.01379	1.7
69.03442	2.1
71.36353	0.8
71.52548	1.2
79.05517	1.4
81.03446	1.6
81.83622	0.8
83.05019	2.6
86.62802	0.8
90.34216	0.9
91.05531	1.4
95.05004	1.3
97.02940	2.1
97.06590	0.9
99.04543	1.0
105.07084	2.8
107.05029	2.1
108.02189	0.9
109.02929	1.6
109.06607	1.2
111.04494	1.3
111.08157	0.8
119.05039	1.3
121.02988	0.9
121.06595	9.3
122.03753	10.2
123.04552	5.6
125.06085	2.4
133.06586	3.8
134.03769	1.6
135.04518	4.5
136.05292	1.7
137.06050	2.2
143.08559	1.1
145.06557	4.5
147.04575	0.9
147.08173	1.6
148.05272	2.8
149.06068	15.6
150.06825	2.3
151.07648	7.0
157.06674	1.1
159.04497	2.9
159.08159	2.7
160.05299	1.2
161.06076	2.8
161.09717	7.6
162.06841	2.8
163.07658	6.8
171.08122	1.4
172.05348	1.5
173.06061	2.3
174.06842	12.5
175.07599	5.9
175.11250	2.9
177.05455	1.0
177.09239	4.4
185.09680	6.0
185.13387	1.3
187.07596	5.8
188.08398	3.5
189.09212	44.1
190.09645	3.8
191.10767	2.3
199.07706	1.4
201.09212	2.2
201.12881	4.8
202.10008	1.0
203.07120	2.2
203.10793	12.3
203.14398	4.3
205.08743	3.2
211.11224	1.7
213.09300	1.1
214.09995	3.2
215.10608	1.3
217.08650	1.1
217.12320	2.8
219.10329	1.0
229.08778	1.7
229.12334	23.5
230.12851	2.6
232.11034	3.0
245.11729	1.0
247.09775	18.5
247.13385	100.0
248.09935	1.3
248.13841	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	247.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08216	0.7
53.70351	0.6
54.69000	0.8
57.03440	1.0
67.01885	2.3
70.24198	1.7
70.24581	1.1
83.05029	1.1
93.03455	1.5
93.07127	1.0
95.05032	8.3
97.87812	0.6
107.05049	2.0
111.00894	7.8
113.68769	0.7
118.90175	0.8
119.04977	1.4
120.05801	1.6
121.06593	2.3
124.95280	0.8
133.06595	8.3
134.07384	0.8
135.08165	12.7
149.06059	2.6
149.09666	3.5
159.08217	1.0
161.09642	1.0
161.13394	1.1
162.28903	0.6
163.04126	0.9
178.06355	8.1
185.13324	5.5
187.11246	1.7
201.12863	5.1
203.14400	20.0
204.14729	1.1
205.37250	0.7
214.39465	0.7
247.13383	100.0
248.13765	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	247.1339
Annotation	Emmotin F
Peak:m/z	Relative Intensity
57.03442	4.0
65.03919	1.8
65.92616	1.5
68.12313	1.5
69.20064	7.9
69.20482	4.8
71.01383	1.6
71.05024	3.2
79.05514	2.5
83.04986	2.0
93.03451	2.5
95.04955	1.6
97.06602	6.4
98.19910	2.5
105.07117	1.5
107.05032	3.6
108.02184	2.2
109.02944	2.8
111.00903	2.5
111.04524	1.8
117.07069	2.1
119.05032	2.5
121.02940	2.1
121.06607	6.8
122.03733	19.1
123.04538	2.4
133.06590	2.7
134.03741	30.6
135.04536	17.3
137.06007	1.4
143.05046	1.4
145.02937	8.7
145.06570	3.1
145.10219	2.2
146.03712	3.5
147.04507	6.7
147.08150	2.7
148.05304	30.7
149.06082	88.5
150.06709	4.4
151.07619	2.8
156.05843	2.0
158.03761	8.4
159.04504	33.6
160.05296	16.5
161.06070	17.1
161.09712	9.1
162.06853	18.1
163.04005	2.3
163.07698	6.3
170.07399	2.2
171.08153	37.3
172.05254	5.1
172.08435	2.0
173.06081	21.2
174.06854	100.0
175.07492	7.5
176.08400	8.7
177.09210	18.0
184.00188	6.5
185.06009	1.6
185.09723	1.7
186.06898	1.9
187.03999	2.8
187.07619	2.6
188.08374	11.1
189.09209	97.0
190.09547	4.5
190.45540	1.4
191.10637	2.3
192.04314	4.3
199.07616	1.9
203.07074	3.6
203.10826	8.5
203.14374	1.7
204.07925	2.4
204.11212	1.5
211.11349	2.3
213.09135	4.4
213.55888	1.2
214.09932	4.9
219.13934	1.6
229.12334	7.3
232.10992	14.2
233.11697	2.2
242.62424	1.5
247.09575	3.1
247.13377	87.3
248.08060	6.0
248.14095	31.4
261.11157	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	247.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84203	1.3
57.03447	32.0
59.01363	2.8
65.03976	1.5
69.03436	3.8
69.36902	6.8
69.37325	3.3
81.03444	2.6
83.05029	4.8
85.02984	3.0
87.59875	1.3
91.05553	4.0
93.03459	3.8
95.05017	7.2
97.02953	5.3
99.04519	1.4
105.07099	6.7
106.04243	3.2
107.05023	4.3
108.02159	1.5
109.02966	2.3
109.06589	2.2
111.04522	4.5
119.05066	2.5
119.08688	1.2
119.98418	1.2
121.06590	26.9
122.03757	7.8
123.04487	7.3
123.08184	1.8
127.81139	1.2
133.06625	7.6
134.03716	1.6
135.04492	3.2
135.08113	1.8
136.05269	1.6
136.99554	1.5
137.06076	2.9
139.61844	1.2
143.08699	2.5
145.06607	13.0
146.07155	1.6
147.04492	4.2
147.08145	2.6
148.05304	3.6
149.06076	11.6
150.06848	1.5
151.07674	1.8
157.06667	2.3
159.04504	5.2
159.08124	5.9
161.06104	6.0
161.09714	18.1
162.06825	2.7
163.07648	14.9
170.07368	1.5
171.08151	5.9
172.05276	5.8
173.06068	5.0
174.06847	27.5
175.07643	7.2
175.11273	2.8
177.09070	2.4
185.09697	12.2
185.13319	2.8
186.06885	2.3
187.07655	17.3
187.11253	3.1
188.08369	5.8
189.05588	3.6
189.09200	100.0
190.09515	5.6
199.07664	3.0
199.11209	1.4
201.09271	3.1
201.12827	5.4
202.09937	4.4
203.07147	1.8
203.08983	2.4
203.10773	29.8
203.14410	17.4
204.11229	2.2
205.08742	8.2
211.11249	7.6
213.09299	2.6
214.09944	10.4
215.10715	1.8
216.11519	1.6
217.12440	3.4
219.13968	2.3
227.10651	1.7
229.08829	2.4
229.12317	38.5
230.12976	1.8
232.10933	1.7
247.09732	31.8
247.13371	93.1
248.09988	2.2
248.13823	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	247.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03163	0.7
57.03448	12.4
59.01384	3.0
62.14385	0.6
65.03954	2.5
65.10587	0.7
67.01869	0.7
69.03458	4.7
69.35855	5.5
71.01362	0.8
71.05019	0.8
79.05533	1.7
81.03457	2.7
81.82710	0.6
83.01392	1.8
83.05026	3.6
85.02934	1.4
86.19239	0.7
88.55585	0.6
91.05525	2.8
93.03459	3.7
93.07119	1.4
95.01376	1.8
95.05064	3.4
96.02169	0.8
97.02962	5.9
97.06558	1.1
98.20606	1.3
99.04527	1.3
105.07090	7.9
106.04240	2.9
107.05024	4.8
108.02164	1.2
109.02938	1.6
109.06580	6.2
111.04515	3.6
119.05019	2.4
119.08668	3.4
120.05756	1.3
121.02952	1.3
121.06594	45.1
121.10226	1.9
122.03721	1.5
122.06985	1.3
123.04524	5.5
123.08171	8.4
125.06102	2.2
130.04231	1.0
131.04987	1.2
131.08664	1.0
132.05740	0.8
133.06593	12.7
133.10275	0.7
134.03723	1.2
135.04503	2.0
135.08130	2.9
137.06081	2.9
143.08627	1.3
145.06590	9.9
146.07361	1.4
147.04568	1.4
147.08151	2.3
148.05296	1.7
149.06078	9.6
149.09660	3.1
151.04033	1.2
151.07637	3.6
157.06573	1.3
159.04553	0.9
159.08136	3.1
160.05167	0.7
161.06081	4.4
161.09717	17.7
162.06837	1.5
162.10158	0.7
163.07646	12.2
170.07347	1.2
171.08197	0.7
173.06068	2.1
173.09702	1.0
174.06795	1.8
175.07593	2.7
175.11340	0.8
177.05576	1.2
177.09219	2.5
183.08115	0.7
185.06059	0.8
185.09723	10.8
185.13319	3.2
186.10095	0.9
187.07617	5.6
187.11246	2.0
188.08408	2.5
189.05560	2.3
189.09212	4.5
190.06340	0.8
191.07092	1.3
199.07669	0.7
201.09196	1.7
201.12878	1.8
203.07158	0.8
203.10786	28.7
203.14391	57.0
204.11131	1.6
204.14709	2.7
205.08716	7.3
217.12349	1.0
219.10313	0.8
229.08604	2.2
229.12323	5.8
245.11815	2.8
247.09731	33.1
247.13365	100.0
248.10028	1.5
248.13744	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	247.0974
Annotation	Nigerapyrone D
Peak:m/z	Relative Intensity
55.01882	2.3
57.03189	3.1
57.03445	31.1
59.01369	11.2
61.89923	2.0
65.03963	5.1
65.09792	2.1
67.23191	2.3
69.03447	8.5
70.71850	3.5
70.72225	4.5
79.05540	4.0
81.03455	9.4
83.01387	5.3
83.05017	9.1
85.02930	4.4
91.05536	7.8
93.03468	10.1
95.01395	4.8
95.05033	6.2
96.02176	3.9
97.02946	18.8
99.04525	4.7
105.07101	21.9
106.04242	7.0
107.05016	5.3
108.02162	3.0
108.81213	2.1
109.02948	8.2
109.06593	5.8
111.04521	9.9
113.02406	2.2
119.04999	8.7
119.08624	5.0
121.06602	64.8
122.03750	3.3
122.06918	2.7
123.04505	20.1
130.04338	2.2
131.04951	1.8
132.05780	2.4
132.81712	1.9
133.06595	16.8
135.04503	6.9
135.08199	3.7
137.06067	7.7
143.08646	4.4
145.06602	38.6
146.07344	3.1
147.08171	5.0
148.05266	4.9
149.06058	14.2
157.06621	3.9
159.08168	12.7
161.06116	13.0
161.09708	56.9
162.06850	4.9
163.07648	48.4
170.07391	3.6
173.06122	3.8
174.06837	4.4
175.07646	7.0
176.04732	2.4
177.05547	4.2
177.09230	3.0
185.09732	28.8
186.10004	2.4
187.07591	17.3
188.08379	7.0
189.05568	5.7
189.09204	8.5
191.07053	2.9
199.07614	2.6
201.09270	4.5
203.07158	3.3
203.10773	96.7
204.07933	3.3
204.11078	4.8
205.08676	23.8
219.10031	2.1
229.08690	5.3
229.12334	2.8
247.09750	100.0
247.13510	6.6
248.10092	4.2
264.17645	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	247.0973
Annotation	Nigerapyrone D
Peak:m/z	Relative Intensity
51.35992	1.9
53.77628	2.1
57.03442	36.7
59.01386	11.2
65.03956	4.7
69.03443	9.5
69.32589	1.9
69.33134	17.0
79.05534	3.4
81.03461	7.5
83.01391	6.2
83.05016	7.1
85.02933	6.4
87.54423	2.1
89.49753	2.4
91.05526	9.5
93.03453	9.6
93.07076	4.3
95.01370	4.4
95.05006	4.3
96.02216	3.0
97.02942	17.0
99.04527	3.8
105.07086	19.9
106.04249	4.3
107.05003	6.6
108.02184	3.3
109.02927	6.4
109.06596	3.9
111.04488	8.5
113.36382	2.0
119.05014	6.5
119.08635	5.7
121.03008	2.5
121.05717	3.9
121.06590	64.7
122.06898	2.4
123.04516	20.4
125.02409	2.2
125.06060	5.9
131.05011	2.5
133.06599	17.7
135.04475	6.7
135.08192	2.8
137.06084	6.3
145.06586	33.5
146.07045	2.0
147.04501	3.4
147.08061	3.0
148.05275	8.7
149.06068	18.4
151.04012	2.9
159.06940	2.3
159.08113	11.4
161.06059	12.6
161.08340	3.1
161.09702	52.7
162.06958	2.1
163.07626	39.2
170.07272	3.2
173.06062	3.8
175.03859	2.7
175.07613	3.9
177.09167	4.3
185.06111	2.7
185.09712	29.1
187.07596	17.6
188.08383	5.0
189.05579	9.3
191.07127	3.4
201.09261	5.0
203.10771	86.9
204.07915	2.5
204.11086	4.6
205.08659	20.7
229.08691	8.3
247.09735	100.0
247.13548	6.8
248.10023	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	245.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14934	0.5
52.57385	0.5
53.98200	0.5
54.16545	0.5
54.38013	0.4
57.03423	1.6
59.01378	43.4
60.01712	0.6
66.20580	0.5
70.28402	1.8
71.05019	3.1
77.09991	0.6
78.90758	0.5
94.38351	0.5
99.08131	0.6
102.24992	0.5
127.11275	4.9
139.11278	1.6
142.06660	0.5
152.44139	0.5
154.31114	0.5
155.10788	2.6
157.12337	21.1
158.12643	0.6
185.11816	13.6
186.12239	0.8
203.12880	100.0
204.13205	4.7
245.04674	0.6
245.13988	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	245.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94149	0.4
59.01380	43.6
69.52567	2.3
127.11293	4.8
139.11298	2.0
155.10791	2.2
157.12337	20.3
157.13673	0.4
185.10492	0.4
185.11821	15.6
203.12878	100.0
204.13242	4.2
228.81763	0.5
245.13988	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	246.9917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.4
70.79763	0.7
70.80103	0.4
79.95734	0.6
87.23539	0.3
87.45033	0.3
88.84415	0.3
96.96006	7.8
98.95597	0.8
115.03996	0.6
124.01652	1.2
152.01149	98.5
153.01494	2.9
158.64209	0.3
160.52757	0.3
167.03488	100.0
168.03809	3.7
183.33737	0.3
246.99156	15.7
247.02716	1.2
247.99425	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70305	4.1
54.22263	4.0
57.03437	6.4
59.01376	18.9
59.45511	3.5
67.11960	3.6
68.99571	5.8
71.01382	22.3
72.99299	11.1
73.02940	12.7
74.02475	4.7
85.02959	14.9
87.00847	8.7
88.04039	10.3
89.02454	28.5
91.72778	3.9
96.96000	16.3
98.95537	5.6
99.00896	6.7
101.02439	12.0
103.03996	5.2
111.02010	9.2
112.98637	3.6
118.03895	3.5
119.03486	4.3
132.03047	9.0
133.03375	7.4
136.93994	4.3
141.07481	5.6
147.20720	3.8
149.04553	100.0
150.05598	4.0
152.95932	7.1
159.08528	13.0
168.06628	4.4
170.96992	9.7
224.40710	4.4
230.00967	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	247.0973
Annotation	Nigerapyrone D
Peak:m/z	Relative Intensity
55.01869	1.8
57.03197	2.6
57.03450	27.5
59.01374	8.6
59.29718	1.5
60.31353	1.3
65.03951	5.3
69.03452	4.6
69.78997	8.7
79.05522	6.6
81.03459	8.0
83.01390	4.6
83.05019	6.8
85.02976	3.5
91.05550	9.7
93.03459	9.8
93.07095	2.2
95.01405	1.7
95.05019	5.7
96.02180	3.9
97.02943	18.6
99.04509	4.1
105.07090	19.9
106.04234	4.5
107.05027	5.7
108.02186	3.5
109.02955	8.2
109.06542	2.0
111.04505	7.7
115.89812	1.5
117.07157	1.9
119.05013	5.1
119.08680	4.6
120.05773	2.5
121.06600	56.4
122.03708	3.2
122.06958	1.9
123.04527	13.1
130.04219	1.7
131.05006	1.9
133.06584	18.2
134.03706	2.6
134.06956	1.7
135.04495	5.8
135.08188	2.6
137.06059	5.0
143.08630	3.0
145.02977	1.8
145.06601	32.0
146.07376	3.4
147.04491	2.6
147.08173	5.5
148.05275	6.9
149.06079	18.5
151.04025	1.8
151.07700	2.9
157.06584	2.4
159.04457	2.1
159.08136	10.4
161.06090	12.9
161.09723	47.0
162.06825	3.9
162.10040	2.1
163.07646	36.4
169.06671	1.9
170.07341	8.5
172.05299	1.5
173.05978	3.0
175.07579	8.5
177.05571	7.1
177.09154	3.0
183.08156	2.1
185.09702	95.5
186.10088	2.5
187.07637	17.5
188.08391	6.3
189.05569	9.2
189.09317	1.9
190.06316	4.1
201.09238	3.4
203.07152	4.3
203.10765	86.7
204.07909	4.3
204.11064	5.2
205.08702	25.9
229.08656	13.0
247.09752	100.0
247.13669	4.9
248.10051	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	245.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.0
59.01369	0.7
61.98824	1.5
62.93180	0.4
68.99783	0.6
70.38106	1.1
70.38499	1.1
83.05017	1.4
93.03465	0.6
97.02959	0.6
98.20039	0.5
108.02145	0.9
109.02945	2.0
112.01684	0.5
119.04999	0.5
122.03750	3.8
123.04526	1.3
131.05014	5.7
132.02199	0.5
134.03737	0.6
135.04535	3.4
136.05289	7.4
137.02374	0.5
146.03743	4.1
147.04517	16.7
148.05223	2.1
149.06082	2.9
157.06514	0.7
159.04485	1.4
159.08090	1.3
160.05327	2.8
160.06496	0.5
161.02556	0.7
161.06033	2.0
162.74120	0.4
163.03992	5.5
173.06070	3.8
174.06920	0.6
175.03952	1.0
175.07651	2.4
177.01924	0.8
185.06065	7.4
186.06625	1.0
187.07637	2.2
188.08295	0.6
189.09149	2.4
197.09680	0.5
199.07603	0.8
200.08412	1.0
201.05612	1.1
201.09177	1.4
201.12839	1.0
203.07123	0.8
211.07658	0.5
212.08427	3.3
213.09181	1.7
214.09888	0.7
215.10796	3.6
216.11261	0.7
217.08618	0.6
217.12282	1.3
226.09909	2.2
227.07173	0.7
227.10757	9.2
228.11195	0.7
230.09486	1.3
241.08778	0.7
243.10243	10.9
244.10635	1.2
245.11806	100.0
246.12163	7.0
246.17560	0.5
251.00908	0.5
262.56784	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.8
58.00583	8.1
59.01379	20.8
68.67496	1.3
68.99834	1.8
70.39247	2.9
70.39611	2.8
71.01392	13.6
72.02173	3.8
72.99315	3.1
73.02956	1.9
81.07092	2.1
83.05039	1.6
87.00873	11.7
89.02441	8.4
95.05013	4.2
96.96021	16.1
97.06580	16.7
99.00890	1.6
99.04513	1.8
99.08150	12.0
101.02432	2.8
105.01917	2.6
108.02185	2.2
109.06618	3.7
111.08161	1.9
112.01735	1.8
125.06087	4.8
127.07652	100.0
128.08017	2.5
129.01981	3.2
129.09224	5.5
129.10149	1.3
130.08690	1.6
137.06082	8.1
139.07661	6.2
147.02954	3.4
155.07144	45.0
157.08690	4.4
165.05630	2.6
165.07544	1.5
167.07103	3.0
169.08636	1.9
179.96841	1.3
185.08206	6.9
245.10199	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	245.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22984	1.1
57.03431	1.8
59.01362	2.8
61.85867	1.0
61.98831	5.9
64.21990	1.0
66.04699	1.2
68.99813	1.1
71.53119	1.2
82.11690	1.0
83.01400	1.2
83.05038	2.2
96.96053	1.6
97.02978	1.4
99.92574	1.3
107.05035	1.7
109.02956	1.5
111.04523	45.5
121.06583	9.1
122.03721	1.4
123.04489	1.5
133.06567	2.4
135.04520	2.9
135.08163	11.1
143.05002	1.3
145.02925	1.2
145.06560	1.4
147.04552	2.9
147.08147	11.9
149.06075	4.9
149.86858	1.1
157.06612	6.8
158.03745	1.5
158.07127	1.2
159.04547	2.5
159.08105	6.2
161.06075	4.7
161.09621	1.5
171.08144	9.4
172.05281	1.4
173.06090	4.4
173.09718	2.5
173.13426	5.1
174.06853	4.4
175.03958	1.7
175.07649	3.0
183.11781	1.6
185.06013	2.0
185.09709	16.8
186.06885	2.3
186.10484	4.0
187.07681	5.9
189.09186	1.5
197.09616	1.3
199.07642	5.0
199.11255	21.9
201.05684	2.4
201.09288	5.5
201.12848	94.6
202.13184	6.0
203.07097	1.7
217.05058	1.3
217.08688	3.1
217.12320	20.9
218.12683	2.0
227.10724	3.1
230.06107	1.3
245.04610	6.3
245.08267	7.5
245.11823	100.0
245.89522	1.3
246.12366	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	245.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21369	1.2
57.03448	14.7
59.01375	4.7
61.57372	1.2
61.57961	1.4
65.03947	1.9
67.01891	9.0
68.99843	1.3
69.03450	16.1
70.17641	1.2
71.52087	1.8
72.43206	1.2
79.05505	6.4
81.03456	3.2
83.01374	1.7
85.02955	1.7
91.05529	11.8
93.03452	3.0
93.20770	1.5
93.92676	1.2
94.20882	1.5
95.01403	1.7
95.05032	2.6
97.02947	22.9
103.05483	1.9
105.07085	3.3
107.04988	7.5
109.02955	3.2
110.88610	1.2
111.04533	3.6
113.06087	3.0
115.05541	3.6
116.12125	1.6
117.03484	3.1
117.07101	5.9
119.05039	12.1
121.06612	1.7
123.04516	3.2
128.38509	1.5
129.07079	2.0
130.04243	3.6
131.05020	9.5
131.08672	5.0
133.02962	1.6
133.06592	28.0
134.03773	1.4
134.99669	1.5
135.04539	9.9
141.07077	7.0
143.05020	32.9
143.06104	2.7
144.05811	37.7
144.72383	1.4
145.02945	2.7
145.06517	3.1
146.03700	2.9
147.04507	28.7
147.08098	2.0
149.06056	5.6
155.08659	4.3
156.05792	3.4
157.06583	38.6
157.10196	1.5
158.03685	2.4
158.07277	4.3
159.04530	24.7
159.08151	100.0
160.05313	7.4
160.08510	2.7
161.06078	11.7
163.04031	2.3
167.05005	3.2
168.05719	1.9
171.04536	13.6
171.08116	3.1
172.05254	1.9
173.06027	8.6
173.09724	10.5
174.03200	1.7
175.04005	5.5
175.07634	43.4
181.06442	3.0
183.08128	33.4
184.05363	2.0
184.08478	2.4
185.06105	17.2
186.06836	30.0
187.04005	6.3
188.04773	4.7
189.05536	3.0
199.07637	10.2
201.05568	15.3
201.09203	64.8
202.06326	3.2
202.09628	2.0
203.07106	17.5
204.04387	1.7
212.04741	4.7
217.08673	11.5
221.66331	1.5
227.07118	16.6
229.04965	2.8
230.05821	9.6
231.06177	1.4
245.08162	80.9
246.08524	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	245.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	9.3
58.24419	1.3
59.01377	4.8
60.64813	1.2
65.03960	1.5
67.01885	11.2
69.03448	7.9
69.31378	3.0
69.31786	10.6
71.56817	1.2
73.13413	1.4
78.68324	1.3
79.05517	7.5
81.03441	2.8
83.01386	1.4
91.05531	10.2
93.03454	1.7
95.05019	3.2
97.02962	6.1
105.07092	4.3
107.05027	4.3
109.02905	2.5
115.05537	4.2
117.03477	2.4
117.07116	3.5
117.24094	1.5
119.05029	6.6
121.06586	1.8
129.07152	2.4
129.25282	1.3
130.04225	3.4
131.05022	7.6
131.08710	6.2
133.02940	2.1
133.06598	28.1
135.04498	5.9
141.07094	5.1
143.05016	29.6
144.05815	33.1
145.06519	2.2
147.04547	10.0
155.08636	4.2
156.05772	2.9
157.06575	34.8
158.03722	2.3
158.07274	5.1
159.04539	17.1
159.08148	100.0
160.05272	5.3
160.08475	4.2
161.06070	11.2
165.05566	1.6
167.05008	3.8
168.05803	2.9
171.04515	10.8
171.08148	2.6
172.05232	3.3
173.06039	6.6
173.09726	7.5
174.03249	2.2
175.04002	6.0
175.07637	37.4
176.08005	2.9
181.06578	3.1
183.06541	2.5
183.08144	33.7
185.06058	18.9
186.06868	24.2
187.04005	5.3
188.04770	4.8
189.05507	1.6
199.07591	5.6
199.13329	1.6
201.05559	13.2
201.09200	47.3
202.06308	4.3
202.09488	2.0
203.07114	16.8
212.04756	1.9
217.08696	2.5
227.07066	10.3
228.07443	1.8
245.04475	2.5
245.08189	39.3
245.11859	3.1
246.08383	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	245.0817
Annotation	Norpinguisanolide
Peak:m/z	Relative Intensity
56.18346	1.6
57.03446	9.5
67.01891	1.9
67.96779	1.2
69.03454	10.3
69.66357	1.2
70.61314	3.4
71.01385	2.2
72.20221	1.2
73.82231	1.2
79.05541	1.5
90.60258	1.2
91.05535	4.2
95.05019	1.2
97.02947	32.4
97.03579	1.6
103.05580	1.5
103.19696	1.3
107.05012	8.7
109.02918	1.5
111.04517	6.7
115.05494	1.4
117.07103	2.8
119.05029	6.9
121.06566	2.2
123.04498	6.0
130.04221	2.4
131.04996	4.0
131.08670	3.2
133.06606	10.7
135.04520	12.1
138.12074	1.3
141.07143	1.5
143.05037	13.0
144.05812	9.8
145.06577	1.8
146.03696	1.5
147.04520	32.7
147.08194	1.7
149.06061	5.8
156.05734	1.7
157.06558	12.9
158.03685	2.2
158.07346	2.5
159.04535	10.9
159.08148	41.0
160.05220	3.0
160.08531	2.1
161.02451	1.4
161.06035	5.6
170.41075	1.4
171.04533	11.4
172.05229	2.7
173.06030	4.1
173.09695	8.0
174.06815	1.5
175.03993	3.7
175.07617	14.0
183.08121	10.8
184.05284	3.5
185.06090	9.2
186.06834	17.3
187.03972	4.2
188.04803	4.1
189.05560	2.0
199.07689	6.1
201.05528	5.1
201.09213	39.0
202.06259	2.4
202.09554	2.2
203.07216	7.7
212.04773	5.7
217.08693	17.3
227.07135	13.1
229.04964	3.0
230.05841	19.5
245.08171	100.0
246.08450	5.0
254.23309	1.4
264.96075	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0817
Annotation	Norpinguisanolide
Peak:m/z	Relative Intensity
55.01879	1.6
57.03442	10.9
58.18031	1.2
59.01385	2.4
67.01884	3.9
69.03450	10.5
71.01350	1.3
71.52814	1.6
79.05512	4.0
88.24007	1.2
91.05544	6.8
95.01379	1.6
95.05041	1.6
96.13161	1.2
97.02946	27.9
105.07070	1.8
107.05025	5.6
108.02177	1.5
109.02955	3.6
111.04533	7.4
113.02435	1.4
113.06080	4.0
115.05534	2.0
117.03414	1.6
117.07098	2.4
119.05042	9.1
120.23396	1.5
121.06564	1.5
122.03704	2.8
123.04530	5.2
129.07079	1.9
130.04210	2.4
131.05013	5.3
131.08673	2.8
133.06563	12.5
135.04558	10.4
141.07106	2.2
143.05020	14.7
144.05800	14.2
145.06548	2.0
146.03679	2.0
147.04520	32.6
147.08141	1.9
149.06110	7.3
155.08723	2.0
157.06581	18.1
158.03728	2.2
158.07312	3.2
159.04524	16.4
159.08154	45.3
160.05232	3.2
160.08495	1.7
161.06087	5.7
171.04527	10.5
171.08083	2.2
172.05185	2.5
173.04666	1.5
173.06056	7.0
173.09705	7.1
175.04015	4.9
175.07640	19.7
181.06665	1.8
183.08157	12.9
184.05309	2.8
184.08430	1.6
185.06053	12.2
186.06871	20.0
187.04034	10.3
187.07521	2.4
188.04742	4.0
199.07600	6.5
201.05588	9.9
201.09204	43.3
202.06311	3.2
202.09593	2.5
203.07147	7.9
212.04727	8.0
215.05455	2.3
217.08727	13.1
227.07172	11.1
229.05098	2.9
230.05783	19.2
245.08177	100.0
245.11800	5.6
246.08514	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	245.0124
Annotation	3-(3-sulfooxyphenyl)propanoic Acid
Peak:m/z	Relative Intensity
52.29859	0.2
53.43727	0.2
61.74073	0.2
68.99810	1.0
69.79558	1.3
72.99308	1.7
79.95760	0.5
91.05518	0.6
91.17549	0.2
96.96008	100.0
97.06574	0.6
97.95951	0.3
103.05544	0.7
112.11511	0.2
117.03474	0.9
119.05032	2.2
137.09648	0.5
143.50975	0.3
147.04515	11.0
148.04825	0.3
161.02449	0.4
163.03998	0.8
165.05565	14.7
166.05927	0.5
186.03180	0.5
199.11127	0.2
201.05498	0.3
245.01219	16.8
245.10172	0.6
246.01596	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0818
Annotation	Norpinguisanolide
Peak:m/z	Relative Intensity
55.01876	0.8
57.03445	13.5
58.79658	0.7
59.01376	4.4
65.03961	3.1
67.01885	8.4
69.03451	8.8
70.25845	1.2
70.26243	1.8
71.01360	0.9
79.05524	5.7
81.03458	2.6
83.01386	1.6
83.04985	0.7
91.05537	10.6
91.78882	0.7
93.03449	1.7
95.01366	1.3
95.05034	1.6
97.02940	5.9
98.20535	1.0
103.05573	1.6
105.07097	5.1
106.04205	0.8
107.05028	3.4
109.02936	2.1
115.05558	4.5
117.03455	3.0
117.07090	5.3
119.05036	8.3
121.02964	1.6
121.06594	2.3
123.04472	1.1
129.07129	3.7
130.04214	4.2
131.05037	9.8
131.08667	6.0
133.06595	30.2
134.03749	0.9
135.04517	5.6
141.07088	6.8
143.05025	35.4
144.05815	36.0
145.03011	1.6
145.06657	3.5
146.03764	1.3
147.04517	11.0
147.08157	1.4
148.05263	0.9
149.06078	1.8
155.08650	5.6
156.05788	4.2
157.06581	37.8
157.10184	1.3
158.03734	2.5
158.07408	5.7
159.04546	20.2
159.08150	100.0
160.05312	5.2
160.08444	3.8
161.06091	7.8
162.03188	2.2
162.05377	0.8
162.72401	0.8
167.04974	4.7
168.05847	4.6
169.06517	1.4
170.07381	0.9
171.04517	12.2
171.08157	6.5
172.05188	2.8
173.06134	7.2
173.09651	7.3
174.03206	1.8
175.04044	4.6
175.07629	37.7
176.07930	1.7
181.06523	4.0
182.07356	2.1
183.08150	41.8
184.05275	1.9
184.08501	2.1
185.06071	17.8
186.06863	22.5
187.04007	5.5
188.04779	5.5
189.05464	1.0
195.08148	4.2
197.05988	1.6
198.06888	2.8
199.07655	9.2
200.08408	1.5
201.03893	1.1
201.05623	12.2
201.09210	47.0
202.06294	3.3
202.09538	3.5
203.07133	16.7
204.04214	0.9
212.04799	1.4
212.08392	0.8
213.09230	9.3
217.08678	2.5
227.07129	9.1
245.08194	43.4
245.11847	14.5
246.08536	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	244.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21912	0.7
63.96239	1.3
64.97030	6.4
70.67289	1.5
70.67628	1.0
72.00909	12.5
79.95733	30.3
80.96516	14.9
91.05553	1.4
95.97610	67.6
96.96011	19.9
103.05527	2.7
110.02409	0.7
118.06630	32.2
119.05016	0.8
119.06941	1.2
132.90016	0.8
147.04517	45.0
148.04892	1.4
162.05623	0.7
164.07158	100.0
165.05521	2.3
165.07462	3.0
171.24892	0.7
182.02808	1.1
186.39337	0.7
198.02283	2.8
226.01797	4.6
226.03781	0.9
244.02835	85.6
245.01178	2.1
245.03194	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	244.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75306	0.7
52.95116	0.7
53.02306	0.6
63.96230	0.8
64.97021	7.2
66.74200	0.8
69.85722	3.2
72.00912	14.5
79.95731	30.6
80.96513	17.7
91.05544	1.2
92.05885	0.8
95.97609	67.4
96.96008	20.9
103.05540	2.5
117.03462	2.6
118.06631	32.0
119.05025	1.2
119.06930	0.8
138.24127	0.7
147.04517	50.5
148.04761	1.9
162.05580	1.4
164.07156	100.0
165.05588	2.6
165.07489	3.7
172.57510	0.8
182.02843	0.9
198.02301	2.3
226.01866	4.2
244.02824	98.1
245.01103	2.1
245.03241	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.03443	2.9
58.04259	1.3
59.01380	71.1
69.03408	1.7
70.14024	6.0
73.02946	3.8
74.09694	1.3
76.46403	1.4
79.95711	1.8
93.27338	1.3
95.05019	1.7
99.00861	2.2
107.05035	2.0
135.04524	15.5
137.09697	1.6
139.11287	44.4
140.11662	1.9
163.04010	30.7
163.11282	4.3
165.09207	2.8
181.12355	29.5
183.10258	64.2
184.10646	2.7
199.13408	30.7
200.13699	2.6
207.10243	6.1
225.11313	32.1
243.12369	100.0
244.12735	4.9
246.90488	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1238
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.03426	0.9
59.01389	1.4
71.05021	2.5
83.05006	0.9
97.02949	2.7
97.06582	1.3
99.00883	14.3
99.94720	0.6
107.04993	0.8
109.06576	1.0
110.03745	1.0
123.08154	0.7
125.09703	5.3
131.60753	0.6
135.04526	10.1
135.93167	0.7
142.02713	1.2
153.12897	1.0
155.14420	1.6
160.04520	0.6
163.04010	15.5
163.11317	5.5
164.04326	0.7
164.11411	0.7
171.10332	0.9
181.12338	16.4
182.12630	0.8
197.11839	1.6
199.13388	20.9
207.10262	30.8
208.10597	1.7
225.11308	62.2
226.11638	3.0
243.12364	100.0
244.12717	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	243.1237
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.03444	13.4
59.01369	3.3
61.23222	1.2
69.03403	1.3
70.83163	2.6
71.01381	3.2
71.05019	3.6
72.00893	1.4
72.02158	2.1
73.02941	6.0
79.95728	5.3
80.96532	1.4
83.05019	3.3
85.02952	13.6
85.06557	2.0
86.03710	1.2
87.04514	70.7
91.05543	5.1
93.07114	2.2
95.05043	1.4
95.97617	6.6
96.96021	1.5
97.06604	2.7
98.00091	25.5
99.00888	9.0
101.02431	1.7
101.06059	2.0
109.06583	5.6
111.08159	71.8
112.08477	2.0
118.06609	2.9
119.08685	1.9
121.06558	1.1
123.08170	4.1
125.02460	1.8
126.86301	1.0
137.06097	1.2
137.09720	18.1
137.10701	1.7
139.07675	6.7
139.11278	1.4
141.09218	14.0
145.01411	2.8
147.04535	4.4
155.07114	2.2
155.10794	2.6
158.73985	1.2
163.04028	10.3
163.11287	15.5
164.07167	8.8
164.11594	1.2
181.08749	1.1
181.12347	17.9
194.56268	1.0
199.09814	3.9
199.13405	16.0
200.30539	1.2
210.25571	1.0
225.11375	3.6
243.08572	4.0
243.12358	100.0
244.02780	8.9
244.12686	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30889	1.0
57.03461	1.6
59.01377	52.9
62.72245	0.8
69.42027	4.7
69.42438	2.3
72.99298	8.9
74.06250	0.9
85.06586	1.7
91.05518	2.0
97.50176	1.0
98.20660	2.2
107.08649	3.9
121.10245	1.7
124.23392	0.9
125.09705	2.0
135.08154	1.2
139.11285	4.2
151.60092	0.9
152.17456	1.0
155.10738	3.1
163.04025	3.3
170.75963	1.0
183.10248	57.7
184.10587	1.4
199.13358	1.4
201.11310	100.0
202.11641	3.4
204.87746	0.9
221.28555	0.9
225.11244	1.3
243.12299	5.5
243.37784	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78649	0.5
60.62453	0.6
62.31528	0.5
67.01889	0.7
69.03457	27.5
71.52102	0.5
79.01893	22.7
81.03463	1.2
85.02952	1.4
94.34408	0.5
95.01398	6.0
97.02950	15.1
107.00645	0.6
107.01389	26.0
108.02175	62.0
109.03030	3.6
112.67154	0.6
121.02953	1.9
123.00864	7.0
125.02444	20.0
126.02783	0.7
135.00885	68.9
136.01216	2.3
137.02437	4.1
151.00356	1.6
152.01149	100.0
153.01534	2.8
197.06068	4.7
201.90361	0.6
213.05536	0.6
243.06592	12.0
243.10265	1.1
243.12451	0.7
244.06880	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1025
Annotation	Chloranthalactone B
Peak:m/z	Relative Intensity
57.03450	1.2
59.01374	3.6
60.58379	1.0
61.98827	9.5
69.03462	1.7
71.53733	1.5
76.51524	1.0
79.05547	3.9
80.02703	1.7
91.05536	3.8
93.03478	2.9
95.05038	4.6
96.96009	2.9
99.92552	2.3
105.07099	24.8
107.04996	5.6
110.02468	1.9
111.14270	1.3
117.07120	1.9
121.06577	2.2
129.07098	2.6
131.08652	1.4
132.05820	10.2
135.04564	1.2
143.08669	4.3
144.05786	2.3
145.06645	1.1
147.08154	4.0
154.27495	1.1
155.08691	4.4
156.05807	2.1
157.06613	5.6
157.10204	9.1
163.03983	3.4
169.06630	3.1
169.10292	1.3
170.07375	2.3
171.08165	38.5
171.11778	3.2
172.08565	1.5
173.06082	4.3
173.09720	1.5
174.06755	1.3
181.06694	1.4
181.10219	10.0
183.08163	21.7
184.08934	13.2
185.06065	1.7
186.06932	1.4
197.09724	14.6
197.90582	1.4
199.07619	7.3
199.11292	100.0
200.11652	4.6
201.09338	1.3
213.09218	1.8
215.10666	1.1
225.09210	4.2
225.11220	1.5
225.14966	2.5
226.86461	1.2
228.08011	1.3
243.03021	1.3
243.06558	4.6
243.10245	23.5
243.12267	2.6
243.16019	2.5
243.89973	2.0
244.10597	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	242.9967
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77563	0.6
69.34705	5.6
69.35089	1.7
79.95731	25.7
80.91692	1.0
84.08409	0.8
91.05532	62.7
92.05865	2.1
96.96004	11.3
135.04488	4.0
163.04002	100.0
164.04327	4.6
171.01224	13.5
201.11342	0.8
213.00441	1.0
242.99667	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	243.0483
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98035	2.5
57.03440	1.0
63.96237	38.3
71.52349	1.2
82.99600	1.1
88.22175	0.6
92.02765	0.6
95.01390	0.7
99.92552	0.7
106.00594	1.5
107.05027	3.9
108.00396	9.1
108.02175	12.4
109.01179	12.0
110.99106	17.2
120.60985	0.6
121.02951	24.3
122.01998	0.9
122.99179	0.9
123.99890	6.6
137.00658	8.7
138.98587	2.9
151.99373	100.0
152.99654	2.2
163.03996	1.9
163.99324	1.2
199.05867	12.7
199.07616	1.2
199.11337	1.3
213.03804	3.6
225.03786	4.5
225.11195	0.9
243.04831	84.6
244.05164	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	243.0622
Annotation	Uridine
Peak:m/z	Relative Intensity
53.33129	0.8
59.01376	1.9
66.03491	13.5
66.97559	0.8
68.01416	2.3
70.71194	1.1
70.71503	1.4
71.01377	1.4
72.43243	0.8
82.02984	30.8
83.01403	1.4
84.04556	1.5
94.02985	2.1
96.04541	1.7
98.02438	1.0
100.70859	0.9
108.04551	2.1
110.02481	100.0
111.02016	5.4
111.02735	1.5
117.01996	1.2
120.04575	1.7
122.02483	9.4
124.04066	1.8
129.66167	0.8
140.03523	11.6
152.03546	16.1
153.03043	8.6
182.04535	1.3
194.59367	0.9
200.05641	34.1
201.05977	1.0
243.03685	1.2
243.06198	24.3
243.08580	1.7
244.06433	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.3
59.01381	1.6
60.27689	0.3
62.49517	0.3
66.03487	44.8
67.03828	0.4
69.03442	0.7
69.66333	1.8
73.02939	0.4
79.95727	3.6
80.96533	0.6
82.30029	0.3
91.05528	7.2
91.06062	0.5
96.96008	2.0
97.06607	0.4
101.02444	1.7
110.02480	100.0
111.00889	0.5
111.02825	2.1
111.08202	0.5
124.04909	0.4
125.82604	0.3
130.08746	0.4
135.04518	1.3
145.01439	2.4
148.03954	0.3
149.04562	0.5
160.04048	0.6
163.04015	18.6
171.01218	2.4
175.79832	0.3
180.57120	0.3
198.07716	0.3
199.09807	0.3
200.10101	1.2
201.11314	0.5
242.06660	4.7
242.99672	2.5
243.12360	1.2
243.17062	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.8
65.03954	1.3
67.01881	0.5
69.19357	0.3
69.44736	2.3
69.45129	0.6
70.41966	0.3
71.53154	0.3
79.95739	3.3
80.96499	0.7
81.77467	0.4
91.05537	0.9
93.03460	0.5
95.33279	0.3
97.06610	0.3
102.85030	0.3
107.05017	3.7
109.02964	1.2
117.03460	1.2
119.05032	1.2
135.04517	59.0
136.04852	2.1
136.42334	0.3
139.11311	0.9
144.16298	0.3
145.02925	2.0
161.02472	1.9
161.03578	0.3
163.03999	100.0
164.04333	3.0
173.08170	0.5
175.95419	0.3
181.12355	0.5
183.10297	1.2
194.98038	0.4
199.13370	0.6
201.11238	0.4
225.11357	1.1
229.36937	0.3
242.99619	3.4
243.12326	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	242.9967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.8
69.92484	3.2
78.45943	0.6
79.95735	23.6
91.05535	67.6
91.77624	0.7
92.05885	2.2
96.96010	11.5
98.19990	1.2
135.04523	3.2
145.01741	0.6
157.09082	0.6
163.04012	100.0
164.04353	4.2
170.99718	0.8
171.01208	17.0
175.88843	0.6
183.10164	0.8
201.11198	0.9
223.08186	0.7
242.99712	12.4
244.00090	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1444
Annotation	A factor
Peak:m/z	Relative Intensity
52.75922	0.7
59.01379	100.0
60.01707	1.4
65.85706	0.7
71.05016	2.6
74.88457	0.6
98.20651	1.7
127.26260	0.6
173.72556	0.7
241.14450	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	241.1445
Annotation	A factor
Peak:m/z	Relative Intensity
54.05958	0.6
59.01379	100.0
60.01723	0.8
71.05029	2.8
78.88815	0.6
83.97247	0.7
90.68126	0.6
153.12869	0.7
179.14433	2.0
213.14937	1.1
213.65587	0.7
214.05069	0.6
241.14447	35.5
242.14857	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.6
59.01377	1.0
70.29720	1.9
70.30109	2.1
70.69036	0.8
74.95827	0.8
75.25784	0.8
83.05019	3.4
95.05009	1.8
97.06593	12.0
111.08154	11.7
147.11748	1.9
163.11261	3.2
165.12840	100.0
166.13194	5.2
169.10239	14.6
170.10582	1.1
193.62440	0.8
197.09686	8.9
197.15446	19.4
198.15715	1.3
209.11790	3.5
241.08810	5.0
241.14331	1.4
241.18120	1.2
255.00810	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19671	1.7
55.01867	7.1
57.03440	2.6
59.01377	8.8
66.03491	2.2
70.04620	7.0
71.01370	2.3
72.04550	1.7
78.95891	1.9
82.02978	18.4
83.01391	4.4
84.00920	1.8
85.06574	10.2
87.00867	2.8
95.05007	1.8
96.96047	2.5
97.02956	5.8
97.06586	3.0
98.02494	6.6
98.20627	2.6
99.04478	1.8
100.04015	9.6
107.05022	31.9
110.02482	9.1
110.06107	7.4
111.03246	2.1
112.04043	19.2
112.07684	73.1
124.04027	7.9
124.07671	10.4
125.06065	4.3
125.87342	2.0
126.09245	6.4
128.03557	3.8
134.06116	4.8
136.07683	18.7
137.06073	4.8
138.05595	11.1
138.77478	1.9
140.07173	34.0
142.05095	3.0
150.05650	2.0
152.07169	3.8
153.05562	4.9
154.05104	3.9
154.08742	6.8
155.07143	2.4
163.03981	4.8
168.06633	2.0
170.08214	14.5
180.06630	5.8
182.04549	2.2
196.06139	32.1
198.05865	2.6
198.07713	51.5
200.05672	10.5
201.36125	1.7
214.07230	18.1
241.11833	1.7
242.06693	100.0
243.06950	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	242.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	6.3
57.03453	2.9
59.01383	8.5
62.80261	1.5
66.03488	11.0
67.01882	2.3
68.01405	3.3
68.99813	1.8
69.03452	2.4
71.01405	7.6
71.50816	1.5
72.04549	2.0
72.99277	1.7
78.95898	5.5
79.93086	1.6
82.02485	1.9
82.02981	39.3
83.01385	7.0
83.05044	2.4
84.00925	3.8
84.04542	4.4
84.96349	1.5
85.02962	1.9
85.06586	10.9
86.16973	1.5
87.00870	5.0
87.04523	2.8
94.02971	3.9
95.05013	1.9
96.04513	1.8
96.96014	6.0
97.02943	3.6
97.06575	2.4
98.02487	5.1
98.06064	2.3
100.04049	8.7
101.02441	1.7
104.11646	1.5
105.01965	2.4
107.05037	28.4
108.04572	2.7
110.02481	74.4
110.06116	5.2
111.02005	10.8
111.03209	2.9
111.08164	4.6
112.04053	17.9
112.07687	69.8
115.00344	2.6
117.01936	3.6
120.04542	2.1
122.02467	4.9
122.06150	2.7
124.04042	7.1
124.07674	9.0
125.06095	4.5
126.05578	2.1
126.09258	5.7
128.03549	9.2
134.06093	4.0
135.04491	2.4
136.07668	18.7
137.06062	7.4
138.05594	5.0
140.03555	9.5
140.07182	30.9
142.05069	3.1
145.01413	1.7
150.05663	1.9
152.03566	11.4
152.07162	3.8
153.03029	10.0
153.05577	6.0
154.08730	7.6
155.07095	4.3
155.99301	2.1
163.03992	4.1
168.06638	2.0
170.08234	16.1
180.06645	3.8
196.06168	32.7
198.07712	45.9
199.08038	3.7
200.05649	29.3
214.07269	13.9
214.09052	2.3
242.06688	100.0
242.10500	2.9
242.99191	2.0
243.06314	17.4
243.08687	3.6
243.12256	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	241.1081
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
54.78778	0.4
57.03448	20.2
57.45198	0.4
58.00599	0.5
59.01378	2.0
59.17512	0.4
69.03478	0.8
69.29359	1.4
69.29779	2.7
71.05019	2.6
73.02963	0.7
73.76341	0.6
79.95410	0.4
81.07109	1.1
83.05037	1.8
85.06603	1.2
96.81379	0.4
97.06569	0.7
102.97044	0.4
109.06586	0.6
111.08163	8.8
119.08638	0.7
121.06598	0.5
123.08141	0.7
135.11804	1.5
137.09723	9.0
139.07646	13.0
151.11327	0.4
153.12846	2.4
179.10756	1.6
197.11821	100.0
198.12192	4.9
199.09790	0.7
213.14919	4.3
223.09706	0.5
223.13304	0.9
241.10797	53.5
241.14352	8.8
242.11226	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30657	0.7
57.03434	1.1
59.01381	12.9
69.36131	1.1
69.36540	5.2
71.05044	1.0
73.02930	1.2
78.24503	0.7
85.06590	100.0
86.06908	1.4
87.00856	0.9
87.04496	2.8
91.79610	0.8
95.05034	1.6
97.06581	2.6
99.04518	46.5
105.32585	0.7
109.06580	9.0
111.04517	2.9
111.08145	2.9
116.00652	0.7
116.27734	0.6
125.02456	1.4
135.11783	2.0
137.09703	3.3
151.11331	1.0
153.12846	14.0
167.06229	0.7
179.10767	10.1
181.08728	1.2
197.11836	56.9
198.12167	2.7
213.05653	1.2
218.50917	0.8
226.06006	0.8
241.00075	0.9
241.05197	1.1
241.10806	31.0
241.14363	5.2
241.21632	0.8
242.11156	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74515	0.5
55.01861	0.6
55.57289	0.5
59.01366	2.5
61.98824	1.0
67.07854	0.5
71.52853	1.0
73.57297	0.6
79.05533	1.7
93.03434	2.6
93.50482	0.6
125.02474	0.7
131.01315	0.6
137.02437	2.4
157.06557	1.1
160.33302	0.6
165.12880	1.7
167.05019	8.3
169.10233	3.1
171.08199	1.1
180.05780	1.5
181.06586	19.7
181.08203	1.0
182.07349	17.3
195.08151	10.7
196.08617	1.5
197.09712	100.0
198.10027	6.1
199.07687	0.6
213.05467	0.7
214.06337	1.4
223.07599	1.3
226.06343	1.7
241.05086	1.1
241.08765	3.8
241.10861	1.1
241.14418	1.4
241.18141	1.4
241.21747	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1079
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
57.03166	0.8
57.03449	1.5
59.01377	2.7
69.03468	2.8
69.31409	0.8
69.39532	5.1
71.05014	5.8
72.61185	0.8
83.05013	1.5
97.06607	1.2
123.08158	1.3
125.09720	2.0
135.19975	0.7
137.09773	0.9
151.11304	1.1
153.12923	3.7
161.09740	1.4
179.10767	7.7
197.11819	100.0
198.12216	4.3
223.09758	2.1
226.06288	0.9
241.01985	1.0
241.10796	62.9
241.14597	1.8
241.21739	1.4
242.11192	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	241.1082
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
55.01875	5.2
57.03455	20.1
59.01366	8.2
69.03451	4.9
69.56792	6.1
69.57207	6.4
71.01382	9.8
71.05005	2.1
72.02126	2.6
73.02945	42.5
79.05527	8.5
81.03453	2.9
83.05019	11.8
85.02957	8.8
87.04505	4.7
93.07082	6.4
93.50404	1.9
95.05017	8.3
97.06570	12.4
99.04533	2.8
107.05020	2.4
107.08666	2.4
108.02184	2.5
109.06590	9.7
111.08164	35.6
121.06590	9.0
123.04575	3.2
123.08161	38.0
125.09695	6.4
130.38919	2.2
133.10249	8.3
135.08162	6.8
137.09665	3.4
139.11250	2.3
149.09752	10.7
151.11241	4.7
153.09175	7.0
161.09760	11.0
164.08447	3.3
167.10802	8.9
168.11133	1.9
179.10776	2.5
197.11833	9.4
199.09767	6.2
241.10811	100.0
242.11186	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	241.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
59.01377	1.3
67.03356	0.5
69.73887	2.8
71.05047	0.6
83.05028	1.4
94.66010	0.6
98.20628	0.8
99.04507	1.6
144.78131	0.6
151.11284	1.5
153.12845	0.8
179.10750	1.9
195.10182	0.9
197.11819	100.0
198.12192	4.6
234.14954	0.5
241.10805	29.2
242.11095	1.2
245.80052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1288
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.30534	0.6
57.03448	45.5
58.03797	0.6
59.01354	1.6
67.69548	0.7
69.03438	1.4
69.70510	3.0
71.05031	1.1
76.32482	0.7
83.05005	2.1
83.48075	0.6
85.06567	1.5
95.04996	0.8
98.19993	1.4
107.05021	2.3
109.06595	9.7
120.05758	0.8
123.08160	50.5
124.08481	1.3
125.09728	7.4
135.07233	0.8
135.08159	13.8
149.09766	0.9
151.11273	11.0
152.11662	0.7
153.09082	0.8
177.12865	2.2
179.05627	1.3
179.10751	1.9
191.23674	0.7
195.13889	100.0
196.14197	3.8
209.19644	0.7
239.12891	24.1
240.13100	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1652
Annotation	Chokol F
Peak:m/z	Relative Intensity
57.03160	1.8
57.03448	34.9
58.19080	1.2
59.01379	100.0
59.83105	1.3
61.98827	1.6
69.03448	2.8
71.01382	15.6
76.37447	1.4
77.59598	1.2
85.02958	1.9
85.06598	5.3
87.00891	6.2
99.00883	2.6
101.06097	6.2
107.05034	1.7
109.06572	5.2
111.08156	5.1
115.04018	9.8
117.01949	1.9
123.00899	1.5
123.08164	6.2
125.02438	1.2
125.09759	1.8
135.08148	2.3
139.03993	12.2
151.11241	2.0
154.06354	27.6
161.04559	5.4
167.14403	16.3
179.05620	25.9
179.10730	5.3
179.14403	2.6
188.06419	1.5
195.13890	89.3
195.17572	2.7
196.14288	6.4
221.15442	7.9
223.02820	5.7
239.06870	11.7
239.09088	2.2
239.12967	14.1
239.16510	81.4
240.16829	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	239.1652
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
51.92241	2.5
52.11700	2.4
57.03452	18.4
57.53307	2.1
59.01379	100.0
61.22546	2.4
61.98833	3.1
62.54153	2.1
65.87990	2.2
69.03465	4.1
71.01384	3.6
71.53804	3.8
77.49618	2.6
81.94907	2.4
85.02961	2.9
87.00880	13.8
92.10815	2.6
93.07080	2.5
93.31750	2.4
99.00923	2.6
99.07498	2.3
99.08141	29.0
109.06518	3.2
113.09724	3.5
123.08144	10.4
125.09689	3.8
135.08205	3.6
139.07649	4.8
149.13318	8.1
151.11244	3.0
161.04553	9.5
177.16469	9.8
179.05617	54.1
195.13910	23.1
195.17551	4.1
221.15407	10.3
223.02820	10.6
239.07202	5.9
239.10928	4.4
239.13211	11.4
239.16499	76.0
240.16751	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	241.087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74515	0.5
55.01861	0.6
55.57289	0.5
59.01366	2.5
61.98824	1.0
67.07854	0.5
71.52853	1.0
73.57297	0.6
79.05533	1.7
93.03434	2.6
93.50482	0.6
125.02474	0.7
131.01315	0.6
137.02437	2.4
157.06557	1.1
160.33302	0.6
165.12880	1.7
167.05019	8.3
169.10233	3.1
171.08199	1.1
180.05780	1.5
181.06586	19.7
181.08203	1.0
182.07349	17.3
195.08151	10.7
196.08617	1.5
197.09712	100.0
198.10027	6.1
199.07687	0.6
213.05467	0.7
214.06337	1.4
223.07599	1.3
226.06343	1.7
241.05086	1.1
241.08765	3.8
241.10861	1.1
241.14418	1.4
241.18141	1.4
241.21747	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1288
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
57.03434	1.8
59.01381	5.3
66.48777	0.5
69.03452	0.7
70.80402	1.1
71.01367	0.8
73.50822	0.5
74.42516	0.4
75.29750	0.4
79.73417	0.5
80.67821	0.5
95.05014	1.6
99.08166	0.8
101.06088	8.0
109.06594	5.7
111.08166	5.3
122.03713	0.8
123.08119	0.5
125.09727	1.2
135.11819	0.5
138.06892	1.2
139.04008	14.4
140.04289	0.8
144.14665	0.5
151.11343	0.8
154.06358	34.5
155.06708	0.9
161.04529	0.8
165.92017	0.6
167.14403	9.8
179.05635	2.2
179.10762	5.3
182.05835	4.2
195.13890	100.0
196.14279	5.2
223.02669	0.8
239.06931	0.9
239.12881	6.0
239.16467	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	239.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	55.9
59.01374	6.4
59.10316	0.7
67.05513	0.6
69.03474	2.8
71.05021	0.8
71.33184	0.6
71.51984	1.1
83.05037	2.0
85.02982	0.8
85.06610	0.9
95.05044	0.9
96.96010	20.1
96.96609	1.2
107.05047	3.1
109.06584	10.8
111.08163	0.9
120.05782	1.5
121.06603	1.2
122.03741	0.8
123.08160	51.8
124.08506	1.9
125.09710	7.0
131.40120	0.6
133.10216	0.9
135.08145	14.1
135.09100	1.1
147.08208	0.7
151.11284	11.5
153.09212	1.0
159.10258	11.1
176.42065	0.7
177.12825	2.6
179.05588	3.9
179.10741	2.8
195.13899	100.0
196.14253	5.2
221.12085	0.8
239.05952	21.0
239.08731	1.1
239.12866	24.9
240.06517	0.8
240.13203	1.3
259.68137	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58653	1.9
57.03455	2.3
58.99589	3.4
59.01380	100.0
70.11919	9.2
71.01389	10.9
85.02940	5.1
87.00878	18.4
88.96126	1.8
89.02473	12.9
97.02943	2.5
99.00890	4.9
101.02441	4.6
113.02457	3.3
117.01900	4.7
126.42636	2.1
128.54102	2.0
149.68967	2.0
151.04378	3.6
154.97508	6.3
161.04572	19.5
177.04083	2.5
177.61899	2.1
179.05606	83.9
239.07776	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	239.0923
Annotation	CMPF
Peak:m/z	Relative Intensity
57.03446	8.4
59.01380	7.3
69.55110	3.0
71.05029	0.4
74.26851	0.4
79.95733	0.8
83.05029	6.0
85.02952	1.1
87.00874	0.6
95.05032	0.8
96.96008	100.0
97.06573	1.1
99.04518	58.1
100.04861	1.4
109.06634	0.6
113.09704	0.8
123.08153	2.9
133.10222	1.3
135.08102	0.7
137.09717	0.6
140.69891	0.5
149.09744	1.5
151.11290	5.4
159.10207	2.6
162.06985	0.4
177.09189	3.9
179.05585	3.5
185.29819	0.5
195.10257	20.7
195.13882	3.5
196.10602	0.8
203.23613	0.5
239.05914	6.4
239.09238	9.4
239.12924	2.8
240.09558	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	12.2
57.03448	8.9
58.00574	2.4
59.01380	81.3
71.01380	91.2
71.25413	2.9
72.99297	5.0
73.02948	36.4
75.00874	3.6
75.04545	1.8
83.01382	20.1
85.02947	47.4
87.00874	5.4
88.97733	1.6
89.02434	15.1
89.40321	1.8
95.01391	8.7
99.00886	15.2
101.02444	100.0
113.02458	42.9
117.17600	1.6
117.36070	1.4
119.03482	2.8
134.04723	3.4
143.03470	3.6
159.03017	8.1
161.04547	38.2
237.09785	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	237.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	65.5
59.01373	3.4
70.23635	4.1
71.01382	1.1
75.96228	1.1
77.67123	0.8
80.96527	1.7
83.04984	1.1
85.02977	1.2
93.07121	1.0
96.96010	41.8
107.05021	4.4
109.06615	1.1
123.08163	100.0
124.08479	3.3
135.08160	13.6
144.89304	0.9
149.06075	1.8
159.08344	1.0
163.11275	1.1
193.06805	1.1
193.12326	8.9
201.39587	0.9
209.08168	1.0
237.04257	3.2
237.07845	6.9
237.11316	12.2
237.14977	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	238.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.3
69.97645	4.1
70.96583	1.1
71.01385	11.4
72.98905	1.2
72.99310	22.6
73.33301	1.2
81.79665	1.2
92.05051	20.2
96.96105	1.1
98.20590	1.4
99.00897	2.9
107.22052	1.0
110.71262	1.2
116.05087	1.5
118.06625	3.3
120.04571	24.0
120.08228	1.7
128.05072	25.1
128.90602	1.3
130.06631	100.0
131.03758	10.9
131.06952	3.6
132.04552	2.2
144.04553	5.3
146.06129	41.9
147.06425	1.8
148.04053	18.1
148.07695	4.7
158.06129	15.9
159.24263	1.1
172.04073	3.5
174.04329	1.1
174.05598	5.9
176.07175	29.5
177.07564	1.4
179.05605	1.5
192.06685	1.4
210.07727	8.3
220.06148	37.4
221.06406	1.2
238.07217	62.8
239.07628	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
63.57285	0.2
69.65574	1.6
73.39420	0.2
79.95741	1.0
96.96011	100.0
97.95918	0.2
99.08154	1.0
107.04408	0.3
113.09710	0.6
117.93044	0.3
121.43762	0.3
140.17331	0.2
141.09222	0.3
146.91107	0.3
154.45985	0.2
159.10271	16.0
160.10622	0.3
170.70415	0.2
179.05658	0.3
212.00194	0.3
239.05939	47.1
240.06244	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	239.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66090	0.5
57.03449	11.9
59.01382	4.2
62.20602	0.5
69.03480	0.7
69.39111	0.5
69.80164	1.0
69.80569	2.0
77.21922	0.5
79.95740	1.7
83.05017	0.8
87.00869	0.8
93.03440	0.5
93.91202	0.4
95.05045	0.6
96.96013	100.0
107.05032	1.0
109.06580	2.7
113.09731	4.0
123.08170	10.2
125.09742	1.2
135.04527	1.2
135.08186	3.4
151.11270	2.6
153.09160	0.5
159.10266	59.6
160.10590	2.4
161.04622	0.6
179.05617	2.6
195.13892	23.2
196.14268	1.4
221.11772	0.6
239.05943	96.6
239.12709	6.6
240.06247	3.6
245.25876	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
57.03442	1.1
57.98978	0.2
59.01379	4.2
59.47285	0.2
59.96714	0.5
61.98832	0.4
64.88645	0.2
70.51714	0.4
70.52094	0.5
74.99072	11.9
75.96220	0.4
83.05022	0.6
85.02952	2.0
87.00864	1.0
87.04565	0.2
91.02213	10.6
93.00134	3.2
95.05063	0.4
97.02887	0.3
99.00925	0.4
103.35687	0.2
112.36345	0.2
123.00919	0.3
123.08159	0.6
149.00960	5.4
150.00893	0.3
150.98865	0.3
161.04549	0.7
163.11284	0.9
174.69424	0.3
179.05609	4.0
179.07056	0.4
195.13918	2.6
206.99728	2.5
221.11827	1.0
223.02826	100.0
224.02852	8.0
239.05707	0.4
239.07361	0.3
239.12880	2.4
239.16487	0.7
241.03899	1.1
258.49228	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0438
Annotation	7-Chloro-L-tryptophan
Peak:m/z	Relative Intensity
61.10576	0.2
69.70477	0.8
69.70885	0.4
79.95740	1.3
85.96773	0.2
96.96008	100.0
97.91653	0.2
104.44323	0.2
108.29803	0.2
127.07671	0.5
133.61473	0.2
133.80797	0.2
139.07640	0.6
152.32597	0.2
157.08690	5.8
237.04362	33.5
238.04684	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0281
Annotation	Mansouramycin B
Peak:m/z	Relative Intensity
70.67252	0.5
79.95745	1.4
83.16767	0.2
87.78603	0.2
92.03822	0.2
95.95238	0.2
96.96011	100.0
97.95956	0.2
104.74552	0.2
136.99277	0.2
138.69379	0.2
146.03944	0.2
155.07121	0.5
191.03841	1.4
222.50403	0.2
235.02795	10.3
236.03181	0.3
258.34900	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01420	0.2
69.59284	1.3
75.31280	0.2
79.95735	1.1
95.95271	0.2
96.96010	100.0
97.35239	0.2
98.19931	0.4
128.02823	0.2
154.17682	0.2
155.07217	0.2
163.39700	0.2
191.03802	0.9
235.02811	8.0
236.05803	0.3
259.79422	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47306	0.4
59.01376	2.4
61.98821	0.6
66.03461	0.4
66.95562	0.4
70.74958	1.0
71.01396	0.7
73.02939	3.9
79.95760	0.7
81.81033	0.4
88.89373	0.4
99.38911	0.4
122.35289	0.3
131.20613	0.3
135.04539	0.4
149.06071	0.4
151.07562	0.4
163.00282	0.7
169.54022	0.4
177.09248	0.4
184.29945	0.4
185.68881	0.4
190.99854	0.8
207.14011	0.4
217.06139	0.7
235.13243	2.7
235.17024	100.0
236.10510	0.7
236.17365	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	235.1703
Annotation	Bicyclohumulenedione
Peak:m/z	Relative Intensity
59.01381	5.3
59.95662	0.3
61.98854	0.3
63.36579	0.2
66.62599	0.2
71.01380	0.9
71.07935	0.5
71.08259	0.3
79.95730	0.8
83.05008	0.9
89.97379	0.2
91.03585	0.2
109.75432	0.2
118.81345	0.3
151.07588	0.3
163.14903	0.7
173.13495	0.3
177.09229	0.6
191.18004	2.1
217.16000	1.4
233.15442	1.3
235.17024	100.0
236.17348	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	236.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
63.74736	0.7
71.01365	1.4
71.32031	1.0
72.99300	5.8
75.00864	3.1
87.00878	5.7
89.12035	0.6
92.05064	1.1
93.03468	0.8
96.96011	6.7
98.52891	0.6
98.95597	1.5
101.02428	1.1
101.04318	2.6
103.03998	0.8
105.03757	1.3
106.04098	1.2
108.04552	1.3
118.02973	1.5
120.04560	8.6
120.99659	0.8
122.89428	1.8
128.05052	0.7
130.04256	3.2
130.06584	1.1
131.03780	3.1
131.05312	1.4
132.04565	3.3
134.02505	1.0
134.06111	1.4
135.01208	1.2
140.32465	0.7
144.04549	12.6
146.06122	54.4
147.03271	12.8
147.04477	1.2
147.06451	1.9
148.04050	46.4
148.07698	9.7
149.04379	2.0
149.06377	3.3
158.03726	3.3
159.03195	0.8
160.04028	16.5
161.04416	1.1
162.05620	8.4
164.07117	0.9
172.04091	1.4
173.04784	0.8
174.05594	49.0
175.05916	2.2
179.02211	1.0
188.03485	1.2
190.05095	28.9
191.05336	1.5
192.06656	47.0
193.06966	2.2
218.04544	9.5
236.05629	100.0
237.03883	0.9
237.06133	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	236.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94249	0.2
56.57756	0.2
61.98830	0.3
69.23011	1.5
69.23427	0.7
90.53170	0.2
91.02238	0.3
97.28098	0.2
98.04246	0.2
100.60356	0.3
134.03754	0.4
134.58949	0.2
135.04541	0.7
136.05246	0.6
138.27493	0.2
148.05302	10.1
149.06023	0.6
149.09740	1.3
162.06857	0.5
175.07599	0.5
176.08455	0.9
177.09198	47.2
178.09529	2.2
180.07854	0.4
183.12085	0.3
190.09966	1.7
191.10748	1.4
192.11546	35.7
193.11966	1.9
201.09198	0.7
203.07083	0.7
217.08647	3.3
218.09454	8.7
219.09813	0.7
236.10515	100.0
237.10905	5.8
237.14610	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1546
Annotation	5-hydroxyzerumbone
Peak:m/z	Relative Intensity
56.83926	0.5
57.03445	0.7
60.48620	0.7
70.95100	1.3
74.99068	0.8
78.48317	0.6
81.07087	1.6
93.03288	0.5
110.93573	0.6
120.05825	1.1
128.32529	0.6
133.06595	14.3
134.99396	0.7
135.07219	0.7
135.08174	8.3
145.30515	0.6
147.08148	1.5
149.00952	6.4
152.03654	0.5
161.09723	0.8
200.12253	0.5
203.14395	22.4
204.14734	1.5
215.14400	32.3
216.14670	1.7
217.07167	6.6
231.13905	1.7
233.10529	6.3
233.15450	100.0
234.15744	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	233.1546
Annotation	Confertifoline
Peak:m/z	Relative Intensity
59.01364	1.5
70.15969	0.5
70.47469	1.3
70.47853	0.5
85.76672	0.5
97.10891	0.4
98.20652	0.5
109.64917	0.5
133.06593	8.6
135.08168	7.5
147.08156	3.5
159.08139	1.2
163.11264	0.8
173.09679	2.9
175.11276	31.7
176.11636	1.5
191.10776	2.2
215.10838	0.6
215.14394	1.4
231.14030	1.0
233.15451	100.0
234.15765	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	233.1181
Annotation	CHEBI:69468
Peak:m/z	Relative Intensity
55.01866	1.4
56.32655	1.0
57.03446	33.8
62.48344	0.9
65.03960	3.0
69.03454	2.0
69.39381	1.0
69.39632	2.0
69.40032	5.6
79.05532	7.3
83.05018	1.3
91.05524	2.1
95.05019	1.3
96.53900	1.3
97.02960	1.2
98.20602	2.3
100.26550	1.0
105.07111	2.4
107.05032	1.4
117.03441	2.6
117.07100	6.4
119.05033	2.2
121.06572	3.7
123.04542	2.9
130.04262	2.3
131.04985	1.6
131.08624	1.4
133.06596	5.1
135.08160	1.5
143.05016	2.0
144.05901	1.3
145.06590	20.5
145.10240	2.3
147.08118	3.4
149.06107	1.3
155.08701	1.9
156.05846	1.3
157.06581	13.6
158.07266	1.7
159.08109	2.2
161.09764	5.4
169.10161	2.9
170.07355	4.3
171.08116	4.8
172.08928	7.0
173.06165	2.0
173.09695	38.4
174.10107	2.4
175.07703	1.3
181.06615	2.5
182.07365	3.8
185.06052	9.8
185.09698	14.4
187.07631	1.7
187.11240	2.6
189.09201	1.6
197.09700	35.4
198.10139	1.6
199.07704	3.3
200.08365	7.4
201.08987	1.0
203.10767	23.4
204.07907	6.9
204.11102	1.3
205.12361	1.4
213.09338	1.3
215.10745	100.0
216.11040	5.7
228.55493	1.1
233.11819	42.1
233.15311	6.2
234.12135	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	233.1546
Annotation	Confertifoline
Peak:m/z	Relative Intensity
52.83459	0.2
54.65121	0.2
57.03438	0.7
59.01365	1.3
70.22175	1.0
89.80345	0.3
98.19952	0.3
109.02943	0.5
122.03765	0.5
133.05569	0.6
133.06589	11.3
134.06956	0.4
135.08162	31.3
136.08488	1.0
147.08163	2.1
148.05367	0.4
149.06075	0.7
151.03976	1.2
161.09714	0.4
171.08102	0.3
173.09697	4.3
175.11261	1.1
176.15714	0.3
203.14386	3.2
205.16000	0.5
215.14395	3.1
222.70325	0.3
231.13908	5.4
233.15445	100.0
234.15788	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	233.1544
Annotation	(3Z)-Laurediol
Peak:m/z	Relative Intensity
51.64957	0.5
55.01891	0.4
57.03448	8.6
59.01383	2.7
65.03960	0.8
66.44755	0.4
69.03452	0.5
69.17697	2.0
69.18126	2.1
79.05539	1.3
81.07097	0.7
83.05021	0.6
85.02944	0.6
85.34747	0.4
86.76356	0.4
91.05537	0.6
93.03454	1.4
95.04971	0.5
96.95995	0.4
105.07105	1.2
107.05009	1.1
109.02939	1.0
111.00828	0.5
117.03460	0.7
117.07080	2.0
119.05070	0.6
121.02935	0.7
121.06585	1.6
122.03747	15.6
122.04639	0.8
129.07161	0.5
130.04210	0.7
131.04976	0.5
131.08606	0.9
133.06604	5.3
134.03763	3.6
135.04536	9.6
135.08138	3.9
136.01662	0.6
136.05356	2.4
137.06064	1.2
143.05040	0.6
144.05724	0.7
145.06587	4.6
145.10222	1.0
147.04555	0.9
147.08148	3.3
148.05292	4.0
149.06082	16.6
150.06874	11.1
151.07668	4.8
155.08629	0.7
155.10764	0.6
157.06572	4.1
159.08167	1.0
161.06087	0.6
161.09743	2.5
162.06886	7.2
163.07631	2.6
163.11296	0.8
164.08498	0.6
170.07384	1.1
171.08228	2.3
172.08910	1.5
173.04585	0.6
173.09705	11.2
175.07651	5.3
175.11284	7.2
176.08170	0.5
177.09128	0.5
179.10730	0.5
181.06679	0.6
181.12372	1.2
182.07336	1.5
185.06049	3.0
185.09694	3.9
187.07576	0.9
187.11317	0.6
191.10745	1.1
195.08093	0.5
197.09712	9.2
199.07741	0.5
200.08398	1.6
203.10771	7.5
203.14447	3.4
204.07941	1.9
204.10851	0.6
205.08257	0.5
205.12300	1.7
215.10768	27.3
215.14134	4.6
216.11099	1.5
218.13109	15.9
219.13728	3.5
224.91849	0.5
231.14038	0.6
232.14676	5.8
233.12025	11.2
233.15437	100.0
234.12218	0.8
234.15767	6.0
237.14925	1.2
247.13379	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	233.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31411	0.3
59.01381	1.0
59.96728	0.5
60.97519	0.6
70.95873	0.7
74.98635	0.4
74.99070	8.4
75.27625	0.3
82.60316	0.3
91.02225	1.4
91.92384	0.4
93.00153	1.9
118.96246	1.6
126.63271	0.3
127.66107	0.3
134.99393	7.9
135.08148	0.8
136.97311	2.0
141.07391	0.5
143.05338	1.9
149.00955	76.8
150.00932	2.6
150.98862	0.9
157.16936	0.4
159.08469	2.1
161.06390	3.8
164.44128	0.3
201.03999	0.5
215.05624	1.4
215.14426	0.7
217.07196	100.0
218.07303	6.8
233.10324	96.4
234.10501	7.7
234.15656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1181
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
55.01871	1.3
55.32944	1.0
57.03447	28.7
59.01387	7.9
65.03945	3.0
69.03436	1.6
71.51981	1.1
71.52361	1.3
79.05538	6.4
83.04977	2.0
91.05527	1.2
93.03469	2.4
93.91130	0.9
95.05045	1.1
97.02938	1.6
102.17107	1.1
103.05489	1.4
105.07101	2.9
107.05017	2.2
117.03457	2.3
117.07117	6.3
119.05014	2.7
121.06580	3.4
122.03814	1.1
123.04560	1.4
130.04208	2.6
130.08727	1.0
131.05000	1.9
133.06586	3.4
135.08156	2.0
143.05014	1.4
144.05835	1.2
145.06610	18.3
145.10213	2.4
147.08134	3.7
149.06059	2.8
155.08629	1.7
156.05728	1.5
157.06596	12.6
158.07350	2.5
159.08148	2.5
161.09694	6.1
169.10216	1.5
170.07405	4.9
171.08160	8.0
171.11736	1.3
172.08963	6.0
173.05992	2.0
173.09714	32.1
174.10016	1.4
175.07651	2.7
182.07304	4.0
185.06096	8.6
185.09700	10.4
186.06721	1.7
187.07558	3.5
187.11278	2.9
189.09193	3.7
195.08151	1.5
197.07903	1.8
197.09709	30.6
198.09955	2.0
199.07584	2.5
200.08432	7.2
200.82320	1.1
203.10771	24.2
204.07922	6.2
215.10756	100.0
216.11061	6.3
233.08466	5.3
233.11774	42.7
233.15430	36.7
234.12048	1.8
234.15775	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1389
Annotation	Anhydrotrisporone
Peak:m/z	Relative Intensity
56.72121	0.3
57.03443	3.1
59.01388	0.5
61.98831	0.7
69.36080	2.6
79.05537	0.3
83.05068	0.4
84.42616	0.3
85.79094	0.3
86.51583	0.4
107.05069	0.5
108.02187	0.6
119.05009	0.7
120.49799	0.4
122.03713	0.4
122.21097	0.4
133.06599	18.8
134.06955	0.9
135.08162	100.0
136.08496	3.7
137.02423	0.5
143.04932	0.5
151.03964	0.7
157.06563	1.2
159.08147	0.6
171.08174	1.2
173.09709	29.1
174.10056	1.8
183.08260	0.4
185.05989	0.5
187.04018	0.4
187.07576	0.5
189.05438	0.4
198.06847	0.6
201.09171	1.3
203.10765	0.4
203.14409	3.9
213.09227	1.9
216.11526	3.6
229.08673	1.5
231.02917	0.5
231.06532	0.8
231.10361	4.8
231.13875	20.3
231.17555	0.8
232.14224	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1389
Annotation	Laur-11-en-2,10-diol
Peak:m/z	Relative Intensity
57.03447	12.7
70.37443	0.7
70.37770	1.1
79.05537	2.7
83.05024	20.8
97.06584	9.3
107.05038	4.5
108.30433	0.6
120.05801	12.8
121.06101	0.7
133.06599	7.0
135.08159	100.0
136.08508	4.0
146.07368	1.7
147.08153	1.5
152.04802	5.0
157.06618	0.8
159.08191	0.6
161.09715	36.4
162.10094	2.2
173.09703	23.4
174.10020	1.8
185.09767	0.6
203.14374	5.5
213.12839	3.7
216.07872	0.5
231.10162	2.0
231.13885	39.8
232.14191	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	233.0854
Annotation	CHEBI:83082
Peak:m/z	Relative Intensity
55.01880	0.4
57.03448	9.2
59.01383	5.5
62.63280	0.4
64.45491	0.4
65.03960	0.5
69.03461	0.9
71.01378	0.6
71.52588	0.6
73.02925	0.4
79.05530	1.9
79.95717	3.0
80.96545	0.5
83.05022	0.7
85.02961	0.6
85.76586	0.4
88.82533	0.4
91.05524	0.8
93.03459	1.1
95.05069	0.5
95.95220	3.9
96.96011	100.0
97.02956	0.8
105.07121	0.9
107.05066	0.6
109.06594	0.5
117.03465	0.9
117.07108	1.6
119.05033	0.8
119.08652	0.4
119.61709	0.4
121.06621	2.8
121.78756	0.4
122.03761	1.8
123.04517	0.8
130.04259	0.9
131.08658	0.4
133.06606	2.5
134.03760	0.5
135.04517	1.3
135.08148	2.4
136.05365	0.5
143.05029	0.7
143.08679	0.5
144.05777	0.5
145.06604	6.4
145.10223	0.7
147.08191	1.8
148.05298	1.0
149.06064	2.5
150.06805	1.6
151.07603	0.7
155.08667	0.9
157.06595	3.8
158.07324	0.8
159.08145	1.9
161.09711	4.4
162.06859	0.6
163.07631	1.4
169.10173	0.7
170.07343	0.8
171.08168	1.9
172.08942	2.5
173.04510	0.9
173.09703	10.8
175.07631	1.7
175.11336	0.5
176.08459	0.8
177.09158	0.5
178.88297	0.5
181.06541	0.6
182.07367	1.3
183.08076	0.4
185.06071	2.6
185.09700	4.0
186.06769	0.7
187.07607	0.6
187.11360	1.0
189.09198	1.3
191.10822	0.7
197.09720	8.8
198.10161	0.6
199.07719	0.9
200.08417	1.6
201.09225	2.6
203.10768	9.4
204.07912	1.6
205.08772	1.2
205.12317	0.5
215.10768	29.6
215.14374	3.7
216.11081	1.6
218.13115	0.6
219.13951	0.5
223.92770	0.4
233.08519	91.2
233.11906	15.1
233.15422	37.7
234.08871	4.1
234.12164	1.1
234.15744	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27199	0.8
57.03450	17.8
59.01387	1.2
65.12640	0.9
69.34622	2.4
69.35043	5.4
71.01389	1.2
83.01368	1.2
85.02960	0.9
91.05520	1.7
95.05039	1.4
105.07124	2.0
107.05019	6.9
115.05565	2.1
117.03501	1.1
117.07099	2.1
119.08675	0.9
123.04482	2.0
129.07098	1.6
130.04283	1.0
131.05055	2.0
132.05821	20.0
133.06625	4.5
133.10260	1.3
135.04500	1.1
141.07086	3.1
143.05017	17.5
143.08661	3.3
144.05739	1.2
145.06577	1.9
149.06111	6.6
155.05063	1.5
156.05801	9.3
157.06567	6.1
159.04543	1.1
159.08165	11.3
161.06102	3.9
161.09747	1.7
164.04773	11.6
167.08630	5.5
169.06554	5.4
169.10246	2.0
170.07407	10.4
171.04497	2.2
171.08148	30.9
172.08473	1.1
173.04851	1.0
173.06071	6.3
174.06947	1.0
177.05530	13.8
178.06032	1.4
179.07144	22.3
180.05908	1.2
183.04504	2.0
183.08163	3.7
185.06088	5.7
185.09676	8.0
185.15436	1.9
186.06883	1.7
187.03902	1.1
187.07669	7.1
187.11273	31.0
188.08485	2.6
188.11679	1.6
189.05496	1.3
189.09233	10.0
195.08177	6.8
197.06094	7.2
198.06833	13.5
199.04007	1.7
199.07376	1.5
201.05577	6.9
201.07222	1.0
201.07544	1.1
201.09227	9.6
202.06396	2.4
203.10753	1.7
211.07695	1.1
213.09201	61.8
214.09509	4.7
215.07094	4.7
216.07910	13.1
216.11253	1.2
229.08704	5.9
231.10252	100.0
231.16066	3.0
232.10556	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	230.0127
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
53.56646	0.4
69.08151	0.5
70.52442	0.9
70.52782	0.6
79.95736	70.4
90.03491	2.3
91.04269	1.2
92.05065	6.5
106.02980	1.0
110.97601	0.7
118.02989	1.9
120.04555	7.0
132.04562	1.3
134.02480	10.6
135.03284	4.1
150.05605	36.9
151.05945	1.3
174.95195	0.5
197.98651	7.2
198.98911	0.4
217.93448	0.5
230.01276	100.0
231.01581	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	231.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75545	0.4
57.03439	1.4
59.01371	1.1
66.98782	0.4
68.18245	0.4
69.29517	0.7
69.29919	2.7
86.41206	0.4
107.05029	1.5
109.41593	0.4
117.03497	0.5
119.05010	6.3
130.04201	0.4
131.05028	0.9
132.05806	64.8
133.06085	2.2
141.07085	0.4
143.05017	3.0
143.08667	1.3
144.05768	0.7
145.06554	0.9
149.06047	0.6
156.05779	1.3
156.83713	0.4
157.06558	1.4
159.04532	0.5
159.08163	6.1
160.05241	0.4
160.08572	0.5
161.06076	2.3
161.09706	0.7
164.04785	38.0
165.05080	0.9
167.08621	0.6
169.06573	1.1
170.07355	1.6
171.08145	6.3
172.08618	0.6
173.06053	1.6
174.06868	1.0
176.04796	2.4
177.05122	0.4
179.22537	0.5
183.08130	1.4
185.05981	1.3
185.09700	2.2
186.06805	0.5
187.07867	2.1
187.11270	100.0
188.11615	4.8
189.05518	0.6
189.09177	2.5
195.08141	1.9
197.06094	0.9
198.06850	3.6
201.05602	0.6
201.09213	4.5
203.07074	0.4
203.10739	0.6
208.03813	2.1
211.07451	0.4
213.09193	16.1
214.09615	0.6
215.07048	0.5
216.07835	2.5
229.08655	3.2
231.10242	83.7
232.10593	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	231.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12070	1.3
56.49657	1.2
57.03445	11.3
66.29047	1.2
67.17669	1.4
69.53113	8.3
69.53498	1.7
85.26820	1.5
88.15852	1.4
91.05521	4.3
107.05033	5.2
115.05534	3.3
129.07188	1.3
130.04283	2.0
131.05040	2.7
131.54460	1.4
133.06612	2.7
141.07126	3.4
143.05025	23.8
143.08636	5.4
144.05576	2.7
149.06119	7.0
156.05783	11.6
157.06543	3.9
158.07375	1.3
159.04434	1.7
159.08141	13.3
161.06114	1.3
167.08655	5.4
169.06570	8.5
170.07367	14.3
171.04539	2.3
171.08157	37.6
172.08466	2.8
173.06046	2.5
177.05595	13.5
179.07132	25.4
180.07391	1.5
183.04616	2.5
183.08138	5.3
185.06116	9.2
185.09697	10.3
186.06642	1.7
187.07611	6.4
187.80327	1.4
188.08366	1.5
189.09203	5.0
195.08156	7.9
197.06079	10.4
198.06818	21.6
201.05611	8.7
201.09193	6.9
212.08383	1.5
213.09213	79.5
214.09572	5.7
214.11652	1.3
215.07094	5.1
216.07942	15.5
229.08688	5.7
231.10263	100.0
232.10623	5.9
234.62012	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1026
Annotation	Drupanin
Peak:m/z	Relative Intensity
51.93677	0.5
54.64965	0.6
57.03431	0.7
59.01355	0.7
59.26433	0.6
70.12023	2.5
70.16987	0.6
91.07129	0.6
96.28898	0.6
102.90688	0.6
128.07684	0.7
132.05807	67.5
133.06171	1.5
143.04994	0.8
147.04425	0.8
147.08125	0.8
149.06070	0.9
159.17953	0.8
161.06061	1.1
164.04791	44.3
165.05084	1.7
169.06624	0.8
171.08124	1.3
172.05341	0.6
173.06046	1.5
174.06798	1.1
176.04778	2.8
185.06079	0.7
185.09598	0.8
187.07860	3.0
187.11275	100.0
188.08461	1.0
188.11617	4.6
189.09209	1.9
198.06938	0.9
201.05574	0.9
202.06393	1.7
206.07478	0.6
208.03828	1.4
213.09201	5.3
215.07071	1.0
216.07913	1.6
216.11554	0.7
231.10248	78.7
231.13968	3.8
232.10518	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	227.1289
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
52.17111	0.5
55.17518	0.4
57.03444	0.9
59.01376	0.8
61.14738	0.5
66.95847	0.5
67.01872	0.5
69.03440	0.5
70.28451	2.2
71.05021	10.2
73.02935	0.5
80.02666	1.9
81.03448	1.7
83.01418	0.6
83.05021	7.6
84.02171	3.7
93.03368	0.5
95.05041	1.1
97.06615	1.3
109.06554	0.7
110.28310	0.5
111.08175	0.6
118.74709	0.5
125.06093	0.9
125.09737	0.6
125.78210	0.5
133.10168	1.2
135.08142	1.1
135.11803	6.7
137.09697	1.3
153.12845	2.1
155.10780	0.8
161.46280	0.5
163.11285	5.9
165.09193	0.6
165.12857	7.2
179.10797	3.1
181.12366	1.2
183.13893	7.0
188.42673	0.5
191.10750	2.4
195.61388	0.5
209.11826	100.0
210.12158	5.2
220.82469	0.5
227.03459	1.2
227.09352	0.9
227.12889	11.7
227.20212	1.5
228.13068	1.0
231.49670	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03426	0.6
69.97333	2.2
70.06842	0.5
71.04967	0.4
83.05023	0.8
85.02945	1.1
98.19978	0.7
106.45058	0.5
125.09711	2.3
127.11267	4.2
128.69553	0.6
155.14333	0.6
160.13930	0.5
167.14371	2.4
171.10245	4.0
175.34164	0.4
183.13887	2.1
184.30006	0.4
193.12311	1.3
209.11786	3.2
211.13370	13.0
212.13722	1.1
229.14430	100.0
230.14760	5.1
233.26993	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
53.67241	0.4
55.74783	0.3
57.03439	2.0
64.72199	0.3
70.33030	1.4
71.05019	0.6
83.05033	0.5
84.02151	0.4
85.02945	0.7
95.18971	0.5
97.06573	0.7
125.09731	3.2
127.11284	4.4
128.17699	0.3
155.14449	2.2
158.03453	0.3
159.08133	0.4
165.12755	0.5
167.14392	1.0
171.10245	4.8
172.05258	0.5
183.13910	1.0
183.87791	0.3
187.07767	0.4
198.68631	0.4
209.11803	3.5
211.13431	7.4
212.13582	0.4
229.08710	2.3
229.14426	100.0
230.14824	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	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
54.86872	0.4
69.53063	3.0
99.92589	0.8
116.15494	0.4
131.80690	0.4
139.11360	0.7
165.12823	1.0
167.14401	38.8
168.14758	1.6
171.04582	0.8
183.08165	0.8
185.05943	0.7
185.09685	1.0
185.15506	1.0
186.06772	0.6
187.07593	0.5
201.05556	0.5
201.09134	0.6
211.13376	61.6
212.13704	2.6
214.09918	0.6
229.08838	3.8
229.14421	100.0
230.14763	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54942	0.8
65.18282	0.8
67.01888	1.7
68.99820	1.1
69.18468	8.7
80.15173	0.8
82.00602	7.4
83.05024	1.1
92.02656	9.2
93.03461	25.1
95.01388	24.9
107.05016	2.3
108.02174	48.6
109.02478	1.6
121.02954	21.6
123.00867	1.8
128.09525	0.9
136.01657	54.3
137.02034	0.9
163.11349	1.0
165.12846	4.5
165.76283	0.8
181.06668	0.8
183.08151	3.9
183.13904	24.6
184.14285	1.0
189.22659	0.8
197.06049	4.8
199.07664	2.8
209.11765	5.4
227.07124	100.0
227.12846	5.1
227.20174	1.4
228.07443	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	227.1286
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
57.03430	0.4
69.35435	1.1
69.35842	1.6
71.05032	0.8
80.02676	2.4
80.80428	0.4
81.03455	2.3
83.05025	8.3
83.28456	0.4
84.02172	3.0
84.05361	0.3
85.68306	0.4
89.21481	0.4
93.03477	0.5
95.05013	1.1
109.06541	0.3
116.28610	0.4
125.06070	0.8
135.08131	1.1
135.91055	0.4
142.44470	0.4
147.11800	0.4
153.40591	0.4
158.45879	0.4
163.11295	5.4
165.12854	5.0
181.12392	1.3
183.13812	2.1
191.10777	1.7
199.13411	1.0
209.11813	100.0
210.12170	4.8
227.07089	1.9
227.12856	4.3
227.20155	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
67.84234	0.6
69.32365	0.5
69.40758	0.4
69.40970	1.6
69.41385	2.6
80.02661	2.4
81.03466	1.3
83.05022	6.8
84.02163	4.1
86.38910	0.5
91.19015	0.5
95.05015	0.9
103.61645	0.7
106.04242	0.6
121.56107	0.6
124.80826	0.5
125.06107	1.1
125.09743	0.5
135.08151	0.6
147.11719	0.8
163.11299	6.6
165.12813	5.0
181.12338	1.2
183.13837	1.6
191.10768	1.0
209.11807	100.0
209.88062	0.5
210.12157	4.6
222.77029	0.6
227.07133	0.5
227.12849	2.8
241.39835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37740	0.1
55.54306	0.1
57.03435	0.4
69.03461	0.2
71.05025	0.1
83.05025	0.2
97.59801	0.1
111.08163	1.1
118.08548	0.1
118.41523	0.1
121.02953	0.4
129.44093	0.1
165.12842	18.3
166.13188	0.7
181.12343	0.3
183.13893	100.0
184.14235	4.7
191.10744	0.2
209.11829	2.5
210.11978	0.2
227.12878	15.2
228.13158	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03450	0.5
57.17418	0.3
69.56836	1.9
97.06620	0.3
98.19904	0.5
111.08190	0.7
165.12843	19.7
166.13170	1.4
183.13890	100.0
184.14226	5.6
209.11853	1.4
227.12877	17.2
228.13202	1.3
240.62224	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
57.03446	1.1
57.42363	0.2
58.00591	0.4
59.01378	100.0
60.01722	0.9
60.99308	0.3
69.73120	1.1
69.73537	0.4
71.05025	0.7
79.87195	0.2
79.95741	0.4
80.02709	0.3
81.03515	0.3
83.05040	0.7
95.05042	0.7
97.06602	0.9
114.77467	0.2
130.97559	0.2
137.09743	0.5
137.49171	0.2
139.07649	0.4
155.10760	0.7
163.11287	0.6
165.12874	2.3
167.10768	0.8
173.09544	0.3
181.12219	0.2
183.13914	3.4
199.13368	2.9
209.11813	5.5
210.12123	0.5
216.97554	0.2
227.00198	0.6
227.12875	25.4
227.16560	1.0
227.20216	0.9
228.13152	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
64.24610	0.5
67.01894	1.0
68.99808	1.1
69.03448	1.0
69.43655	1.0
69.44063	2.4
82.00601	6.1
83.05006	0.5
83.28777	0.5
92.02663	8.6
93.03466	4.8
95.01387	32.1
96.96008	1.0
108.02176	59.3
109.02495	1.2
121.02953	5.0
123.00876	2.2
136.01663	57.5
137.02008	1.8
139.00359	0.6
143.99420	0.5
164.34912	0.5
165.12848	4.4
183.08171	5.6
183.13893	22.2
184.14223	0.6
197.06065	0.8
199.07648	1.5
199.13553	0.5
209.11809	6.9
227.07133	100.0
227.12827	5.4
227.20107	2.0
228.07460	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	225.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.9
57.99375	0.6
58.98095	0.5
59.01388	1.6
60.30984	0.6
68.11848	0.6
69.03446	1.1
71.05021	7.9
71.52484	1.0
73.02941	1.2
81.03456	2.3
82.52394	0.6
83.05050	0.9
93.03457	1.3
95.05029	4.1
97.02953	4.2
97.06611	0.8
99.04536	2.0
99.08158	0.9
109.06603	4.2
111.04523	2.5
111.08155	0.6
113.09757	1.2
121.06552	0.6
122.03745	1.3
123.08146	2.1
125.06096	1.2
135.08151	2.3
136.05322	1.5
137.06093	1.7
137.09683	3.7
138.06871	52.7
139.07300	2.1
149.09692	1.1
151.07651	1.6
151.11325	0.7
152.08473	0.8
153.09213	100.0
154.09549	4.5
155.10768	1.0
163.11282	2.5
165.12859	1.6
181.12360	3.2
188.07883	0.7
189.12967	0.7
192.11546	1.2
207.10295	2.3
207.13889	10.2
225.11626	7.0
225.14960	52.1
226.15312	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	225.1608
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
57.03452	0.5
59.01368	1.4
61.98810	0.7
63.01287	0.4
63.32467	0.5
65.91393	0.5
69.03457	0.5
71.50610	0.7
72.04536	1.4
77.88584	0.6
79.95740	1.3
80.05047	1.1
80.96472	0.6
81.03457	17.4
83.05025	92.1
84.05358	2.0
87.04496	1.0
93.03467	2.3
96.96012	59.4
97.23918	0.5
99.08166	5.7
100.08486	0.5
107.06131	0.7
108.04547	1.7
111.02009	1.0
119.08661	1.6
123.00842	0.8
125.06049	0.5
125.07214	3.6
126.05559	0.5
126.90475	0.6
135.04549	0.6
137.02431	1.5
137.09741	0.8
138.09277	0.7
143.07314	0.6
143.08287	3.3
145.08714	33.5
146.09053	0.9
150.00217	0.8
151.00443	0.9
154.12355	4.8
163.07677	1.0
165.01909	0.9
165.05469	0.7
166.12375	0.5
180.04301	1.0
181.01433	0.6
181.04953	0.5
181.08679	0.8
182.08226	0.8
182.11797	2.1
185.68002	0.6
195.02969	2.0
195.06612	0.9
196.03468	0.5
206.99338	0.6
207.10135	0.7
207.15022	11.6
210.05321	2.5
224.90573	0.7
225.00581	1.2
225.04370	43.9
225.07866	2.5
225.11540	2.4
225.16077	100.0
226.04649	1.3
226.10817	1.4
226.16441	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	225.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.5
67.16444	0.5
69.03432	0.6
70.27673	1.9
71.05016	0.8
73.02941	0.9
73.59998	0.4
78.16811	0.5
83.05016	1.1
93.03474	0.7
97.02357	0.7
97.02954	11.8
98.20580	0.5
99.00886	2.8
100.96758	0.5
107.05048	0.5
109.06598	5.1
110.03729	4.8
123.04486	0.7
123.08134	0.6
125.09706	1.7
135.08131	2.0
136.05284	2.9
137.04301	2.1
142.02722	6.1
161.09686	1.7
163.11287	13.6
164.11626	0.6
165.01727	0.4
167.54260	0.5
179.10696	1.3
181.12346	39.9
182.12720	1.3
197.11823	1.9
207.10262	79.1
208.10651	3.9
225.11325	100.0
226.11612	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	225.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78321	0.4
59.01365	0.7
69.43751	0.4
72.04536	1.4
72.47824	0.5
79.95736	1.9
80.96487	0.5
81.03463	5.5
83.05022	25.1
93.03461	1.2
95.95214	0.5
96.96011	100.0
99.08166	7.1
107.94210	0.4
109.02985	0.5
109.06610	0.5
111.01997	0.8
119.08649	0.8
123.00882	0.8
123.04492	0.6
125.07217	1.5
137.02460	1.1
137.09720	0.6
143.07155	1.0
143.08258	1.4
145.08710	49.8
146.09007	1.2
151.03999	0.6
154.12373	5.5
163.11279	0.8
165.00352	0.5
165.01891	0.8
165.05415	0.5
180.04279	0.7
180.10312	0.8
181.08684	0.7
182.11841	2.6
186.91063	0.4
195.03003	1.6
207.15034	3.9
210.05276	1.1
225.04372	72.6
225.07858	2.3
225.11369	1.5
225.16074	30.3
225.62477	0.4
226.04700	2.0
226.10867	2.4
226.16306	1.3
229.41980	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1131
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.37779	2.1
55.01874	3.1
57.03444	26.7
69.75170	12.0
71.78326	2.3
72.56715	2.0
79.05542	3.2
83.05023	18.8
85.02947	9.0
85.06586	8.4
93.07101	5.8
95.05007	6.6
96.96007	69.6
97.06586	97.9
98.00098	47.9
98.06935	4.0
98.20541	4.7
99.00375	2.6
99.00893	33.9
99.08162	6.6
107.05006	6.3
109.06564	6.7
111.08147	28.1
112.08418	2.7
121.06593	13.1
123.08156	7.7
125.02435	8.4
126.89359	2.6
135.08177	9.2
143.98453	2.3
145.08713	16.0
145.10228	6.3
147.08130	3.2
149.09663	4.0
151.11270	53.5
151.12485	2.7
153.12816	9.0
161.09668	4.5
163.09888	3.6
163.11276	71.7
164.11621	4.5
179.10646	2.9
181.12329	34.5
195.02988	3.4
195.10242	4.8
207.10158	5.6
210.05351	5.9
225.04294	11.5
225.07779	6.4
225.11298	100.0
226.11702	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	223.061
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
59.01372	2.1
71.01374	1.9
71.52184	0.9
73.02951	5.3
80.19738	0.6
85.02946	0.8
93.03455	99.1
94.03787	2.2
95.01365	0.9
96.96004	4.1
108.02139	0.7
118.06615	0.7
121.02963	0.9
125.91480	0.5
135.04469	0.7
136.01639	1.9
137.02440	100.0
137.09682	0.7
138.02771	2.9
138.06862	0.6
149.02386	1.4
152.07158	0.9
163.03938	0.5
165.01907	0.6
179.07205	0.7
179.10768	0.7
180.06644	0.8
193.01352	1.6
208.03798	1.3
223.02715	1.0
223.06133	13.7
223.09727	1.2
223.13414	0.9
224.06477	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1339
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03444	1.3
59.01385	5.9
68.61137	1.0
69.03455	8.9
69.57317	7.2
71.05027	3.2
71.51758	1.1
83.05030	1.6
85.06595	1.2
85.45794	1.0
95.04993	1.5
96.96967	1.0
98.20646	1.3
109.06591	1.4
125.09720	1.3
135.11832	1.2
149.09749	2.7
153.38390	1.1
167.10791	12.1
175.72791	1.0
177.12881	1.8
179.10776	4.7
179.14403	11.2
195.13907	32.0
196.14214	2.2
205.12347	23.1
223.13393	100.0
224.13707	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99479	0.3
57.03431	0.4
59.01372	0.6
60.13061	0.2
68.21603	0.3
68.92776	0.2
69.03465	0.3
70.58514	0.6
79.95741	0.6
80.96544	0.3
83.05013	1.0
92.19551	0.3
93.03432	0.7
96.96011	100.0
97.06590	1.4
98.00082	0.5
99.00865	0.5
99.08154	6.0
109.03005	0.3
111.08110	0.4
121.06612	0.5
123.08145	0.9
125.02441	0.3
137.02469	0.5
137.09718	0.4
145.08705	17.1
146.09067	0.5
151.11267	0.6
152.08432	0.5
153.09293	0.3
163.11296	1.0
165.01883	0.5
181.08728	0.3
181.12361	0.8
195.03004	0.5
195.06696	0.3
207.10213	0.7
210.05270	0.4
225.04362	13.6
225.07887	0.9
225.11313	2.8
225.14865	0.4
226.04781	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39370	0.3
57.49131	0.3
59.01374	1.9
69.44311	1.4
69.44729	0.8
71.01380	0.5
71.05039	0.3
73.02957	0.8
80.05122	0.3
87.00852	0.4
87.02733	2.4
97.46072	0.3
101.42211	0.3
101.57661	0.3
113.02416	0.4
115.05888	0.3
130.19318	0.3
131.05328	1.5
133.06929	100.0
134.07295	2.5
145.79376	0.4
177.05693	0.3
177.18800	0.3
177.99072	0.5
181.72923	0.3
190.99898	0.3
191.76012	0.3
205.98470	1.0
206.02142	0.4
221.08501	16.2
221.11823	0.8
222.08775	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1546
Annotation	Kobusone
Peak:m/z	Relative Intensity
59.01370	0.3
69.19714	0.7
69.20135	0.6
71.54409	0.2
83.19242	0.1
98.19935	0.3
127.07629	0.6
148.05331	0.4
149.05959	0.5
151.07643	0.4
151.13770	0.1
158.11621	0.2
164.08408	2.2
165.09027	0.2
168.60953	0.1
205.12312	2.0
206.12689	1.0
207.13968	0.9
219.37950	0.2
220.14684	4.2
221.15446	100.0
222.15799	6.1
235.13356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.4
60.01701	1.2
61.98824	0.8
70.40264	0.7
70.40649	1.0
71.01380	12.4
71.05017	19.3
72.00893	0.7
88.04040	100.0
89.04372	1.0
99.04518	6.2
100.98816	0.5
115.00365	1.0
116.03525	0.6
116.07156	2.5
129.05627	1.0
133.01424	0.9
139.03957	0.6
140.52361	0.4
146.08229	51.2
147.08571	1.2
174.05583	1.3
175.99492	0.5
218.00716	1.0
218.04446	0.5
218.10313	22.5
219.02986	0.5
219.10568	0.8
219.17493	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	219.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
65.04926	0.4
70.27202	1.1
70.48171	0.4
71.05035	0.9
75.43141	0.4
98.20598	0.7
107.05044	0.9
117.03450	1.2
119.05025	4.2
121.02968	1.7
126.53732	0.5
134.03743	1.4
135.04527	0.8
143.05037	1.1
147.08261	0.5
148.05290	5.4
149.06087	3.9
157.06590	0.8
159.08127	2.3
161.06079	25.9
161.09697	0.6
162.06473	1.2
163.75180	0.4
171.04536	0.8
175.03954	0.8
175.07655	0.6
175.11258	0.7
180.04283	5.3
185.06078	13.7
186.06694	1.4
189.09180	1.7
191.07217	0.5
199.07637	1.1
201.09203	67.5
202.09514	3.7
203.07115	2.8
205.25795	0.5
219.06685	2.7
219.10249	100.0
219.17497	14.9
220.10609	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	217.0176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.01379	45.6
61.98824	1.8
71.01360	0.5
71.50947	0.6
73.02953	0.8
79.95726	2.5
85.02985	0.6
87.00858	0.4
90.97150	0.6
95.05029	0.5
96.00938	0.4
96.96011	100.0
97.06597	1.4
99.08149	0.4
100.98795	0.5
101.06128	0.6
107.04996	0.4
109.82269	0.5
119.05032	0.9
120.45190	0.4
124.89129	3.7
129.05501	0.4
129.09201	1.3
130.08698	0.4
131.03761	0.5
132.98212	1.0
137.02441	1.4
137.06070	1.0
137.09758	0.6
144.00690	0.4
144.04500	0.6
157.08681	0.4
173.06081	0.4
173.11870	0.6
174.05586	1.4
174.99240	12.0
175.09808	2.9
175.99678	0.6
188.89458	1.9
189.09253	0.5
190.05074	0.6
199.09688	0.8
209.45782	0.4
217.00194	7.4
217.01770	16.0
217.05081	1.1
217.10812	4.7
218.02231	0.5
218.04657	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.108
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
57.03433	1.0
59.01378	63.8
60.01701	0.5
65.31319	0.4
71.01380	0.6
71.05718	0.9
71.06046	0.5
72.62949	0.5
73.02968	0.5
76.67870	0.4
79.95741	0.5
82.82165	0.5
83.05005	0.5
85.02959	0.5
87.04514	1.1
88.86263	0.5
93.27332	0.5
96.96010	7.4
97.06579	0.6
99.08146	6.0
109.06525	0.7
111.08145	1.5
127.07662	1.4
129.09216	22.4
130.09566	0.7
137.09724	0.9
145.62326	0.5
150.50224	0.5
152.05400	0.6
155.10782	1.7
157.08690	13.4
158.09077	0.8
173.08113	0.9
173.11844	0.7
174.99234	2.4
175.09749	100.0
176.10060	3.4
199.09662	2.5
202.02742	0.6
217.00195	1.5
217.05060	1.0
217.08820	0.6
217.10751	9.1
217.12616	0.6
218.04601	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1076
Annotation	Liguhodgsonal
Peak:m/z	Relative Intensity
55.01871	2.1
57.03447	32.9
65.03964	3.8
66.76206	0.4
67.01861	0.6
69.03447	1.6
69.47544	3.0
70.60924	0.4
79.05545	2.1
81.03452	0.6
83.05025	1.8
88.10028	0.5
89.03972	0.8
91.05527	0.8
93.03447	0.7
95.05029	0.8
97.01871	0.4
97.02946	1.7
103.05546	1.2
105.07097	2.1
106.04212	0.5
107.05069	2.0
117.03466	0.9
117.07115	6.7
119.04969	1.1
119.08641	1.2
121.06597	5.5
122.06936	0.6
122.89426	0.5
123.04530	1.7
129.07083	1.3
130.04248	4.4
131.05019	1.8
131.08653	1.3
133.06573	1.2
143.05008	2.0
144.00919	0.7
144.05824	2.0
145.06589	23.7
145.10243	2.1
146.07018	0.9
147.04535	0.6
147.08163	1.0
148.05249	0.6
149.06116	3.5
155.08633	1.8
156.05798	1.3
157.06583	19.8
158.07401	3.6
159.04555	0.6
159.08150	1.0
163.07635	0.6
167.05089	0.7
169.10191	1.3
170.07346	0.8
171.08154	8.8
172.05305	0.7
172.08939	5.5
173.06000	1.2
173.09706	43.8
174.10086	3.1
175.07637	0.5
181.06587	1.4
182.07347	2.4
184.05215	0.6
185.06068	13.9
185.09705	0.7
186.06747	2.3
187.07623	1.7
187.11243	2.5
189.09271	0.7
195.08136	1.2
197.09706	22.1
198.10025	1.3
199.07655	4.5
200.08424	8.6
201.08920	0.5
204.07899	4.1
213.09196	1.0
215.01003	3.7
215.10756	100.0
216.11166	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	215.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
57.03443	7.1
59.01363	2.5
61.98825	2.6
65.03977	0.9
69.03436	2.1
71.01365	0.8
71.05035	0.8
71.53585	0.8
74.29451	0.6
78.91795	0.7
79.95733	0.8
81.03467	1.1
83.05024	0.9
93.03455	0.8
95.05016	1.4
99.00923	1.4
99.92565	0.8
105.07112	1.1
107.05036	0.9
109.02919	0.9
117.07102	2.7
119.05004	1.0
121.06585	2.2
122.89429	11.3
130.04202	1.1
131.05042	2.3
131.08611	1.8
133.06592	3.2
143.05031	1.4
144.00917	8.4
144.05821	2.3
145.06592	6.0
145.10225	1.1
147.08141	2.4
153.07129	0.9
153.12897	0.8
155.08607	2.3
156.05777	1.2
156.97775	1.0
157.06590	12.8
158.03732	1.5
158.07385	9.1
159.04518	2.0
159.08128	4.7
163.07684	1.5
169.10242	1.4
170.07349	0.8
171.01904	1.3
171.08156	12.6
171.11833	1.1
172.00426	0.9
172.05316	1.8
172.08942	4.2
173.06119	6.6
173.09708	51.7
174.10092	2.9
181.06549	1.5
182.07382	2.3
185.06068	21.4
185.09724	2.6
186.06699	2.2
186.89781	6.6
187.07660	5.4
187.11269	3.3
195.08252	1.1
197.09717	23.7
197.11536	0.9
198.06937	0.9
198.10060	1.2
199.07632	6.4
200.04736	2.3
200.08423	15.1
201.08868	1.6
213.09210	2.8
214.09831	0.8
215.00984	58.1
215.07193	7.4
215.10762	100.0
215.12589	4.0
215.16487	2.8
216.01282	3.1
216.11101	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	215.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
57.03445	31.1
58.03782	0.8
62.52612	0.7
65.03974	3.7
69.03439	1.7
71.01377	0.9
71.02149	2.0
79.05511	1.8
81.34907	0.7
83.05041	1.1
83.16571	0.7
85.47625	0.7
91.05524	2.0
93.03403	1.3
95.05010	1.0
97.02940	1.9
105.07104	2.1
106.04273	0.8
107.05020	1.7
109.96205	0.7
111.09116	0.7
114.18925	0.7
115.05489	1.0
117.03440	1.1
117.07121	7.3
119.05012	1.6
121.06605	4.5
122.89452	1.3
123.04567	1.4
129.07121	2.0
130.04234	5.0
131.05063	1.6
131.08672	1.8
133.06604	1.2
135.89738	0.7
143.05017	1.9
144.00908	2.0
145.06584	23.8
145.10228	1.7
146.06923	1.0
147.08191	0.9
149.06050	2.8
155.08650	2.1
156.05809	1.4
157.06570	18.5
158.07281	2.9
159.04480	0.9
159.08118	2.3
161.05980	0.8
162.78004	0.8
163.07599	1.0
169.06573	1.9
169.10231	0.8
171.04613	0.9
171.08157	9.6
172.05299	3.1
172.08934	5.1
173.09702	43.9
174.10037	2.3
181.06602	1.9
182.07301	2.2
185.06061	11.7
185.09709	0.8
186.06793	3.1
187.07646	7.0
187.11267	2.5
195.08223	1.3
197.09712	19.4
198.10109	1.4
199.07657	4.3
200.04829	1.2
200.08415	7.3
204.07863	4.2
213.09206	1.6
215.00983	10.1
215.07204	5.0
215.10748	100.0
216.07780	0.9
216.11099	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	215.1075
Annotation	Liguhodgsonal
Peak:m/z	Relative Intensity
55.01870	2.0
57.03448	32.8
57.27034	0.4
61.28595	0.5
65.03967	3.9
69.03446	2.0
69.37411	1.6
69.37838	1.9
71.01380	1.1
74.44006	0.4
79.05520	1.9
81.03448	1.1
81.07545	0.4
83.05022	1.8
89.03976	0.9
91.05522	1.5
95.05004	1.0
97.02955	1.5
98.19870	0.5
103.05577	0.6
105.07091	1.7
106.04298	0.5
107.05029	1.4
107.80288	0.4
111.57606	0.4
115.05550	0.8
117.03465	1.0
117.07105	7.0
119.05016	1.6
119.08643	1.3
121.06589	5.0
123.04541	1.3
129.07092	1.1
130.04254	4.6
131.05034	2.5
131.08688	1.7
133.06593	1.5
135.04480	0.5
141.07060	0.5
143.05023	2.6
143.08627	0.7
144.00896	0.7
144.05803	1.8
145.06595	25.6
145.10251	1.5
146.07018	1.0
147.04510	0.9
147.08170	1.8
149.06071	3.5
150.06833	0.6
155.08664	2.6
156.05792	1.9
157.06583	20.3
158.07372	3.0
159.04483	1.0
159.08134	2.7
163.07669	0.7
167.04965	0.6
169.06584	1.6
169.10233	1.6
171.04544	1.6
171.08147	9.3
172.05263	3.8
172.08948	4.6
173.06024	1.9
173.09709	42.6
174.06934	0.6
174.09991	2.3
175.07684	0.5
181.06575	0.9
182.07376	2.4
184.05307	0.5
185.06079	15.3
185.09668	0.6
186.06766	2.2
187.07649	9.5
187.11252	2.0
188.04778	1.3
188.08109	0.6
189.09077	0.7
195.08110	1.3
197.06064	1.0
197.09720	22.0
198.10040	1.4
199.03941	1.1
199.07649	4.6
200.04739	1.3
200.08405	9.0
201.05540	1.4
204.07887	4.3
205.08348	0.5
213.05600	1.3
213.09195	1.6
214.09885	0.5
215.01013	5.2
215.07185	7.2
215.10762	100.0
216.07779	1.5
216.11134	5.5
218.05748	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1439
Annotation	Mutisianthol
Peak:m/z	Relative Intensity
57.03435	0.9
63.70237	0.6
75.00867	1.2
81.07072	2.0
85.24489	0.7
87.88550	0.6
96.99303	0.8
99.00864	1.3
107.05061	1.4
122.89407	2.2
133.06596	20.0
144.00874	5.1
147.08139	2.1
166.06293	0.8
171.04575	0.7
171.08156	1.0
173.09720	1.2
179.32481	0.7
186.89764	1.0
197.09668	0.9
200.12057	2.7
215.00974	35.9
215.14383	100.0
216.01268	1.4
216.14685	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	215.1077
Annotation	Liguhodgsonal
Peak:m/z	Relative Intensity
55.01882	1.3
57.03452	6.1
58.29963	0.5
59.01376	1.9
61.98832	3.2
64.10246	0.5
65.00314	0.5
69.03461	1.5
69.52461	4.3
71.01393	0.6
71.05039	1.2
73.67350	0.5
78.77869	0.5
79.05507	0.7
81.03467	0.9
85.02986	0.7
93.03457	0.9
95.05032	1.6
97.02962	0.8
99.00880	1.7
101.06073	3.4
105.07068	0.7
107.04992	1.2
117.07115	1.7
121.06576	2.1
122.89430	11.8
129.07089	0.9
130.04265	0.9
131.05022	2.6
131.08664	1.2
133.06569	4.1
143.05005	1.1
144.00923	6.9
144.05811	1.9
145.06581	5.0
145.10287	0.7
147.08173	1.3
153.12740	0.6
155.08659	2.2
155.72386	0.6
156.05814	2.1
156.97763	0.9
157.06590	15.4
158.03697	1.7
158.07375	9.2
159.04517	1.2
159.08141	4.0
161.06068	0.9
163.07619	1.7
169.06578	0.6
169.10254	2.1
170.07376	1.2
171.02019	1.7
171.08139	14.2
171.11772	0.6
172.05246	1.2
172.08958	5.1
173.06133	6.5
173.09705	56.9
174.10083	2.7
175.07594	1.3
181.06561	1.5
182.07295	2.6
185.06073	24.2
186.06862	3.0
186.89786	6.3
187.07637	6.0
187.11295	3.4
195.08089	1.7
197.09715	28.1
198.06882	0.8
198.09979	1.0
199.07616	9.1
200.08414	17.5
201.08771	1.2
213.09238	3.0
214.09926	0.9
215.00983	49.3
215.07193	6.8
215.10759	100.0
215.14342	6.6
216.01257	2.0
216.11189	4.8
216.14700	0.7
228.89200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
57.03454	6.3
59.01369	2.4
61.98828	1.6
65.00321	1.4
65.03961	0.8
68.99847	0.8
69.03469	1.1
71.01408	0.8
71.05022	0.8
71.52941	1.0
75.00877	1.1
75.76193	0.8
79.05534	1.8
81.03483	0.7
84.99313	0.7
91.05543	1.3
93.03472	1.2
95.05057	0.9
99.00864	1.4
101.02458	0.7
105.07107	1.4
107.05032	1.2
115.92123	0.7
117.07102	2.8
121.06577	2.6
122.89408	6.0
129.07166	1.3
130.04245	1.1
131.04977	1.4
131.08669	1.3
133.06581	2.3
133.21440	0.7
135.04575	0.7
143.05020	1.5
144.00911	9.0
144.05782	1.1
145.06612	6.4
145.10309	0.7
147.08163	2.5
155.08643	3.1
156.05777	2.1
157.06590	12.5
158.03761	0.9
158.07359	6.5
159.04510	1.4
159.08197	4.2
169.10207	1.9
171.02014	2.1
171.04500	0.9
171.08144	19.9
171.11794	1.1
171.13872	2.3
172.00372	0.9
172.05276	2.3
172.08891	4.1
173.06108	6.7
173.09706	51.3
174.06787	1.0
174.10046	2.1
181.06610	1.3
182.07365	1.9
185.06075	23.0
185.09651	1.5
186.06772	2.2
186.89755	4.3
187.07690	6.4
187.11284	17.1
188.11670	0.8
195.08122	1.0
196.09091	0.9
197.09720	23.9
198.06876	1.3
198.10046	1.6
199.07648	7.1
200.04727	0.8
200.08409	16.1
201.08777	1.3
210.74231	0.8
213.09164	3.3
215.00990	57.5
215.07167	8.7
215.10767	100.0
216.01231	2.2
216.11156	6.8
218.69177	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
57.03445	31.1
58.03782	0.8
62.52612	0.7
65.03974	3.7
69.03439	1.7
71.01377	0.9
71.02149	2.0
79.05511	1.8
81.34907	0.7
83.05041	1.1
83.16571	0.7
85.47625	0.7
91.05524	2.0
93.03403	1.3
95.05010	1.0
97.02940	1.9
105.07104	2.1
106.04273	0.8
107.05020	1.7
109.96205	0.7
111.09116	0.7
114.18925	0.7
115.05489	1.0
117.03440	1.1
117.07121	7.3
119.05012	1.6
121.06605	4.5
122.89452	1.3
123.04567	1.4
129.07121	2.0
130.04234	5.0
131.05063	1.6
131.08672	1.8
133.06604	1.2
135.89738	0.7
143.05017	1.9
144.00908	2.0
145.06584	23.8
145.10228	1.7
146.06923	1.0
147.08191	0.9
149.06050	2.8
155.08650	2.1
156.05809	1.4
157.06570	18.5
158.07281	2.9
159.04480	0.9
159.08118	2.3
161.05980	0.8
162.78004	0.8
163.07599	1.0
169.06573	1.9
169.10231	0.8
171.04613	0.9
171.08157	9.6
172.05299	3.1
172.08934	5.1
173.09702	43.9
174.10037	2.3
181.06602	1.9
182.07301	2.2
185.06061	11.7
185.09709	0.8
186.06793	3.1
187.07646	7.0
187.11267	2.5
195.08223	1.3
197.09712	19.4
198.10109	1.4
199.07657	4.3
200.04829	1.2
200.08415	7.3
204.07863	4.2
213.09206	1.6
215.00983	10.1
215.07204	5.0
215.10748	100.0
216.07780	0.9
216.11099	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	213.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.5
57.92407	0.4
60.08805	0.5
70.14159	1.6
99.87998	0.4
129.14136	0.5
143.05049	1.2
167.14418	0.9
170.07440	0.7
171.08147	3.1
177.12834	0.6
183.08176	0.5
183.13885	9.0
184.14249	0.6
185.06065	0.9
185.09752	0.5
195.08115	1.4
195.13887	19.0
196.14221	1.1
198.06880	1.8
211.07690	0.5
211.13367	1.3
212.08180	0.6
213.09270	11.2
213.14943	100.0
214.09445	0.8
214.15295	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1496
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
50.15887	0.4
56.16586	0.3
57.03432	0.4
57.65768	0.4
59.01381	0.4
69.54909	1.9
76.35386	0.3
98.20641	0.5
104.13859	0.3
127.70280	0.4
171.08234	0.4
172.12978	0.3
177.12863	0.4
183.13895	31.0
184.14258	2.1
185.09703	0.3
195.13898	24.6
196.14227	1.3
198.06963	0.5
211.13351	0.9
213.09410	3.3
213.14952	100.0
214.15305	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	214.1085
Annotation	2-Amino-9,10-epoxy-8-oxodecanoic acid
Peak:m/z	Relative Intensity
55.01871	1.2
56.35979	0.8
57.03449	3.7
59.01369	0.7
65.10696	0.6
69.86182	2.9
72.04549	24.1
82.06601	1.3
83.01382	1.6
87.04517	1.8
100.33591	0.8
125.50306	0.8
135.04495	0.9
136.57887	0.7
140.10826	5.8
142.12372	100.0
143.12749	3.8
168.10292	41.7
169.10626	0.9
170.11859	43.2
171.12119	1.6
193.15332	0.8
214.10843	30.7
215.01033	1.5
215.09299	1.1
215.11067	1.4
215.12839	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	215.0923
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
53.12458	0.9
56.90929	0.9
59.01379	100.0
69.03459	1.0
69.66071	3.5
69.66476	2.1
71.05030	0.9
72.99304	1.6
83.05036	1.2
87.04510	2.7
91.44852	0.9
97.06573	1.7
99.00874	3.8
111.08175	11.7
112.08525	1.0
118.37659	0.9
122.89426	1.5
125.09717	3.1
127.11246	1.2
135.08131	1.8
144.00899	1.4
153.09207	19.2
155.07126	16.9
168.88770	1.0
171.10269	44.6
172.10649	1.5
197.08235	6.0
214.98988	1.4
215.00984	18.7
215.03075	1.7
215.07124	2.4
215.09204	42.1
215.12798	2.6
216.09706	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	213.092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66228	0.8
52.95793	0.7
57.03447	15.3
65.78175	0.8
67.01884	7.0
68.40884	0.8
69.78112	1.2
69.78519	3.0
73.55743	0.7
74.23946	0.7
91.05512	1.6
93.03437	0.9
95.22094	0.7
98.19933	0.7
129.07133	2.1
130.04266	2.3
131.05045	0.9
133.06630	1.1
141.07101	1.6
143.05023	11.8
143.08632	4.8
145.06589	1.1
156.05809	14.6
157.06604	4.2
159.08142	3.0
167.08665	3.1
169.06598	10.8
169.12347	3.1
170.07381	15.1
171.08159	52.0
172.05298	1.3
172.08539	3.4
173.06012	1.1
180.05792	2.4
183.04503	1.4
183.08150	3.6
184.05273	1.1
185.06059	4.8
185.09737	8.0
186.06578	1.0
194.07434	1.2
195.08141	17.5
195.09897	1.5
197.06071	9.3
198.06844	24.7
199.07111	1.5
211.07585	5.8
212.08315	2.5
213.09204	100.0
214.09552	4.9
223.97287	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26056	0.7
57.03452	6.5
67.01892	5.4
69.03474	1.1
69.35405	5.1
69.35804	1.2
76.38467	0.7
93.03439	1.5
98.19886	1.0
110.61017	0.7
115.05482	1.1
123.23029	0.7
125.51544	0.8
129.07130	1.3
130.04274	1.4
131.05069	1.2
133.06670	1.1
135.72481	0.7
137.09695	1.0
141.07083	0.9
143.05049	6.8
143.08661	2.5
145.06577	1.2
156.05826	7.8
157.06584	2.1
159.04483	1.1
159.08133	1.7
167.08591	1.4
169.06589	7.0
169.10263	1.1
169.12349	0.9
170.07336	9.6
171.08157	31.7
172.05290	1.0
172.08444	1.7
173.06062	0.9
175.73450	0.9
180.05789	1.3
183.04498	1.8
183.08215	1.8
184.05280	1.2
185.06067	3.2
185.09711	9.8
187.07610	0.9
195.08163	7.9
197.06068	11.1
198.06871	34.5
199.07222	2.2
211.07661	2.5
212.08443	1.6
213.09212	100.0
214.09575	6.3
230.05833	1.4
234.27029	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35194	0.4
57.03449	13.0
58.03788	0.6
59.01386	0.7
60.00518	0.4
61.64964	0.5
62.25045	0.5
67.01885	5.1
69.03455	0.9
70.73016	0.7
70.73347	1.0
79.17883	0.4
91.05521	1.2
93.03481	0.7
107.05057	0.6
115.05535	1.3
117.07098	0.8
119.05019	0.8
129.07114	1.8
130.04279	2.3
131.04982	1.3
133.06572	1.3
141.07124	1.7
143.05032	10.0
143.08644	4.4
144.05757	0.8
145.06577	0.9
151.11290	1.8
153.07123	0.9
153.18675	0.5
155.05075	0.6
156.05801	11.8
157.06595	4.9
158.03654	0.6
159.04553	1.1
159.08159	2.6
167.08577	2.5
169.06593	10.0
169.10214	1.1
169.12338	11.3
170.07378	12.7
171.08153	45.7
172.05348	1.0
172.08560	2.3
173.06046	0.8
180.05769	3.3
183.04524	1.7
183.08157	2.6
184.05249	1.0
185.06056	4.8
185.09718	7.4
186.10011	0.8
187.07652	0.7
194.07370	1.2
195.08145	14.0
196.05428	0.6
196.08492	0.9
197.06055	9.0
198.06844	20.1
199.07275	0.9
202.06413	1.1
211.07657	5.1
212.08308	2.6
213.09207	100.0
214.09549	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	211.134
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
54.34906	0.3
67.89392	0.3
69.03456	0.9
71.00114	0.9
74.93064	0.3
91.99757	0.3
155.10789	0.3
157.27014	0.3
165.12875	0.6
167.10733	0.8
167.14392	1.3
183.13902	15.6
184.14214	0.7
193.12358	3.8
199.84094	0.3
211.13391	100.0
212.13747	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	212.9807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02136	2.3
69.85310	2.3
70.11068	2.2
70.35499	10.2
71.01014	3.4
71.01382	47.5
74.44557	2.4
87.00886	2.8
103.03014	2.2
115.00368	100.0
136.98576	2.6
152.95970	3.3
174.63043	2.4
176.33911	2.2
189.49710	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	212.9807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02136	2.3
69.85310	2.3
70.11068	2.2
70.35499	10.2
71.01014	3.4
71.01382	47.5
74.44557	2.4
87.00886	2.8
103.03014	2.2
115.00368	100.0
136.98576	2.6
152.95970	3.3
174.63043	2.4
176.33911	2.2
189.49710	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	213.092
Annotation	3,3'-Dihydroxybibenzyl
Peak:m/z	Relative Intensity
57.03454	6.1
61.80523	0.7
67.01880	7.1
68.99809	2.7
70.11313	2.9
84.99120	0.7
93.03455	0.6
98.19955	0.8
117.07110	0.8
121.02959	0.9
129.07091	1.0
130.04243	1.1
131.05006	0.9
141.07104	1.3
143.05019	7.6
143.08681	2.7
144.05843	0.9
145.06580	1.7
152.06331	2.3
155.05013	1.9
155.08807	0.6
156.05768	6.3
157.06610	3.6
159.04442	1.0
159.08157	1.0
161.06081	0.8
165.49004	0.8
167.04915	1.3
167.08681	2.3
168.05801	1.7
169.06570	7.2
169.10161	0.9
170.07379	10.1
171.04565	1.6
171.08144	27.8
172.05252	1.5
172.08495	1.3
180.05782	3.3
183.04498	2.1
183.08179	4.8
183.13881	8.4
184.14268	0.7
185.06052	6.2
185.09717	7.7
187.07681	1.5
195.08134	13.7
195.13908	9.2
197.06082	8.0
198.06847	20.0
211.07600	4.1
212.08368	2.8
213.09200	100.0
213.14929	32.1
214.06306	1.0
214.09544	6.1
214.15254	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	211.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
59.01367	0.2
61.03708	0.2
61.31925	0.3
67.01885	0.4
69.03470	0.5
79.01889	0.4
79.95751	0.3
81.03455	0.3
95.01389	3.3
96.01801	0.2
97.02345	0.5
97.02949	4.9
107.05022	1.5
109.02988	0.3
113.63080	0.3
115.50128	0.2
122.03748	0.4
123.04539	2.6
125.02445	1.1
137.02473	0.6
137.23108	0.2
149.06047	0.4
150.03232	0.5
151.04015	7.4
153.05580	11.6
154.05882	0.5
166.02417	0.3
167.07159	0.4
181.05066	100.0
182.05403	4.4
195.06642	0.6
196.07402	67.6
197.07756	2.6
211.09750	14.6
212.10022	0.8
224.53323	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
67.01889	0.5
69.03455	0.6
71.01382	0.3
71.52699	0.2
72.99340	0.3
79.01888	0.2
79.95731	0.7
81.03455	0.3
83.01388	0.3
95.01389	3.6
95.05027	0.3
96.96004	0.2
97.02345	0.4
97.02949	4.6
97.06612	0.4
104.96696	0.2
107.05025	1.1
109.02966	0.3
111.00929	0.3
111.04466	0.2
113.06058	0.3
121.02944	0.3
123.04509	1.9
123.08121	0.3
125.02438	0.8
135.04503	0.3
137.02420	0.6
137.09636	0.3
149.06117	0.4
150.03191	0.4
151.04004	8.5
152.04379	0.3
153.05573	12.2
154.05920	0.4
167.07175	0.4
167.10719	0.3
170.36839	0.2
181.05060	100.0
182.05363	3.8
195.06595	0.4
196.07396	67.1
197.07724	2.6
211.09750	14.2
211.13148	0.6
212.10136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	Putaminoxin
Peak:m/z	Relative Intensity
54.89509	0.5
62.49135	0.6
69.03453	1.1
71.52401	0.7
80.96529	5.3
82.27232	0.5
83.05044	0.6
95.01385	0.7
105.96050	2.0
153.04465	0.6
155.10881	0.6
167.10777	1.3
167.14432	1.4
171.49791	0.5
174.44232	0.5
180.99658	2.7
181.01302	1.0
181.03961	1.9
181.05283	0.7
183.13908	13.9
192.97806	1.0
193.12392	4.8
196.02182	1.1
196.06358	2.0
198.62994	0.5
210.98894	0.6
211.13396	100.0
212.00224	11.5
212.13690	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	211.0611
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
50.56301	1.0
59.01379	9.5
59.49276	0.9
61.98830	5.8
62.47506	0.9
65.00341	1.7
69.36382	1.1
70.85179	2.9
71.93708	0.9
72.99309	2.6
78.95892	5.5
82.52913	1.0
83.01386	1.4
83.05037	1.1
93.03479	1.9
93.07077	1.5
95.01384	3.7
95.05030	2.0
95.72685	1.1
96.96030	5.5
97.02982	1.4
98.02547	1.0
98.95583	2.0
103.92010	1.3
104.05065	1.1
105.05396	3.2
107.05027	2.2
108.02150	8.4
109.02942	15.9
109.06623	1.4
111.08167	1.5
113.99591	4.6
120.02177	11.2
121.02951	2.8
121.06645	2.0
123.00871	3.4
123.04530	7.1
123.08164	2.5
124.01612	1.3
127.34606	1.3
129.05573	5.6
130.19421	1.3
131.07063	1.7
135.04489	2.3
136.01657	3.1
137.02478	3.3
137.06099	2.3
138.03232	2.4
139.07628	1.9
148.01668	88.8
149.02068	2.9
149.04410	5.0
149.06076	3.1
151.04027	1.8
152.42387	1.1
153.05576	84.0
154.05876	2.4
163.04007	90.3
164.04355	3.7
165.01936	4.1
166.02707	9.4
166.91113	1.7
167.05417	9.0
167.06926	2.0
167.10777	1.2
179.03516	3.5
181.05064	100.0
182.05414	4.7
192.97812	1.2
193.01442	2.4
193.05145	1.1
196.03770	8.7
196.05241	1.3
196.07361	6.3
210.94829	1.3
211.00223	1.8
211.02501	1.3
211.04414	2.5
211.06126	34.9
211.09746	3.1
211.13402	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	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
62.02606	0.4
63.31543	0.4
69.55276	2.4
69.55676	0.9
80.02689	2.8
81.03465	2.7
83.04578	0.8
83.05028	9.9
93.03474	0.6
95.05013	1.5
121.02983	2.4
125.06057	0.8
135.08122	0.7
151.03975	1.4
163.11299	9.1
163.12544	0.4
165.12836	3.9
169.61635	0.4
179.03484	4.2
181.12354	1.4
191.10768	1.7
194.05884	4.1
194.07494	0.6
209.11824	100.0
210.12126	5.1
217.86475	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.9491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04163	0.2
54.60287	0.3
59.01387	0.9
61.98832	100.0
62.98533	0.3
68.64346	0.2
71.29610	0.4
77.66142	0.3
78.95895	0.3
84.60071	0.2
91.79581	0.2
91.92076	0.3
92.03534	0.3
94.03008	0.7
102.74522	0.2
124.04028	1.7
151.13573	0.2
151.54045	0.3
156.93907	0.6
164.96411	0.6
166.91051	1.2
185.04381	0.3
203.34224	0.3
209.94896	25.5
210.94969	1.5
211.13361	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01102	0.3
56.93239	0.3
58.02964	0.5
59.01378	6.1
61.98828	1.8
65.03963	1.0
67.01890	0.4
68.99805	0.3
70.06403	1.2
78.95904	1.8
79.95746	4.4
80.96528	0.5
81.03450	0.4
85.02958	0.4
85.06591	8.0
87.08153	0.3
95.01376	0.5
96.96012	100.0
97.02937	0.5
105.07070	0.5
106.06547	0.3
111.04495	0.3
121.02936	0.5
123.04527	1.2
123.08174	0.6
124.01672	0.4
125.02426	0.4
129.05548	0.4
131.07143	29.8
132.07494	0.7
137.02402	0.3
139.07632	0.4
148.01691	0.5
149.06107	1.7
149.09700	0.3
151.03969	1.0
152.01138	0.6
153.05557	1.1
166.91037	0.7
167.03490	0.3
174.07603	0.3
181.01541	0.3
181.05106	2.8
193.05109	1.4
196.03725	0.8
196.07419	1.2
211.02811	42.5
211.06122	1.9
211.09767	0.9
211.13351	1.8
211.92111	0.3
212.03148	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
51.88116	0.4
59.01376	0.7
61.98838	3.7
71.01097	1.2
76.37000	0.4
83.05025	0.6
91.01884	0.6
92.99846	0.5
103.32936	0.5
112.16631	0.4
120.02151	1.1
121.02958	21.2
122.03306	0.7
124.04032	0.9
151.52301	0.4
165.12849	0.7
179.03503	0.6
181.12260	0.5
186.61073	0.5
191.10896	0.5
209.04575	3.1
209.11823	100.0
209.15378	4.4
209.94885	0.8
210.12167	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	209.1182
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01880	1.8
57.03445	1.2
58.64827	0.7
59.01369	1.7
61.98832	14.0
65.00317	1.9
69.03454	1.3
71.01382	0.7
71.05032	0.7
71.52192	1.0
74.80226	0.6
81.03467	3.9
83.01387	17.3
83.05048	3.8
91.01906	2.6
92.99838	5.1
93.03454	2.7
94.03018	1.4
95.01402	1.2
95.05033	2.1
97.02992	0.9
97.06603	2.5
108.02264	0.9
109.02988	1.3
111.08138	0.7
120.02164	2.4
121.02959	100.0
122.03300	3.6
123.04546	0.9
123.08180	2.2
124.04046	2.7
125.06107	1.0
125.09723	13.1
135.08153	1.8
136.01672	1.6
136.98834	3.5
137.02397	1.0
147.11786	0.8
149.99684	0.7
151.07593	0.9
151.11290	1.0
161.09850	0.7
163.11292	8.2
164.98236	3.8
165.01875	1.3
165.09167	1.3
165.12848	4.2
179.03522	1.6
181.05113	1.2
181.12381	2.2
190.99925	1.3
191.10773	5.5
194.02165	1.4
194.05832	1.6
209.00980	2.5
209.04549	12.6
209.11827	76.2
209.15430	4.6
209.94939	3.7
210.12157	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	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
57.03445	1.2
58.64827	0.7
59.01369	1.7
61.98832	14.0
65.00317	1.9
69.03454	1.3
71.01382	0.7
71.05032	0.7
71.52192	1.0
74.80226	0.6
81.03467	3.9
83.01387	17.3
83.05048	3.8
91.01906	2.6
92.99838	5.1
93.03454	2.7
94.03018	1.4
95.01402	1.2
95.05033	2.1
97.02992	0.9
97.06603	2.5
108.02264	0.9
109.02988	1.3
111.08138	0.7
120.02164	2.4
121.02959	100.0
122.03300	3.6
123.04546	0.9
123.08180	2.2
124.04046	2.7
125.06107	1.0
125.09723	13.1
135.08153	1.8
136.01672	1.6
136.98834	3.5
137.02397	1.0
147.11786	0.8
149.99684	0.7
151.07593	0.9
151.11290	1.0
161.09850	0.7
163.11292	8.2
164.98236	3.8
165.01875	1.3
165.09167	1.3
165.12848	4.2
179.03522	1.6
181.05113	1.2
181.12381	2.2
190.99925	1.3
191.10773	5.5
194.02165	1.4
194.05832	1.6
209.00980	2.5
209.04549	12.6
209.11827	76.2
209.15430	4.6
209.94939	3.7
210.12157	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	209.1182
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.53197	1.3
57.03434	5.1
59.01384	12.1
61.41899	1.7
65.68661	1.3
69.03455	29.0
69.67087	2.6
69.67482	4.6
71.05012	4.8
78.39819	1.3
83.05016	4.9
93.03439	2.3
93.46507	1.5
95.05031	2.5
97.06580	1.6
98.19991	2.9
108.05817	2.5
109.06543	2.6
111.08137	4.9
121.02958	10.3
121.10194	2.2
135.08189	2.5
139.07642	1.5
147.11839	1.8
153.09219	6.6
163.11232	3.7
165.09145	3.5
165.12846	21.3
173.57539	1.5
181.12334	22.7
191.10771	31.6
194.00354	3.0
209.11813	100.0
210.12158	4.7
211.59273	1.5
224.76839	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	209.1183
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
54.72014	0.7
57.03445	4.0
59.01385	3.4
61.98827	16.2
62.22340	0.7
62.41229	0.7
62.54357	0.6
65.00324	1.5
65.03990	0.7
69.03446	6.0
71.01365	1.1
71.05017	1.0
71.52769	1.1
72.63002	0.6
80.02708	1.0
81.03454	1.9
83.05027	4.7
85.02972	0.7
91.01926	2.0
92.99832	2.8
93.03470	2.9
94.02981	2.1
95.01385	1.2
95.05034	1.5
96.95995	1.0
97.06585	6.0
98.00110	3.0
108.02224	0.7
109.02943	0.8
109.06588	1.4
110.67920	0.7
111.08171	5.9
117.28717	0.7
120.02174	2.5
121.02956	100.0
122.03287	2.6
122.51118	0.7
124.04046	2.6
135.04491	1.5
135.08133	1.4
136.01648	1.8
136.98822	2.1
137.02509	0.7
151.07768	0.7
153.09229	2.5
161.02379	1.1
163.11256	2.2
164.98262	2.3
165.01935	1.2
165.05605	0.8
165.09227	1.8
165.12851	22.3
166.13222	1.0
179.03461	2.1
181.05087	0.9
181.12338	5.7
189.85561	0.6
191.10760	7.2
194.02180	0.7
194.05861	1.7
209.00940	2.0
209.04546	11.0
209.06384	1.4
209.08241	2.9
209.11818	61.6
209.15187	2.5
209.94891	4.9
210.12202	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	209.0666
Annotation	Sedoheptulose
Peak:m/z	Relative Intensity
51.04321	1.2
55.01869	4.3
57.03447	34.8
58.00581	2.8
59.01380	35.3
68.99818	1.8
69.03438	1.5
70.49296	3.2
71.01380	18.5
72.99308	2.5
73.02966	5.3
75.00875	3.1
83.01381	9.0
84.02158	8.7
85.02950	96.2
86.00093	1.7
86.03291	1.7
87.00873	33.5
87.04497	1.7
89.02442	11.2
89.50066	1.2
97.02946	3.4
99.00871	5.8
99.89078	1.2
101.02454	7.2
110.89915	2.5
110.92586	2.9
111.00893	8.6
113.02424	1.5
115.00366	1.4
116.31305	1.0
119.03465	1.4
123.92329	1.2
129.01945	56.7
130.02269	1.5
133.01425	2.3
135.02985	9.0
141.01964	5.3
142.66815	1.1
146.97098	2.0
149.04570	2.4
159.02983	13.7
160.10371	1.1
164.93565	2.1
172.94972	1.3
191.05554	1.4
196.52492	1.2
209.06654	100.0
210.06984	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	209.0818
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
50.01318	0.3
59.83335	0.3
70.30349	1.1
72.31067	0.4
81.03465	0.9
83.05041	0.6
87.10651	0.3
107.05031	0.5
108.02169	0.6
109.02923	0.4
109.99541	0.4
121.02962	7.7
121.06571	0.7
123.04522	4.4
135.44640	0.3
151.04001	29.6
152.04395	1.1
161.02386	0.4
162.03232	0.4
163.11310	0.5
165.05534	1.0
177.05550	0.3
179.03490	98.3
180.03856	3.4
193.05046	1.4
194.05826	100.0
195.06148	4.1
209.08182	27.1
209.11632	4.8
209.15425	1.1
210.08528	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1754
Annotation	(-)-Noranthoplone
Peak:m/z	Relative Intensity
57.03450	100.0
58.03797	1.3
59.01379	5.0
61.98837	4.8
61.99110	0.8
65.00316	0.8
67.24550	0.7
69.03454	2.4
71.52792	1.1
79.95732	1.3
81.07112	2.8
83.05028	1.1
85.02962	0.7
91.01913	2.5
91.25578	0.8
92.15993	0.8
92.99802	0.8
94.02998	2.9
109.06574	1.8
121.02975	1.4
124.04065	1.3
125.09743	1.1
129.01927	0.9
135.00903	1.5
135.04510	2.0
135.08173	1.6
149.02448	2.6
151.07634	1.9
163.00349	1.8
163.07645	1.3
163.11235	1.0
177.01912	8.0
178.04982	1.1
178.99832	1.6
184.07376	2.2
189.09125	0.9
191.10933	1.3
192.00639	1.8
192.04283	10.2
192.11543	1.3
206.99327	1.7
207.01173	2.0
207.02969	3.5
207.06660	4.9
207.10257	3.2
207.13902	95.6
207.17484	25.6
208.06213	1.0
208.09741	2.0
208.14194	6.1
208.17921	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0665
Annotation	Sedoheptulose
Peak:m/z	Relative Intensity
50.82085	1.5
55.01870	5.3
57.03447	32.0
58.00614	1.4
59.01378	29.1
64.94196	1.2
66.93179	1.2
68.99825	2.6
69.03451	2.6
70.78105	3.0
70.78445	1.5
71.01381	21.2
72.99307	3.4
73.02931	4.4
75.00873	3.8
83.01389	9.1
84.02161	11.5
85.02950	100.0
86.00092	1.4
87.00337	1.9
87.00877	38.1
89.02430	8.6
95.97607	1.9
97.02940	3.1
99.00867	5.7
100.98777	1.3
101.02438	5.9
110.89898	2.3
111.00890	10.2
113.02503	2.6
115.03997	2.5
119.03435	1.7
121.02956	2.5
129.01939	60.4
130.08791	2.7
131.03519	1.5
133.01413	1.8
135.02966	1.3
137.12122	1.3
141.01932	3.9
148.03995	1.6
159.02951	10.7
165.04066	1.4
166.04984	1.6
179.03531	1.6
191.01958	1.5
191.03503	3.2
193.79103	1.4
204.18799	1.3
209.04729	4.6
209.06641	100.0
210.06960	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	205.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20815	3.4
51.26267	2.9
55.01868	9.3
57.03450	21.1
58.02969	9.6
59.01379	40.5
60.99306	13.5
61.98830	30.7
67.01878	9.3
68.99796	6.3
71.01382	80.9
71.40192	4.4
72.99306	100.0
73.02935	23.5
75.00865	71.0
83.01374	38.8
85.02945	29.2
87.00874	25.0
89.02428	10.0
99.00879	33.9
99.04534	4.1
100.98813	10.6
101.02415	16.3
111.00874	44.6
112.98785	4.1
115.00365	38.1
117.01933	5.1
125.02438	14.6
129.01941	46.0
130.08702	4.6
133.01399	18.3
142.99818	15.9
144.95470	5.4
145.01424	12.3
147.04506	7.7
150.98315	13.1
157.01421	6.7
164.07193	16.4
173.01105	3.7
186.98215	3.6
204.95813	3.6
204.99461	4.9
205.03168	4.3
205.10754	14.1
205.16002	17.1
206.08113	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	205.1232
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.10247	0.8
56.70847	0.8
57.03449	22.9
59.01386	4.0
69.03444	2.1
71.01349	0.8
71.06499	0.8
71.53622	1.2
72.99283	1.6
74.12556	0.7
78.72379	0.7
81.03436	1.4
83.05004	1.6
85.02969	0.9
85.06593	4.6
91.05527	1.0
93.03462	2.7
93.84197	0.9
95.05008	1.3
97.02917	1.2
105.12285	0.7
106.04237	1.0
107.05023	42.9
108.05359	1.7
109.02964	1.1
109.06588	2.1
111.00858	1.6
114.42455	0.8
115.00320	1.0
115.86243	0.9
119.05008	3.9
120.05794	1.7
121.06606	4.7
122.03744	1.1
123.04503	2.0
123.08128	3.7
131.05025	1.6
133.06535	0.9
135.00874	1.4
135.08159	5.7
137.06056	3.5
143.06880	1.1
145.10179	1.3
147.04489	1.4
147.08133	6.3
148.08919	1.0
149.04916	1.5
149.06073	24.4
149.09607	1.3
159.06410	2.6
161.06024	1.3
161.09666	2.6
162.06818	2.4
163.00334	1.6
163.11278	46.4
164.07138	1.3
164.11557	2.3
168.32864	0.8
172.05307	0.8
175.07617	4.7
177.09241	1.1
177.12845	9.0
185.09743	1.0
187.11290	12.7
189.09152	2.5
190.09975	9.8
190.99844	2.9
205.04997	2.4
205.07048	1.8
205.12296	100.0
205.15976	6.2
206.12604	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	205.1596
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
71.52270	0.1
72.16613	0.1
72.99287	0.1
74.07645	0.1
84.17071	0.1
107.92617	0.1
149.09818	0.1
167.88371	0.1
181.12598	0.1
189.12831	1.6
205.15959	100.0
206.16309	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	206.0821
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
52.72808	0.7
58.02973	63.9
59.01396	1.1
69.29325	5.9
69.29731	1.5
70.02981	13.2
72.00911	5.1
88.92059	0.8
91.05533	15.0
98.19896	1.4
103.05531	2.9
103.67478	0.8
135.04475	1.0
147.04514	39.1
148.04858	2.1
162.09230	1.3
164.07155	100.0
165.07451	3.6
169.23788	0.8
171.43831	0.8
175.19398	0.8
181.98703	0.8
202.78499	0.7
206.08206	37.9
207.08643	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55944	0.6
58.02975	32.1
69.49744	1.8
69.50146	2.5
70.02977	14.2
72.00906	5.6
83.45089	0.7
91.05531	13.8
91.06058	0.9
92.05863	0.6
103.05541	2.1
109.39541	0.6
135.04576	1.0
147.04517	36.7
148.04849	1.3
160.07741	0.6
162.09256	1.2
164.07161	100.0
165.07507	4.1
191.12924	0.8
206.08203	38.0
207.08560	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.9743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26856	0.1
60.33762	0.1
61.58415	0.1
61.98830	100.0
62.98541	0.3
62.99247	0.1
63.99272	0.1
70.67905	0.3
70.68272	0.3
82.49647	0.1
90.02071	0.1
144.55788	0.1
162.98489	1.3
164.96397	0.3
177.01927	0.2
191.51154	0.1
192.04294	0.2
206.97443	6.4
207.97375	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83201	1.4
57.03423	1.5
59.01363	5.1
61.98829	10.6
65.00321	2.4
69.03438	1.5
69.21461	8.0
69.21891	4.5
71.01352	1.6
74.02258	1.4
89.69280	1.2
91.01894	4.0
94.02977	2.0
95.04996	2.8
97.06606	2.4
106.04234	2.6
107.01357	1.9
107.05022	1.3
108.02135	1.8
109.06577	3.0
119.01374	2.1
119.05032	1.7
119.74635	1.2
121.02917	1.5
121.06586	2.6
123.04477	1.6
126.51984	1.2
133.06578	3.7
134.03720	1.5
135.00867	2.7
135.04655	1.2
135.08150	14.3
135.50806	1.3
137.09721	100.0
138.10106	2.7
149.02394	3.2
149.09714	29.5
150.10077	2.0
163.00339	4.8
163.03996	1.6
163.07623	5.0
163.11278	4.9
169.63727	1.2
176.78824	1.2
177.01875	12.6
178.99863	2.6
179.03494	1.6
189.12852	4.5
191.10677	7.1
192.00620	3.2
192.04239	9.7
205.15945	5.4
206.99301	4.0
207.01204	4.4
207.03004	6.7
207.06625	8.1
207.10313	5.4
207.13895	47.6
207.17531	25.8
208.06255	2.1
208.14265	3.3
208.17932	1.8
229.50403	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	203.9997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74883	0.1
59.01379	6.0
60.01712	2.4
61.01807	0.8
61.98830	100.0
62.98521	0.1
71.01375	0.1
71.26763	0.1
72.86411	0.1
106.31107	0.1
160.03784	0.3
172.95343	0.1
203.99944	0.7
204.02673	0.9
205.15952	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74580	4.5
55.01875	15.1
55.59468	3.9
57.03457	8.6
58.02983	11.2
59.01381	92.4
60.02281	3.9
60.99303	5.1
64.73842	4.4
67.01889	9.2
68.99819	13.1
69.03423	4.5
71.01380	92.4
72.99306	84.7
73.02946	21.1
75.00871	60.7
83.01387	26.3
85.02958	25.4
87.00883	67.6
89.02438	7.4
90.70139	5.0
96.99312	10.3
99.00881	49.5
99.04513	9.5
101.02447	22.1
103.00386	4.7
111.00891	72.2
112.01215	4.2
112.98821	12.2
115.00369	100.0
117.01934	16.5
117.03807	5.7
118.03309	11.0
124.98786	14.9
125.02421	32.3
127.00385	9.5
129.01962	35.7
130.99818	4.6
131.04568	6.1
141.07480	5.1
142.99863	23.5
143.03481	7.0
143.07112	4.5
144.95468	9.3
145.01402	16.3
150.98347	6.9
154.99887	18.5
159.08536	4.8
161.06114	5.2
173.00909	12.1
205.03444	8.3
205.05115	7.8
205.06827	4.6
205.09059	8.6
205.10840	16.5
205.15956	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	205.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74580	4.5
55.01875	15.1
55.59468	3.9
57.03457	8.6
58.02983	11.2
59.01381	92.4
60.02281	3.9
60.99303	5.1
64.73842	4.4
67.01889	9.2
68.99819	13.1
69.03423	4.5
71.01380	92.4
72.99306	84.7
73.02946	21.1
75.00871	60.7
83.01387	26.3
85.02958	25.4
87.00883	67.6
89.02438	7.4
90.70139	5.0
96.99312	10.3
99.00881	49.5
99.04513	9.5
101.02447	22.1
103.00386	4.7
111.00891	72.2
112.01215	4.2
112.98821	12.2
115.00369	100.0
117.01934	16.5
117.03807	5.7
118.03309	11.0
124.98786	14.9
125.02421	32.3
127.00385	9.5
129.01962	35.7
130.99818	4.6
131.04568	6.1
141.07480	5.1
142.99863	23.5
143.03481	7.0
143.07112	4.5
144.95468	9.3
145.01402	16.3
150.98347	6.9
154.99887	18.5
159.08536	4.8
161.06114	5.2
173.00909	12.1
205.03444	8.3
205.05115	7.8
205.06827	4.6
205.09059	8.6
205.10840	16.5
205.15956	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	203.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
59.01376	1.3
64.85705	0.3
66.46288	0.3
69.03446	0.6
71.01365	0.5
71.05010	0.7
72.99314	1.0
74.94802	0.3
75.60565	0.3
79.95739	1.7
80.96548	0.3
83.05025	0.5
89.85236	0.3
97.02935	0.8
97.06618	0.5
99.08155	0.7
103.92041	0.7
105.07198	0.3
113.09713	0.8
116.05066	0.8
123.08112	0.3
125.09701	1.0
127.11288	15.3
128.05128	0.4
130.04224	0.5
130.06589	0.4
134.96909	0.3
137.09767	1.1
139.11246	1.0
141.09145	0.5
142.06711	0.4
144.04465	0.3
155.10780	9.6
156.11179	0.5
157.12332	53.5
158.06102	1.5
158.12683	2.2
159.04468	2.2
161.47894	0.3
175.07625	0.4
185.11813	1.0
186.05548	0.5
201.11342	0.8
202.94102	0.7
203.03546	0.8
203.12871	100.0
204.06599	1.8
204.13202	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	203.1439
Annotation	5,6,7,8-Tetrahydro-5-isopropyl-3-methyl-2-naphthol
Peak:m/z	Relative Intensity
57.03446	1.4
59.01384	3.2
61.98845	2.1
65.00327	0.7
67.01894	2.8
68.04365	0.4
69.03448	1.3
69.88657	2.4
71.01402	0.6
77.13847	0.4
79.05531	1.4
80.02659	0.5
80.10382	0.5
81.03422	0.7
83.05028	1.7
85.06559	0.5
93.03458	2.4
94.99316	0.9
95.05029	16.6
97.02955	1.0
97.06590	0.8
99.92612	0.4
103.92010	2.0
104.97738	5.8
105.07085	0.7
106.04228	0.7
107.05007	1.9
107.08632	0.9
108.02148	0.5
109.06586	1.0
111.08089	0.6
117.92883	0.7
119.03498	0.5
119.05001	1.3
120.05805	1.7
121.02997	0.5
121.06607	6.0
123.08173	1.7
130.94395	0.7
133.06607	6.9
133.10204	0.6
134.07368	1.0
135.08162	13.9
137.84209	0.4
145.06517	1.1
146.07381	0.8
147.04579	0.5
147.08156	3.2
148.05296	3.1
148.08934	0.9
148.95436	0.5
149.09709	4.3
150.10039	0.5
152.04832	0.7
155.90956	0.5
159.04471	0.9
159.08147	2.9
160.89249	1.1
161.09663	2.4
161.13326	0.9
163.11313	0.7
173.09662	1.2
174.10442	0.6
175.03986	0.6
175.11261	1.9
180.04259	5.0
183.11786	0.5
185.09660	1.2
185.13269	2.2
187.11241	2.5
188.04572	0.5
188.12001	1.0
201.12845	5.4
202.13211	0.7
202.94174	4.1
203.03528	1.2
203.07109	1.7
203.10886	10.0
203.14391	100.0
204.11258	0.6
204.14755	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	203.1287
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
54.31233	0.5
55.38139	0.3
57.03448	2.0
59.01372	2.3
62.65425	0.3
69.03457	0.9
71.01375	0.7
71.05013	3.7
71.52532	0.5
72.99306	0.9
76.31956	0.3
79.95746	3.0
80.96544	0.4
82.58474	0.3
85.06595	0.6
87.11667	0.4
97.02960	1.3
97.06586	1.1
99.08167	1.5
101.85669	0.3
103.05542	0.8
103.92035	1.3
104.97733	0.6
107.63882	0.3
108.71849	0.3
113.09683	0.7
116.05035	0.9
125.09739	0.7
127.11292	14.2
128.05133	0.7
130.04245	2.7
130.06633	0.9
131.05043	0.7
137.09726	1.6
139.11284	1.5
142.06590	0.7
148.95334	0.4
149.06073	0.7
155.10776	8.3
157.12335	54.4
158.06126	1.4
158.12686	2.1
159.04520	9.7
159.08163	0.6
175.03969	0.7
175.07628	0.8
185.11847	0.8
186.05544	0.6
201.11316	0.9
203.01929	1.0
203.03534	1.8
203.12881	100.0
204.06552	2.0
204.13190	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	203.1287
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
53.03017	0.3
59.01380	0.5
65.40465	0.3
69.43806	2.6
71.16634	0.3
81.18716	0.3
85.06577	0.5
91.00487	0.3
99.08183	0.7
125.09753	0.7
127.11291	15.3
128.11609	0.6
137.09743	0.7
139.11292	1.2
155.10779	8.7
157.12335	60.9
158.12654	2.1
185.11819	1.2
190.21463	0.4
201.11325	1.1
203.12868	100.0
204.13216	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	203.1077
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
54.76366	1.1
55.01883	1.3
55.44166	1.1
57.03447	45.5
59.01361	1.2
65.03951	3.4
67.01876	2.4
69.03445	6.9
69.73260	5.4
69.73661	1.7
76.51462	1.1
78.71680	1.2
79.05525	10.3
81.03432	1.6
83.05025	3.2
91.05542	5.9
93.03445	3.6
93.07143	1.4
95.05029	4.2
97.02933	8.6
98.82536	1.1
103.35017	1.0
105.07108	27.4
106.16293	1.0
107.05032	3.4
109.02940	3.0
109.06559	2.3
110.71472	1.1
111.04472	1.4
119.05007	2.8
119.08638	2.1
121.02936	1.3
121.06586	3.3
122.03737	3.4
123.04517	1.4
123.08154	1.3
131.05008	1.8
133.06606	18.9
135.04562	1.7
143.08675	4.3
144.05777	1.4
145.06590	9.5
146.07404	1.8
147.04434	1.4
147.08150	8.1
149.06071	3.2
149.09669	1.6
151.55049	1.3
157.06529	3.8
157.10275	1.7
159.04504	1.7
159.08167	8.0
160.05278	2.1
161.06081	3.1
161.09711	40.8
162.10028	2.1
170.07350	3.5
173.06070	3.0
174.06848	2.3
175.07643	6.4
175.11250	3.4
183.08128	3.4
185.09720	28.0
186.10092	1.4
187.07611	3.9
188.08383	8.4
201.09181	3.0
203.07310	2.5
203.10773	100.0
204.11092	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	203.1077
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
57.03447	30.8
59.01365	2.7
61.60979	0.6
65.03946	1.3
67.01870	1.3
69.03463	6.2
71.01379	1.0
71.04990	0.7
79.05532	5.1
81.03480	1.8
83.05010	2.5
83.46349	0.6
85.98980	0.7
88.99445	0.7
91.05534	2.9
93.03435	2.5
93.07081	1.9
95.01414	0.9
95.05031	2.0
97.02935	8.5
104.97694	1.1
105.07098	14.4
107.05030	3.1
107.08682	0.7
108.66569	0.7
109.02953	2.2
109.06515	0.7
111.04497	0.8
117.07173	0.8
119.05032	3.6
119.08672	2.2
121.02971	0.8
121.06563	2.6
122.03715	2.1
123.04533	1.2
131.05002	1.6
133.06595	9.5
133.10228	1.1
135.04523	1.0
135.08191	0.8
141.01927	0.7
143.08672	2.4
144.05791	0.8
145.06598	6.1
146.07338	1.7
147.04546	1.1
147.08159	6.4
148.05286	8.1
149.06036	1.5
157.06573	3.2
157.10252	1.1
159.04482	1.9
159.08163	9.3
160.05278	1.6
160.08836	1.3
161.06039	1.4
161.09709	31.3
162.10020	1.1
170.07378	3.2
173.06085	2.0
173.09642	1.8
174.06845	1.2
175.07683	4.3
175.11298	3.7
180.04286	10.1
183.08109	2.2
184.08949	0.9
185.09709	22.3
186.10156	0.7
187.07634	2.8
188.04720	2.3
188.08411	7.7
201.09203	2.0
203.07318	8.2
203.10768	100.0
204.11086	4.5
206.04953	0.8
221.95529	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.0
57.03448	59.8
59.01362	1.3
65.03965	1.5
69.03450	2.3
69.52342	5.3
79.05519	5.3
81.03447	1.9
83.05032	5.1
85.02923	1.1
88.36212	0.9
91.05523	7.0
93.03441	3.2
93.07079	1.1
95.01350	1.5
95.05025	1.0
96.02199	1.5
97.02946	5.1
103.05535	0.9
105.07092	34.6
106.07439	1.1
107.04388	0.8
107.04995	3.7
109.02955	1.3
109.06600	5.8
111.04519	1.0
115.05509	1.9
117.07079	1.9
119.05017	4.5
119.08725	0.8
119.24512	0.9
121.06583	2.7
129.07072	0.8
130.04214	1.1
131.05006	2.1
131.41699	0.8
132.05840	2.1
133.06596	21.0
133.10170	0.8
136.05293	1.8
141.07108	1.5
142.07956	0.9
143.08603	3.8
144.05779	0.8
145.06587	14.4
146.07368	1.8
147.04543	1.0
147.08139	2.5
149.06062	1.0
157.06625	2.8
157.10252	2.6
159.04573	1.4
159.08102	6.5
160.08894	1.0
161.09712	42.6
162.10002	2.2
163.07669	1.3
167.08594	1.5
169.06624	2.0
170.07372	21.9
171.07693	1.0
173.06071	6.2
174.06760	2.9
175.07622	2.0
175.11263	2.3
181.31398	0.7
183.08150	3.1
184.08818	0.8
185.09705	74.5
186.10042	5.0
187.07611	3.9
188.08426	6.6
201.09175	1.4
203.10765	100.0
204.11069	4.9
219.96130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.3
61.98842	0.7
69.03457	0.7
69.73089	1.3
69.73497	0.6
71.01412	0.4
72.00912	1.9
74.02476	2.9
79.95737	2.5
80.96524	1.5
93.03453	11.2
96.96011	40.3
97.02982	0.5
103.92025	1.2
104.43859	0.3
104.97733	0.7
116.05067	8.1
121.02959	53.2
122.03306	1.4
123.04525	100.0
124.04860	3.2
130.94392	0.4
142.06610	2.4
143.07132	0.4
145.47881	0.4
159.04504	0.7
159.09283	0.9
160.03952	0.5
162.05386	0.3
172.99200	0.3
202.94133	0.8
203.00198	39.2
203.08195	3.9
203.10899	0.6
204.00525	1.7
204.02963	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0827
Annotation	Tryptophan
Peak:m/z	Relative Intensity
53.78206	0.8
55.74506	0.6
56.35272	0.7
59.01379	4.6
61.98838	2.2
69.03468	1.0
69.65857	4.7
71.01379	1.2
72.00912	25.0
74.02474	32.0
76.65903	0.7
97.02967	1.8
103.92030	3.8
104.97775	2.1
116.05065	100.0
117.05426	2.6
121.02946	1.0
123.04532	2.8
130.06656	3.1
130.94305	1.4
132.08153	1.1
142.06624	29.3
143.07042	1.5
148.95415	1.1
159.04462	1.2
159.09280	18.0
160.89320	0.9
161.04825	0.8
186.05573	4.5
202.94168	2.0
203.01959	1.9
203.08246	54.6
204.08595	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	203.1077
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
51.87836	0.9
53.41957	1.0
57.03447	40.8
59.01377	3.0
65.03958	1.9
67.01889	1.4
69.03444	6.8
69.93684	3.5
79.05516	7.0
81.03440	2.1
83.05024	4.2
91.05521	4.4
92.49496	1.0
93.03438	2.7
93.07059	1.2
95.05014	4.6
97.02956	8.5
105.07095	22.7
107.05018	3.8
109.02947	2.8
109.06555	2.1
115.05608	1.1
119.05003	3.7
119.08644	2.8
121.02934	1.9
121.06569	3.3
122.03717	3.3
123.04517	1.6
130.04205	1.2
131.04996	2.7
132.05800	1.4
133.06587	18.9
135.04482	1.6
135.08142	1.8
143.05077	1.3
143.08665	2.6
145.06587	8.2
147.04478	1.3
147.08154	6.7
149.06026	2.3
157.06561	5.0
157.10298	1.2
159.04446	2.3
159.08156	7.6
160.05255	3.4
160.08658	0.9
161.06070	1.7
161.09714	38.9
162.10027	2.1
169.06580	1.5
170.07378	3.6
172.80249	1.0
173.06068	3.2
173.09695	1.2
174.06824	1.1
175.07643	7.3
175.11276	2.9
183.08218	2.8
184.08888	1.0
185.09695	24.9
186.10115	1.2
187.07733	2.4
188.08443	7.8
201.09192	1.6
202.19006	1.1
203.03525	1.5
203.07031	3.8
203.10768	100.0
204.11060	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	201.092
Annotation	Tremetone
Peak:m/z	Relative Intensity
52.27857	0.5
55.01866	0.7
57.03446	6.8
59.01377	1.1
60.70769	0.5
65.03951	1.4
66.65063	0.7
66.94824	0.6
67.01893	0.7
69.03461	5.3
69.46970	4.2
69.47323	0.5
79.05511	1.5
81.03451	2.1
91.05536	3.6
93.03463	1.8
93.62455	0.6
95.05035	0.6
97.02957	4.6
103.05549	0.7
105.07117	3.6
105.07674	0.6
107.05029	7.6
108.02182	1.0
115.05511	1.5
117.03459	4.5
117.07088	3.8
119.04218	0.7
119.05024	2.1
121.06580	0.9
123.75941	0.7
129.07095	1.0
130.04256	3.5
131.05022	6.6
131.08640	2.4
133.06555	1.8
141.07066	2.5
143.05022	16.8
144.05806	9.4
145.06549	2.4
147.04475	1.9
149.06073	8.2
155.08647	2.1
156.05785	1.8
157.06572	21.9
157.10196	2.4
158.03746	1.2
158.07373	6.8
159.04541	6.4
159.08142	56.2
160.05215	0.6
160.08470	2.7
161.06009	1.3
168.05739	0.8
171.04506	10.7
171.08165	1.5
172.05278	5.9
173.06102	3.4
173.09686	7.4
181.06520	0.8
183.08134	15.3
185.06071	7.7
186.06853	19.4
187.07256	1.0
190.06453	0.7
199.04018	1.1
199.07622	2.8
200.08252	1.1
201.05760	5.0
201.09193	100.0
202.09554	4.3
218.05908	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55598	0.5
56.43592	0.6
57.03450	3.0
59.01353	0.8
67.05522	0.7
69.03448	2.9
69.57046	2.7
69.57468	0.8
71.05002	1.8
72.99308	35.9
73.02974	0.6
75.74234	0.5
76.62832	0.5
77.57716	0.5
81.03443	0.8
82.33906	0.5
83.05035	1.2
85.06587	1.1
95.04972	0.7
97.06593	0.6
107.08671	3.9
109.10196	1.5
121.10218	2.2
125.09703	6.3
127.07649	1.4
127.11250	2.2
135.08138	1.0
137.09764	2.7
139.11267	2.9
155.10776	13.0
155.12042	0.7
157.12241	0.6
165.09193	0.8
183.10255	52.7
184.10599	2.4
201.11311	100.0
202.11617	3.8
214.25543	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1133
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03435	2.3
57.92084	0.7
59.01370	0.6
69.03452	2.0
69.44260	4.1
71.05038	0.7
72.99306	29.7
73.02953	0.6
79.19406	0.5
83.05025	1.1
85.06583	1.3
97.06604	1.1
105.07030	0.6
107.08657	2.5
109.06569	0.7
121.10249	1.0
125.09727	5.3
127.11291	2.6
135.08192	0.7
137.09703	1.5
139.11279	3.3
155.10765	10.8
157.12344	0.7
165.09247	1.0
183.10252	39.3
184.10588	2.1
199.09758	0.9
201.11314	100.0
202.11665	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	201.9576
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34262	0.6
58.48023	0.6
58.97163	0.7
59.01379	100.0
60.01714	3.9
61.98846	0.8
69.79446	0.5
70.68076	1.4
70.68422	0.9
76.98257	1.4
77.96948	0.5
78.91909	0.9
90.97123	0.6
91.16707	0.6
92.44853	0.5
94.99290	3.5
99.92584	90.4
100.92608	5.0
100.93254	0.8
102.92348	2.2
103.92028	11.1
104.92765	0.6
104.97741	46.6
115.92109	1.8
116.92869	2.2
118.91815	0.6
118.96595	1.0
121.92254	0.9
130.94376	2.8
132.98210	1.1
141.86819	75.7
141.93634	90.5
142.93640	4.2
148.95425	2.1
148.96635	0.8
158.03748	1.4
159.04570	0.8
159.87880	21.5
159.89314	2.1
160.01758	0.7
160.89249	1.2
160.97704	2.0
164.83594	7.0
166.83305	2.4
174.94647	1.6
174.99232	4.4
201.80186	2.6
201.95790	4.4
202.02704	2.2
202.94136	41.2
203.02094	0.8
203.10878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63337	0.2
52.89947	0.1
56.59649	0.2
57.13186	0.2
58.38044	0.2
59.01379	100.0
60.00354	0.2
60.01709	0.7
63.56669	0.2
70.37338	0.6
74.25656	0.2
82.02978	0.2
83.03342	0.2
88.04049	0.3
109.78841	0.2
111.02788	0.2
113.04579	0.3
114.57704	0.2
115.02502	0.3
117.00526	0.2
157.03558	6.0
158.03760	0.4
159.01491	1.5
201.02544	10.0
202.02707	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0921
Annotation	Tremetone
Peak:m/z	Relative Intensity
51.65085	0.6
57.03448	8.7
59.01368	2.7
63.22252	0.6
65.03960	1.5
67.01869	1.1
69.03465	5.9
70.10823	3.0
79.05528	2.4
80.89435	0.8
81.03463	2.4
83.01398	1.1
85.91933	0.7
91.05524	3.9
93.03429	0.7
94.18105	0.7
95.05041	2.0
97.02957	3.2
105.07098	3.2
107.05048	1.9
115.05537	1.8
116.35928	0.6
117.03450	4.2
117.07102	3.1
119.05018	2.6
121.06634	1.7
129.07071	1.3
130.04243	2.8
131.05026	5.8
131.08646	3.9
133.06580	3.3
141.07094	3.5
143.05028	14.6
144.05826	12.7
145.02963	1.1
145.06577	2.5
147.04501	1.2
149.06061	0.9
155.08633	2.2
156.05765	1.7
157.06593	21.5
157.10222	1.8
158.03743	1.2
158.07378	4.5
159.04544	10.2
159.08150	77.7
160.05164	1.0
160.08461	4.0
164.83627	1.0
167.04973	1.3
168.05833	1.1
171.04509	13.0
171.08200	1.4
172.05270	2.8
173.06079	5.6
173.09731	6.5
175.07617	2.6
181.06616	2.2
182.07332	1.2
183.04652	0.8
183.08154	26.0
184.08430	1.4
185.06053	10.7
186.06854	17.6
187.07240	1.2
192.42151	0.7
199.07697	3.4
200.08333	0.9
201.05711	5.4
201.09206	100.0
202.09535	4.6
207.90343	0.9
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
54.42940	0.5
57.03443	2.2
58.04414	0.6
59.01383	0.9
59.20830	0.5
61.98829	12.8
65.00343	0.5
67.01896	1.6
68.99818	1.6
69.11589	0.5
71.01386	0.9
71.05022	1.1
71.52254	0.9
72.99307	77.2
75.56200	0.6
83.01370	0.9
83.05048	0.9
85.02941	1.0
85.06586	0.5
88.77940	0.5
92.24743	0.5
92.99816	1.5
93.03534	0.5
99.00877	2.6
99.08154	2.1
107.05025	0.5
111.00880	2.4
113.02442	1.4
113.09740	0.9
127.00371	5.8
127.04013	1.5
137.06134	0.6
151.11340	0.8
151.71942	0.5
153.12849	63.0
154.13190	1.9
154.99849	0.6
155.10793	1.5
155.13237	0.9
155.14409	9.6
156.89462	1.2
162.83902	9.2
163.83957	0.5
164.83611	7.7
166.99814	0.6
171.08125	1.1
181.12343	17.2
183.08138	1.6
184.08850	1.1
197.09737	0.7
197.11696	0.9
198.90808	3.4
199.11378	7.3
199.13379	100.0
199.16995	5.0
199.80492	6.3
200.13742	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	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82268	0.3
55.21290	0.2
57.87494	0.3
59.01379	100.0
60.01711	0.9
68.50235	0.3
69.37674	0.3
69.39758	2.2
77.06779	0.3
84.91287	0.3
96.90463	0.3
98.20620	0.7
100.76875	0.3
113.04587	0.4
148.16685	0.3
157.03568	5.6
157.55867	0.3
158.03732	0.4
159.01483	1.3
168.76634	0.3
174.63828	0.3
201.02544	10.7
202.02722	0.7
216.55768	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.5
57.03427	3.0
59.01358	2.9
61.98828	32.5
67.01880	3.8
68.99810	4.9
71.01369	2.1
71.05017	3.8
71.52122	0.8
72.99305	72.0
73.02943	1.5
74.69324	0.9
80.98570	1.0
83.01363	2.4
83.04989	1.4
85.02922	1.2
92.99813	4.0
93.03448	2.4
97.06585	1.0
99.00890	6.9
99.01418	1.4
99.04518	1.3
99.08157	1.7
99.92580	1.3
111.00854	5.4
113.02410	2.3
116.92815	1.0
121.60827	0.9
125.02367	1.2
127.00394	10.8
127.04006	2.9
136.98753	2.4
137.09695	1.5
153.12842	57.1
153.86658	0.9
154.13101	1.8
154.99825	1.1
155.08604	1.7
155.10808	4.5
155.14410	10.9
156.89426	1.3
157.10185	1.2
162.83917	21.0
163.83965	1.4
164.83600	19.2
171.04416	1.2
180.97618	1.0
181.12337	17.7
184.08946	2.7
185.06027	2.0
198.90758	4.9
199.04041	1.5
199.06133	2.0
199.07623	5.4
199.09659	3.0
199.11340	12.3
199.13374	100.0
199.17044	10.1
199.80493	15.2
200.13713	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	199.1339
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
53.83697	0.5
59.01371	1.7
69.43486	3.4
71.05018	0.9
92.99811	0.9
99.00888	1.1
99.04512	0.7
111.00879	1.1
111.04695	0.6
113.02473	0.8
127.00368	1.3
130.53789	0.7
155.10825	1.2
156.05840	1.0
162.83936	4.2
162.85083	0.8
164.83598	3.7
169.12355	5.8
181.12347	24.6
182.12665	0.9
184.05327	0.7
185.06087	0.6
197.11876	2.3
199.04021	1.0
199.07655	2.9
199.13393	100.0
199.17128	2.6
199.80516	2.9
200.04987	0.7
200.13690	4.4
211.26921	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36914	0.6
55.01883	0.6
57.03454	3.7
61.98833	3.3
69.03444	1.3
70.20316	0.5
71.05019	1.4
71.22429	1.1
80.02647	1.2
81.03474	3.2
83.05025	12.8
85.06591	1.3
95.01451	0.7
95.05038	5.2
96.96000	0.9
97.02877	0.5
97.06593	29.3
98.06909	0.9
109.02934	0.9
109.06590	2.4
111.04510	0.8
111.08163	25.1
116.92876	1.7
121.03008	0.7
123.00892	2.9
125.02400	0.7
126.90508	2.0
135.08119	0.8
137.02460	0.7
137.09714	1.5
147.11800	2.6
149.09677	1.4
153.05582	0.6
153.12776	1.0
155.08691	1.6
158.07463	1.3
160.84204	7.8
162.83917	20.6
162.85315	1.0
163.11282	9.5
165.12846	100.0
166.13190	4.7
166.99835	2.1
167.04956	5.1
169.10214	14.9
170.07343	0.7
170.10652	1.0
171.08138	0.7
178.99837	0.7
180.05725	1.0
181.06593	7.5
182.02194	4.1
182.05812	1.3
182.07343	10.8
195.08087	4.7
196.08687	1.0
197.09720	94.3
197.15556	1.6
197.80814	9.9
198.10069	4.9
209.11794	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	199.0975
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
57.03430	2.5
59.01373	0.9
67.05502	1.2
69.03457	19.9
70.13828	2.7
70.14174	0.8
71.01376	2.7
71.05006	1.5
72.99306	17.4
75.00851	0.8
79.95729	0.8
81.03458	1.0
95.05000	1.2
97.06630	1.1
105.07101	1.5
106.04149	0.8
107.08662	7.3
119.08652	3.2
121.06602	0.8
123.08154	6.3
125.09699	3.3
133.06604	2.0
135.08176	3.0
137.09692	2.3
151.07671	1.2
153.09224	4.8
155.10762	2.2
163.07640	3.0
164.83641	1.0
169.08734	5.3
181.08708	12.4
197.08226	1.2
199.09746	100.0
199.17029	2.1
200.10048	2.7
202.49799	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0975
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
52.96690	0.9
57.03454	1.4
60.27630	0.8
67.01847	0.9
67.05531	1.0
69.03455	17.2
69.55676	6.5
71.01389	1.2
71.05014	1.0
72.99300	17.9
74.77059	0.8
79.95742	2.2
80.01399	0.9
85.02946	1.5
86.07477	0.8
101.02351	0.8
105.07092	1.7
107.08662	6.7
111.00983	1.0
113.02460	1.3
114.91836	0.8
119.08627	1.0
123.08150	5.1
125.09708	1.7
127.03938	0.9
133.06601	2.2
135.08159	2.6
137.09634	1.1
140.46777	1.0
147.73438	0.8
153.09215	6.3
153.10284	1.0
155.10777	1.7
155.76054	0.8
162.83842	0.9
163.07701	2.2
164.83545	1.1
165.99123	1.4
169.08722	3.4
181.08696	10.3
188.24442	1.0
199.09749	100.0
200.10117	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	199.0975
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
52.23981	0.7
56.35163	0.8
56.35472	0.6
57.03440	1.4
67.01932	0.8
67.05523	1.2
69.03452	18.3
70.79890	1.8
71.01376	2.1
72.99306	17.2
79.95731	1.8
80.91680	0.9
81.03490	0.8
85.02963	1.2
93.03426	0.7
95.05026	0.9
97.06597	1.2
105.07119	1.3
107.08675	8.0
109.06573	1.1
117.69558	0.8
119.08659	1.0
123.08153	6.6
125.09712	2.5
133.06590	2.9
135.08180	3.0
137.09692	1.9
151.07649	0.9
153.09201	7.4
153.25449	0.7
155.10794	2.3
162.83902	4.8
163.07613	2.3
163.78603	0.8
164.83611	2.9
169.08690	5.1
181.08684	10.4
193.96204	0.7
197.08165	1.0
199.09746	100.0
199.17000	1.5
199.80566	4.0
200.10110	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	1.0
65.00348	0.8
67.40890	0.8
69.03477	1.5
71.05019	100.0
71.52419	0.9
72.05350	1.6
74.58939	0.7
75.60186	0.8
83.04589	0.8
83.05026	4.4
95.01405	0.8
113.03619	0.8
118.85908	0.7
123.00882	3.5
125.09746	1.9
126.90493	2.1
135.08093	0.8
137.09711	2.5
138.03238	0.9
153.05496	0.8
153.09286	2.0
153.12848	26.5
154.13182	1.0
160.84210	15.0
161.84206	1.2
162.83911	39.9
166.99852	2.9
182.02206	4.2
196.81096	1.2
197.04562	1.8
197.11804	15.0
197.80795	23.6
217.54358	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
52.60151	0.9
56.94297	0.8
57.03443	2.9
59.01373	1.5
61.72185	0.9
61.98832	1.6
62.78336	0.9
65.00343	0.9
65.69991	0.9
69.03455	2.3
70.79213	0.9
71.05020	100.0
71.52581	1.5
72.05352	1.1
73.02983	1.2
80.96514	1.0
83.05020	5.0
84.73296	0.9
95.01398	1.4
108.02215	1.2
109.02985	2.0
121.02938	2.2
123.00903	7.2
123.04527	1.0
125.02473	2.1
125.09766	1.5
126.90525	3.6
137.09726	3.1
138.03258	2.2
153.01901	2.1
153.05565	2.4
153.09190	1.4
153.12845	30.8
154.13156	1.0
160.84187	7.1
162.83911	26.5
166.99844	5.1
169.12334	2.7
178.99960	1.2
179.10646	0.9
182.02203	10.8
182.05829	1.7
197.00937	2.1
197.04512	4.1
197.06142	2.3
197.08104	1.3
197.09753	7.6
197.11826	34.5
197.80788	13.7
198.12189	0.9
213.44130	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01375	0.2
59.01372	1.1
61.98833	1.3
65.00352	0.2
69.03455	2.4
70.64265	0.5
70.64629	0.4
71.01372	0.3
72.99310	0.3
75.62878	0.2
81.03458	0.4
83.05022	1.5
91.86579	0.3
93.03452	0.3
95.01395	0.6
97.06583	0.5
106.21683	0.2
109.02974	0.6
116.92860	0.6
121.02937	0.7
123.00864	2.0
123.08138	0.6
125.02448	0.8
125.09730	0.7
126.90525	1.5
130.99239	0.3
135.08176	0.3
137.02448	0.6
137.06104	0.3
137.09724	0.3
138.03218	0.6
139.03931	0.3
140.90012	0.2
141.09232	1.2
151.11276	1.0
153.01915	0.4
153.05603	0.5
153.09233	1.9
153.12837	5.2
160.84203	5.1
162.83914	12.9
165.12779	0.3
166.99858	1.4
169.12335	18.8
170.12659	0.8
178.99777	0.6
179.10757	2.2
182.02217	2.4
182.05852	0.3
197.04555	0.9
197.11821	100.0
197.80769	7.5
197.82506	0.5
198.12148	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.03440	2.9
69.03445	1.3
69.26676	7.9
71.05024	19.4
72.04887	0.8
81.25504	0.9
83.05022	4.5
89.07809	1.0
94.16269	0.8
99.04512	3.1
109.06551	1.4
123.00901	1.8
137.09776	1.1
151.11256	4.6
153.09265	1.9
153.12849	6.6
161.09731	1.5
162.83881	2.1
166.99808	1.3
167.99377	1.4
179.10762	1.6
182.02214	2.8
183.01741	1.5
197.11838	100.0
197.80779	2.4
198.04027	0.8
198.12163	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	197.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	50.7
59.01360	1.4
69.26776	13.3
71.01368	1.9
71.05015	7.3
72.00557	1.2
78.37016	1.4
81.07090	2.5
83.05032	3.0
85.06594	3.1
91.84105	1.4
97.06644	1.9
111.08160	21.3
115.15679	1.4
119.08723	1.7
123.00897	2.9
126.90464	3.4
135.08209	1.6
135.11810	1.6
137.09729	22.4
139.07652	23.6
146.09969	1.3
150.18848	1.5
151.11234	1.6
153.09177	1.4
153.12810	3.9
166.99899	1.8
171.20886	1.4
182.02242	6.2
182.05882	1.5
190.30963	1.5
197.11824	100.0
198.12045	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	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.39660	0.6
55.01841	0.6
59.01381	1.4
61.98831	1.6
69.03452	2.4
71.05043	1.2
71.52949	0.8
71.53310	0.7
74.38775	0.6
83.05009	1.1
85.02989	0.7
95.01364	0.7
97.06612	0.7
109.02951	1.3
110.71254	0.6
114.13866	0.6
116.92861	1.2
123.00862	2.7
123.08163	0.7
125.02466	1.4
126.90501	2.4
137.02455	5.7
141.09212	1.0
151.04033	0.8
151.11276	0.9
153.09195	2.3
153.12863	4.4
153.13914	0.8
155.08615	0.8
157.06621	0.7
160.84212	10.9
161.84200	1.2
162.83916	29.5
162.85278	1.4
166.99818	1.9
167.05025	1.4
169.06549	2.3
169.10168	1.8
169.12337	16.9
178.99872	0.9
179.10701	1.4
181.06554	2.9
182.02255	3.7
182.05809	11.8
182.07356	4.9
195.08118	2.0
196.98364	0.7
197.04514	1.4
197.06291	4.4
197.08136	3.4
197.09721	35.7
197.11804	100.0
197.80786	19.1
198.06801	1.3
198.10194	1.2
198.12144	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	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
51.07387	0.2
56.57122	0.2
59.01373	0.7
61.98833	1.2
69.03457	1.7
70.82290	0.6
70.82628	0.3
71.01383	0.4
81.03443	0.3
83.05024	1.2
83.72512	0.2
91.01167	0.3
95.05016	0.3
97.06618	0.6
97.64339	0.2
109.02922	0.3
112.18182	0.2
116.92863	0.4
123.00877	1.1
123.08183	0.4
125.02476	0.4
126.90506	0.7
135.08089	0.2
136.44911	0.2
137.09628	0.2
141.09210	1.0
151.11287	0.7
153.01955	0.3
153.09212	1.9
153.12851	5.0
160.84196	4.0
161.84262	0.4
162.83917	9.3
166.99881	0.7
169.12334	19.9
169.81660	0.3
170.12686	0.5
179.10767	2.0
182.02199	1.7
196.80995	0.3
196.89479	0.3
197.11819	100.0
197.80777	4.6
198.12140	3.7
204.28941	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1184
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
51.36483	0.4
55.01876	0.4
61.98815	1.7
69.03455	0.6
69.72770	0.4
70.30965	1.7
71.05012	1.5
75.10062	0.4
89.26041	0.5
94.04253	0.4
95.01407	0.5
97.06588	16.4
99.08159	4.9
109.02950	0.9
109.06558	0.6
116.92870	1.0
118.13312	0.4
121.02933	0.8
122.03719	1.8
123.00868	1.2
125.09710	0.8
126.03230	1.0
126.90511	2.0
135.08221	0.4
137.02463	0.7
137.09711	1.7
138.03261	0.6
138.63780	0.4
151.11238	1.2
153.01944	0.6
153.12846	100.0
154.13152	3.2
160.84209	5.5
161.84235	0.7
162.83910	16.4
166.99820	0.9
169.12329	0.9
179.10776	21.5
180.11160	1.4
182.02190	2.9
182.05838	1.9
182.07318	0.7
197.02081	1.5
197.04504	1.2
197.08162	0.8
197.09756	2.8
197.11829	9.3
197.80795	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	197.0204
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
54.55387	0.3
59.01368	0.4
61.98825	0.8
63.02377	0.3
64.01904	0.9
65.00306	0.3
65.03966	1.9
66.03508	0.3
67.01888	0.5
69.29211	1.9
69.29614	0.5
71.01365	0.3
72.99318	0.6
78.86840	0.3
81.03445	0.7
83.01357	0.3
85.89862	0.3
88.01919	0.4
91.66154	0.3
93.03428	1.5
95.01369	0.7
98.20686	0.5
109.02952	12.2
109.03707	0.6
109.06561	0.4
110.02475	0.6
112.01672	0.4
116.92850	0.5
121.02927	1.7
122.02467	1.2
123.00877	1.9
123.04535	0.3
125.02411	0.8
126.90524	2.0
136.26306	0.3
137.02444	21.9
137.85657	0.3
138.01936	1.0
138.03154	0.9
139.02780	0.4
140.03548	4.0
141.07088	0.3
143.08664	3.1
150.01962	3.7
151.02560	0.3
151.43201	0.3
153.01950	0.5
153.05569	0.3
153.12817	0.7
155.08640	0.7
160.84213	5.6
161.84253	0.7
162.83907	14.6
166.01439	1.3
167.00002	1.9
167.02217	10.2
168.02620	0.5
169.06577	1.0
169.10185	0.8
169.12390	0.4
171.08159	0.7
174.39014	0.3
179.10733	0.4
180.01764	13.5
181.02109	0.6
181.06557	1.3
182.02225	3.3
182.05875	0.6
182.07338	2.7
195.08090	1.4
196.08775	0.3
197.02026	100.0
197.09705	15.6
197.11794	4.6
197.15518	0.5
197.80768	7.2
198.02380	3.2
198.10025	1.0
198.11784	0.3
212.00732	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	197.0971
Annotation	3-Hydroxybibenzyl
Peak:m/z	Relative Intensity
50.59583	0.3
50.78197	0.4
55.01883	2.3
59.01371	0.5
67.01891	0.7
69.38773	2.1
71.05011	0.4
83.42885	0.3
93.03407	0.6
105.87605	0.3
109.02969	0.3
112.01660	1.1
114.10160	0.3
116.92867	0.4
123.00893	1.1
126.90512	0.7
130.99303	0.3
137.70428	0.3
138.03215	0.4
141.07104	0.6
143.08672	0.4
144.05840	0.4
153.01962	0.3
153.12852	1.0
154.04250	0.7
154.07837	0.3
155.08679	1.6
157.06558	0.5
159.08180	0.4
160.84203	5.1
162.83911	15.7
166.99876	0.4
167.05045	1.3
168.05797	0.3
169.06577	8.4
169.10223	2.5
169.12349	0.8
170.07036	0.7
171.04507	0.4
171.08154	2.2
179.08688	0.4
180.05783	1.0
181.06586	5.0
182.02222	1.2
182.03719	0.4
182.05779	0.8
182.07338	8.1
195.04364	0.4
195.08109	2.6
196.05342	0.4
196.08882	1.1
197.06058	5.2
197.09720	100.0
197.11723	7.4
197.80777	9.4
198.03990	0.3
198.06958	1.5
198.10046	6.2
198.11951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0971
Annotation	3-Hydroxybibenzyl
Peak:m/z	Relative Intensity
50.79092	0.3
53.05341	0.3
55.01876	0.5
61.98824	1.7
65.00320	0.4
69.55698	0.7
69.56107	1.9
79.05538	4.1
79.42498	0.3
93.03449	0.3
95.01386	0.4
95.17183	0.4
104.57525	0.3
107.97100	0.3
109.02976	0.9
115.05470	0.4
117.03446	0.7
123.00867	0.6
126.90496	0.8
137.02438	1.3
138.03183	0.4
153.07137	0.5
154.07843	0.5
155.08673	4.3
156.05818	0.8
156.63130	0.4
157.06613	1.6
160.84216	5.3
161.84299	0.4
162.83917	15.6
166.99925	0.6
167.02151	0.7
167.05022	5.1
169.06610	1.2
169.10228	7.9
169.12422	0.4
170.07384	1.2
170.10550	0.4
171.08154	1.6
179.08681	0.7
180.05829	1.6
181.06609	9.2
182.00598	0.3
182.02232	1.3
182.05904	0.7
182.07355	14.1
183.04289	0.5
183.07755	0.7
194.07362	0.5
195.04630	0.4
195.08151	7.0
196.05313	0.8
196.08864	1.3
197.02090	4.5
197.06126	2.9
197.09724	100.0
197.80800	8.7
198.06895	0.6
198.10045	6.1
202.06409	0.4
214.06311	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55647	0.9
50.98913	0.9
56.42419	0.8
57.03430	1.2
59.01371	3.8
60.64002	0.8
61.98828	100.0
63.51700	0.8
65.00293	0.9
71.01379	2.8
71.04994	1.1
71.51165	1.5
75.54153	1.0
76.16388	1.0
79.95284	1.8
79.95734	25.4
80.96503	1.4
81.03436	1.4
84.48299	0.8
85.02924	1.0
89.95272	0.8
93.03438	1.7
95.01384	1.9
95.05019	1.5
95.95229	37.6
96.96008	58.8
97.02940	1.6
98.95592	1.4
100.67397	1.0
105.77285	0.7
106.04225	2.9
107.05025	16.2
108.02168	84.0
109.01423	0.9
109.02422	2.5
109.02989	2.9
109.06557	1.7
115.00354	3.1
121.02937	1.5
122.06056	1.7
123.00882	7.2
123.04528	6.7
125.02420	1.4
125.06127	0.9
126.90503	7.8
126.98882	1.1
127.02502	12.1
129.00443	9.4
130.00476	1.0
134.03656	1.1
134.86542	9.0
135.00874	1.3
135.04521	25.9
135.08150	2.2
136.04892	1.0
136.07669	2.1
136.98862	1.0
137.02414	2.9
138.03252	2.0
139.04048	1.0
141.95766	2.4
150.05579	1.3
151.04001	1.1
152.01152	40.7
152.88547	2.4
152.98517	1.3
153.01424	2.1
153.05606	4.8
160.84209	10.2
161.84276	1.1
162.83910	30.0
166.99887	5.4
167.03473	1.0
171.01476	12.8
172.39040	0.9
175.01547	1.5
178.99973	1.4
179.03473	7.2
180.06566	1.0
182.02211	9.9
182.05817	3.5
196.21753	1.0
196.91020	1.3
196.99461	1.5
197.01070	10.3
197.04465	10.7
197.05983	1.2
197.08131	3.2
197.09872	1.4
197.11697	5.0
197.51135	1.1
197.80803	19.4
197.85194	4.8
198.07663	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	195.139
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
52.93990	0.2
56.28534	0.2
61.98819	1.1
64.45433	0.2
68.99560	0.5
70.27293	0.5
70.27679	0.7
79.44068	0.3
94.04227	0.3
99.08134	0.3
101.00217	0.3
107.05025	0.3
108.11420	0.3
109.06586	4.2
111.08154	4.3
112.98527	0.5
122.03773	0.5
123.00875	0.3
123.04565	0.3
125.09729	1.1
135.11812	0.3
138.06844	0.8
139.07607	0.6
151.11339	0.2
152.91681	0.3
160.84206	8.6
165.01926	0.3
165.05598	0.3
165.12868	0.3
167.14400	7.5
168.14699	0.3
179.10770	5.7
180.04231	0.3
180.11426	0.6
181.04382	0.3
194.99382	0.3
195.13896	100.0
195.81081	3.3
196.14250	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	195.139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	96.6
59.01375	2.3
67.01871	1.1
69.03459	7.8
70.15762	3.1
70.16114	1.0
71.01337	0.9
71.05013	1.4
71.44783	0.8
72.26524	1.0
75.00875	1.5
75.14729	0.8
83.05019	6.0
85.06576	6.0
87.00867	0.9
95.05019	2.4
107.05005	7.2
108.02160	1.1
109.06591	33.7
109.10263	1.4
120.05802	2.7
121.06588	1.6
122.03728	1.0
123.00919	1.1
123.08167	95.1
124.08507	2.4
125.09733	21.0
133.10196	0.8
135.08174	28.3
136.08498	1.0
137.02489	1.1
137.09729	1.1
139.00346	1.1
149.09705	2.6
150.03261	5.5
151.00357	1.3
151.07689	1.1
151.10123	1.2
151.11305	16.7
152.04764	3.4
160.84190	4.0
165.05579	3.3
177.12881	6.0
179.10745	4.5
180.04286	67.6
181.04694	2.8
195.05066	1.4
195.06668	14.3
195.10318	8.9
195.13902	100.0
195.81110	1.6
196.14267	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	195.051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68399	1.3
57.03440	5.3
59.01384	29.6
70.85085	3.6
71.01385	23.3
72.99316	10.3
75.00874	76.5
83.01385	3.9
84.02223	1.5
85.02943	8.2
87.00877	77.3
89.02433	14.0
99.00886	12.5
101.02448	2.9
105.01937	100.0
111.00892	7.1
129.01950	54.5
136.76651	1.5
147.02998	35.8
159.02977	3.2
165.04070	2.5
177.04057	30.4
195.05104	77.2
199.78217	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	195.0509
Annotation	D-Gluconic acid
Peak:m/z	Relative Intensity
57.03447	7.1
59.01381	34.5
63.40109	1.1
71.01382	20.3
71.50514	1.5
72.99310	10.8
73.02948	2.1
75.00874	77.6
80.84621	1.2
80.96521	3.2
83.01392	5.6
85.02948	8.5
87.00878	73.2
88.01221	1.7
89.02444	15.5
93.03453	1.7
99.00877	11.5
101.02444	3.7
105.01936	100.0
111.00880	7.6
117.01958	2.7
118.01898	1.3
121.02929	1.8
129.01947	53.4
131.03508	1.6
147.02994	36.8
149.04565	2.0
159.02992	3.8
163.61938	1.2
165.04048	3.2
177.04036	28.5
195.05093	80.8
195.06564	3.6
196.05482	2.3
214.56200	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	7.1
59.01381	34.5
63.40109	1.1
71.01382	20.3
71.50514	1.5
72.99310	10.8
73.02948	2.1
75.00874	77.6
80.84621	1.2
80.96521	3.2
83.01392	5.6
85.02948	8.5
87.00878	73.2
88.01221	1.7
89.02444	15.5
93.03453	1.7
99.00877	11.5
101.02444	3.7
105.01936	100.0
111.00880	7.6
117.01958	2.7
118.01898	1.3
121.02929	1.8
129.01947	53.4
131.03508	1.6
147.02994	36.8
149.04565	2.0
159.02992	3.8
163.61938	1.2
165.04048	3.2
177.04036	28.5
195.05093	80.8
195.06564	3.6
196.05482	2.3
214.56200	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0661
Annotation	Isosafrol glycol
Peak:m/z	Relative Intensity
55.01863	0.8
57.03452	1.9
61.55993	0.8
62.48255	0.7
65.00326	1.0
65.03958	6.2
70.89555	2.0
77.03974	1.4
79.01884	2.8
81.03458	6.7
83.05012	7.7
93.03458	60.4
94.03777	1.0
95.01382	1.8
95.05023	5.7
106.04291	1.2
107.05030	38.1
108.02182	7.6
108.05370	1.0
109.02955	8.2
111.04539	4.9
118.64098	1.0
121.02953	44.5
125.02401	1.1
125.06071	1.0
133.06561	1.4
138.03220	1.7
149.02452	1.1
150.03197	5.2
151.04015	5.2
151.07578	1.3
160.84206	6.4
165.01863	1.0
165.05579	3.5
166.18956	0.9
177.05577	11.8
180.04234	2.1
185.44536	1.0
194.03679	0.9
195.06618	100.0
195.80960	2.4
196.06973	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	195.066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73461	0.1
57.03447	0.3
59.01394	0.2
69.44150	0.5
69.44559	0.2
71.01378	0.2
75.00917	0.1
76.41110	0.1
80.43050	0.1
83.01384	0.1
87.00870	0.1
93.03495	0.2
95.01393	0.2
95.05085	0.1
97.02981	0.2
105.01950	0.2
107.05053	0.3
108.02191	0.2
109.02986	0.2
109.06606	0.1
111.00884	0.4
119.09683	0.1
119.98683	0.1
121.02962	0.4
122.03729	0.1
123.00864	1.7
123.04515	0.4
123.08152	0.3
124.01675	1.0
125.02447	0.2
127.00340	0.1
135.04575	0.1
135.08136	0.1
137.02408	0.6
139.00369	1.1
139.99440	0.1
140.01173	0.4
141.01979	0.1
149.02397	0.1
149.81973	0.1
150.03239	0.9
151.00363	1.5
151.03999	0.4
151.07689	0.1
152.04785	4.5
153.05144	0.2
160.84193	0.7
165.01936	0.7
165.05609	0.7
179.03511	0.7
180.04276	100.0
181.02979	0.2
181.04608	4.1
195.03117	0.5
195.06618	17.7
195.10229	0.6
195.13847	0.3
195.81120	0.3
196.06996	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0868
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
65.03968	0.3
70.83137	0.4
70.83473	0.3
76.19743	0.2
85.60198	0.2
107.05039	0.8
109.02962	0.3
127.97507	0.2
129.04535	0.2
135.04526	30.7
136.04825	0.8
138.05457	0.2
149.06065	0.4
161.04520	0.3
163.04012	100.0
164.04353	3.6
177.05647	0.2
178.06352	53.7
179.06696	2.1
193.06992	0.3
193.08696	5.6
194.09038	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0298
Annotation	3-(3,4-Dihydroxyphenyl)pyruvate
Peak:m/z	Relative Intensity
61.98822	2.3
70.99094	1.0
77.03971	4.2
79.05529	2.4
86.70472	0.7
87.00832	0.8
91.41048	0.7
93.03455	29.6
94.03822	1.1
95.05012	10.2
105.03432	6.3
106.04243	2.7
107.05027	73.9
108.02139	1.2
108.05335	2.1
121.02954	8.6
123.04521	71.9
124.04848	2.2
133.02950	10.8
149.02438	3.4
151.04001	67.2
152.04330	2.8
160.84207	10.0
180.04347	4.4
195.02979	100.0
195.81129	2.2
196.03354	3.0
198.30083	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0299
Annotation	1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one
Peak:m/z	Relative Intensity
57.03442	1.7
57.21406	0.5
59.01381	2.4
65.03963	10.2
67.01884	1.3
71.01380	1.3
71.52338	1.0
81.41518	0.5
83.01390	1.1
85.02930	0.7
87.00887	0.6
91.01901	7.5
91.05527	1.0
91.34217	0.5
91.38191	0.6
93.03461	1.4
93.07170	0.7
95.01389	2.7
99.00858	0.7
102.75463	0.6
105.01968	1.4
107.01402	3.5
107.05039	10.7
107.06940	0.7
108.02184	3.6
109.02961	18.4
109.06595	1.5
110.06071	0.6
111.00885	11.9
119.05033	1.1
121.02972	1.9
122.03755	1.0
123.00896	19.0
123.04510	2.0
123.08187	2.7
124.01675	22.1
133.02968	1.3
135.00890	12.5
135.04538	0.7
136.01634	0.9
137.02466	2.4
139.00388	2.4
148.85391	0.6
149.02446	2.0
149.09663	1.1
150.03233	11.0
151.04013	51.0
151.11320	1.5
152.01115	3.8
152.04384	1.6
153.01944	2.3
153.09187	0.9
156.47478	0.6
160.84212	4.4
165.01868	3.5
165.05568	7.6
167.03528	5.3
167.10754	1.1
177.09155	1.3
180.00577	0.5
180.04282	9.1
192.44954	0.5
194.69614	0.6
195.02994	100.0
195.06544	4.0
195.10226	4.0
195.13910	1.4
195.81123	2.2
196.03264	3.9
200.24037	0.6
207.99063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1077
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.13823	0.2
53.57471	0.2
53.60877	0.2
57.03431	0.9
59.01378	1.1
67.01867	0.6
69.66402	1.2
69.98520	0.2
71.01382	0.2
73.02957	0.3
85.02952	6.4
87.00874	5.7
93.03460	1.0
107.05008	0.8
108.02184	0.2
111.00877	10.6
111.04522	0.2
112.01184	0.3
119.05029	0.3
121.02965	0.7
121.06606	0.4
122.03743	5.3
124.11432	0.2
127.04001	0.5
129.01944	0.8
134.03737	3.2
135.04524	10.2
136.05328	5.2
137.05910	0.3
147.04503	0.5
148.05305	12.1
149.06087	4.3
150.06828	0.2
151.11200	0.3
159.04558	0.3
160.05293	0.5
161.06073	14.9
161.09700	0.6
162.06683	0.8
163.07645	1.0
173.00870	0.3
173.09680	0.6
175.07617	1.1
176.08417	100.0
177.08771	4.1
187.07674	0.3
188.93385	0.2
189.09119	0.4
190.09973	5.9
191.02103	1.1
191.03668	0.6
191.05608	10.1
191.06947	0.4
191.10764	19.1
192.11079	1.0
195.10272	0.3
205.08699	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	191.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72090	0.2
55.01896	0.3
57.03451	0.8
59.01372	1.4
67.01901	0.8
69.26846	0.4
69.27262	1.2
71.01405	0.7
72.99342	0.2
73.02958	0.4
81.03483	0.3
83.05027	0.3
85.02948	9.7
86.03278	0.2
87.00870	5.7
87.01373	0.3
93.03447	2.1
99.00892	0.3
99.04540	0.3
104.02654	0.3
107.05040	0.5
108.24174	0.2
109.02958	0.8
111.00874	10.5
111.04518	0.7
115.04058	0.2
119.05042	0.4
121.02951	0.6
121.06587	0.3
122.03736	5.3
127.04028	1.3
129.01942	0.5
134.03725	2.8
135.04515	9.3
136.05324	4.6
137.06061	0.3
143.38115	0.2
147.04529	0.7
147.08199	0.2
148.01666	0.2
148.05293	11.7
149.06079	4.2
150.06630	0.3
160.05305	0.5
161.06067	13.9
161.09645	0.5
162.06619	1.1
163.07661	1.0
171.02991	0.2
173.04576	0.6
173.09705	0.6
174.06776	0.2
175.07625	0.9
176.01164	0.8
176.08409	100.0
177.08784	4.3
179.10713	0.2
187.07634	0.3
189.09209	0.3
190.08264	0.3
190.09982	5.5
191.01924	0.8
191.05597	23.0
191.10750	19.9
192.05952	0.7
192.11130	1.0
195.10281	0.2
205.08675	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	191.056
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
52.43723	0.3
57.03448	2.2
59.01376	5.1
60.99302	0.3
65.35915	0.3
67.01890	1.9
68.23375	0.3
69.03453	1.1
71.01377	2.6
71.53100	0.4
72.99306	0.4
73.02944	1.3
81.03441	1.6
83.01405	0.3
83.05025	1.0
83.29385	0.3
85.02950	34.5
86.03283	0.6
87.00875	15.0
93.03457	8.7
94.03793	0.5
99.04529	1.0
108.02151	0.5
109.02950	2.3
111.00883	22.6
111.04525	3.3
113.02435	0.5
119.05017	0.5
122.03761	0.5
127.04011	5.3
129.01938	1.5
134.03682	0.5
135.04562	1.5
136.05280	0.5
137.02458	0.4
147.04497	0.5
147.08214	0.3
148.05289	2.0
149.06044	0.6
150.06886	0.4
151.52611	0.4
155.03452	0.4
161.06079	1.9
162.79665	0.3
171.02950	1.5
173.04549	2.4
176.01138	1.2
176.08427	14.3
177.08844	0.7
178.56258	0.3
190.09961	0.5
191.02151	2.2
191.05606	100.0
191.10606	3.2
192.05931	2.8
205.08716	0.5
211.10582	0.3
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	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
Peak:m/z	Relative Intensity
52.25091	0.3
57.03448	4.8
57.16858	0.4
59.01378	5.0
60.99315	0.3
67.01900	2.9
69.03442	0.7
69.74361	1.9
71.01374	3.5
71.60972	0.4
72.67243	0.4
72.99314	0.6
73.02950	2.0
81.03441	0.9
83.05028	1.2
85.02951	44.1
86.03293	0.6
87.00876	34.1
93.03456	8.7
94.03783	0.5
99.00899	0.7
99.04512	1.2
101.02428	0.6
102.01970	0.4
109.02960	2.1
111.00883	58.4
111.04522	2.5
112.01218	1.2
113.02432	0.6
115.00354	1.4
117.01927	1.5
120.23354	0.3
127.04005	5.9
129.01944	3.9
129.05612	0.4
130.99805	0.6
148.95035	0.5
154.99915	0.6
155.03493	0.4
171.02924	1.6
173.00859	0.7
173.04507	2.1
191.02052	4.8
191.05609	100.0
192.05959	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	191.0561
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
50.21237	0.3
57.03438	1.1
59.01377	4.4
62.78469	0.2
67.01892	1.4
69.03447	0.9
69.30375	2.2
71.01385	2.4
73.02943	1.1
81.03471	1.4
83.05024	1.3
85.02948	29.9
86.03281	0.5
87.00874	8.5
93.03456	9.6
95.01338	0.3
96.96049	0.3
99.04524	1.0
101.02448	0.3
109.02959	2.8
111.00877	7.2
111.04516	3.6
113.02444	0.4
125.02431	0.3
127.04015	5.2
143.03519	0.2
155.03485	0.4
171.03035	1.4
173.04539	2.6
176.01016	0.4
191.05618	100.0
192.05933	2.5
193.25705	0.2
207.60966	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.035
Annotation	Scopoletin
Peak:m/z	Relative Intensity
52.85818	0.3
57.03449	1.8
59.01379	1.6
63.02401	1.5
64.67413	0.2
64.80598	0.3
65.00325	0.8
67.01888	1.0
69.03430	0.4
69.29251	0.3
71.01385	0.8
71.51970	0.4
73.02925	0.5
74.19273	0.3
81.03454	1.6
83.01385	0.3
85.02952	11.9
87.00875	11.6
91.05519	0.4
93.03460	2.4
104.02686	20.4
105.02934	0.5
105.03565	0.5
107.01336	0.6
109.02961	0.7
111.00880	19.9
111.04490	0.7
112.01194	0.3
113.02419	0.4
117.01920	0.4
119.05031	0.5
120.02166	1.6
121.02986	0.3
123.00922	0.6
123.04513	0.6
127.04040	1.5
129.01924	1.1
135.04543	0.3
147.04529	1.6
148.01665	20.8
149.02354	1.3
171.02959	0.4
173.00865	0.3
173.04591	0.6
176.01144	100.0
177.01469	3.8
180.00629	0.5
191.02031	2.2
191.03506	47.6
191.05591	25.9
191.07089	1.2
192.03830	2.1
192.05948	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.035
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03439	1.1
59.01374	1.6
67.01885	0.6
69.50088	1.8
70.51381	0.3
71.01371	0.4
73.02944	0.3
75.13577	0.3
85.02957	7.3
87.00879	6.5
93.03445	1.5
94.76575	0.3
98.19932	0.6
109.02956	0.3
111.00887	11.0
119.05050	1.3
120.02171	0.3
121.02961	100.0
122.03298	2.8
127.04051	0.7
129.01965	0.8
133.02936	1.0
135.04564	0.3
147.04517	7.5
147.08173	0.5
148.01669	0.5
149.06122	0.4
161.02397	0.6
163.04033	1.2
173.04645	0.3
173.06042	0.4
176.01132	1.9
176.08417	0.5
190.99942	0.4
191.01991	1.0
191.03526	9.8
191.05621	14.3
191.07137	1.0
191.10797	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.035
Annotation	Acamelin
Peak:m/z	Relative Intensity
57.03448	1.2
59.01389	0.9
67.01892	0.5
71.01367	0.5
71.52650	0.5
73.02985	0.3
77.03271	0.3
77.03978	1.1
85.02952	6.0
87.00877	6.4
89.03958	0.5
93.03476	1.1
93.60105	0.3
95.05032	2.8
96.05381	0.4
100.34709	0.3
105.03459	1.3
111.00881	10.4
117.03439	0.6
119.01346	0.4
119.05040	0.7
121.02997	0.5
121.06645	0.4
123.04561	1.6
127.03979	0.4
129.01939	0.8
130.80862	0.3
132.02174	1.4
133.02956	100.0
134.03293	3.6
135.04550	0.9
145.02980	1.6
147.04494	0.4
161.02438	60.1
162.02762	2.6
163.03993	5.3
163.05273	0.6
173.01021	0.4
173.02393	1.0
176.01152	0.6
176.08418	1.2
177.82758	0.3
189.01929	61.5
190.02275	2.5
191.02068	1.4
191.03490	33.2
191.05556	9.1
191.07143	1.1
191.10806	0.7
192.03833	1.1
192.06021	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0976
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
52.05165	1.1
55.67952	0.9
57.03444	3.6
59.01380	88.7
69.26300	10.3
80.02745	1.2
97.06587	5.5
98.20686	2.0
99.08161	27.6
108.63180	1.1
115.05521	5.6
123.08134	5.1
125.09724	68.8
127.07661	10.7
143.10783	1.1
145.08708	100.0
146.09053	2.6
169.08717	1.1
172.09764	1.3
183.34987	1.1
187.03958	1.9
187.09776	26.0
187.11304	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	187.1339
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
52.40359	0.5
61.98839	0.7
70.82770	0.8
70.83140	1.5
71.01367	0.7
72.99330	1.0
77.91908	0.6
84.02139	0.8
113.09718	0.7
115.05531	3.8
125.09740	4.0
139.11304	3.6
141.12857	100.0
141.86859	3.0
142.13214	3.5
143.05048	0.6
149.09027	0.5
169.12346	3.0
185.11760	1.1
187.04008	2.0
187.07658	1.8
187.09781	1.7
187.13394	72.1
188.13734	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	188.0353
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
56.87309	0.1
59.01371	0.3
61.98824	0.9
65.99850	0.3
71.50037	0.2
71.50369	0.2
71.91861	0.1
76.14549	0.1
81.44104	0.1
84.27770	0.1
87.92519	0.3
102.03485	0.5
107.08875	0.1
116.05075	0.2
116.05894	0.2
127.07637	0.6
129.05573	0.5
141.86818	3.8
144.04546	100.0
145.04897	4.0
159.03291	1.0
159.87880	0.7
160.03932	0.2
170.88979	0.4
184.94482	0.2
187.60144	0.1
187.86104	0.2
188.03510	3.7
189.07704	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0198
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03445	6.3
59.01372	3.2
67.01884	4.5
69.03454	0.6
70.67424	1.1
71.01388	1.0
72.99316	0.6
85.02403	0.5
85.02947	33.5
87.00874	49.9
88.01221	1.2
93.03477	2.0
99.00842	0.5
100.16074	0.4
101.06094	3.0
106.47048	0.4
111.00877	100.0
112.01227	2.1
115.04002	1.2
127.04034	0.9
129.01953	4.7
129.05612	0.5
148.94957	0.7
154.99791	0.9
173.00891	1.3
184.57333	0.4
191.01965	8.0
191.05603	21.3
192.05934	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02187	0.5
57.03442	6.6
57.25773	0.5
58.46085	0.4
59.01377	5.2
67.01888	4.7
69.03457	0.7
70.07966	0.6
70.08302	1.9
71.01383	4.4
73.02943	2.7
81.03487	1.0
83.01375	0.6
83.05026	1.1
85.02950	52.0
86.03314	1.1
87.00877	46.4
88.01231	0.6
90.27392	0.4
93.03461	9.0
99.00919	1.0
99.04514	1.2
101.02426	1.0
109.02957	2.7
111.00880	83.2
111.04527	3.3
112.01229	3.0
115.00394	2.6
117.01959	2.4
122.50227	0.5
127.04025	5.1
129.01949	5.3
130.99887	0.7
137.02434	0.7
148.94975	0.7
171.02975	2.0
173.00858	1.5
173.04538	2.6
191.02034	7.5
191.05606	100.0
192.05954	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	191.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46095	0.4
57.03449	6.7
59.01378	2.5
62.80460	0.3
64.68608	0.3
67.01886	4.1
71.01391	0.9
71.39298	0.6
72.99313	1.2
73.02966	0.6
76.96679	0.3
81.20313	0.3
85.02953	35.7
85.06599	0.4
86.03288	0.6
87.00879	48.7
88.01224	0.5
88.60724	0.3
93.03456	2.3
99.04510	0.5
101.02441	0.5
101.06083	6.4
103.04060	0.4
109.02934	0.7
111.00884	100.0
111.04532	0.9
112.01248	2.2
115.04038	2.0
127.04029	1.4
129.01965	5.8
129.05580	1.5
130.99890	0.7
145.05122	0.5
147.03018	0.6
154.99925	0.5
171.03004	0.4
173.00935	1.4
173.04504	0.6
187.31322	0.3
191.00247	0.6
191.02003	10.2
191.05617	31.6
192.05997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95093	1.1
59.01377	1.9
61.80239	1.1
69.03459	1.7
69.15289	8.7
69.15691	3.9
71.04991	1.5
80.27969	1.2
82.93288	1.4
83.05021	1.6
98.20707	1.7
113.06065	1.3
125.09708	1.3
137.04492	1.3
137.09703	1.8
139.10207	2.4
139.11295	40.2
140.11531	1.7
141.09225	4.8
141.12871	1.8
142.06667	1.7
147.69849	1.2
155.10677	1.6
167.10796	2.1
169.55493	1.2
185.03455	2.1
185.06215	2.1
185.11827	100.0
186.12193	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	185.1183
Annotation	2-Oxodecanoic acid
Peak:m/z	Relative Intensity
51.55509	0.8
59.89382	0.7
66.18120	0.8
69.03457	1.9
69.65764	4.9
72.99309	52.9
86.76571	0.8
99.08162	2.2
121.10204	1.1
137.09723	1.1
139.11295	48.4
140.11655	2.0
141.12860	2.2
145.53008	0.7
149.15764	0.8
167.10773	100.0
168.11121	3.4
173.06134	0.8
185.03445	2.3
185.11826	65.1
186.12164	2.5
186.13763	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0612
Annotation	2-Oxosuberate
Peak:m/z	Relative Intensity
55.01874	2.5
57.03436	2.9
58.02971	3.0
59.01381	58.2
60.99287	1.4
68.99811	1.7
69.03457	2.3
71.01381	4.6
71.05015	4.6
71.50127	1.4
72.75224	0.9
72.99306	7.9
73.02937	9.7
73.04075	1.7
79.60350	1.0
80.96288	1.1
81.03432	1.1
81.07122	1.2
83.01376	2.2
83.05016	7.7
84.04562	1.5
84.66188	1.0
85.02953	2.9
87.00869	10.7
87.92529	4.3
88.04025	2.5
88.98801	1.5
89.02448	1.4
93.03452	1.0
94.45204	1.0
95.05035	5.4
97.02941	1.2
97.06591	64.1
99.00874	4.1
99.04520	2.8
99.08157	6.6
100.07697	2.7
102.05613	3.5
102.94363	1.0
103.00926	1.1
103.92042	1.4
107.04998	1.6
111.00861	8.0
112.98756	1.1
113.02415	1.5
114.09256	2.2
114.98033	1.7
115.04015	4.0
115.05555	4.9
115.07616	1.9
116.03511	1.4
116.07142	1.2
117.03455	21.1
123.08227	1.4
125.02473	1.7
125.06087	56.9
125.09710	3.0
126.06458	1.4
127.04002	4.0
127.04987	1.3
128.03531	3.8
129.96732	2.8
130.08733	3.7
137.16399	1.2
141.05534	1.8
142.08739	3.3
143.07143	100.0
143.11891	5.7
144.03036	1.4
144.04530	4.3
144.07497	2.8
144.10329	1.2
152.95970	1.5
154.94756	2.2
159.04480	1.4
161.02438	30.4
162.02739	1.1
169.05057	6.9
187.02496	2.1
187.04070	4.9
187.06100	36.6
187.07788	2.0
187.09554	2.4
187.11098	4.9
188.09319	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	185.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89797	1.1
53.30166	0.9
53.35891	1.1
54.19307	1.0
57.03453	1.4
59.01356	2.3
61.59420	1.1
61.76058	0.9
66.88603	1.2
69.49648	3.3
69.50064	3.4
71.05000	1.7
118.12636	1.0
126.97720	1.4
137.09744	1.5
139.11287	36.8
141.09233	2.5
141.12798	1.2
167.10788	1.6
170.16145	1.3
185.03403	1.4
185.11823	100.0
186.12138	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	185.1183
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
54.95093	1.1
59.01377	1.9
61.80239	1.1
69.03459	1.7
69.15289	8.7
69.15691	3.9
71.04991	1.5
80.27969	1.2
82.93288	1.4
83.05021	1.6
98.20707	1.7
113.06065	1.3
125.09708	1.3
137.04492	1.3
137.09703	1.8
139.10207	2.4
139.11295	40.2
140.11531	1.7
141.09225	4.8
141.12871	1.8
142.06667	1.7
147.69849	1.2
155.10677	1.6
167.10796	2.1
169.55493	1.2
185.03455	2.1
185.06215	2.1
185.11827	100.0
186.12193	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	183.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10772	0.5
57.39459	0.5
69.85950	2.0
75.19772	0.4
84.13272	0.4
104.78649	0.4
111.00850	1.3
124.01639	1.2
135.47823	0.5
136.98790	1.2
139.00348	1.4
140.01114	1.7
168.00661	1.6
183.02980	11.2
183.08144	1.3
183.13892	100.0
184.14253	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	183.1389
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
62.62284	0.4
62.75374	0.4
69.33855	3.0
71.87939	0.4
80.65018	0.4
111.00892	0.5
122.97381	0.4
124.01652	0.5
136.98766	0.6
140.01138	0.7
168.00632	1.0
178.33838	0.4
183.02986	5.1
183.13890	100.0
184.14236	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
61.45269	0.4
65.03963	1.1
67.01891	0.5
69.03439	0.5
69.21198	1.6
69.21626	2.3
79.05535	1.5
81.03456	0.8
91.05488	1.1
93.03457	1.4
103.05517	0.6
105.07092	1.0
107.04996	0.7
115.05551	1.6
117.07095	1.0
118.04256	0.4
128.06348	1.1
129.07109	3.7
131.05055	0.5
131.08673	3.4
133.06647	0.8
139.87326	0.5
141.07109	3.6
141.09270	0.4
141.24268	0.4
142.07899	0.5
143.05029	7.6
143.08670	8.3
144.05861	0.9
144.08890	0.4
145.06581	0.7
154.84895	0.4
155.08685	1.5
156.05798	2.7
157.06587	11.5
157.10234	3.5
158.03685	0.6
159.04523	0.7
159.08243	0.8
167.08653	2.2
168.05849	1.0
169.06601	5.2
170.03731	0.6
170.07382	23.5
171.04539	4.4
171.07771	1.0
181.06535	0.5
183.04628	1.0
183.08162	6.7
184.05289	1.8
184.08838	1.3
185.03424	1.3
185.06102	37.3
185.09708	100.0
186.06743	3.2
186.10037	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.9
59.01376	1.8
65.00325	1.0
65.95811	1.1
67.01878	1.1
68.99821	0.7
69.03448	0.6
71.01377	3.8
71.50055	1.1
71.52923	0.5
72.99310	1.3
74.35154	0.6
76.18600	0.6
79.49960	0.6
79.95752	0.6
80.98170	3.2
83.01386	2.5
83.05057	0.7
85.02953	1.0
87.00883	1.2
93.03384	0.6
95.01393	1.2
96.96021	1.2
97.02959	1.1
98.02485	1.0
99.00895	1.2
100.04045	1.5
101.02458	1.0
102.94391	2.9
103.04077	0.7
105.01939	0.7
108.85311	0.6
108.90203	10.0
110.00079	1.4
111.00881	8.7
111.02065	0.7
111.04517	0.8
112.04063	1.3
117.00448	1.7
121.06599	1.2
123.00885	1.9
123.04566	0.8
124.01665	5.8
124.04028	0.8
124.98776	0.7
125.02437	0.7
127.00394	4.3
136.98814	6.0
137.02325	0.8
138.98029	1.3
139.00381	8.1
139.04037	1.3
139.07652	1.0
139.11301	0.6
140.01152	14.4
140.07112	1.0
148.80742	0.5
149.21422	0.6
151.00212	0.6
152.01979	0.6
153.01950	0.7
154.99858	0.9
155.03484	0.7
157.03543	1.7
159.01534	1.3
165.01941	0.8
168.00644	16.6
169.00984	0.9
172.70323	0.7
182.97005	15.4
183.02982	100.0
183.10289	1.6
183.13924	3.4
184.00171	16.5
184.03320	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	183.0064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.9
59.01376	1.8
65.00325	1.0
65.95811	1.1
67.01878	1.1
68.99821	0.7
69.03448	0.6
71.01377	3.8
71.50055	1.1
71.52923	0.5
72.99310	1.3
74.35154	0.6
76.18600	0.6
79.49960	0.6
79.95752	0.6
80.98170	3.2
83.01386	2.5
83.05057	0.7
85.02953	1.0
87.00883	1.2
93.03384	0.6
95.01393	1.2
96.96021	1.2
97.02959	1.1
98.02485	1.0
99.00895	1.2
100.04045	1.5
101.02458	1.0
102.94391	2.9
103.04077	0.7
105.01939	0.7
108.85311	0.6
108.90203	10.0
110.00079	1.4
111.00881	8.7
111.02065	0.7
111.04517	0.8
112.04063	1.3
117.00448	1.7
121.06599	1.2
123.00885	1.9
123.04566	0.8
124.01665	5.8
124.04028	0.8
124.98776	0.7
125.02437	0.7
127.00394	4.3
136.98814	6.0
137.02325	0.8
138.98029	1.3
139.00381	8.1
139.04037	1.3
139.07652	1.0
139.11301	0.6
140.01152	14.4
140.07112	1.0
148.80742	0.5
149.21422	0.6
151.00212	0.6
152.01979	0.6
153.01950	0.7
154.99858	0.9
155.03484	0.7
157.03543	1.7
159.01534	1.3
165.01941	0.8
168.00644	16.6
169.00984	0.9
172.70323	0.7
182.97005	15.4
183.02982	100.0
183.10289	1.6
183.13924	3.4
184.00171	16.5
184.03320	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	181.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	10.6
59.01390	16.7
59.01637	3.7
65.00343	11.8
69.03443	4.1
71.01377	27.2
71.51649	3.8
73.02942	6.4
81.03475	2.6
83.01392	5.5
83.05023	4.0
85.02946	5.3
89.02425	15.5
93.03463	10.6
95.01378	2.8
95.05019	4.7
96.95988	2.9
97.02979	12.6
97.06602	2.6
101.02444	30.1
102.02660	2.1
107.08666	100.0
108.08984	2.8
109.02924	7.0
109.06642	2.7
111.04488	5.0
113.02508	2.5
115.03979	2.3
119.03476	6.3
119.05016	6.4
119.08672	27.0
123.00865	6.9
133.06596	5.4
135.04491	2.2
136.98759	3.9
137.02428	5.6
137.06044	3.0
137.09721	6.4
137.34035	2.4
151.00362	8.7
151.07657	16.0
153.01945	14.4
163.06213	4.3
163.07661	9.4
166.02756	18.3
181.01425	4.0
181.05060	13.3
181.07153	14.7
181.08707	20.5
181.12306	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	182.0458
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
59.01379	0.6
61.98829	7.6
65.00333	0.6
66.03478	0.3
67.01903	0.3
69.03468	0.4
71.01374	0.5
71.50289	0.3
71.94302	0.3
72.99299	0.4
79.95738	0.5
83.01385	0.3
83.05039	0.3
84.27537	0.2
86.01831	0.3
92.05060	4.9
93.03463	0.3
94.02972	1.4
95.01396	0.3
95.05044	0.8
95.93504	0.3
96.04557	0.6
96.96010	1.8
97.02928	0.4
108.04555	57.5
109.04869	1.6
110.00093	0.4
110.02483	0.6
110.06128	0.9
111.00880	2.5
111.04534	0.4
116.27890	0.3
117.00391	0.3
120.04558	6.0
120.05370	0.5
122.02512	1.4
122.06145	0.3
123.00858	1.6
123.03275	1.6
124.01673	1.3
127.00400	0.8
127.60323	0.3
136.04051	0.9
136.93979	0.2
136.98814	1.6
137.02512	0.3
138.05609	100.0
139.00380	2.5
139.05951	3.1
140.01166	3.9
152.03473	1.3
154.02284	0.4
154.05072	0.3
154.99837	0.3
166.99826	0.8
167.03134	0.3
168.00650	3.8
182.02034	0.9
182.04568	20.1
182.92947	1.2
183.02992	21.9
183.04799	0.7
184.88499	0.2
190.94499	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0871
Annotation	GSIR-1
Peak:m/z	Relative Intensity
57.03445	10.6
59.01390	16.7
59.01637	3.7
65.00343	11.8
69.03443	4.1
71.01377	27.2
71.51649	3.8
73.02942	6.4
81.03475	2.6
83.01392	5.5
83.05023	4.0
85.02946	5.3
89.02425	15.5
93.03463	10.6
95.01378	2.8
95.05019	4.7
96.95988	2.9
97.02979	12.6
97.06602	2.6
101.02444	30.1
102.02660	2.1
107.08666	100.0
108.08984	2.8
109.02924	7.0
109.06642	2.7
111.04488	5.0
113.02508	2.5
115.03979	2.3
119.03476	6.3
119.05016	6.4
119.08672	27.0
123.00865	6.9
133.06596	5.4
135.04491	2.2
136.98759	3.9
137.02428	5.6
137.06044	3.0
137.09721	6.4
137.34035	2.4
151.00362	8.7
151.07657	16.0
153.01945	14.4
163.06213	4.3
163.07661	9.4
166.02756	18.3
181.01425	4.0
181.05060	13.3
181.07153	14.7
181.08707	20.5
181.12306	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	181.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	10.6
59.01390	16.7
59.01637	3.7
65.00343	11.8
69.03443	4.1
71.01377	27.2
71.51649	3.8
73.02942	6.4
81.03475	2.6
83.01392	5.5
83.05023	4.0
85.02946	5.3
89.02425	15.5
93.03463	10.6
95.01378	2.8
95.05019	4.7
96.95988	2.9
97.02979	12.6
97.06602	2.6
101.02444	30.1
102.02660	2.1
107.08666	100.0
108.08984	2.8
109.02924	7.0
109.06642	2.7
111.04488	5.0
113.02508	2.5
115.03979	2.3
119.03476	6.3
119.05016	6.4
119.08672	27.0
123.00865	6.9
133.06596	5.4
135.04491	2.2
136.98759	3.9
137.02428	5.6
137.06044	3.0
137.09721	6.4
137.34035	2.4
151.00362	8.7
151.07657	16.0
153.01945	14.4
163.06213	4.3
163.07661	9.4
166.02756	18.3
181.01425	4.0
181.05060	13.3
181.07153	14.7
181.08707	20.5
181.12306	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	179.0712
Annotation	Pestalopyrone
Peak:m/z	Relative Intensity
55.01874	0.1
59.01384	0.9
60.61320	0.1
65.03965	0.1
69.03468	0.2
71.01382	1.4
72.99333	0.1
73.02949	0.5
83.01392	0.4
85.02953	1.1
87.00878	5.0
89.02453	0.4
95.01395	0.2
97.02951	0.5
99.00875	1.3
101.02459	0.5
107.05032	0.2
109.02918	0.2
113.02401	0.3
117.01958	0.9
117.03477	0.2
119.05020	0.5
121.02965	0.3
123.00826	0.2
125.02444	0.6
129.02003	0.1
135.04517	1.6
136.04845	3.2
137.02435	3.7
138.03183	0.3
141.01958	0.5
145.02975	0.6
146.03712	0.2
151.04028	0.2
152.50182	0.1
159.03032	0.3
161.04556	2.9
163.04007	5.2
164.04779	100.0
165.05125	3.4
177.04002	0.3
179.03795	0.2
179.05602	2.7
179.07137	7.2
180.07526	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0713
Annotation	Massariphenone
Peak:m/z	Relative Intensity
53.99270	0.4
55.01877	0.6
57.03450	0.5
58.00599	0.5
59.01373	4.8
63.02381	0.6
63.37597	0.3
65.00299	0.5
68.99803	0.5
69.03433	1.9
71.01381	8.6
71.05031	0.5
71.52670	0.5
73.02943	2.5
79.01877	0.4
79.05523	0.4
81.03452	0.9
83.01386	2.2
85.02953	5.5
87.00877	27.0
88.01237	0.4
89.02429	2.4
90.64108	0.4
91.05534	4.5
95.01392	0.8
95.05029	2.4
97.02943	2.7
99.00883	7.8
101.02448	2.7
106.04218	0.8
107.05029	42.7
108.02185	2.6
108.05360	1.4
113.02438	1.4
113.06062	0.6
117.01949	5.0
119.05048	0.5
121.02937	0.6
123.04522	10.4
125.02447	3.3
127.07684	0.5
129.01915	0.4
131.05029	8.0
132.05309	0.5
133.06621	1.3
134.03746	1.9
135.04530	9.9
135.08130	0.7
136.05287	0.6
137.06059	1.1
141.01945	3.0
146.03712	1.3
149.06084	14.5
150.06482	0.6
151.00368	0.9
151.03976	0.4
159.02946	1.2
159.04501	2.0
161.04561	13.8
161.06061	3.6
164.01135	0.6
164.04787	2.8
177.05565	100.0
178.05916	4.1
178.99940	0.9
179.03671	1.5
179.05609	15.6
179.07132	53.7
180.05945	0.4
180.07454	1.9
182.13129	0.5
188.90335	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50111	0.1
59.01400	0.3
69.39873	0.7
69.40276	0.2
71.01403	0.2
73.02959	0.1
83.26258	0.1
85.02983	0.2
85.69839	0.1
87.00881	0.9
87.01301	0.1
99.00899	0.2
101.02452	0.1
107.05114	0.1
109.02991	0.2
113.33579	0.1
117.01960	0.2
117.03488	0.3
119.05051	0.5
123.00860	0.1
125.02468	0.2
130.91687	0.1
133.03033	0.1
135.04495	0.5
137.02452	3.5
137.30869	0.1
138.03218	0.3
144.71571	0.1
145.02908	0.5
159.03029	0.1
161.04572	0.4
163.04024	4.3
164.04794	100.0
164.98470	0.1
165.05104	3.7
179.05659	0.6
179.07127	6.6
180.07457	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0562
Annotation	Scyllo-inositol
Peak:m/z	Relative Intensity
55.01867	2.5
57.03450	2.0
59.01100	2.7
59.01378	24.0
64.61943	1.6
69.03461	4.5
70.14099	4.8
70.14486	4.0
71.01382	27.6
72.99307	5.0
73.02953	10.4
75.00901	8.3
82.47665	1.7
83.01379	6.1
85.02944	20.8
87.00876	100.0
89.02454	7.5
95.01376	3.0
97.02949	11.3
98.19933	2.1
99.00874	22.3
101.02469	10.8
104.03538	3.6
105.01940	38.9
113.02460	4.2
117.01937	16.7
125.02440	16.7
129.01877	2.6
141.01917	8.7
159.03004	4.0
161.04549	55.4
177.03996	1.8
179.05603	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43784	0.1
56.98019	0.4
59.01384	1.1
69.03452	0.2
69.56913	0.7
71.01379	1.2
73.02952	0.4
77.31897	0.1
83.01389	0.4
85.02953	1.0
87.00878	4.9
89.02438	0.3
97.02973	0.4
99.00878	1.3
101.02457	0.6
107.01424	0.1
107.05056	0.2
109.02924	0.2
113.02451	0.4
117.01939	0.8
117.03425	0.3
119.05020	0.5
121.02946	0.2
123.04490	0.2
125.02435	0.7
133.02960	0.5
135.04555	1.0
137.02443	3.7
138.03191	0.2
141.01952	0.4
145.02942	0.6
146.03716	0.4
149.02440	0.1
151.04025	0.2
151.11403	0.1
161.04556	2.2
163.04016	4.2
164.04791	100.0
165.05122	4.0
177.03993	0.1
179.01819	0.2
179.05595	2.8
179.07137	6.8
179.92416	0.1
180.07455	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0714
Annotation	2,7-Dihydroxy-3-isopropyl-2,4,6-cycloheptatrienone
Peak:m/z	Relative Intensity
55.01872	1.3
56.98032	1.1
57.03425	1.0
59.01379	9.2
63.02404	0.4
67.01900	0.5
67.87856	0.4
69.03447	2.4
69.35772	2.9
71.01385	12.7
73.02945	5.0
73.55700	0.4
75.00877	0.8
76.83707	0.4
77.67396	0.4
79.01901	0.5
81.03459	0.8
83.01396	2.7
83.21083	0.3
85.02956	8.9
87.00877	40.4
87.68669	0.4
88.01218	0.7
89.02446	3.2
95.01401	1.5
96.76668	0.4
97.02943	3.7
99.00883	10.0
101.02437	4.4
107.01379	1.0
107.05001	0.6
108.02174	1.2
111.00861	0.5
113.02444	2.4
114.95945	0.5
117.01947	7.1
121.02963	1.1
123.00890	0.5
123.04519	2.5
125.02441	5.1
129.01915	1.0
131.03528	0.4
133.02930	1.0
135.02756	2.2
135.04495	2.3
136.05310	10.0
141.01933	3.1
146.03720	1.7
147.02928	0.6
151.00378	0.8
151.04010	3.8
156.85077	0.5
159.02983	1.4
161.04552	19.9
162.04852	0.4
164.04793	100.0
165.05128	4.2
177.04034	0.9
178.99840	1.1
179.01985	0.8
179.03528	2.6
179.05609	23.8
179.07150	13.9
179.10732	1.2
179.92386	1.2
180.04274	0.6
180.06120	0.4
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	Aspirin
Peak:m/z	Relative Intensity
55.01871	0.4
57.03449	2.4
59.01381	4.6
69.03452	1.1
71.01382	5.7
71.51878	0.3
72.99320	0.3
73.02940	2.0
75.00864	0.4
81.03448	0.4
83.01390	1.5
85.02952	4.0
85.10430	0.2
87.00874	19.5
88.01243	0.2
89.02425	1.6
91.05513	0.5
92.02686	0.8
93.03458	24.2
94.03805	0.8
95.01377	1.8
97.02976	1.8
99.00875	4.7
101.02430	2.6
107.01411	0.4
107.05008	0.3
108.02175	7.8
109.02987	0.4
109.06570	2.2
113.02460	0.9
117.01934	3.5
120.02157	0.5
121.02931	1.5
122.03701	0.4
123.00859	0.5
125.02440	2.7
128.76668	0.2
129.01939	0.5
133.03012	0.2
135.04523	100.0
136.04849	3.4
136.07594	0.3
141.01941	1.6
141.79866	0.2
142.82095	0.2
146.03761	2.2
149.06105	0.2
150.03336	0.2
151.00369	0.6
151.03923	0.5
159.03018	1.0
161.04552	9.0
161.05876	0.3
164.01181	0.6
164.03584	0.3
164.04785	1.7
177.04039	0.5
178.09914	0.4
178.81531	0.3
178.99989	0.6
179.03497	30.9
179.05598	10.5
179.07109	1.8
179.10713	1.3
180.03922	1.0
180.06064	0.2
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
55.03100	0.3
59.01382	0.6
66.22573	0.3
71.01388	0.6
71.35117	0.3
77.03971	1.6
81.03445	2.2
81.15383	0.3
85.02948	0.5
87.00868	0.6
89.03970	10.4
93.03463	2.2
95.05029	1.5
99.00873	0.4
104.70673	0.3
105.03463	14.8
106.03815	0.6
107.01408	1.4
109.02962	0.7
121.02944	1.8
123.04514	0.8
129.01941	0.5
132.02158	0.6
133.02960	32.5
134.03328	1.5
135.04524	1.4
139.04033	0.4
149.02435	5.0
161.57277	0.3
162.03220	3.8
176.81465	0.3
177.01926	100.0
178.02293	3.7
178.05342	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0193
Annotation	6,7-Dihydroxycoumarin 
Peak:m/z	Relative Intensity
54.01817	0.2
59.01366	0.6
60.19652	0.2
67.67393	0.2
69.25501	2.3
71.01386	0.8
74.17770	0.3
77.03962	1.3
81.03468	2.4
87.00864	0.3
89.03969	9.6
90.98401	0.2
93.03465	1.9
95.05042	1.2
99.00904	0.3
105.03465	15.2
105.92386	0.2
106.03806	0.6
107.01410	0.9
107.05058	0.3
109.02982	0.6
115.00384	0.3
119.05064	0.5
121.02957	1.8
123.04543	0.3
133.02959	31.2
133.06583	1.6
134.03346	0.9
135.00919	0.3
135.04549	0.3
139.04039	0.6
147.04524	0.4
149.02431	4.4
149.06108	0.4
150.02658	0.2
161.02446	0.6
162.03224	9.4
162.06866	0.3
163.03563	0.5
177.01927	100.0
178.02292	3.3
189.39960	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70085	0.1
53.04353	0.1
55.01868	0.2
56.17262	0.1
59.01389	0.3
60.63955	0.1
65.00326	0.3
65.03963	1.7
66.01129	0.2
67.01900	0.4
71.01398	0.3
79.05552	0.3
82.36446	0.1
83.01367	0.2
85.02956	0.2
87.00877	1.3
99.00861	0.3
101.02440	0.2
107.05030	4.8
108.05353	0.1
109.02941	1.5
117.01946	0.3
122.01377	0.1
135.04530	75.6
136.04868	2.4
149.06090	0.5
161.04591	0.4
163.04012	100.0
164.04350	3.7
177.05626	0.4
178.06375	2.6
179.05591	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31069	0.2
53.37860	0.2
55.97551	0.2
56.22327	0.2
59.01376	0.5
61.74115	0.2
61.98833	1.6
69.50855	1.5
71.01389	0.5
79.95766	0.4
85.02940	0.4
87.00874	1.4
98.20686	0.2
99.00859	0.3
119.93752	0.8
125.02444	0.2
134.96085	55.2
135.96149	3.0
136.94005	100.0
137.94073	5.1
151.92712	17.5
152.92822	1.2
154.95061	0.3
161.04527	1.0
165.56354	0.2
178.95058	61.8
179.05608	0.7
179.95184	4.0
196.96043	0.4
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
54.55585	0.2
55.01874	0.3
57.03437	0.6
59.01375	3.0
63.02400	0.3
63.70135	0.2
68.99821	0.2
69.03451	0.7
69.57226	1.1
71.01381	4.2
72.01682	0.2
72.99299	0.3
73.02950	1.6
75.00865	0.3
78.82124	0.2
79.01862	0.3
81.03453	0.3
83.01397	1.2
85.02956	3.6
87.00876	15.9
88.01224	0.3
89.02448	1.1
89.03963	0.5
91.05524	0.8
93.03469	0.3
95.01365	0.3
95.05013	0.2
97.02953	1.6
99.00871	4.2
99.35537	0.2
101.02444	1.5
105.01941	0.2
106.04273	0.3
107.01366	0.5
107.05026	2.3
108.02207	0.3
109.02970	0.3
113.02424	0.9
117.01938	2.8
117.03461	0.6
121.02974	0.5
125.02427	2.3
129.01932	0.2
133.02942	0.2
134.03740	6.2
135.04523	100.0
136.03885	0.3
136.04840	3.4
136.07640	0.8
137.02469	0.3
141.01949	1.3
146.03731	5.2
146.04890	0.3
151.00363	0.5
151.04034	0.3
159.02959	0.8
161.04559	8.8
161.06058	1.2
162.05627	0.3
164.01237	0.4
164.04826	1.3
177.04002	0.3
178.81483	0.2
179.00166	0.3
179.03502	14.1
179.05603	8.4
179.06996	0.6
179.10732	0.2
180.03915	0.4
180.06059	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87769	0.3
54.09798	0.2
67.53683	0.2
69.78796	1.5
88.19275	0.2
98.20615	0.5
117.07108	0.5
131.05061	0.3
133.02960	0.3
133.06610	0.6
139.57957	0.3
143.05045	0.9
145.02945	0.6
146.03735	2.0
148.05344	0.6
159.04546	1.4
160.05298	3.6
161.06081	62.2
162.03212	0.6
162.06418	2.8
176.08424	100.0
177.08745	4.0
182.65749	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73055	0.3
59.12116	0.2
70.34267	0.9
70.34604	0.3
87.00876	0.2
95.13795	0.2
117.07085	0.6
121.02926	0.2
133.06612	0.7
135.04459	0.2
143.05025	1.0
145.02979	0.3
145.57558	0.2
146.03734	1.7
148.05342	0.4
154.54567	0.2
159.04514	1.7
160.05290	3.1
161.06081	65.0
162.03220	0.8
162.06378	2.5
176.08424	100.0
177.08759	4.3
198.36444	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.6
59.01378	91.6
60.01697	0.8
67.01896	8.7
69.03431	2.8
70.00897	3.3
71.01371	3.3
73.02924	1.1
73.13839	0.8
81.95315	10.3
81.96133	1.3
83.01403	0.7
83.05010	1.6
85.02957	1.1
85.06100	1.6
85.06592	23.5
93.03458	40.2
94.03773	1.0
95.76802	0.8
98.19946	0.9
99.00858	1.3
107.79887	0.8
111.00857	2.8
111.04531	4.4
111.08177	7.8
113.06093	11.2
129.09192	1.1
131.07141	100.0
132.07466	2.6
132.71251	0.8
137.02451	1.0
154.99796	1.2
172.34381	1.1
173.00742	2.8
173.02167	0.9
173.04497	6.8
173.05963	1.2
173.08130	3.8
173.09532	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	1.2
59.01379	17.9
59.07474	0.6
61.98836	0.7
68.99825	0.9
70.38362	2.0
71.01385	6.1
72.99306	3.1
73.02967	2.4
75.00858	0.8
83.05010	0.6
85.02969	2.4
85.06588	13.5
87.00863	6.5
92.95983	3.0
96.99316	0.8
99.08159	2.5
100.98822	3.4
101.02455	1.4
102.96230	1.3
102.98074	0.8
104.54562	0.6
113.06087	13.8
115.00382	5.0
115.04014	31.4
116.04382	1.0
117.01943	2.7
124.98820	3.5
127.97521	4.2
128.95976	1.0
129.02008	0.7
129.05591	1.9
129.09195	4.9
130.97554	5.5
131.05072	0.6
131.07138	2.9
132.98192	1.7
132.99130	0.8
134.02452	0.7
142.99844	1.0
146.97057	14.5
147.04529	1.7
148.98611	100.0
149.98714	6.6
157.05031	2.9
174.82831	52.7
174.88942	2.1
174.96533	21.6
175.02580	1.1
175.03975	2.4
175.06128	19.7
175.07480	0.7
175.09720	6.7
175.82784	1.7
175.96680	1.5
176.03531	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	175.0612
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
57.03447	1.6
59.01376	4.7
64.42248	0.4
65.27175	0.5
69.47594	0.5
69.97670	1.1
69.98059	1.5
71.01392	1.0
81.62727	0.6
85.06589	42.1
86.06930	1.2
87.00884	1.2
87.04524	2.4
93.03411	0.7
99.08188	0.7
113.06091	39.7
114.06406	1.3
115.04012	100.0
116.04369	3.0
123.41107	0.5
129.05598	1.2
129.09196	2.9
131.07141	6.7
135.04544	0.9
157.05075	7.7
163.82607	0.6
174.89001	1.0
175.06113	40.0
175.09685	5.3
176.06500	1.0
179.74661	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0975
Annotation	Metaldehyde
Peak:m/z	Relative Intensity
56.40152	0.4
56.69444	0.4
57.03447	1.0
59.01377	1.7
59.02426	0.4
68.99814	0.6
71.01375	1.1
71.05036	0.9
71.50910	0.3
71.51353	0.6
72.00902	0.6
72.99304	1.0
75.02403	0.6
85.02940	0.8
85.06585	0.6
87.00897	1.4
87.02386	0.7
87.04469	0.6
90.03487	0.8
91.05517	0.4
93.03450	1.3
95.05052	0.4
97.06586	2.2
99.08160	28.8
100.08495	0.7
101.09746	0.5
105.03464	5.0
109.06580	3.2
111.08161	4.5
113.06126	0.6
115.00394	0.8
115.03981	0.8
119.05021	0.6
124.01619	0.4
127.07645	3.1
129.09219	76.4
130.09543	3.0
131.01448	0.8
131.05046	0.8
132.02177	1.0
134.02496	2.8
135.04526	0.7
146.03770	0.6
147.04510	0.9
147.06453	0.5
157.08679	1.7
160.01678	1.9
173.08192	1.5
174.88974	4.0
175.03986	3.4
175.09753	100.0
176.03511	11.7
176.07048	0.6
176.08554	0.6
176.10107	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0818
Annotation	Dimethoxane
Peak:m/z	Relative Intensity
56.01841	0.8
57.03436	2.9
59.01380	100.0
60.99290	2.4
67.01890	17.9
67.27044	0.9
69.03458	4.4
71.01388	5.4
71.52029	1.1
72.99286	1.5
73.02945	4.4
81.03443	2.1
81.95322	5.4
83.05014	3.4
85.02941	2.6
85.06593	24.2
93.03459	66.3
94.03767	1.8
99.00846	2.5
111.00867	7.7
111.04519	10.2
111.08160	7.2
111.29485	0.7
112.08434	0.9
113.06090	11.4
114.01926	2.6
129.01901	0.9
129.09219	1.2
130.08736	2.0
131.07143	87.3
131.09082	7.5
132.07466	1.9
135.43285	0.9
137.02423	2.1
145.02896	1.0
145.06575	1.4
154.99875	2.0
155.03560	1.1
157.06599	6.8
158.03725	1.7
159.04446	1.2
160.39856	0.8
164.78816	0.8
171.08080	2.3
172.83078	2.2
173.00841	1.9
173.02396	2.5
173.04523	9.1
173.06055	7.4
173.08205	3.6
173.09692	31.9
173.11333	1.6
174.10086	1.4
194.93475	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.009
Annotation	trans-Aconitate
Peak:m/z	Relative Intensity
53.00313	1.5
55.01875	6.3
57.03455	5.6
58.02976	5.0
59.01373	9.9
59.03301	1.0
60.99278	0.8
67.01891	12.3
68.99821	5.4
69.01648	0.7
69.03445	2.3
69.93473	3.2
71.01382	100.0
72.01732	1.5
72.99311	10.0
73.02944	11.4
74.02489	1.0
75.00904	1.3
75.69135	0.7
80.99823	1.8
81.03450	3.6
83.01385	9.9
83.05025	6.4
85.02952	34.7
85.06570	1.2
85.82317	0.6
86.03291	1.0
86.06098	2.2
87.00875	3.7
88.04043	0.9
93.03460	46.7
94.03790	1.8
96.99316	4.2
97.02956	1.3
98.19907	0.7
99.00880	36.3
99.04517	3.8
100.01254	0.6
100.07681	3.5
101.02470	1.7
101.08013	1.4
109.02947	1.8
111.00883	50.0
111.04525	18.2
111.08167	1.0
112.01258	1.4
112.04879	0.7
112.98808	10.5
113.02454	1.2
115.00379	7.2
124.98817	27.5
127.04024	1.6
127.07641	0.9
128.07196	4.6
129.01955	7.4
129.05574	2.6
129.10316	1.1
131.08250	3.9
132.06638	1.0
137.02449	3.8
140.98334	0.9
142.99867	49.9
146.73938	0.7
146.97090	1.9
149.58513	0.7
154.94725	2.0
154.99818	1.8
155.03497	8.4
164.50206	0.7
170.79549	0.6
172.83064	1.7
173.00928	11.5
173.02528	1.2
173.02948	1.6
173.04549	26.9
173.08028	1.5
173.09381	3.0
174.04800	0.7
174.07687	4.1
183.69621	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0455
Annotation	2-Methyl-3-oxoadipate
Peak:m/z	Relative Intensity
50.24267	0.5
55.01867	1.6
57.03448	9.3
58.02967	1.3
58.96948	0.5
59.01111	1.0
59.01382	12.3
59.59744	0.6
60.48700	0.6
60.87020	0.6
60.99305	0.9
63.66679	0.5
64.09908	0.5
65.03970	0.8
67.01889	15.9
67.05524	5.1
68.99834	1.2
69.03453	6.9
70.84567	1.4
71.01381	17.1
71.05044	0.8
72.99309	18.4
73.02940	4.4
81.03472	1.5
83.01386	3.0
83.05029	7.4
85.02956	13.4
85.03465	0.8
85.06592	20.6
86.06098	1.0
87.00887	1.8
93.03464	27.5
93.62356	0.6
96.99306	3.8
99.00896	6.1
99.04520	5.6
101.02459	0.6
101.06083	1.0
101.08077	0.7
103.92059	1.1
109.06638	3.1
111.00887	100.0
111.04523	46.6
111.08166	0.9
112.01212	2.3
112.04861	1.5
112.98822	3.9
113.02451	1.6
115.00375	1.1
123.41985	0.6
124.98825	3.5
127.07655	2.4
128.07182	1.1
129.01947	2.7
129.05589	18.4
130.05090	0.7
131.08263	1.6
137.02423	3.3
138.67523	0.5
139.64839	0.6
142.99855	6.7
154.94780	1.3
154.99870	0.8
155.03511	23.7
171.70929	0.6
173.00891	2.2
173.04570	15.0
173.06044	1.1
173.08177	6.4
173.09525	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.098
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
52.20544	0.2
58.02972	1.6
59.01393	1.4
67.01885	1.3
69.03433	0.2
70.32706	0.8
71.01360	0.4
73.02949	0.4
82.06609	0.5
84.08180	0.3
85.06596	0.4
93.03464	4.4
99.70989	0.2
101.18545	0.2
111.00923	0.5
111.04506	0.5
111.08183	0.4
112.04090	0.3
128.10803	2.8
130.08745	100.0
131.07115	0.9
131.09082	2.6
144.04524	0.3
162.46738	0.2
164.03484	0.3
169.61166	0.2
172.03995	0.4
172.09796	11.4
172.82968	0.5
173.04558	0.5
173.08208	0.4
173.10086	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	trans-Aconitate
Peak:m/z	Relative Intensity
53.00302	1.7
55.01874	6.8
57.03451	10.4
58.02969	1.2
59.01110	1.3
59.01382	18.8
67.01889	17.3
67.05528	6.5
68.99802	4.0
69.03452	8.0
71.01382	100.0
71.05028	1.1
71.32839	1.5
72.01707	1.2
72.99308	22.0
73.02951	7.2
78.49295	0.9
80.99815	1.4
83.01379	8.2
83.05026	8.0
85.02954	12.4
85.06593	26.3
86.06911	1.2
87.00865	3.7
93.03460	25.1
96.99310	9.6
97.99663	1.0
99.00883	34.8
99.04527	7.0
100.07721	0.9
101.02449	1.4
101.06067	1.3
101.86342	1.0
107.17234	0.9
109.06573	3.2
111.00887	95.5
111.04523	56.7
111.08152	1.6
112.01206	1.5
112.04793	1.6
112.98817	13.1
113.02438	2.0
114.01955	1.9
115.00372	2.9
124.98821	30.1
127.07669	2.3
129.01933	4.1
129.05591	23.3
131.08232	1.4
137.02444	4.2
142.99866	50.2
154.94762	1.2
154.99867	1.4
155.03508	24.8
157.81207	0.9
173.00909	9.9
173.03142	1.3
173.04558	14.4
173.08107	8.1
173.09271	1.4
174.07791	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.098
Annotation	N-Acetyl-L-isoleucine
Peak:m/z	Relative Intensity
55.01892	1.3
57.03461	1.4
58.02975	3.0
58.03209	0.3
59.01381	5.7
60.04556	0.4
67.01894	2.8
68.05071	0.3
68.99829	0.6
69.03453	0.3
70.02995	1.3
70.78473	0.7
71.01382	16.8
72.99313	1.6
73.02959	1.9
74.02492	0.6
75.00882	0.3
80.05063	0.3
82.06639	0.6
83.01420	1.1
83.05043	0.6
83.06151	0.4
84.04561	0.6
85.02969	2.3
85.06590	1.6
86.02485	0.3
86.06135	1.1
87.00906	0.4
88.04076	0.8
93.03452	6.4
96.96002	0.3
96.99336	1.0
98.94263	0.3
99.00878	6.5
99.04536	0.4
100.04066	1.3
100.07719	1.1
110.03305	0.3
111.00879	10.4
111.04504	2.0
112.04041	0.4
112.98129	0.5
112.98799	2.6
113.06101	0.5
115.00414	0.7
124.98812	4.1
126.99103	0.5
128.07182	1.3
128.10829	3.6
129.01945	0.6
129.05574	0.5
130.08739	100.0
131.07153	5.3
131.08218	0.5
131.09087	2.5
137.02415	0.7
137.36343	0.3
142.99866	6.8
143.88885	0.3
145.03055	0.3
154.94777	0.3
155.03499	0.8
172.02475	2.7
172.06174	1.2
172.09779	11.2
173.00980	1.9
173.04520	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	172.098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02985	1.2
59.01382	1.1
65.46163	0.2
67.01897	0.4
69.41204	2.0
69.48411	0.2
82.06640	0.5
93.03452	1.8
111.04513	0.3
111.08165	0.3
111.67752	0.2
128.10831	2.5
130.08737	100.0
131.07118	0.6
131.09088	2.6
147.27190	0.3
154.08580	0.3
172.09785	11.4
173.04549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0814
Annotation	Palutropone
Peak:m/z	Relative Intensity
52.77562	0.3
55.01849	0.3
68.99812	1.3
69.46839	2.2
69.47231	0.5
71.01403	0.4
78.95903	1.7
82.41995	0.3
83.01363	0.3
89.03974	0.5
91.05524	0.6
98.19838	0.4
99.00884	4.2
99.92587	1.3
115.05532	1.2
117.07127	0.7
119.04957	0.5
125.09745	0.5
127.07661	3.1
127.11289	0.4
128.06323	2.4
129.07123	3.0
130.04216	0.8
130.08623	0.4
134.86682	0.3
141.07083	1.0
141.09216	0.3
143.05017	4.7
143.08664	8.5
144.05814	0.7
144.09018	0.4
145.06580	0.4
152.98402	0.5
155.08638	0.4
156.05798	31.9
157.06195	1.6
159.67619	0.3
169.06580	3.9
170.07375	6.3
170.83302	1.7
171.02002	1.1
171.04532	14.3
171.08151	100.0
171.10223	5.4
171.13902	1.4
171.91096	0.4
172.05270	1.9
172.08510	5.3
185.06041	0.5
188.04848	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1027
Annotation	CHEBI:68949
Peak:m/z	Relative Intensity
55.01867	0.5
55.76041	0.5
57.03421	0.6
57.85550	0.4
59.01381	0.7
60.45125	0.5
62.44355	0.5
65.00325	1.3
68.99812	1.3
70.97752	0.5
71.52384	0.9
71.52743	0.5
71.83423	0.5
78.05419	0.6
85.49694	0.4
97.06582	0.6
99.00887	6.3
99.08162	0.8
99.92599	1.5
111.00928	0.5
123.08102	0.7
125.09750	4.2
127.07669	4.0
127.11297	6.6
143.08643	0.8
152.98294	0.5
153.09207	2.8
156.05803	2.1
162.13017	0.5
170.07288	0.7
170.83279	0.5
170.99425	0.5
171.01984	2.5
171.04529	1.4
171.08174	14.8
171.10271	100.0
171.13789	2.9
172.08406	0.7
172.10643	3.8
183.35678	0.7
184.73474	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0666
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
56.10240	0.6
62.07036	0.8
66.03500	0.6
71.50222	1.0
78.95901	1.1
92.05064	2.3
96.96008	1.9
107.03783	5.3
108.04557	25.1
110.05409	0.6
110.06109	3.9
120.04554	2.0
121.05341	13.3
122.02476	2.7
122.06123	71.6
123.03281	1.0
123.06458	1.9
125.00950	6.0
125.03603	0.6
125.99552	0.8
126.90372	0.7
126.98887	7.4
135.03281	5.7
136.04047	1.0
136.47162	0.6
138.05612	26.2
141.97580	1.8
148.04057	2.3
150.05605	100.0
151.05913	3.2
151.98668	0.6
153.04303	2.6
166.05090	26.1
167.05470	1.5
168.06662	19.7
168.83652	1.1
168.91447	0.7
168.99934	2.4
169.01591	0.7
174.40121	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57603	0.3
50.60178	0.3
58.02976	100.0
59.02689	0.2
59.03299	0.6
61.98824	0.4
65.00335	0.4
66.03493	0.3
69.03445	0.6
70.02989	0.7
71.52476	0.4
73.04919	0.3
97.02978	0.4
122.89462	0.8
123.04523	0.3
125.02454	7.6
125.99624	0.3
132.86829	1.2
153.01549	0.3
166.09129	0.3
168.13925	7.5
168.83644	0.9
168.99002	1.0
169.01407	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	169.1234
Annotation	6-exo-hydroxycineole
Peak:m/z	Relative Intensity
59.01361	1.1
64.79989	1.2
65.00311	3.0
68.99831	2.5
69.03444	3.2
69.90402	6.8
80.99834	1.4
96.99283	1.4
97.02947	6.1
102.50114	1.3
110.75446	1.3
122.89423	6.8
125.02447	49.2
125.09716	4.2
125.99599	3.7
126.02771	2.9
132.50304	1.4
134.86501	2.9
139.00314	1.6
153.99129	2.0
168.83641	3.6
168.98915	4.6
169.01410	17.0
169.05118	2.2
169.06454	1.9
169.12335	100.0
170.12711	3.4
185.06174	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0814
Annotation	Palutropone
Peak:m/z	Relative Intensity
55.81870	0.5
59.01370	0.5
61.98861	0.5
65.00308	0.5
68.99803	1.3
69.14965	4.6
71.01363	0.6
78.95915	0.7
83.01395	0.6
85.02931	0.5
98.20691	0.9
99.00870	5.0
99.92576	4.6
103.05531	0.6
115.05533	1.7
119.05070	0.7
124.89130	1.1
127.07635	3.7
127.11240	0.7
128.06323	2.2
129.07112	3.1
130.04234	0.5
136.86311	0.7
141.01981	0.4
141.07135	1.1
143.05026	5.4
143.08659	7.6
144.04597	0.8
145.06610	0.8
156.05806	27.3
157.06184	1.5
157.09731	0.6
169.06601	4.8
170.07356	4.8
170.83347	6.0
171.02003	2.1
171.04518	18.8
171.08151	100.0
171.10234	6.7
171.13895	4.8
171.91045	1.1
172.05191	2.4
172.08475	5.6
188.04672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.035
Annotation	DHMAL
Peak:m/z	Relative Intensity
57.03442	0.6
65.00309	0.5
66.94370	0.4
67.01889	0.8
69.03441	1.3
69.84767	1.0
69.85175	1.4
71.01406	0.7
78.95882	0.5
79.05548	0.5
80.02680	2.1
81.03448	0.8
83.05016	0.9
84.02173	1.1
85.02931	2.0
91.01895	1.3
93.03467	0.7
95.01383	2.6
95.05020	1.7
97.02951	1.8
97.06604	2.9
98.03744	1.2
98.20598	0.8
98.56471	0.4
101.10358	0.4
105.07115	0.9
106.04249	0.5
107.05031	0.8
108.02174	59.9
109.02509	1.7
109.06572	2.4
110.03745	1.5
111.00899	0.8
111.08164	7.2
112.01661	3.6
121.02935	0.8
121.06596	3.9
123.00886	2.0
123.04530	18.5
123.08162	2.0
124.01675	4.5
124.05293	0.5
125.02428	0.6
132.86787	1.3
134.03741	0.8
137.02469	0.7
137.06076	0.7
138.03230	0.6
139.04037	0.7
139.07652	16.7
149.02441	0.6
149.06076	10.9
152.01149	100.0
153.01465	3.6
167.03488	16.5
167.07127	10.3
168.03906	0.6
187.13353	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.035
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
65.16663	0.3
67.01887	1.9
68.99812	0.7
69.14234	0.7
69.14647	2.6
71.01389	0.7
78.67213	0.3
83.01386	2.3
84.99312	0.4
90.77069	0.3
95.01394	4.6
107.01363	1.6
108.02176	9.0
111.00891	13.1
113.81085	0.3
123.00894	5.9
123.04509	1.5
123.08236	0.4
124.01681	11.1
135.00885	1.2
136.98801	0.7
139.00372	3.2
141.90497	0.3
150.77023	0.3
152.01158	34.5
153.01492	0.9
154.51137	0.3
164.28052	0.4
167.03499	100.0
168.03850	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	167.0714
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
55.01856	1.8
57.03442	1.8
59.01347	1.5
65.00307	1.7
66.81470	1.2
67.01888	5.0
68.99805	2.2
69.03461	9.2
71.01377	3.8
71.38927	1.7
78.95905	2.9
79.05520	3.8
80.02685	2.8
81.03450	2.4
83.01380	1.7
83.05025	4.9
84.02169	5.6
85.02947	9.2
91.01897	1.5
93.03464	2.8
93.07098	1.3
95.01395	9.3
95.05003	8.1
97.02962	10.4
97.06588	18.9
98.03731	11.0
105.07084	7.8
106.04258	2.1
107.05036	1.5
108.02174	32.7
109.02998	1.9
109.06580	15.2
110.03726	9.1
111.00885	4.5
111.04516	3.5
111.08158	44.0
112.01660	19.4
119.05022	1.8
121.02945	3.5
121.06590	22.1
122.05978	1.3
123.00885	5.0
123.04516	26.7
123.08167	11.2
124.01654	25.3
124.05321	4.7
125.02475	2.7
131.05037	2.5
132.86798	6.2
134.03746	5.6
137.02396	1.8
137.06081	3.8
138.03239	2.3
139.07651	100.0
140.08034	2.8
149.02403	2.7
149.06078	58.9
150.06479	2.5
152.01155	49.6
152.04791	2.7
153.01550	2.6
167.03511	17.3
167.07137	58.9
169.01413	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1077
Annotation	(1alpha,4alpha,7R*)-5-methyl-7-(1-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
Peak:m/z	Relative Intensity
59.98522	12.8
61.68924	2.4
69.17560	26.2
71.01380	2.6
80.28955	2.6
95.01364	8.1
98.20632	4.4
99.04520	11.9
108.02175	17.9
112.96690	2.3
123.00871	6.5
123.04506	15.7
125.02493	4.0
132.19350	2.3
132.86786	5.3
139.04057	2.9
152.01161	28.4
167.03496	19.4
167.04854	4.0
167.08600	5.8
167.10768	100.0
168.11084	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	165.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.8
59.01378	1.9
61.98822	3.1
65.00327	2.2
65.99848	1.3
66.03480	0.7
67.01892	0.9
69.03454	1.8
71.01391	2.2
71.05036	1.1
71.52932	1.0
75.00897	1.0
77.03982	5.1
80.02679	1.5
81.03452	5.4
83.05019	9.8
83.35715	0.6
85.02925	0.9
87.00904	1.0
89.02447	0.9
92.99807	4.9
93.03444	6.8
93.99305	0.7
94.03002	1.0
95.01404	1.0
95.05032	7.6
97.06589	12.5
103.39568	0.7
105.01935	0.9
107.05059	1.3
108.02190	1.3
108.04546	1.1
109.02944	1.5
109.06586	2.8
111.08160	16.4
111.08896	1.1
119.05006	1.1
121.02958	100.0
121.06612	2.1
122.02477	1.4
122.03313	5.6
122.06104	1.0
123.00893	0.9
123.04517	1.6
123.08188	0.9
135.04601	1.0
136.98886	0.8
137.02469	5.0
137.06053	1.6
137.09727	1.2
138.05621	0.9
147.04507	1.8
147.11795	1.0
149.00970	3.3
150.03242	3.9
163.11305	5.3
164.83592	4.4
164.89482	4.2
165.01935	10.3
165.04170	1.2
165.05545	6.8
165.07785	0.8
165.09183	1.9
165.12836	31.6
166.02533	0.9
166.05124	2.6
166.13174	1.7
182.44606	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.051
Annotation	Pyridoxal
Peak:m/z	Relative Intensity
54.24114	0.5
71.49989	0.5
71.50356	0.7
79.95741	0.9
82.37522	0.5
92.05061	5.2
94.02987	1.9
97.00447	0.5
107.03771	0.8
108.02161	1.4
108.04557	100.0
109.04905	2.6
110.06125	1.1
119.07307	0.5
120.04559	5.6
122.02472	1.1
122.06104	1.7
123.03249	2.0
123.04518	0.6
124.01533	0.6
133.37178	0.5
136.04047	11.9
137.04387	0.7
138.05612	97.8
139.05948	4.1
152.01167	2.3
152.03535	1.7
164.03468	0.6
166.05087	44.5
167.03706	0.5
167.05466	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68975	1.9
56.35002	2.1
58.52646	1.9
59.01371	2.0
59.98505	2.1
65.00304	2.1
68.63475	1.9
69.40062	15.7
73.02898	1.7
75.00872	3.4
81.07101	4.3
93.03455	2.0
98.19889	2.8
98.36656	1.8
121.02951	33.6
122.03802	2.1
122.21689	1.9
125.73940	2.1
150.03236	3.3
165.01939	3.6
165.05553	4.2
165.09210	100.0
166.09613	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	165.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75423	1.2
57.03445	2.1
59.01373	2.8
64.70819	1.0
65.00327	2.5
65.03975	1.4
68.99823	1.5
69.03442	1.6
71.00321	2.6
71.01383	2.3
75.00881	2.3
77.03977	4.8
80.96201	1.0
85.02952	2.5
87.00903	1.8
92.99809	8.3
93.03455	6.7
93.89407	1.0
101.02468	1.4
106.04271	1.0
107.05035	1.2
108.02198	1.2
109.02929	3.0
111.08144	2.6
119.04977	1.6
121.02959	100.0
121.06582	6.3
121.10240	28.7
122.03254	3.4
137.02480	5.1
137.06079	1.5
147.04509	3.1
149.00948	3.7
150.03218	8.8
164.83675	1.4
164.89565	3.6
165.01926	11.5
165.04135	2.0
165.05518	8.8
165.09195	17.0
165.12843	5.0
166.05072	2.2
176.02682	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1285
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
51.99936	0.8
52.22946	0.8
57.03447	35.4
59.01356	2.1
61.98848	1.2
65.00312	1.9
67.01890	1.0
68.55133	0.9
69.03446	1.9
70.53370	0.9
71.01369	1.9
71.04999	3.0
74.99094	1.0
75.00866	1.3
77.03966	3.7
80.02695	1.0
81.03458	3.5
83.05016	8.2
89.02376	1.0
92.99813	5.7
93.03461	5.7
93.99387	1.1
95.01408	1.3
95.05023	3.2
97.06586	5.6
98.19905	1.7
106.91265	0.8
107.05061	1.4
109.02935	2.4
109.06604	5.9
111.08160	55.2
112.08514	2.1
119.05020	1.0
121.02957	80.3
121.06592	1.9
122.03288	3.5
122.06065	1.2
123.00874	1.2
123.04603	1.0
137.02470	3.4
137.06102	1.0
137.22432	0.8
138.05608	0.8
147.04494	1.4
147.11740	0.9
149.00931	3.1
149.09717	0.9
150.03233	3.9
163.11278	2.8
164.83627	3.6
164.89502	2.0
165.01904	9.1
165.04240	1.5
165.05577	6.3
165.12843	100.0
166.05081	3.0
166.13177	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	164.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24573	0.4
60.43142	0.4
65.03983	0.4
69.35184	1.8
69.35610	1.4
91.05511	0.9
93.03472	0.5
107.05022	0.9
109.02934	3.6
117.03490	2.0
119.05056	2.9
120.05358	1.1
121.02951	3.3
135.04527	5.9
136.04866	7.4
137.02448	21.7
138.02983	0.6
145.02945	4.7
147.04497	0.6
149.05629	2.5
163.02585	0.6
163.04007	20.8
164.04790	100.0
165.05130	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	164.0717
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
56.51878	0.6
69.96283	1.6
69.96677	1.1
72.00912	43.1
91.05521	3.1
92.31281	0.6
97.29044	0.6
103.05530	7.7
118.06596	0.9
119.05030	2.0
120.05358	0.8
121.02985	1.0
146.06192	0.9
147.04523	100.0
148.04861	4.5
164.07167	44.2
165.07515	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	164.0716
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
59.01405	0.6
69.58859	1.4
69.59286	1.5
72.00909	43.6
75.00903	0.8
75.91726	0.5
87.14960	0.5
91.05531	3.1
92.05854	0.6
93.03465	1.1
93.94997	0.4
98.20601	0.9
103.05525	5.1
106.05290	0.5
118.06588	0.6
119.05019	3.2
120.04586	0.6
120.05372	1.7
121.02159	0.9
121.02966	11.4
122.03726	1.0
135.04553	0.5
137.02443	0.8
147.04520	100.0
148.04858	4.1
149.02403	0.8
150.03232	3.1
164.07159	43.8
165.01947	1.1
165.05563	1.1
165.07521	1.7
165.09174	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0193
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
51.37762	0.2
57.03426	0.2
59.01372	1.2
67.62435	0.1
70.91098	0.4
71.01376	0.8
72.68591	0.1
72.99313	0.9
73.02942	0.2
75.00870	7.8
77.03965	5.4
78.04329	0.2
79.24602	0.1
85.02969	0.2
87.00871	2.4
89.02468	0.2
93.03468	1.2
93.31170	0.2
99.00883	0.4
104.05076	0.3
105.01959	1.4
121.02954	100.0
122.03278	3.8
129.01927	0.8
137.02455	1.1
138.05588	0.2
138.51894	0.2
147.03017	0.4
148.04068	0.5
150.03255	0.3
164.89517	0.8
165.01924	6.8
165.04054	4.1
165.05487	0.3
165.07701	0.2
166.02234	0.3
166.05138	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0405
Annotation	L-Lyxonate
Peak:m/z	Relative Intensity
55.01860	1.1
57.03445	2.2
58.00577	0.3
59.01380	13.7
59.98553	0.4
64.91509	0.3
68.71400	0.3
68.99806	0.4
71.01381	9.1
71.50270	0.6
72.60056	0.4
72.99306	11.3
73.02958	1.9
75.00872	100.0
76.01218	1.2
79.95764	0.6
83.01382	1.0
85.02949	2.7
86.54479	0.3
87.00874	69.6
88.01228	0.9
89.02438	3.6
99.00878	10.0
101.02434	4.5
105.01933	47.1
106.02260	0.8
111.00910	0.8
111.99538	0.4
117.01929	2.1
119.03457	0.9
121.02943	1.5
124.62850	0.3
125.99610	2.3
129.01945	10.2
130.02255	0.3
135.02979	1.3
147.02988	8.5
162.32860	0.4
165.04039	59.1
166.04362	1.3
167.55019	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20599	0.5
55.80987	0.4
58.47219	0.5
71.00532	0.8
107.05038	0.6
109.02947	3.1
117.03469	1.9
119.05040	2.6
121.02992	0.9
135.04530	5.3
136.04852	1.7
137.02448	22.8
138.03236	1.0
145.02943	4.6
147.04530	0.6
163.02577	0.6
163.04015	22.6
164.04791	100.0
165.05104	4.8
170.63588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08357	0.3
52.68493	0.3
53.16556	0.4
60.59207	0.3
61.82023	0.3
63.22715	0.3
65.03955	0.5
66.26251	0.3
69.65794	2.0
74.99088	1.5
76.82231	0.4
77.03983	0.5
89.25096	0.3
89.37865	0.3
91.02226	0.7
91.05519	0.4
93.03454	0.6
102.68420	0.3
105.03502	0.4
107.05008	0.8
109.02951	3.2
116.21281	0.4
117.03477	1.9
119.05016	2.7
120.05368	1.0
121.02937	4.6
123.00874	0.6
134.88205	0.4
135.04521	5.4
136.04880	0.7
137.02446	23.9
138.03136	1.2
145.02954	4.3
146.03316	0.6
147.04532	1.4
149.00954	13.6
163.04010	22.9
164.04787	100.0
165.04016	1.0
165.05182	5.1
165.09174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
51.73365	0.5
57.90532	0.6
58.99603	1.0
59.01371	1.3
68.40614	0.5
70.12197	2.5
71.01398	0.6
91.01902	1.0
91.05535	100.0
92.05857	3.1
93.03471	2.4
101.02478	0.8
102.98564	1.7
107.04992	1.0
109.02944	0.9
113.91518	0.6
117.03437	0.7
119.05032	42.8
120.04574	0.9
120.05369	1.7
122.03810	0.7
135.04521	14.8
136.05263	1.0
137.02451	3.9
138.03284	0.6
145.02998	1.4
147.04498	0.7
148.05318	0.6
162.83926	1.5
162.89357	1.1
163.00366	1.3
163.04015	14.9
163.07666	1.0
164.04794	18.9
164.07027	1.1
176.66628	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
59.01371	0.2
67.05520	0.2
69.44965	1.3
71.01392	0.2
71.39642	0.2
72.00913	0.6
81.32261	0.2
91.01913	0.2
91.05522	2.2
93.03465	1.3
102.98604	0.3
107.78605	0.2
119.05027	100.0
120.04549	0.3
120.05362	4.0
121.02924	0.2
122.03796	0.2
135.04524	0.6
147.04538	1.5
152.46559	0.2
162.89363	0.4
163.00389	0.3
163.04012	5.5
163.06105	0.2
164.04489	0.2
164.07176	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.04
Annotation	3-(3,4-dihydroxyphenyl)prop-2-enal
Peak:m/z	Relative Intensity
65.00320	0.7
65.03960	5.1
67.01894	1.5
79.05538	1.1
79.61622	0.3
93.03461	0.5
99.00524	0.3
107.05025	9.5
108.05373	0.4
109.02947	4.3
111.43771	0.3
119.05038	2.7
135.04521	100.0
136.04845	3.2
163.04005	22.3
164.04358	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0765
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
58.99607	0.2
59.01377	0.2
62.55762	0.2
66.09856	0.2
69.50335	1.3
71.94643	0.2
102.98613	0.2
110.48991	0.2
119.05035	1.8
121.02959	1.8
122.03770	0.3
135.04533	0.2
144.34900	0.2
147.04520	3.1
148.05301	100.0
149.05620	4.0
163.07640	3.3
163.67551	0.2
163.68997	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1123
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
59.01376	1.4
61.98828	3.3
71.00007	1.6
71.00332	1.6
78.05890	1.1
93.46337	1.1
93.73969	1.0
98.20046	1.2
101.02406	1.4
104.39276	1.1
105.35652	1.2
113.79788	1.2
116.92093	4.5
119.05028	43.6
120.05367	3.0
150.25955	1.1
163.00389	1.8
163.03993	4.3
163.11284	100.0
164.11629	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0506
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
50.60326	0.4
54.38406	0.4
57.03434	0.6
59.01371	2.5
63.33005	0.4
68.99794	0.6
69.89011	2.2
71.01336	0.6
84.91505	0.4
84.99323	2.1
85.02941	0.6
98.20573	0.8
113.06085	100.0
114.06421	3.7
127.00397	1.4
136.34308	0.4
156.89507	1.2
157.01393	0.6
157.05057	8.3
157.08685	1.2
157.12341	1.7
158.03571	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0822
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
52.12113	0.3
57.03449	0.7
57.97548	0.9
58.02973	4.8
59.01378	3.9
68.99822	0.6
69.03453	0.6
70.75427	0.3
71.01376	0.8
71.05012	0.4
71.51022	0.3
72.99319	0.3
73.02949	0.5
83.01363	0.6
83.05053	0.4
85.02948	0.8
86.06103	0.3
87.00901	0.3
87.04517	0.4
95.05032	1.2
96.05373	2.0
97.02987	0.4
97.06595	0.7
99.00910	0.8
99.04466	0.3
101.02451	0.6
107.61767	0.3
111.00816	0.4
111.04527	0.3
113.02407	0.3
113.06100	0.6
114.05643	0.9
114.09237	6.6
115.04024	0.4
115.09554	0.4
116.07172	100.0
117.05589	1.1
117.07501	3.0
128.00624	0.3
129.01987	0.3
140.07202	0.7
141.01976	0.5
157.87169	0.7
158.03580	0.5
158.05229	0.5
158.06129	1.2
158.08217	12.2
158.89235	1.4
159.02992	0.9
159.06622	1.2
159.08565	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1027
Annotation	(R)-2-Hydroxycaprylic acid
Peak:m/z	Relative Intensity
52.74842	0.3
55.01879	0.4
57.03429	0.3
59.01363	0.4
67.91418	0.3
69.78665	0.7
69.79082	1.1
71.01367	0.9
72.99321	0.5
73.02931	1.9
85.06622	0.4
87.00883	1.0
99.00872	0.4
99.92583	0.5
101.02439	0.6
111.00882	1.0
111.08152	2.8
113.09726	100.0
114.10047	3.8
116.92858	0.9
129.01953	0.7
141.09230	2.7
148.83839	0.3
157.08684	1.3
159.02977	1.3
159.10268	51.1
159.89424	0.4
160.04076	0.7
160.10596	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.9909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.18937	0.4
60.01723	1.1
68.99809	3.0
71.01350	0.5
71.04197	1.0
76.64377	0.4
85.02964	0.6
95.05026	3.6
96.99331	0.7
99.00937	0.6
101.02452	0.9
109.04124	0.5
113.06069	0.8
115.05941	0.5
116.07214	0.8
123.25623	0.5
127.00399	0.9
139.89198	0.7
140.07294	0.4
151.81659	0.5
156.89473	10.5
157.01460	1.0
157.05084	1.0
157.08688	1.0
157.12357	2.0
158.08310	0.7
174.54935	0.5
177.34706	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0506
Annotation	2-Isopropylmaleate
Peak:m/z	Relative Intensity
57.03440	1.5
57.97564	1.9
58.02961	2.2
59.01379	21.3
60.99308	0.7
64.06407	0.5
68.59540	0.4
68.99815	9.6
69.03452	1.2
70.02983	0.5
70.38175	0.6
70.38535	1.2
71.01382	1.2
74.10952	0.4
80.38568	0.4
81.03457	0.7
83.05022	6.1
85.02957	1.5
85.06570	0.6
87.00901	0.5
90.68304	0.4
93.03459	3.6
95.05027	100.0
96.04803	0.6
96.05350	3.9
96.99327	1.4
97.06573	0.4
99.00890	1.2
101.01868	0.4
101.02453	1.7
111.04522	1.1
111.08164	0.4
112.04021	0.4
112.94208	0.4
113.02478	0.4
113.06088	5.9
114.05590	4.8
114.09271	3.6
115.05192	0.5
115.05953	7.3
116.07175	53.2
124.98904	0.5
127.00393	1.6
129.01947	1.0
131.01979	0.6
139.03989	0.8
140.07120	0.4
156.89491	1.5
157.01443	1.8
157.05058	40.5
157.08626	2.1
157.12354	0.9
157.87196	1.7
158.03557	0.7
158.05415	0.7
158.08215	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	153.1286
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
51.52204	1.0
52.94789	1.0
61.98814	3.0
65.00321	4.3
65.03955	1.7
66.03475	3.0
68.99802	3.0
69.03443	4.0
71.05004	2.6
76.81380	1.0
80.96494	1.9
81.03458	6.0
82.02994	2.9
83.01396	3.3
83.05022	1.5
91.01891	1.3
95.01381	1.8
95.05019	1.0
95.31274	0.9
97.02947	4.3
97.06584	22.5
99.08152	8.4
107.05093	2.2
108.02180	8.3
109.02954	82.0
109.06590	3.9
110.00119	7.2
110.02579	1.7
110.03230	5.5
112.03991	1.1
118.89941	1.6
123.00891	2.3
123.04520	3.2
124.01614	1.1
124.04024	3.5
124.98847	1.8
125.02453	6.2
125.09682	1.2
135.04504	1.5
137.09721	2.4
137.99580	7.1
138.01915	0.9
138.03230	2.5
144.07007	1.1
151.00334	2.1
151.11331	1.5
153.01932	27.0
153.05553	7.3
153.09264	1.1
153.12846	61.1
153.86865	100.0
154.01385	2.0
154.02473	1.3
154.05052	1.9
154.13152	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	155.0714
Annotation	AC1OGP93
Peak:m/z	Relative Intensity
53.68835	2.2
55.01881	4.9
55.84147	2.0
58.00601	15.4
59.01378	70.6
63.77669	1.7
66.14194	1.8
66.24421	2.1
68.99818	2.4
69.03458	3.6
69.89581	9.2
71.01372	16.7
71.04997	3.3
72.02164	6.9
72.99300	8.2
79.05569	2.3
80.02673	4.7
81.03456	2.3
81.07104	3.8
82.27016	1.9
83.01392	7.8
83.05029	18.1
84.02175	14.5
85.02953	5.1
85.06593	3.8
86.00092	13.9
93.03462	7.2
95.01376	3.5
95.05021	53.2
95.05619	3.2
97.06590	23.9
98.19979	3.1
99.08152	47.1
107.05029	100.0
108.02158	6.1
108.05304	2.0
109.06601	10.6
110.00105	4.2
110.14735	2.2
111.04504	9.8
111.08174	8.7
112.01674	8.4
112.04063	9.6
113.06096	18.0
114.05606	80.4
123.04453	3.9
125.06074	32.6
127.00368	2.6
127.07648	38.0
137.06088	9.1
140.01181	3.9
144.00706	3.4
154.99889	4.8
155.03561	5.3
155.05603	1.8
155.05836	2.4
155.07138	25.3
155.86571	17.0
156.06664	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	156.9907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
57.97562	0.8
59.01378	100.0
60.01716	1.3
60.99262	0.4
68.99815	9.3
69.02058	0.4
69.03457	0.5
70.12866	1.4
71.01395	1.5
83.01395	0.4
83.05035	1.4
84.04546	0.3
85.02979	1.2
86.06122	1.5
87.00876	0.3
93.03488	0.6
95.05023	18.9
96.99334	1.3
99.00858	1.7
112.04072	1.3
113.02455	0.4
113.06100	1.1
114.05613	1.6
114.92075	0.6
115.00431	0.6
115.05956	1.3
116.07209	1.0
124.98779	0.5
127.00372	2.4
129.00478	0.5
129.01956	1.2
131.02005	2.8
131.26126	0.3
140.07124	0.4
156.97324	2.1
157.00189	0.6
157.01443	2.1
157.05058	8.6
157.08742	1.1
157.12418	0.5
158.03548	0.7
158.08310	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0558
Annotation	3,4-Dihydroxyphenyl ethanol
Peak:m/z	Relative Intensity
54.60641	0.2
59.06439	0.2
61.98826	0.5
65.00329	1.2
65.03979	0.3
66.03474	0.2
67.01878	0.3
68.99828	0.3
69.03464	0.5
69.74088	1.4
81.03444	1.3
83.01399	0.3
91.01882	0.3
93.03434	1.1
95.01378	0.6
95.02526	0.4
95.05032	2.0
96.25645	0.3
96.96010	0.3
97.02953	1.7
101.21870	0.3
105.03456	0.4
105.82655	0.2
107.05021	0.4
108.02174	1.4
109.02956	10.0
109.06592	0.7
110.00093	1.3
110.03287	0.6
113.35161	0.2
116.29778	0.2
117.94185	0.3
120.05792	0.3
121.02962	0.3
122.03740	2.3
123.04527	100.0
124.04027	1.6
124.04866	4.3
125.02457	0.9
135.00879	0.4
135.04489	0.5
135.08177	0.4
136.04031	0.7
137.99594	1.7
138.03214	0.5
151.00348	0.3
153.01961	3.9
153.05579	14.6
153.09218	1.0
153.86844	3.7
154.02657	0.3
154.05096	0.9
174.12102	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0401
Annotation	4-Hydroxyphenacyl alcohol
Peak:m/z	Relative Intensity
53.65095	3.1
59.01363	14.3
66.03468	6.6
68.11372	3.4
69.27103	3.6
69.85308	3.7
70.25908	3.3
71.01386	18.6
71.52431	5.7
73.02946	9.2
81.41811	3.6
85.51279	3.2
88.94605	3.5
89.02445	11.3
91.01886	52.2
93.03448	39.6
95.01386	5.4
101.02433	15.3
101.12495	3.3
105.03440	5.1
107.05050	20.1
107.63860	3.5
108.02181	11.8
119.01387	13.3
121.02956	46.5
122.04828	7.8
123.04530	13.1
133.06573	4.3
136.01674	69.6
136.05283	3.9
149.02440	4.3
151.04016	100.0
151.06056	5.7
151.07602	8.1
151.08754	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0115
Annotation	2,4-dihydroxybenzoate
Peak:m/z	Relative Intensity
58.16273	1.5
59.01367	2.2
65.00320	7.1
65.03946	2.0
66.03483	39.9
68.99803	2.4
69.03446	3.7
71.01377	3.2
71.50558	2.3
72.01727	3.1
80.02667	10.9
81.03451	6.4
83.01373	3.8
96.96001	1.9
97.02938	8.8
104.04268	1.5
107.05046	4.4
108.02174	100.0
108.04556	7.1
108.05266	1.9
109.02960	97.0
109.06575	4.0
110.00087	12.9
110.02472	4.3
110.95569	1.7
111.04512	1.6
111.16476	1.4
122.03669	4.3
122.06114	1.6
123.00864	3.7
123.04520	11.2
124.04017	3.4
124.04870	3.2
125.02451	10.6
125.06058	2.5
135.04495	3.4
137.02008	9.5
137.99588	16.4
138.03181	3.1
140.90303	1.9
152.01146	45.6
152.03439	17.7
152.04527	2.5
152.07127	4.9
153.01979	30.7
153.05560	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	152.0354
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
52.62468	0.4
60.00249	0.3
62.24854	0.3
62.97013	0.3
65.00319	1.0
65.31873	0.3
66.03490	0.8
69.78064	0.6
69.78452	0.9
71.01399	0.4
81.03471	0.5
87.25922	0.3
97.02969	0.8
100.18384	0.3
108.02161	1.2
108.04582	0.5
109.02959	10.5
109.06637	0.4
110.00121	0.4
121.02974	1.1
122.03745	44.4
123.04111	1.4
125.02431	0.4
130.91536	0.4
137.02000	0.5
137.99608	0.6
151.87437	0.6
152.03542	100.0
153.02034	2.4
153.03882	4.7
153.05247	0.5
153.05609	0.5
169.95413	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.9596
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19432	2.1
59.98528	1.9
65.00307	2.0
65.08304	1.7
70.10600	6.9
71.01379	27.2
72.99311	35.2
75.71199	2.0
78.91877	8.8
78.95903	10.6
80.96515	4.4
83.42715	2.0
91.02868	2.4
96.99340	10.1
98.20031	2.6
102.94402	26.4
108.02168	3.4
108.94689	13.9
109.02946	30.6
110.92614	46.6
111.92686	2.3
115.50885	2.0
125.02438	1.8
146.93393	6.5
152.93758	18.3
152.95955	100.0
152.99564	4.9
153.01917	8.3
153.05583	2.8
165.90685	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	153.0194
Annotation	2,3-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
65.03960	18.9
66.04289	0.6
67.01888	8.4
69.70614	2.0
75.01873	0.3
82.41405	0.3
88.48228	0.3
91.01886	5.2
105.47850	0.3
109.02950	100.0
110.03285	2.9
135.00883	30.8
136.01215	1.1
153.01932	59.1
154.02295	2.4
158.26292	0.3
170.68748	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07553	1.2
63.83798	1.0
69.35242	8.4
69.35635	2.1
73.02946	1.2
89.02451	3.9
91.05514	5.2
93.03468	4.0
95.05060	2.1
95.40151	1.1
103.05559	1.2
105.03439	6.2
106.17075	1.2
119.05047	5.9
121.02953	34.1
129.03400	1.2
147.04523	29.3
148.05309	100.0
149.04550	1.9
149.05659	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	149.0455
Annotation	D-ribulose
Peak:m/z	Relative Intensity
59.01387	4.5
69.03455	3.4
71.01379	36.5
71.13371	1.8
73.01501	1.0
73.02945	32.3
74.03255	1.1
84.27782	0.8
84.61259	0.8
85.02950	1.3
87.00884	10.9
89.02442	100.0
90.02788	2.0
91.16644	0.8
101.02467	1.8
103.04007	9.9
115.02065	0.9
131.03488	2.5
149.04552	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	D-ribulose
Peak:m/z	Relative Intensity
59.01377	4.9
69.03452	2.8
69.40339	6.3
71.01382	36.0
72.01717	0.9
73.02946	28.3
73.84421	0.8
76.12836	0.8
78.95868	0.8
79.57598	0.8
87.00882	11.4
89.02444	100.0
90.02775	1.6
101.02457	1.7
103.04024	10.0
131.03487	1.6
149.04552	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	149.0456
Annotation	D-ribulose
Peak:m/z	Relative Intensity
58.00603	1.0
59.01380	7.4
66.98343	0.9
69.03467	1.4
70.84565	2.2
71.01384	39.8
71.01779	2.1
73.02947	27.0
81.68068	0.9
87.00880	12.1
87.57783	0.9
89.02448	100.0
101.02462	2.0
103.04010	9.6
149.04558	28.6
150.04979	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	5.9
59.01376	8.0
68.07873	4.3
70.89572	8.7
71.01375	17.1
72.99297	3.8
73.02945	6.0
83.01385	6.9
83.05015	5.9
87.00871	15.5
99.00855	5.5
101.02424	22.0
101.06082	6.8
102.05603	68.6
103.60146	3.6
114.25638	3.5
115.00362	12.1
120.09718	5.1
122.23506	3.7
127.00404	7.1
128.03526	22.1
128.32530	4.2
142.63910	3.9
144.96477	100.0
145.01422	6.4
146.04578	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	145.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08674	1.0
73.96915	0.9
75.80740	0.9
81.68826	0.8
88.08765	0.8
97.06581	3.2
99.08157	100.0
100.08495	4.2
133.02351	1.0
143.07195	1.4
145.04883	3.7
145.08705	32.1
146.09026	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
57.90854	0.9
61.31827	0.8
69.63869	5.8
84.76837	0.9
93.45631	0.8
97.06594	2.7
98.19953	1.6
99.08157	100.0
100.08490	4.7
102.05577	0.8
117.03458	0.9
127.07661	1.4
145.08704	32.4
146.09062	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	146.046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.8
59.01379	8.2
60.37884	0.8
63.74623	0.8
71.01375	5.5
71.05021	4.4
72.99300	1.7
73.02947	1.3
73.06578	1.0
74.02455	1.3
75.00871	2.5
77.53008	0.8
82.02963	1.1
83.01352	0.8
83.05024	1.0
84.04522	1.2
85.02947	12.1
87.00881	11.9
89.02445	1.4
101.02431	2.4
101.06088	1.9
102.05607	100.0
103.04025	1.1
103.05940	2.8
109.97930	1.0
128.03545	33.0
129.01926	1.2
129.03874	1.7
146.02530	1.2
146.04579	13.5
147.03009	2.6
147.06647	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	146.046
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
59.01375	3.4
70.98409	2.6
70.98725	2.2
77.71375	2.1
94.63602	1.5
102.05608	100.0
103.05917	2.5
128.03540	35.9
129.03905	2.2
132.83115	1.7
146.04617	13.2
153.96828	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	Unknow
Peak:m/z	Relative Intensity
57.03433	4.8
58.00599	1.4
59.01377	30.2
67.01880	1.6
71.01379	13.1
71.16753	2.5
71.19412	1.1
72.99296	4.1
75.00864	9.4
83.01379	2.3
85.02949	7.4
86.03278	2.7
87.00879	8.5
89.02402	1.6
99.00887	2.4
101.02441	1.9
102.05612	33.3
103.05339	7.4
103.05941	100.0
104.06043	6.7
106.98019	1.3
111.00838	2.2
128.03528	1.8
129.01880	2.9
129.03888	41.6
130.03978	3.2
147.02957	3.3
147.04956	15.2
148.05019	1.4
163.37740	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0143
Annotation	5-Hydroxy-2,4-dioxopentanoate
Peak:m/z	Relative Intensity
55.01875	2.8
57.03448	6.7
59.01381	14.8
71.01382	31.7
71.05022	3.6
71.32366	3.0
72.17712	2.8
72.99297	5.4
73.02938	5.6
74.02471	2.6
79.30006	2.4
83.01421	2.2
83.05035	8.0
84.04562	3.2
87.00876	19.5
99.04514	3.7
101.02423	14.8
101.06080	6.7
102.05606	100.0
109.04079	2.4
112.98858	2.1
115.00356	9.6
127.00353	3.0
127.04028	5.3
127.05051	2.7
128.03523	37.9
138.80525	1.9
145.01419	8.0
145.05040	7.3
145.06152	3.8
146.04605	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	145.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33426	3.7
57.03454	10.9
71.39176	4.9
71.39510	3.9
73.02944	5.1
74.30108	3.9
79.66835	3.8
83.01345	5.3
90.86565	3.9
92.36380	4.4
98.59856	4.1
101.02450	35.4
102.05609	100.0
113.26676	4.0
128.03532	36.9
146.04585	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	145.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37215	2.2
55.87157	2.0
57.03436	6.8
58.29384	2.6
59.01381	3.3
70.57964	2.1
71.01389	5.1
71.25280	3.7
71.97257	2.0
73.02953	6.2
73.85200	2.0
81.03449	4.2
82.30704	2.1
83.05016	16.4
83.87215	2.1
87.00878	3.7
91.11822	2.2
96.28041	2.4
101.02447	19.6
101.06088	25.6
102.05613	100.0
115.00374	4.7
128.03545	38.0
144.95491	3.8
144.96486	20.9
145.05061	7.1
146.02452	6.5
146.04605	12.1
150.03194	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	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93147	4.4
53.00304	11.9
55.01873	18.0
59.01375	47.6
68.99836	5.5
69.03457	11.1
71.01382	100.0
71.49945	5.9
81.03465	6.0
83.01379	7.5
85.02957	21.1
87.00882	22.0
95.01422	6.1
96.99319	16.7
97.06577	5.0
99.00867	8.0
109.05782	4.2
112.98803	17.8
115.00397	7.8
124.98806	63.6
125.02456	7.0
136.28383	5.0
140.98256	5.0
142.99837	54.4
143.03520	8.2
143.10751	9.0
144.06677	14.3
149.86165	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	144.0456
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
61.98825	0.6
65.99837	0.4
71.01383	0.5
71.05614	0.7
71.18683	0.3
83.05024	0.9
92.06200	0.3
101.06090	1.1
102.03482	1.5
116.05074	0.8
143.03728	0.4
143.86502	0.5
144.04549	100.0
144.06572	2.8
144.96465	1.8
145.03131	0.4
145.04903	7.5
152.44817	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0196
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
52.97184	0.4
54.55553	0.4
59.23792	0.4
60.34444	0.4
61.31241	0.4
69.30702	3.8
72.99932	0.4
76.18143	0.4
89.67908	0.4
108.02173	76.8
109.02525	3.6
138.01973	100.0
139.02327	4.6
155.37787	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0718
Annotation	Ethosuximide
Peak:m/z	Relative Intensity
54.12937	0.7
55.01872	2.2
55.23593	0.8
56.67545	0.8
59.01377	4.3
64.23273	0.9
67.01894	1.1
68.99816	6.8
69.03440	1.8
71.01372	1.5
71.51308	1.1
76.88174	0.9
83.01402	1.2
85.02949	4.0
95.01410	2.1
96.99329	1.0
97.02962	1.7
104.42854	0.9
111.00851	1.5
113.02470	1.0
123.00842	2.0
125.99581	3.4
139.34956	0.9
140.01103	1.3
140.07176	100.0
141.01952	4.0
141.07607	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	141.0922
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
59.01385	34.1
68.99813	22.6
71.00355	12.1
80.06879	5.3
95.01376	7.9
95.02680	6.2
97.02975	6.2
123.00842	6.6
141.01993	12.6
141.09219	100.0
152.38957	5.9
153.81906	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	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44973	4.4
51.39444	4.4
53.00296	13.7
55.01860	21.9
59.01378	59.3
68.99806	5.2
69.03436	8.0
69.35326	36.7
71.01007	7.8
71.01380	100.0
74.56540	4.9
75.00884	5.1
81.03463	5.4
83.01373	7.1
85.02969	13.0
87.00878	18.4
96.99308	19.7
97.02943	6.7
99.00870	8.0
112.98812	14.2
115.00288	6.4
124.98808	58.3
125.02451	15.5
142.99869	45.2
143.03455	6.2
143.10735	5.4
144.06656	12.4
152.90979	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	137.0245
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
54.26136	0.2
54.84738	0.2
64.25790	0.2
65.03968	1.2
86.83884	0.2
93.03461	100.0
94.03797	4.4
108.02192	0.4
137.02446	12.4
138.01958	0.7
138.02861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0244
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
53.82290	0.4
63.83126	0.5
65.03964	1.6
67.69130	0.4
70.30177	1.1
70.30512	0.8
79.71954	0.4
83.92836	0.4
93.03455	100.0
94.03786	5.4
98.20592	0.5
99.92595	1.1
108.02173	1.5
109.02934	0.9
136.01675	0.8
136.86288	2.9
136.89168	13.0
137.02441	15.8
137.89207	1.1
138.01974	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
63.73649	0.2
65.03972	1.3
69.13947	0.6
69.14353	2.1
79.75568	0.2
88.51727	0.2
93.03459	100.0
94.03796	5.0
98.09618	0.2
98.20689	0.4
108.02164	1.3
122.56377	0.2
123.03339	0.4
128.38339	0.2
136.86212	0.3
137.02446	12.4
138.01950	2.1
138.02725	0.3
150.35767	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0714
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
52.35029	0.6
57.03446	0.6
67.24650	0.6
68.99812	1.5
69.03453	2.7
71.01372	0.8
71.28526	1.4
72.99317	0.7
73.02940	1.3
83.05018	1.7
85.02953	4.6
85.06589	100.0
86.06909	3.2
87.04504	2.8
101.02456	0.5
110.88191	0.7
113.06080	0.9
129.05592	1.1
131.03525	1.0
131.07138	36.3
132.07491	1.5
137.16553	0.6
141.91820	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Malic acid
Peak:m/z	Relative Intensity
54.23175	1.1
59.01378	2.5
59.90834	1.3
71.01382	92.3
71.16840	1.6
72.01707	1.7
72.99303	23.6
81.13119	1.2
87.00866	4.9
88.06161	1.2
89.02454	8.4
89.02923	1.5
89.66139	1.1
92.02551	1.6
107.03635	4.9
115.00373	100.0
116.00709	5.3
133.01421	19.8
133.05046	2.5
134.04741	13.9
141.68230	1.1
144.10658	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32982	1.0
59.01394	2.6
59.72631	0.9
67.24455	1.0
71.01382	82.0
71.20103	1.2
72.99311	21.0
81.54216	1.0
87.00901	2.8
89.02443	7.6
92.48248	1.1
107.03630	4.7
110.51169	1.1
115.00376	100.0
116.00725	2.7
118.76185	1.0
132.33780	1.0
133.01440	19.9
133.05070	1.7
134.04733	10.4
134.67674	1.0
134.80542	1.0
138.90770	1.1
151.91631	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69988	0.3
65.01448	1.4
68.02545	0.8
70.32555	0.6
70.32938	0.6
80.02559	0.6
89.43973	0.3
92.02547	10.8
98.20711	0.3
107.03640	40.3
108.03992	1.0
134.04730	100.0
135.05235	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	135.0453
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
56.53198	3.8
56.84840	4.2
65.03960	51.0
67.01871	10.2
67.70765	3.7
70.64288	10.7
70.89491	3.6
79.05554	8.3
93.03452	4.7
99.92573	5.1
107.05038	41.1
109.02968	28.6
134.86528	18.8
134.89467	29.8
135.04530	100.0
135.89453	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	137.0244
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
58.74014	0.6
59.51374	0.6
59.88984	0.6
69.39362	0.6
69.55301	3.9
75.91726	0.7
93.03457	100.0
94.03801	3.9
103.85413	0.6
108.02175	0.6
109.02944	0.7
132.44313	0.6
136.89183	0.7
137.02435	16.8
138.02782	1.2
156.28595	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0765
Annotation	1-Oxa-2-oxo-3-methylcycloheptane
Peak:m/z	Relative Intensity
50.35365	6.1
68.98814	6.2
69.29208	25.9
69.29630	34.1
71.01384	15.6
71.05020	6.5
75.54006	7.8
83.05025	9.4
84.22563	5.8
85.02972	21.8
85.61566	7.7
99.00916	7.1
99.04509	8.7
110.90849	6.8
126.90419	100.0
127.00341	32.1
127.04015	10.8
127.07650	73.3
128.03551	37.8
128.07182	95.9
135.54948	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	129.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
57.03454	2.2
59.01357	0.5
61.57170	0.4
62.24955	0.4
62.44929	0.3
67.01892	6.3
67.34988	0.3
68.99809	2.2
70.82825	0.5
70.83141	0.7
71.01382	0.8
72.99323	0.7
83.01375	0.8
85.02950	2.8
88.04046	1.1
91.58556	0.3
96.40018	0.3
128.90193	0.4
129.01979	1.7
129.07529	0.9
130.08740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0195
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
50.22681	4.9
55.01866	17.1
57.03452	56.6
57.68077	5.4
59.01379	11.9
67.01891	100.0
68.99810	16.0
69.40337	44.3
71.01383	10.8
72.99317	11.7
73.02953	8.8
73.40916	5.4
83.01402	10.9
85.02947	30.1
88.04047	36.7
129.01959	26.4
129.05571	7.1
130.08745	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0559
Annotation	1-Oxa-2-oxo-3-hydroxycycloheptane
Peak:m/z	Relative Intensity
50.05108	15.3
51.72564	16.3
69.78979	100.0
79.87468	20.4
91.16753	18.5
91.73605	17.1
97.31321	16.1
98.19968	27.8
129.05571	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0559
Annotation	(R)-Pantolactone
Peak:m/z	Relative Intensity
58.36597	14.1
58.47823	15.0
69.78704	55.4
69.79121	24.4
85.02968	16.8
85.06583	16.8
98.20563	17.4
128.90140	26.8
129.05582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71231	0.8
69.07076	0.8
69.98045	1.5
69.98441	2.6
73.02972	1.0
85.02974	4.2
85.06583	1.4
98.19964	1.1
99.20174	0.8
99.90182	0.9
130.08740	100.0
131.09074	4.1
144.90929	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0715
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
54.30040	0.8
57.03461	1.1
68.99834	1.6
69.03463	1.7
69.64799	5.1
71.01397	1.1
71.55153	0.7
72.99315	0.9
73.02937	1.9
74.80117	0.8
80.56089	0.8
83.05006	1.8
85.02936	8.3
85.06590	100.0
86.06939	4.3
87.04503	2.8
88.30208	1.1
91.23824	0.7
98.19839	0.8
113.02468	0.8
129.05573	0.9
131.03520	2.0
131.07144	37.6
132.07483	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	131.0714
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
52.87393	0.8
53.15986	0.7
57.03431	1.2
68.99810	1.2
69.03451	2.9
69.44643	2.4
69.45056	3.8
71.01379	0.8
73.02935	2.0
83.05022	1.6
85.02956	7.2
85.06584	100.0
86.03300	1.1
86.06917	4.3
87.04501	3.9
98.20634	1.4
113.04184	0.8
113.06039	0.9
120.65742	0.7
129.05551	1.0
131.03522	2.6
131.07138	37.1
132.07458	1.6
148.34409	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
65.03926	1.2
66.03495	1.4
69.35020	7.9
69.35421	3.6
78.61374	1.2
78.84828	1.1
93.03464	8.2
94.02981	11.0
95.50720	1.3
108.02193	3.0
121.02959	100.0
122.02479	6.9
122.03342	4.3
124.54723	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
53.22750	1.8
59.67822	1.8
69.55376	13.2
81.24484	1.8
86.79948	2.0
93.03462	7.8
94.02991	10.1
101.91022	2.0
103.51454	1.9
108.02135	5.1
110.60886	1.9
120.99617	1.9
121.02956	100.0
122.02461	6.0
122.03299	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	122.0249
Annotation	Isonicotinic acid
Peak:m/z	Relative Intensity
61.98816	4.4
65.65714	3.8
66.03487	11.8
67.01888	6.9
68.99792	4.8
69.54411	17.7
78.03490	44.1
94.02982	73.2
95.01388	100.0
95.05025	3.8
98.20717	6.2
98.58678	3.6
108.02166	3.6
110.29037	3.6
111.21413	3.2
122.02498	95.3
122.03320	24.9
122.06119	5.9
123.00873	40.9
123.04507	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	119.0501
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
59.01381	1.9
61.98815	1.2
66.78255	1.1
69.47240	7.4
88.36210	1.2
91.05519	1.9
93.03449	6.2
101.92413	4.5
118.92640	11.0
118.93405	1.6
119.05030	100.0
120.05327	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	119.0504
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
56.20736	0.6
58.75570	0.6
59.01369	1.7
61.98825	1.0
62.76251	0.6
69.37543	4.3
71.01372	1.3
72.99326	0.8
75.65557	0.5
80.17210	0.5
91.05531	1.4
93.03468	5.5
101.92397	3.2
101.92992	0.7
117.03465	1.1
118.92640	5.6
118.93432	0.7
119.05031	100.0
120.05354	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	1191.7044
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01383	0.5
85.02945	1.4
87.00865	1.5
89.02451	2.7
91.04014	0.2
93.03461	0.2
95.01391	0.5
97.02946	1.1
99.00872	0.3
101.02441	4.8
101.03106	0.3
106.54659	0.1
109.02937	0.2
111.04508	0.3
113.02447	3.2
119.03514	0.9
125.02451	3.0
125.09747	0.4
127.04085	0.2
127.11269	0.4
131.03517	0.2
135.54214	0.1
139.03995	0.3
143.03510	1.2
152.28877	0.2
152.99562	0.4
153.09256	0.2
161.04538	1.7
167.03484	0.3
171.10266	40.8
172.10622	0.9
179.05634	1.5
185.11685	0.2
191.05614	1.1
192.05969	0.2
199.06129	0.3
213.11293	0.2
217.07161	0.9
221.06668	0.5
235.08215	3.1
245.04262	0.3
245.06653	0.2
253.09315	0.6
253.21498	0.2
255.09807	0.1
259.08380	0.8
259.77914	0.1
263.07693	0.3
277.21710	27.2
278.22076	1.6
287.07697	1.5
301.09558	0.3
305.08795	1.4
309.17432	0.2
323.09738	1.0
341.11002	0.2
361.23828	100.0
362.19617	0.3
362.24176	7.2
379.12448	13.2
380.12933	0.7
397.13489	27.8
398.13754	1.1
414.00449	0.1
415.14560	4.2
416.14969	0.2
459.18353	0.2
481.25745	0.7
551.23456	6.8
552.23877	0.5
565.29639	0.2
569.24463	4.9
570.24762	0.4
657.34741	3.3
658.35468	0.3
675.35919	3.6
676.36401	0.4
680.73358	0.2
691.81940	0.2
829.45648	1.0
830.46692	0.2
1045.18457	0.1
1173.57056	0.3
1191.58276	0.2
1216.84058	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1169.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
86.15752	0.4
96.96956	3.5
98.19821	0.6
113.73360	0.4
116.61407	0.4
118.67994	0.4
150.98000	0.9
152.99576	54.4
157.82753	0.4
171.00638	10.8
183.01178	0.8
213.56937	0.4
227.03259	3.4
245.04295	47.0
246.04701	1.2
253.21709	26.2
254.22026	1.6
311.16766	1.6
481.25690	100.0
482.25974	8.2
640.52997	0.4
825.29712	0.5
1133.61829	0.5
1169.49377	14.3
1170.50208	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	117.0194
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01855	0.8
66.91266	0.5
68.37881	0.4
71.19872	0.5
71.20191	0.5
73.02946	100.0
74.03285	2.9
93.86122	0.4
98.15028	0.5
99.00879	8.2
108.53717	0.4
116.76745	0.4
117.01941	12.0
121.29972	0.4
138.55305	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27556	0.4
53.06410	0.5
55.01886	0.9
64.51575	0.5
64.58990	0.5
69.23163	0.5
69.87257	0.4
70.91662	1.4
73.02945	100.0
74.03281	2.4
79.69437	0.5
80.53399	0.5
87.79644	0.5
91.50803	0.5
99.00878	8.3
99.92597	1.7
116.92866	2.7
117.01937	11.6
117.53590	0.5
126.56041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1177.7164
Annotation	Unknow
Peak:m/z	Relative Intensity
84.05758	0.1
95.95230	0.2
96.96002	0.4
101.02372	0.1
107.05003	0.3
109.02979	0.2
135.04524	7.2
136.04851	0.2
149.06075	0.2
161.06082	0.2
163.03999	47.5
164.04323	1.7
172.27356	0.0
176.04764	0.1
177.05641	0.3
178.06337	42.2
179.06693	1.5
193.08681	33.8
194.05875	0.1
194.08989	1.4
229.01659	0.1
242.99693	0.1
258.02002	1.3
273.04358	100.0
274.04675	3.9
478.74008	0.1
1198.69812	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	1179.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05036	0.2
96.96972	1.9
98.19787	0.3
127.07653	0.2
134.98529	0.2
150.98022	0.5
152.99582	35.5
153.99921	0.4
158.34546	0.1
171.00645	1.5
191.05711	0.2
227.03258	3.4
233.22774	0.4
245.04272	1.0
257.19296	0.2
259.20538	0.6
275.20096	0.6
277.21707	73.4
278.22052	5.0
343.72739	0.1
413.21030	0.9
431.22198	0.2
455.16971	0.2
473.17969	0.2
497.22141	0.3
505.25714	100.0
506.26050	7.7
506.33701	0.3
512.13208	0.3
526.15088	0.2
541.20807	0.3
542.17871	0.2
543.22015	0.2
583.18164	0.3
585.20074	0.8
587.21136	0.1
614.20343	0.6
619.37488	0.1
629.22931	0.4
667.18286	0.3
673.21472	0.9
723.20673	0.5
741.22070	0.7
770.25995	0.1
797.24219	0.6
827.21918	0.2
1001.43121	0.3
1005.48462	0.1
1075.46997	5.1
1076.46765	1.2
1119.45850	0.5
1135.48755	0.5
1147.45862	0.2
1175.02783	0.1
1179.48010	9.0
1180.48157	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	115.0038
Annotation	Maleic acid
Peak:m/z	Relative Intensity
70.77901	6.1
70.78240	12.2
71.01382	100.0
72.01714	5.3
90.44517	6.0
115.00352	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	1150.6287
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05009	0.2
96.96932	0.3
97.06575	0.1
99.04511	0.1
104.97477	0.3
122.00125	1.3
122.98558	0.2
124.01648	0.1
127.07661	0.2
134.98543	0.3
140.01186	6.8
141.01466	0.1
152.99586	2.4
166.02721	0.3
171.00601	0.3
174.43576	0.1
191.05676	0.1
191.10727	0.1
196.03787	11.3
197.04201	0.1
197.31721	0.1
205.19612	0.2
214.04846	2.3
233.22781	0.4
246.95659	0.1
259.20743	0.6
274.80130	0.1
275.20160	0.7
277.21704	90.1
278.22049	5.0
413.20782	0.1
474.26224	100.0
475.26578	7.7
475.33578	0.1
772.66382	0.1
787.93793	0.1
802.82666	0.1
907.41803	0.1
1150.61084	0.2
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
59.01367	5.6
60.97612	4.3
64.14724	4.1
70.78252	8.8
71.01382	100.0
71.65858	4.5
86.94933	4.1
89.87179	3.9
115.00365	9.6
116.07166	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	115.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45852	2.9
59.01363	10.7
65.09185	3.4
70.70613	6.0
71.01381	100.0
71.05022	4.6
72.01711	4.9
74.02475	5.8
86.54850	3.1
87.00881	5.6
115.00378	19.0
115.03979	3.4
116.07176	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	1139.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95737	11.4
80.96517	2.0
90.65105	0.1
94.98089	0.8
95.94613	0.2
95.95235	5.1
96.96011	100.0
97.95956	0.3
98.95598	0.2
101.37900	0.1
108.02153	0.2
110.97619	0.4
117.03445	0.2
121.02983	0.1
121.62782	0.1
122.03741	0.3
122.97585	5.6
129.69458	0.1
130.04202	0.1
133.40343	0.1
134.03708	0.2
135.04556	0.9
136.01653	0.3
137.02431	0.2
141.95816	0.1
145.02965	1.0
146.03734	22.3
147.04353	0.9
149.02452	0.2
149.06097	0.1
150.03223	2.7
150.97115	0.1
151.03969	0.2
161.06078	6.2
162.03217	1.5
162.06381	0.2
163.03998	1.4
164.04788	14.2
165.05554	1.9
177.05562	0.8
179.07127	13.7
180.04253	0.1
180.07452	0.5
181.04947	0.1
195.06624	0.8
229.39877	0.1
229.98930	0.2
242.99672	0.1
245.01216	0.5
258.01984	0.9
259.02585	0.2
275.02307	11.1
276.02615	0.3
321.15494	0.1
455.10144	88.0
456.10461	6.1
457.10162	0.3
671.21564	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	1141.7042
Annotation	Unknow
Peak:m/z	Relative Intensity
80.19226	0.2
81.94159	0.2
83.05020	0.8
85.02943	1.5
87.00861	0.3
89.02455	0.3
100.30350	0.2
101.02444	0.8
113.02432	0.3
161.04546	0.4
163.11298	0.6
165.12851	0.3
176.36797	0.2
209.11813	30.1
210.12151	1.2
227.12859	5.2
228.13156	0.4
235.08189	2.2
253.09256	3.5
277.21713	33.3
278.22101	2.1
299.20224	1.6
300.20453	0.2
315.93433	0.2
385.23816	100.0
386.24179	8.4
445.20706	1.6
475.47052	0.2
513.30823	1.5
527.87903	0.3
705.42487	0.4
723.43213	0.3
1104.49829	0.2
1141.50903	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1143.7195
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02666	0.2
81.03439	0.2
81.87417	0.1
83.05025	0.5
85.02959	0.1
87.00876	0.1
87.04512	1.0
89.02442	0.3
101.02474	0.5
113.02465	0.3
119.03490	0.1
135.08141	0.1
145.04999	0.2
161.04514	0.3
163.11308	0.5
165.12814	0.3
173.81165	0.1
179.05531	0.1
191.10765	0.1
209.11813	27.6
210.12164	1.1
227.12877	4.8
228.13199	0.1
235.08220	2.8
247.12956	0.1
253.09283	2.8
259.15405	0.1
259.20718	0.1
277.21704	35.7
278.22079	2.5
299.20193	0.6
386.24026	0.1
387.25378	100.0
388.25723	8.5
388.29846	0.1
427.19675	0.3
445.20703	1.3
513.30682	1.8
514.31030	0.1
541.95850	0.1
705.41925	0.3
712.07214	0.1
723.42053	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95902	45.2
78.98589	2.2
79.95737	13.8
80.96516	25.4
87.00899	1.2
94.98090	6.0
96.95998	1.0
96.96973	2.9
97.02982	0.9
101.02459	2.2
106.98035	1.5
122.97547	1.6
125.02442	1.2
134.97603	1.8
136.99139	1.1
137.71918	0.8
148.99084	2.4
152.99591	51.3
153.99904	1.4
164.98630	4.5
169.62378	0.8
171.00652	9.2
191.05608	1.3
206.99651	1.7
224.98695	1.0
225.00751	11.8
227.03317	4.2
240.77141	0.9
245.04294	36.2
253.21698	23.3
254.22112	1.0
275.57568	1.1
277.21655	1.1
283.04910	1.5
355.06897	1.2
465.17975	0.8
481.25708	100.0
482.25955	7.6
559.26306	1.1
631.28198	1.0
645.29828	1.4
701.35645	1.1
741.38586	1.0
900.04535	1.0
993.76636	1.0
1105.46545	1.6
1123.48047	73.3
1124.47852	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	113.0609
Annotation	2,3-HEXANEDIONE
Peak:m/z	Relative Intensity
50.96947	1.8
55.01868	8.7
55.55341	2.0
57.03448	26.8
57.39064	2.0
65.39436	1.9
68.99573	100.0
68.99950	4.9
69.03454	5.1
69.78461	8.9
71.01380	6.6
72.00919	2.3
76.76287	2.0
77.53971	1.9
77.82944	2.0
79.41314	1.8
83.01394	3.4
84.02161	8.5
85.02953	57.3
88.38558	1.9
95.42043	2.2
98.20631	2.5
113.02441	33.8
113.06088	42.1
114.05621	30.2
114.06393	4.7
122.43893	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	1117.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
80.60612	0.2
83.01387	1.7
83.01810	0.3
85.02949	17.1
86.00095	0.4
86.03295	0.4
87.00874	2.9
87.04488	0.2
89.02448	2.7
93.03451	0.5
95.01402	2.3
96.96008	0.8
97.02952	1.0
99.00870	2.2
99.04532	0.3
101.02438	5.4
112.01677	0.7
113.02449	10.7
115.00378	0.4
115.04005	0.7
116.01155	0.9
117.01954	0.5
119.03512	1.5
119.04213	0.2
129.01947	0.8
131.03511	1.5
143.03490	2.0
145.05080	0.7
157.01392	1.0
159.02991	0.3
161.04530	2.5
175.02521	0.8
179.05595	0.4
191.05641	0.4
205.07158	1.1
221.06631	0.5
245.15480	0.2
247.08290	0.6
319.41519	0.2
367.12430	2.4
389.28952	0.3
393.12152	0.5
407.33072	2.0
453.33548	0.6
471.34836	2.3
472.35059	0.3
525.35889	0.4
567.36938	0.5
569.34753	0.3
571.36597	0.4
585.37860	4.5
586.38226	0.7
629.36719	1.4
647.37952	9.5
648.37933	1.3
726.24701	0.2
751.25903	0.3
803.04474	0.3
810.58673	0.3
950.13586	0.3
997.49603	0.3
1117.54309	100.0
1118.54419	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0088
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01876	13.9
61.44430	1.9
62.05809	2.5
67.01890	71.8
67.13584	2.0
67.62934	2.1
69.97368	9.7
71.01381	3.0
78.95908	31.8
80.84621	1.9
81.03472	2.0
83.01379	27.7
98.20630	2.6
110.89879	2.4
110.97547	6.6
111.00880	100.0
111.01986	24.4
111.04498	6.2
112.01190	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	1115.5947
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95732	10.0
80.96519	0.1
91.14652	0.1
93.03450	0.2
95.95222	0.2
96.96006	100.0
97.09987	0.1
97.95940	0.2
101.17997	0.1
108.02161	0.2
110.97591	0.4
118.72156	0.1
121.02946	0.2
123.04530	0.1
136.01654	0.2
137.02435	0.8
139.61153	0.1
150.03172	0.1
151.04012	0.4
162.03290	0.1
163.03976	0.1
165.05504	0.1
173.04628	0.1
175.03938	0.3
177.05553	0.2
178.06384	0.1
190.06354	0.1
203.07124	0.1
205.13779	0.1
206.05846	0.1
209.06056	0.1
216.98103	0.2
222.05362	0.2
230.99692	0.2
245.01245	0.2
251.07027	0.1
260.09213	0.1
261.05688	0.1
267.06519	0.1
269.08191	0.4
279.06561	0.3
280.07431	0.1
283.09793	0.1
294.08890	0.1
295.09814	0.1
297.02594	0.1
297.07669	1.8
298.08206	0.2
309.07593	0.1
309.10995	0.1
311.09238	0.1
312.10040	1.1
313.10693	0.3
327.12360	0.5
333.20880	0.1
339.12238	0.2
357.13443	0.2
422.06577	0.2
437.09064	63.4
438.09384	4.0
677.49872	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	1109.678
Annotation	Unknow
Peak:m/z	Relative Intensity
78.13557	0.1
78.80906	0.1
87.04522	0.5
97.02936	0.2
99.00864	0.3
121.90874	0.1
140.31860	0.1
156.59174	0.1
163.11259	0.2
181.12302	0.4
187.43770	0.1
207.10286	1.6
213.30118	0.1
225.11319	4.3
243.12299	0.4
253.09386	0.2
273.81323	0.1
277.21689	4.6
278.22159	0.2
299.20187	3.6
300.20474	0.3
327.21805	0.2
387.25385	100.0
388.25723	7.2
406.96655	0.2
443.19180	0.4
461.20236	2.8
581.37463	0.1
721.41718	4.1
722.42151	0.6
977.36224	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.5
67.01891	25.4
71.01370	1.7
71.07966	1.7
71.08308	1.9
78.95895	3.3
80.30119	1.1
83.01396	12.3
90.16280	1.0
110.97607	1.0
111.00868	32.2
111.01997	100.0
111.04515	1.7
112.02351	3.1
112.04050	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	111.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	8.9
55.38534	1.6
57.39515	1.8
65.19125	1.5
67.01891	65.2
68.02212	3.8
70.25958	4.0
70.26349	4.0
70.55080	1.7
73.51070	1.5
78.95904	5.6
79.95763	1.8
80.26083	1.8
83.01391	24.5
83.05019	2.5
89.40991	2.0
94.90443	1.8
101.90477	1.6
110.97590	6.1
111.00883	100.0
111.01980	13.3
111.04518	4.6
112.01215	4.7
112.04098	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	1097.6782
Annotation	Unknow
Peak:m/z	Relative Intensity
76.11639	0.1
78.95903	16.9
78.98575	0.9
79.95726	1.8
80.96517	9.1
82.96088	0.2
83.04941	0.1
85.02959	0.4
87.00879	0.4
94.98084	2.4
96.96014	0.2
96.96960	0.4
96.97589	0.1
97.02944	0.2
98.20683	0.2
101.02435	0.2
106.98087	0.5
122.97581	0.4
122.98529	0.6
125.02460	0.5
134.97592	0.6
134.98488	0.2
136.99136	0.2
148.99133	1.1
149.99452	0.2
152.98570	0.8
152.99593	2.5
158.69363	0.1
164.98607	2.1
167.00201	0.2
168.04305	2.7
169.04716	0.1
194.05995	0.1
206.99666	0.4
224.06924	8.3
224.98662	0.2
225.00728	3.1
225.06992	0.2
226.01151	0.4
227.00294	0.1
242.07979	2.3
261.22232	0.5
277.21619	0.4
279.23273	92.4
280.23627	5.1
280.26721	0.3
299.04410	0.5
300.04636	0.2
415.22314	0.2
433.23163	0.1
475.67435	0.1
504.30948	100.0
505.31287	7.8
519.27411	0.8
539.32703	0.2
577.26849	15.4
578.27063	15.7
578.34875	2.1
579.27020	1.6
579.35144	0.2
765.80475	0.1
913.72174	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1100.6504
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95905	37.7
80.96507	5.0
87.00944	2.3
111.78438	1.9
112.99560	1.8
128.11916	1.8
152.99628	9.8
168.04320	4.3
176.08086	1.9
224.06940	11.4
225.07225	4.4
279.23273	100.0
280.23624	60.0
281.23877	23.9
282.24155	5.2
415.22369	2.1
433.23563	2.8
504.30960	90.0
505.31277	76.1
506.31534	54.4
507.31873	20.4
511.96252	1.8
544.97504	2.0
578.27020	3.2
579.26965	7.6
580.27045	8.7
580.35052	2.5
581.32208	92.0
582.32507	8.1
942.13080	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	1101.6714
Annotation	Unknow
Peak:m/z	Relative Intensity
78.68389	0.1
80.02660	0.4
81.03448	0.5
81.46036	0.2
83.01399	0.4
83.05025	2.0
84.02144	0.2
85.02949	0.6
87.00859	0.8
87.04534	0.2
89.02439	1.3
93.03437	0.2
95.01393	0.3
95.05056	0.3
97.02946	0.3
101.02438	3.1
113.02438	1.5
116.92848	0.4
119.03487	0.6
125.06054	0.3
125.09732	0.8
127.11302	1.3
133.05052	0.4
135.08130	0.3
137.09703	0.2
139.11247	0.2
143.03513	0.6
145.05055	0.5
145.57208	0.2
155.10748	0.6
157.05032	0.2
161.04561	1.5
163.11296	1.9
165.09178	0.6
165.12817	1.0
165.15784	0.2
171.10236	2.0
172.10619	0.2
179.05623	0.6
181.12355	0.4
183.10257	0.3
187.38469	0.2
191.10904	0.7
199.09724	0.6
201.11311	31.4
202.11646	0.8
207.10265	0.6
208.10570	0.2
209.11810	73.9
210.12141	2.5
225.11322	1.1
226.11652	0.5
227.12875	9.6
228.13188	0.4
233.22755	0.3
235.08208	9.6
236.08678	0.3
253.09259	12.5
254.09529	0.4
258.84769	0.2
259.20700	0.2
275.20029	0.3
277.21698	100.0
278.18933	0.4
278.22037	7.3
279.22455	0.3
333.78241	0.2
359.22250	38.3
360.22614	4.2
361.22787	0.7
405.17743	0.4
419.19211	1.7
427.19785	0.5
437.20203	2.4
438.20547	0.2
443.31479	1.4
445.20746	4.4
446.21628	0.2
461.32623	0.7
463.21799	0.4
513.30615	6.4
514.31183	0.6
679.40344	0.4
697.41547	3.0
698.42542	0.4
705.42731	0.7
722.41949	0.4
723.42383	0.9
1061.43225	0.2
1101.65930	1.3
1102.64746	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1092.6597
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	16.7
85.02957	0.9
87.00877	0.3
88.98796	0.2
89.94946	0.2
93.03466	0.7
96.96978	0.2
101.02427	0.3
127.19538	0.2
152.99580	2.9
164.91800	0.2
168.04300	3.1
189.05412	0.2
191.05600	4.4
192.05948	0.8
223.90800	0.2
224.06908	8.5
225.07126	0.3
242.07922	2.0
253.09270	1.2
261.22263	0.3
265.75116	0.2
277.21701	7.3
278.22052	0.5
279.23264	92.4
280.23605	5.0
433.23511	1.3
497.22919	0.2
504.30930	100.0
505.31235	6.5
519.27411	0.7
578.34729	2.7
681.97833	0.2
762.20331	0.2
868.46014	0.4
899.48425	0.3
900.48230	2.6
953.10962	0.2
1074.53845	0.2
1092.51392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1096.6016
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95903	4.1
78.98593	2.9
79.95734	6.2
80.96516	34.1
81.03454	0.3
83.01394	0.2
85.02952	1.2
87.00871	1.3
94.98087	8.2
95.01363	0.2
96.96025	0.8
97.02932	0.7
99.00899	0.2
99.04536	0.1
100.33002	0.1
101.02441	1.5
106.98080	1.5
108.28526	0.1
113.02459	0.1
120.99629	0.1
122.97585	2.1
122.98400	0.1
125.02447	1.7
127.04006	0.4
134.97581	2.5
136.99167	0.9
146.97510	0.2
148.99139	3.7
152.98598	3.4
152.99603	0.4
164.98628	7.4
167.00180	0.4
168.04330	0.7
175.06071	0.1
188.98647	0.3
206.99695	1.8
224.06931	2.0
225.00732	12.6
226.01077	0.3
229.24277	0.1
242.08096	0.5
277.21771	1.3
279.23276	22.6
299.04410	2.6
317.05548	0.2
350.18774	0.1
390.07776	0.1
504.30954	21.8
519.27106	0.3
572.40228	0.1
577.26837	100.0
578.27106	7.9
578.34735	0.6
1030.52563	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1096.6193
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95905	31.9
80.96303	1.7
82.69376	1.0
129.38782	1.2
152.99582	6.7
168.04285	4.5
171.81760	1.2
224.06941	9.2
225.07214	2.2
226.07446	1.3
242.08067	2.8
277.21695	74.6
278.22061	47.6
279.22372	16.5
280.22574	2.4
333.04520	1.3
335.71008	1.2
369.31183	1.2
413.20886	2.2
431.22018	2.3
502.29379	81.4
503.29752	65.1
504.30017	47.3
505.30365	17.8
506.30521	1.3
519.26434	1.3
579.30475	100.0
580.30756	9.5
1053.01624	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01401	1.2
84.02135	0.4
85.02952	19.2
87.00873	2.3
87.04482	0.4
89.02443	1.7
95.01391	2.7
97.02943	0.9
99.00898	1.9
99.04517	0.4
101.02454	2.9
111.00864	0.5
112.01645	0.7
113.02450	10.5
115.00382	0.5
115.04016	0.3
116.01149	1.2
117.01905	0.7
119.03483	0.8
129.01935	1.0
131.03519	1.5
143.03496	1.0
145.05020	0.3
157.01399	1.1
159.03015	0.4
161.04538	0.9
169.28935	0.3
175.02509	0.5
191.05571	0.4
200.04945	0.3
205.07217	0.9
217.81090	0.3
343.79013	0.3
367.12524	1.7
369.22995	0.3
407.33179	2.8
408.33521	0.3
425.34091	0.3
453.66412	0.3
471.34680	3.4
472.35080	0.7
525.35553	0.5
539.08221	0.3
569.34894	0.5
571.36237	0.9
585.37909	5.8
586.38220	0.9
601.37152	0.8
629.37000	1.2
647.37976	15.7
648.38342	1.8
1087.53247	100.0
1088.53552	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	1091.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03978	0.5
81.03458	1.9
83.05012	1.2
85.02951	6.6
87.00881	6.7
88.30337	0.4
89.20759	0.3
93.03456	50.2
93.63480	0.3
94.03793	0.7
95.01372	0.4
95.05001	0.7
99.00880	0.4
101.02428	0.5
105.03466	3.1
107.05009	0.8
108.02166	1.3
109.02959	3.4
111.00842	0.7
111.04523	4.5
113.02484	0.4
121.02940	1.2
122.03690	0.6
122.41858	0.3
123.04508	0.8
124.01669	2.0
125.02414	1.4
127.03978	1.8
129.01938	1.0
132.02155	2.3
133.01923	0.6
133.02960	20.2
134.03761	5.2
135.04521	40.2
136.04897	1.2
137.02429	3.1
139.04021	1.1
147.11093	0.3
149.02402	0.7
150.03206	1.9
151.03996	3.8
155.03471	1.2
160.01624	2.2
160.35414	0.3
161.02428	5.4
161.06065	0.4
162.02924	0.3
169.01460	0.3
171.02943	0.4
173.04536	10.2
174.04829	0.5
177.01894	5.7
178.02681	3.6
179.03490	7.8
180.03943	0.5
191.05603	46.4
192.05948	1.2
197.11816	0.4
209.11807	0.5
211.13403	0.9
215.05598	3.5
253.09344	0.4
283.13309	0.5
293.21054	0.5
307.08200	0.9
308.09085	1.3
309.14825	1.0
317.21182	1.4
327.16089	1.1
351.07135	6.1
352.07895	1.0
353.13852	1.5
371.14883	0.4
607.24463	0.6
855.45044	0.5
873.46265	0.9
881.44189	0.4
899.44336	13.4
900.44562	2.1
917.44739	2.3
939.11829	0.8
1073.49548	1.9
1091.50598	100.0
1092.50903	20.0
1092.74963	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1077.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
77.38758	0.8
81.03450	2.5
83.01390	0.9
83.05010	2.1
85.02953	14.4
85.62819	0.7
87.00870	10.1
93.03455	57.6
94.03825	0.9
97.02975	0.8
99.00856	1.1
105.03464	4.4
109.02950	4.0
111.04506	7.1
121.02946	1.1
123.04551	1.0
124.01653	1.4
127.04007	3.1
129.01945	0.9
132.02141	4.7
133.02954	31.0
134.03749	7.6
135.04518	26.9
137.02472	3.8
139.03996	1.7
140.39577	0.7
150.03224	1.1
151.04027	2.1
155.03494	3.1
159.04504	1.2
160.01631	3.0
161.02434	7.9
168.31981	0.7
173.04543	14.9
177.01929	9.0
178.02757	4.8
179.03485	6.7
191.05602	88.9
192.05916	2.3
195.46703	0.7
200.04788	0.7
207.47147	0.9
211.13388	0.8
215.05571	2.6
277.21686	3.1
279.23163	1.1
283.13434	1.2
299.16296	0.7
309.15100	1.4
325.14609	0.9
327.15900	1.6
351.07138	8.6
352.07666	1.2
353.13861	2.1
385.56064	0.8
393.10275	0.7
463.27863	0.7
505.31580	1.0
550.24750	0.8
607.24268	1.0
616.55463	0.8
774.63940	0.8
788.64594	0.8
823.44226	1.0
825.44934	0.8
841.47632	1.9
842.47943	0.9
867.45276	25.8
868.46240	3.6
885.46088	5.8
1059.51636	100.0
1060.51990	15.9
1077.52466	20.9
1078.53076	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	1085.7522
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02953	1.7
87.00887	0.8
89.02436	2.4
97.02960	5.7
97.06570	0.9
98.19952	0.8
101.02440	3.5
103.88206	0.5
105.31563	0.6
110.37550	0.5
111.08168	1.0
113.02447	1.4
116.92862	1.7
119.03540	0.8
127.07602	0.9
133.05034	0.6
137.09706	1.7
161.04573	2.0
171.10271	6.9
183.13860	1.8
185.11768	0.8
195.13918	1.2
197.11826	3.7
199.13464	0.6
209.15451	1.6
211.13374	1.5
221.11794	1.5
221.15485	0.8
223.17093	1.4
233.15443	2.4
235.08249	8.5
239.12598	0.7
251.16519	6.3
253.09277	15.9
273.18552	2.2
277.21713	100.0
278.22058	6.2
279.23279	50.6
280.23596	3.7
291.19681	19.8
292.19867	0.8
309.20706	68.4
310.21140	3.7
339.19846	0.6
513.30548	2.0
527.28406	2.0
545.29730	3.1
569.41974	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1073.6218
Annotation	Unknow
Peak:m/z	Relative Intensity
77.02067	1.7
78.09569	1.6
80.36779	1.7
85.02974	1.9
91.05544	2.7
99.04515	61.7
109.93993	1.6
111.04511	1.9
112.35730	2.0
121.06599	2.2
133.06577	2.4
135.04514	4.2
135.97917	2.3
143.04973	7.3
144.05814	4.3
145.06569	3.6
156.05774	4.2
157.06558	6.8
159.04561	3.9
159.08148	20.3
161.06087	3.1
169.06525	4.6
171.04478	4.3
171.08194	14.8
172.05226	2.4
173.05960	3.5
173.09839	2.6
175.07588	4.4
177.05548	6.5
183.08115	9.9
185.06061	5.6
185.09697	2.3
186.06862	7.1
187.03999	2.5
187.07567	7.1
189.09236	3.1
191.03731	2.1
191.05617	4.9
195.08151	7.1
197.06036	4.4
198.06828	6.8
201.05559	3.5
201.09186	29.9
203.07158	5.0
211.07678	2.9
213.09235	19.4
215.07133	10.7
227.07141	4.0
229.08765	2.8
231.10210	33.9
239.07117	9.2
245.08150	83.7
246.08556	3.4
247.09695	2.3
257.08167	43.3
258.08548	3.1
275.09235	89.1
276.09641	5.0
317.21182	100.0
318.21442	5.5
375.14435	2.9
468.16052	1.8
522.71802	1.9
625.34479	2.1
1073.48987	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	1075.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03445	1.9
83.05011	1.4
85.02954	5.3
87.00877	7.2
93.03458	45.6
94.03783	0.6
95.05032	0.9
99.00872	0.8
99.04525	1.4
105.03452	1.8
107.05056	0.5
108.02178	1.0
109.02941	2.9
111.04506	4.0
113.02470	0.4
117.03465	0.4
121.02940	1.0
123.00877	0.3
123.04534	0.8
124.01671	2.2
125.02462	1.1
126.03215	0.5
127.04008	1.1
129.01941	0.9
132.02161	2.2
133.02959	17.0
134.03770	4.8
135.04524	39.2
136.04875	0.8
137.02443	2.8
139.04002	0.6
145.51308	0.4
149.02388	0.4
150.03209	1.5
151.03998	3.3
155.03487	1.7
160.01671	2.0
160.91818	0.4
161.02438	4.1
161.06021	0.5
171.02921	0.4
173.04544	10.8
173.06038	0.6
177.00526	0.5
177.01944	4.9
178.02725	2.8
179.01900	0.5
179.03487	8.8
191.05603	40.0
192.05962	1.3
194.02098	0.4
211.13422	0.8
215.05588	2.8
293.21219	0.7
307.08221	1.0
308.08969	1.3
309.14774	0.7
317.21155	0.7
325.14481	0.5
327.16028	1.0
351.07144	6.0
352.07904	1.2
353.13907	0.9
444.28265	0.4
733.81635	0.4
753.54968	0.4
839.43738	0.5
857.47919	0.7
858.47260	0.4
883.44897	12.7
884.45935	1.8
901.46210	1.2
1057.51013	0.9
1075.51123	100.0
1076.51489	19.3
1076.75317	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.6667
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95918	0.1
95.29585	0.1
96.96004	0.3
99.04510	0.8
101.61066	0.1
116.92953	0.1
126.89012	0.1
131.32985	0.1
132.12706	0.1
132.13776	0.1
171.10263	1.5
177.06050	0.1
200.02882	0.1
235.08311	0.1
253.09232	0.1
277.21722	2.1
278.22028	0.1
299.20123	1.0
300.02640	0.2
300.20746	0.2
308.61938	0.1
315.05161	0.1
317.21295	0.2
332.20001	0.1
399.25372	100.0
400.25699	7.5
400.33493	0.1
498.72723	0.1
656.88837	0.1
1076.28210	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.667
Annotation	Unknow
Peak:m/z	Relative Intensity
78.17479	0.1
78.95932	0.1
88.05074	0.1
96.95988	0.3
98.20505	0.1
99.04525	0.9
99.92645	0.1
171.10268	1.8
172.10678	0.1
193.16035	0.1
220.27145	0.1
253.09286	0.2
277.21729	1.9
285.89972	0.1
299.20157	0.9
300.20883	0.2
317.21155	0.3
399.25378	100.0
400.25714	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	1069.6019
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95905	19.7
81.31065	0.2
92.19823	0.2
96.96972	0.3
98.20694	0.3
116.56923	0.2
118.09491	0.2
123.97679	0.2
152.99580	3.0
168.04312	3.7
211.60783	0.2
224.06924	9.5
233.22804	0.6
242.08011	2.0
243.08777	0.2
259.20767	0.5
275.19965	0.5
277.21707	74.5
278.22089	4.7
317.21262	1.4
502.29404	100.0
503.29733	9.0
552.28638	3.5
784.71423	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
74.24918	56.2
78.95914	69.0
80.96495	71.3
102.29879	53.3
116.04452	56.6
259.17340	69.4
264.94833	57.4
343.28601	100.0
378.81888	63.8
912.81396	70.1
914.61890	66.5
1017.23889	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1062.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
89.70014	61.9
93.60560	59.8
98.19823	100.0
106.66159	63.5
168.29106	67.7
177.30409	63.4
764.11627	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03996	0.5
77.41621	0.3
81.03459	2.2
83.05028	1.2
84.46786	0.3
85.02950	5.0
87.00875	8.6
93.03456	54.1
94.03805	0.8
94.13629	0.4
95.05038	0.7
97.02943	0.6
99.00871	0.7
99.04512	0.6
105.03461	2.2
107.05009	0.5
108.02197	1.0
109.02946	2.9
111.00925	0.4
111.04510	5.4
117.03485	0.5
121.02968	1.5
122.03739	0.7
124.01649	2.0
125.02425	1.3
127.03998	2.0
127.89918	0.4
129.01939	0.7
132.02168	2.0
133.01927	0.7
133.02954	18.5
134.03761	5.8
135.04521	45.2
136.04866	1.1
137.02460	2.4
139.04013	0.7
149.02441	0.5
150.03168	1.9
151.03993	3.7
155.03491	1.4
159.44124	0.3
160.01648	1.9
161.02414	3.8
162.03108	0.4
163.03989	0.5
173.04535	12.2
177.01932	6.0
178.02682	3.3
179.03493	10.3
179.04675	0.2
180.04021	0.3
181.05077	0.4
189.05576	0.6
191.05600	44.3
192.05901	0.6
200.04980	0.3
211.13419	0.6
215.05592	3.9
277.21698	1.1
307.08292	0.9
308.09027	2.6
309.15012	0.9
327.15906	1.1
351.07208	7.8
352.07791	2.2
353.13831	0.9
569.38287	0.4
607.23706	0.5
841.47797	0.7
867.45245	14.9
868.45648	2.8
885.46533	2.6
1041.50488	1.0
1059.51648	100.0
1060.51990	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.7351
Annotation	Unknow
Peak:m/z	Relative Intensity
78.34530	0.6
85.02956	0.9
85.98460	0.6
87.00890	1.3
89.02460	1.8
98.20610	0.8
101.02452	3.8
111.08176	2.8
113.02459	1.9
116.92683	0.5
131.66559	0.7
135.04550	0.7
145.05086	1.0
158.68025	0.6
161.04538	1.9
164.01422	0.6
169.12357	1.5
171.10281	1.5
174.78297	0.6
179.05644	1.1
191.05623	1.2
193.14240	0.5
195.13774	0.6
197.11833	17.8
199.13345	1.1
209.15460	2.7
211.13327	3.0
223.16971	1.1
225.14900	2.2
228.98117	0.6
233.15416	1.5
235.08257	10.3
240.39471	0.6
251.16531	2.8
253.09288	17.9
253.21745	17.2
253.24460	1.0
254.21962	0.8
263.20203	1.1
271.68369	0.6
273.18604	2.3
277.21716	100.0
278.22049	5.1
280.14862	0.6
291.19653	17.7
292.19937	0.9
309.20688	43.7
310.21094	2.0
342.77377	0.6
403.02432	0.7
428.82123	0.6
460.46420	0.7
527.28564	1.3
545.29645	1.7
707.19696	0.6
898.00287	0.6
982.64105	0.7
1036.27991	0.8
1059.51477	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0193
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
50.72435	0.7
59.01381	31.0
70.93332	1.5
72.99310	100.0
73.99638	2.6
75.00877	29.9
103.00351	1.5
105.01937	99.2
106.02293	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	1053.67
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02948	1.3
79.95737	1.0
83.05027	0.4
85.46313	0.2
92.45522	0.3
95.05009	0.5
95.95260	0.4
96.96012	9.3
98.20689	0.3
98.95606	2.3
126.99574	2.0
129.05585	0.6
131.03519	0.5
136.01637	0.3
137.09746	0.4
139.11287	20.5
140.11629	0.8
146.03723	0.7
151.03992	0.6
155.10759	0.3
163.11267	0.8
164.04759	0.5
165.09203	1.0
173.56906	0.3
179.07199	0.4
181.05032	0.6
181.12340	13.4
182.12672	0.4
183.10252	26.7
184.10558	0.9
190.99826	0.3
191.05576	0.5
199.13376	9.9
200.13730	0.4
207.10197	0.5
212.17679	0.2
225.11304	7.6
226.11589	0.3
236.02686	0.2
243.12354	54.7
244.12711	1.6
285.05042	0.2
295.78067	0.3
309.08313	0.2
326.07800	0.2
375.16568	100.0
376.16882	5.4
387.14395	1.0
437.09219	0.5
677.49414	0.4
844.48505	0.3
1053.31860	4.1
1054.32507	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
77.04021	0.7
78.95942	0.4
81.03452	2.0
83.05018	1.4
85.02946	7.9
87.00872	8.1
87.01675	0.4
89.03956	0.4
93.03456	59.5
94.03808	1.0
94.13618	0.3
95.05029	0.6
95.75813	0.3
98.20766	0.6
99.00885	0.7
99.04511	0.5
105.03447	3.4
108.02166	0.6
109.02940	2.3
111.00894	0.4
111.04520	5.8
115.04003	0.4
118.26883	0.3
121.02950	1.1
122.03656	0.4
123.04518	0.6
124.01682	1.5
125.02456	0.7
127.04005	1.7
129.01930	1.1
132.02187	3.0
133.02954	27.0
134.03769	5.1
135.04524	26.2
136.04872	0.7
137.02449	3.1
139.04005	1.1
149.02464	0.6
150.03218	1.3
151.04004	2.5
153.01984	0.5
155.03525	1.9
157.23689	0.3
160.01686	2.4
161.02423	4.4
161.06061	0.4
162.02994	0.4
167.94743	0.3
171.02972	0.7
173.04533	12.6
174.03206	0.6
174.04814	0.3
175.78534	0.3
175.85164	0.3
177.01921	8.9
178.02713	5.0
178.66692	0.3
179.03484	6.4
191.05598	55.5
192.05949	1.1
211.13371	1.2
215.05611	2.4
223.33466	0.3
224.59271	0.3
245.73506	0.3
277.21671	1.6
307.08215	0.7
308.08789	1.0
309.15073	1.1
325.14413	0.4
327.15927	1.2
351.07208	6.0
352.07788	0.8
353.13989	1.0
371.14929	0.6
604.12354	0.3
607.23413	0.6
817.39575	0.4
823.45374	0.5
841.47552	1.3
849.44116	0.7
867.45343	15.4
868.45844	3.0
885.47137	3.0
886.46051	0.6
1041.50696	0.9
1059.51648	100.0
1060.52014	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	1032.5383
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02938	0.2
85.02940	0.5
98.19868	0.6
101.02431	0.6
102.05605	37.0
103.05975	0.4
116.92841	0.7
128.03539	32.6
129.03897	0.4
146.04588	100.0
147.04938	1.6
191.05606	0.4
194.57617	0.2
207.14003	0.2
209.11815	0.5
229.59677	0.2
277.21918	0.4
335.08740	0.2
340.36612	0.2
397.13693	0.3
499.21121	0.2
619.69922	0.2
692.71613	0.2
1014.54034	0.4
1032.53943	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1032.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
71.67793	0.1
82.02966	0.4
84.04534	0.3
85.02925	0.4
96.95966	0.2
97.96386	0.1
100.04067	0.2
101.02459	0.4
102.05608	36.9
103.05947	0.5
115.79587	0.2
116.92855	0.4
127.05121	0.4
128.03539	30.5
129.03896	0.4
145.06200	2.1
146.04590	100.0
147.04935	1.1
191.05736	0.2
192.44243	0.2
209.11880	0.6
268.15515	0.2
293.88861	0.2
295.06775	0.2
388.15604	0.2
397.13629	0.4
476.00027	0.2
526.24683	0.2
597.31116	0.2
613.76068	0.2
944.52924	0.3
1014.49530	0.2
1032.54492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.558
Annotation	Unknow
Peak:m/z	Relative Intensity
72.55245	12.3
78.95892	38.9
116.92895	29.5
130.48511	12.5
135.04488	20.6
152.99591	34.7
209.27676	14.3
229.16933	15.4
255.23152	27.9
256.23706	16.3
277.21799	15.1
309.20862	17.5
346.62405	15.8
395.04959	14.5
696.56635	18.0
886.30731	17.1
1030.47925	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	1030.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95895	59.0
79.95733	12.6
98.19884	32.0
115.29884	11.6
116.92869	16.4
146.81920	13.0
152.99602	19.3
168.36028	12.9
186.10463	15.0
193.82437	14.1
429.62439	14.5
468.88394	13.7
608.81738	15.1
1030.48486	100.0
1031.52991	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	1031.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05045	0.2
85.02957	1.9
86.94354	0.2
87.04520	0.9
96.95987	0.7
97.02953	0.2
99.04520	0.4
101.02446	0.3
101.06108	0.3
107.75964	0.2
109.02985	0.3
113.02409	0.2
119.25320	0.2
121.02977	0.3
121.06595	0.2
122.03740	57.0
123.03996	1.7
124.05271	1.1
125.06089	0.4
134.03720	1.2
135.04488	0.7
136.05316	0.5
137.06081	0.4
145.05040	0.3
148.05325	0.6
149.06078	7.9
150.06830	0.7
151.07652	3.8
153.09215	1.9
153.22250	0.2
161.09639	0.8
162.06880	0.4
163.07640	0.7
163.11320	0.2
163.13960	0.2
164.04759	0.3
164.08438	0.2
165.05472	0.2
165.09131	0.3
173.09679	0.3
176.08357	1.1
177.09068	0.9
178.09982	0.7
179.10765	3.3
189.09177	0.4
190.10019	0.3
191.05672	0.3
191.09004	0.3
191.10773	7.0
192.11090	0.6
193.08723	0.2
207.10277	0.5
221.11931	0.4
231.13914	0.6
234.12622	0.2
248.14223	0.3
249.14980	3.0
250.15404	0.2
251.12982	0.8
252.13608	1.8
265.14432	7.0
266.15198	12.8
267.15994	100.0
268.16327	7.0
269.16550	0.7
293.17639	0.5
309.17139	0.3
353.08865	0.3
411.20242	10.6
412.20526	0.9
413.20779	0.2
429.21158	1.1
457.11725	0.3
471.22333	41.5
472.22760	4.4
473.23123	0.6
882.99432	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5841
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	21.1
78.95893	29.2
83.01401	3.1
85.02947	11.3
87.00864	5.5
89.02438	13.0
93.03452	8.0
95.01379	2.9
97.02953	6.7
98.20693	2.1
101.02450	16.5
113.02454	9.4
116.92847	6.2
119.03502	4.8
125.02413	6.7
127.28539	2.7
135.04491	7.2
137.09679	2.5
137.62518	2.4
142.83264	2.4
144.38504	2.2
152.99574	21.6
161.04517	6.5
171.00595	3.1
171.10207	10.8
179.03328	3.2
179.05551	5.9
181.12338	3.2
188.50858	2.5
191.05556	12.6
197.11812	11.8
207.13541	2.6
209.11800	2.5
209.15445	5.2
211.13391	7.4
215.22548	2.1
225.14906	6.5
233.15427	2.4
235.08162	7.3
251.16502	6.5
273.18747	2.8
277.19006	2.2
277.21686	48.9
287.07672	3.0
291.19611	22.0
301.21750	39.8
305.08704	4.4
309.20682	100.0
310.21152	4.0
323.10135	2.9
364.95059	2.9
379.12265	9.0
397.13489	62.2
415.14487	19.7
508.18216	2.9
620.75684	2.5
689.34290	3.7
707.34052	4.4
727.67767	2.4
791.25751	4.6
835.40198	5.8
1027.46790	47.8
1028.46667	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	1014.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
77.67390	30.1
80.96485	26.2
98.19886	100.0
229.66907	41.7
293.21094	30.1
294.21399	29.0
319.46100	37.4
505.23096	29.0
963.86719	30.1
1024.96716	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	1019.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95730	26.8
80.96496	0.3
95.95255	0.2
96.46075	0.1
96.96024	0.4
107.05009	0.1
114.56603	0.1
135.04518	6.5
136.04863	0.2
149.06030	0.1
152.42149	0.1
159.50412	0.1
161.06091	0.3
163.03998	54.2
164.04312	1.8
177.05566	0.4
178.06335	53.3
179.06685	2.0
193.08678	45.6
194.08981	1.7
258.02026	1.3
273.04358	100.0
274.04675	4.4
275.04086	0.2
515.24829	0.2
956.01428	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95731	25.7
80.96524	0.3
96.96001	0.7
118.07426	0.2
122.27092	0.2
124.37209	0.2
135.04509	5.9
135.24913	0.2
136.04794	0.3
149.06035	0.4
163.03998	55.0
164.04324	1.5
177.05533	0.3
178.06332	56.2
179.06671	2.3
193.08678	50.2
194.09003	1.5
229.17152	0.2
229.26016	0.3
258.01981	1.7
273.04358	100.0
274.04697	4.3
274.07654	0.4
275.03464	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.5711
Annotation	Unknow
Peak:m/z	Relative Intensity
71.99548	0.7
78.95905	22.0
85.02953	0.7
94.45631	0.7
96.96987	2.0
99.92599	2.2
109.18130	0.7
116.92878	9.7
127.25864	0.7
150.97919	0.9
152.11894	0.7
152.99597	31.3
165.98439	0.7
171.00650	0.8
191.05602	1.9
227.03224	2.3
229.85484	0.8
245.04291	0.8
277.21716	63.5
278.22095	3.1
293.21414	1.4
309.20700	1.6
356.88065	0.7
385.45828	0.7
397.13043	1.3
415.14511	1.0
505.25723	100.0
506.26071	7.3
820.45343	1.0
921.51685	1.0
1019.53070	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	1024.589
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	0.2
78.95901	22.7
83.05025	0.2
96.96957	1.7
134.98520	0.2
140.30540	0.2
150.98038	0.4
152.99579	30.2
153.99892	0.2
171.00591	1.2
191.05612	0.2
224.06813	0.2
227.03210	2.6
229.39157	0.2
233.22763	0.6
245.04221	0.9
259.20685	0.4
275.20172	0.4
277.21701	62.8
278.22058	3.7
279.23309	2.3
280.23508	0.9
411.42068	0.2
413.20837	0.4
504.31134	1.2
505.25684	100.0
506.26010	8.7
506.33633	0.3
1032.32153	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0244
Annotation	2-Methyl-3-oxopropanoate
Peak:m/z	Relative Intensity
54.51453	4.8
55.01883	29.3
55.40406	3.7
56.01240	3.9
57.03441	24.5
58.00582	5.8
59.01373	39.5
70.93831	5.7
70.94168	8.7
71.01380	23.7
71.46793	3.9
73.02951	56.2
73.25469	4.6
76.22231	3.8
81.73804	5.1
83.01369	9.5
100.23876	3.9
101.02439	100.0
102.02784	6.2
102.05606	52.5
114.28179	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	101.0245
Annotation	2-Methyl-3-oxopropanoate
Peak:m/z	Relative Intensity
55.01878	12.3
57.03450	19.9
58.00592	2.9
58.03785	1.0
59.01112	1.6
59.01382	21.8
69.58590	3.8
69.59007	1.4
71.01381	12.1
72.99304	2.4
73.02947	29.2
83.01395	2.9
84.04541	1.1
84.95129	3.5
87.38300	0.8
90.77218	0.8
98.19930	1.7
100.94614	100.0
100.95190	7.4
101.01389	1.1
101.02441	24.9
102.02756	0.9
102.05603	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	1011.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01408	0.2
75.62309	0.2
78.95901	25.5
96.96029	0.5
96.96956	2.0
98.20657	0.6
102.05601	2.5
102.85147	0.2
103.05953	0.3
107.18295	0.2
127.48209	0.2
128.03532	1.6
129.03920	0.3
131.25414	0.2
134.98590	0.3
146.03439	0.4
146.04594	6.7
147.04947	0.6
150.98062	0.4
152.99579	32.5
153.99933	0.4
162.11865	0.2
168.67950	0.2
171.00638	1.6
187.17964	0.2
191.05693	0.2
196.08797	0.2
227.03241	3.1
227.77077	0.2
229.28964	0.2
232.93242	0.2
233.22714	0.7
245.04161	1.1
259.20590	0.6
265.14859	0.2
275.20108	0.7
277.21704	72.8
278.22055	5.5
413.21060	0.8
448.63211	0.2
505.25705	100.0
506.26031	9.8
506.33643	0.3
884.17194	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.5896
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	21.0
73.02940	3.8
83.01406	3.9
85.02940	7.5
87.00879	5.8
89.02450	20.8
97.02938	3.8
101.02455	17.7
113.02428	7.6
119.03495	4.8
125.02421	10.2
137.87787	2.3
161.04544	3.1
179.05565	5.8
192.45955	2.3
229.10872	2.8
233.95325	2.5
235.08171	7.3
235.17052	15.7
272.10522	3.0
275.05505	2.6
275.20172	33.7
277.21689	66.1
278.22015	4.8
293.21228	100.0
294.21649	5.9
305.08701	3.1
311.16861	3.2
379.12476	15.0
397.13467	57.7
415.14362	15.3
438.16650	2.8
444.50388	2.6
453.43552	2.6
592.46558	3.1
639.38251	2.8
676.36719	3.1
707.46716	2.8
811.98956	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	997.6252
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07072	0.9
69.83617	0.6
70.06586	0.6
71.07381	4.5
71.51282	0.8
79.05501	1.0
81.07072	2.8
83.08612	0.5
86.09714	46.0
91.05494	0.9
93.07045	1.1
93.62297	0.7
95.08610	2.1
98.98461	3.0
104.10751	94.0
105.07030	0.5
107.08635	0.8
109.10197	0.8
119.08656	0.5
125.00021	28.2
163.01566	1.1
163.61104	0.5
184.07355	100.0
184.82487	0.5
185.07710	0.7
258.10999	0.7
337.27426	1.5
498.81577	0.4
502.32919	9.3
520.34045	97.0
521.34430	3.2
549.75201	0.5
645.63593	0.5
740.36829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.569
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	8.9
71.06868	1.0
71.07199	0.8
72.99290	0.7
73.02923	1.5
77.85490	0.7
81.03444	1.1
85.02948	6.7
85.14275	0.7
87.00879	2.2
89.02440	7.6
96.95996	0.7
97.02948	2.1
97.06582	1.1
101.02435	7.3
113.02453	4.1
119.03467	1.9
125.02419	3.1
125.09708	0.7
127.11310	0.9
137.09708	1.7
143.03442	1.8
143.13026	0.8
145.81487	0.8
155.10802	0.9
161.04544	1.8
167.14433	0.6
171.10254	19.4
172.47388	0.7
179.05574	4.4
183.13896	4.6
185.11562	0.8
191.05670	1.3
195.13908	3.9
201.11295	1.1
209.11739	1.2
211.13367	10.9
218.48309	0.8
221.06567	1.4
221.11783	1.9
223.13356	2.1
229.14461	6.3
235.08223	2.6
235.16934	1.1
239.12885	1.1
251.16534	1.1
275.20105	4.9
287.07791	1.1
291.19626	3.8
293.21225	40.7
294.21451	2.4
305.08673	1.0
309.20703	11.5
327.21744	100.0
328.22067	6.5
397.13467	20.9
397.18509	1.2
398.13663	1.4
415.14545	17.5
415.19852	1.2
416.14911	1.6
481.35760	0.8
502.48898	0.8
603.42407	3.8
617.82202	0.8
632.38495	0.8
691.35657	1.8
707.34650	8.5
725.35968	9.1
726.36389	0.9
1001.55829	1.4
1028.01379	0.9
1030.21082	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.5394
Annotation	Unknow
Peak:m/z	Relative Intensity
70.46729	2.2
71.01385	4.6
89.02438	5.0
97.33735	2.9
101.02438	4.1
105.36564	2.5
171.10234	4.9
179.05592	3.0
197.11780	33.8
209.97142	3.0
235.08240	6.0
253.09084	3.4
273.18646	3.1
277.21716	100.0
278.22018	7.1
287.08112	3.2
291.19662	13.1
309.20700	63.8
310.21054	4.4
362.28027	2.6
379.12268	4.2
397.13452	34.5
415.14349	9.9
415.19345	3.2
416.14590	2.8
494.83328	3.0
675.35358	3.4
689.33539	5.8
1003.53827	35.3
1004.54407	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	991.5606
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	2.6
69.07077	0.9
69.70300	0.6
69.70708	0.6
71.01343	0.5
71.05004	0.5
73.02918	2.9
73.32006	0.3
77.90003	0.3
79.05486	2.7
81.03413	1.3
81.07056	3.1
83.04970	0.3
83.08633	0.5
85.02907	4.2
87.04465	0.3
91.03967	2.6
91.05470	1.6
93.07043	2.6
95.05001	0.6
95.08611	1.8
97.02893	4.6
97.06554	0.3
98.20850	0.5
99.04478	0.8
101.02386	1.2
105.07043	1.5
107.08613	1.4
109.02892	0.6
109.10182	0.7
115.04007	0.2
117.07015	0.7
119.08611	1.0
121.10182	0.8
121.72235	0.2
125.09641	0.2
127.03914	1.3
131.08565	0.6
133.10170	0.7
135.08167	0.2
135.11720	0.8
145.04924	0.2
145.10225	0.4
147.08183	0.3
147.11737	0.3
149.89522	0.2
157.10062	0.2
159.11691	0.4
185.04312	0.7
203.05377	0.7
243.08408	1.9
270.95691	0.2
290.90530	0.2
333.20517	0.8
335.26028	0.5
336.26340	0.4
347.09546	1.8
363.09277	0.7
365.10730	0.8
389.22995	0.3
405.13647	5.1
405.18527	0.3
406.14078	0.3
439.19415	0.7
453.20786	1.1
479.82120	0.2
519.29425	3.4
551.28326	3.5
601.24969	0.3
615.26331	0.6
681.34534	3.8
682.34241	0.3
683.35602	0.3
713.33612	3.5
829.50873	0.9
893.47961	1.1
991.55951	100.0
992.56567	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	991.5609
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	2.7
69.07081	0.5
71.01357	0.5
71.05003	0.5
71.50957	0.3
72.69757	0.2
73.02920	2.8
79.05494	2.2
81.03409	1.6
81.07059	2.7
83.04997	0.4
83.08614	0.5
85.02904	4.0
85.06561	0.2
88.08825	0.2
91.03962	2.3
91.05490	1.8
93.07042	2.4
95.05001	0.6
95.08614	1.9
97.02892	3.7
97.03430	0.3
97.10206	0.3
99.04485	0.6
101.02383	1.4
103.03977	0.3
105.07050	1.1
105.76604	0.2
107.08578	1.0
109.02921	0.7
109.06570	0.3
109.10200	0.7
111.08093	0.2
115.03931	0.4
117.07031	0.2
119.08636	0.7
121.10207	0.6
123.11726	0.3
127.03942	1.0
127.11222	0.2
131.08644	0.7
133.10201	0.6
135.11720	0.5
145.05017	0.4
145.10207	0.6
147.11771	0.5
159.11804	0.5
185.04266	1.0
193.71613	0.2
201.03752	0.4
203.05360	0.5
243.08391	2.2
243.10320	0.2
249.12743	0.2
301.09137	0.3
333.20447	1.2
335.25992	0.6
347.09445	2.2
363.09225	0.7
365.10605	0.9
389.23361	0.3
405.13693	4.9
405.18567	0.3
469.20624	0.2
475.14481	0.3
477.16330	0.3
519.29340	3.5
551.28143	2.5
653.70380	0.2
681.34515	4.8
713.33551	2.7
794.52258	0.3
829.50623	0.7
991.56055	100.0
992.56390	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	993.5937
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07104	0.5
71.07382	6.0
71.09184	0.6
71.09511	0.8
73.76261	0.5
79.05495	2.6
81.07059	2.3
81.37540	0.4
86.09708	51.6
91.05475	1.1
93.07037	2.5
95.08604	1.9
98.98479	3.8
104.10745	100.0
105.07006	0.5
105.11032	0.9
107.08593	0.7
109.10117	0.5
121.06534	0.4
121.10144	0.6
125.00007	28.7
131.34801	0.4
133.10117	0.5
163.01540	1.1
184.07344	99.1
185.07710	0.6
226.48891	0.5
258.10959	0.9
308.25259	0.6
334.23828	0.8
335.25851	0.8
383.77780	0.4
483.66916	0.5
500.31381	10.2
518.32446	98.9
519.32928	2.8
608.67505	0.5
993.58557	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.5451
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	2.0
69.07082	1.2
70.39869	0.4
71.05002	0.4
71.52187	0.5
72.85622	0.4
73.02914	2.2
74.82088	0.3
79.05487	1.8
81.03416	1.8
81.07075	2.5
83.04996	0.8
85.02908	3.4
87.04543	0.4
91.03972	1.7
91.05505	1.7
93.07030	2.0
95.05006	0.6
95.08619	2.2
97.02882	3.7
97.06600	0.4
99.04496	0.8
101.02402	0.9
105.07080	1.2
107.08616	1.6
108.64270	0.4
109.02921	1.4
109.10162	1.0
116.04327	0.4
117.07030	0.5
119.08582	0.8
121.10171	0.7
125.09650	0.8
127.03949	1.2
131.08694	0.4
133.10100	0.9
149.13440	0.4
160.36967	0.4
161.09619	0.5
183.15114	0.4
185.04288	1.1
194.27252	0.4
203.05350	0.9
223.13432	0.7
225.11304	0.7
243.08339	2.1
291.19684	1.1
335.26114	1.4
336.26172	0.6
347.09775	1.7
363.09174	0.8
365.10468	0.6
387.21616	0.7
405.13608	4.6
519.29419	2.7
549.26727	3.4
593.48883	0.4
681.34631	4.0
711.31866	3.0
770.28973	0.5
827.49628	0.5
989.54468	100.0
990.54944	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	990.5642
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03088	1.4
69.03436	16.3
69.07075	6.5
70.06608	6.2
71.04982	3.5
71.50137	1.2
71.50587	0.8
73.02927	6.2
74.39554	0.8
77.03920	1.0
79.05495	25.2
80.05017	2.8
81.03428	20.9
81.07066	30.8
82.06580	1.9
82.07386	0.9
83.04993	6.0
83.08623	9.5
84.04507	7.3
84.08126	3.8
85.02910	16.7
85.06528	1.3
86.06075	55.4
86.09734	1.1
87.04476	26.4
91.03957	7.1
91.05479	19.1
93.07048	28.5
94.06552	2.5
95.04981	9.7
95.08609	23.8
96.08115	2.9
97.02901	14.7
97.06522	6.0
97.10153	1.5
98.06062	45.8
99.04429	1.3
101.02392	1.5
102.05561	1.6
104.07109	28.4
105.07022	10.7
107.04926	1.7
107.08604	10.2
109.02938	1.2
109.06523	1.6
109.10165	9.1
110.06064	1.2
110.09674	1.5
111.08075	2.3
112.07623	16.1
114.05530	0.9
115.03921	1.0
117.07023	2.5
119.08590	7.5
121.06503	1.5
121.10154	15.8
123.04438	1.3
123.08047	2.1
123.11705	3.6
124.07583	4.2
125.09619	1.8
126.05541	7.6
126.09152	2.0
127.03918	3.4
129.06976	2.3
131.08598	9.2
133.06509	1.5
133.10138	6.9
135.08041	1.4
135.11685	5.2
136.07576	1.0
137.13272	1.3
138.09126	1.7
138.12750	2.6
139.11176	1.9
140.07033	4.5
142.08646	3.9
145.04982	1.8
145.10135	2.7
147.11705	5.8
148.07568	3.6
149.09633	33.5
149.13242	3.6
151.11208	1.3
154.08638	3.6
157.10139	2.7
158.08171	9.2
159.11710	3.2
161.13280	1.6
163.05914	1.5
163.14757	1.4
165.12772	2.8
166.08620	1.1
166.12289	3.0
167.10684	1.9
173.13312	1.4
175.11220	4.8
177.12755	2.4
184.13327	3.3
187.14896	1.1
192.13753	1.0
193.12271	9.6
195.13831	1.7
206.15410	4.2
210.14886	6.3
211.13275	2.6
212.16498	1.2
224.16435	5.9
227.12880	1.5
228.15993	1.2
234.14862	3.5
240.15961	1.0
243.21112	2.0
250.18053	5.0
252.15970	20.1
260.16495	7.0
261.22162	4.9
267.15936	30.1
268.16422	1.2
268.19034	3.9
270.17075	2.8
278.17569	12.2
285.16794	1.0
293.05942	0.9
296.18585	7.2
314.19589	3.8
326.19565	2.4
335.25839	34.3
344.20724	5.3
352.21274	1.0
352.73889	1.0
362.21667	3.0
370.22250	6.5
388.23193	4.2
403.25357	1.0
527.37415	13.5
545.38391	12.1
599.17413	0.9
604.42230	5.9
622.43170	46.6
623.42535	1.2
630.43121	2.8
648.44739	100.0
649.44788	6.2
732.46185	1.2
766.46899	2.5
784.33728	1.5
784.48328	18.8
785.48676	1.5
792.48779	1.6
810.49957	49.9
811.49792	2.8
828.50665	1.5
928.52399	1.2
946.53998	1.9
954.54828	1.5
972.55353	50.8
973.54565	3.1
990.59973	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	986.6053
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	6.9
69.07073	25.3
69.17106	5.8
69.17534	4.4
71.04987	4.1
73.02911	3.4
77.03920	1.8
79.05499	73.1
81.03429	10.6
81.07063	96.1
83.04992	9.0
83.08624	13.2
85.02916	14.4
85.06550	3.8
91.03970	5.7
91.04893	2.0
91.05486	60.6
93.07050	86.1
95.04980	11.7
95.08611	62.7
97.02903	11.3
97.06540	12.7
97.10172	6.7
99.04453	3.1
99.08077	1.6
101.82413	1.0
103.05514	1.4
105.04537	2.5
105.07040	44.5
107.04991	5.2
107.08604	47.8
109.02886	1.9
109.05911	1.0
109.06504	5.8
109.10167	27.0
111.04514	1.1
111.08086	6.3
113.09673	1.5
115.05479	3.0
116.06277	1.1
117.06230	1.8
117.07025	23.0
119.08589	37.3
121.06514	3.4
121.10150	32.2
123.08078	3.7
123.11717	6.1
125.09668	4.8
127.03928	3.6
128.06236	2.6
129.05533	2.1
129.07007	10.0
130.07805	1.0
131.08578	28.1
133.06467	2.5
133.10152	27.3
135.08090	4.3
135.11699	18.5
137.09621	4.5
137.13235	1.2
139.11154	1.3
141.06987	2.8
142.07831	1.9
143.08548	8.4
145.04889	2.0
145.10139	23.0
147.08081	1.4
147.11699	17.7
149.09636	8.1
149.13280	10.4
151.11189	1.3
153.09059	1.3
155.08542	3.6
157.10146	9.7
159.08191	1.2
159.11690	17.9
161.09619	1.8
161.13274	9.4
163.11198	4.4
163.14828	4.6
169.10135	3.8
171.10457	1.0
171.11699	5.5
173.04475	3.2
173.11900	1.8
173.13284	10.8
175.11247	2.4
175.14810	4.0
176.22964	1.0
177.12814	2.9
178.07901	0.9
179.14342	1.2
181.10172	1.6
183.11700	3.0
185.13300	8.0
187.14868	2.8
189.11221	1.6
189.12762	1.7
189.16397	2.6
195.11790	2.3
195.13838	3.3
197.13284	3.1
199.14828	4.3
200.80978	1.1
201.16418	3.0
203.14388	3.8
209.13274	1.6
209.96585	1.0
211.14879	1.5
215.94405	1.1
217.15964	3.2
219.17465	4.3
227.12837	4.6
229.14310	5.8
229.19556	1.5
235.16951	3.1
239.17960	4.3
243.21214	4.0
247.20827	1.9
253.18089	1.5
255.15779	4.7
257.19000	10.4
259.20569	3.6
261.22168	12.2
267.15814	2.0
269.17490	17.2
275.20090	27.8
276.20181	1.1
277.21680	1.8
283.19031	1.2
291.19510	2.1
293.21304	2.9
309.20682	12.3
317.24728	3.2
331.22763	3.3
333.24271	2.7
335.25833	100.0
336.26236	3.8
342.77191	1.1
349.23746	29.6
351.25000	1.2
367.24771	2.3
388.91400	1.1
392.66547	1.2
413.21317	1.3
477.36856	1.7
489.35721	6.8
515.37372	7.4
529.38953	52.2
530.39313	2.7
543.40234	2.0
547.40063	1.1
553.42590	1.9
555.40656	1.2
569.42065	43.1
570.42316	2.7
609.45172	36.4
610.45477	1.8
627.46429	12.1
673.43787	2.1
771.49890	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.5447
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	2.2
69.07074	1.0
70.37170	0.3
71.04996	0.5
71.51266	0.5
71.89320	0.3
73.02923	2.2
79.05496	2.3
79.35736	0.3
79.52606	0.3
81.03410	1.7
81.07059	3.0
83.08623	0.6
85.02911	3.6
91.03957	2.3
91.05489	1.9
93.07048	2.5
95.04954	0.4
95.08596	2.1
97.02888	4.3
97.10171	0.4
99.04479	0.6
101.02396	1.1
105.07067	1.2
107.08624	1.7
109.02935	1.1
109.10186	1.0
115.04015	0.5
117.07047	0.8
119.08613	0.7
121.10152	1.0
125.09657	0.5
127.03934	1.3
131.08598	0.6
133.10152	0.7
135.11719	0.7
145.43555	0.3
147.11703	0.4
159.11751	0.4
161.13312	0.4
185.04198	0.8
203.05325	0.6
220.65057	0.4
243.08533	1.5
281.13828	0.4
291.19598	0.7
331.18887	0.8
331.22644	0.4
335.25696	1.7
336.26297	0.9
337.57532	0.4
347.09344	1.8
351.38962	0.4
363.09164	0.6
365.10648	0.9
365.59033	0.4
387.21710	0.4
405.13718	6.3
519.29364	4.0
549.26727	2.4
681.34564	5.8
711.31580	1.8
788.97699	0.4
827.49719	1.0
989.54486	100.0
990.54730	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	984.5902
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	7.1
69.07076	21.9
71.04947	2.1
73.02882	1.3
79.05500	35.5
81.03429	5.0
81.07064	40.6
83.04982	3.2
83.08626	7.6
85.02917	4.8
85.06506	1.4
87.04430	0.6
91.03926	1.6
91.05489	25.9
93.07053	37.8
95.04974	7.0
95.08616	31.4
97.02901	10.7
97.06534	4.2
97.10181	12.1
99.04424	0.6
103.05443	1.1
105.04488	1.7
105.07040	17.7
107.04958	5.2
107.08607	21.7
109.02856	0.6
109.06530	3.2
109.10170	15.6
111.08035	2.1
115.05398	1.3
117.07027	8.3
119.04919	0.7
119.07835	1.1
119.08597	15.1
121.06523	3.5
121.09349	0.9
121.10154	12.9
123.04385	0.7
123.08102	4.0
123.11734	3.0
125.09639	6.8
127.03857	1.0
127.07550	0.6
128.06221	1.3
129.07008	3.5
129.50574	0.5
130.07761	0.7
131.08588	12.3
133.06445	2.4
133.10149	9.2
134.07220	0.8
135.08022	2.2
135.10846	0.6
135.11705	7.9
137.09639	3.0
137.13266	0.8
141.06949	0.9
142.07706	0.6
143.08562	3.3
144.09315	0.8
145.06503	0.9
145.10136	8.7
147.08049	4.1
147.11682	5.3
149.09607	1.5
149.12419	0.5
149.13277	5.1
151.11208	0.6
153.09042	1.0
155.08507	0.8
157.10098	2.3
159.08035	1.1
159.11688	5.5
161.09654	2.6
161.13194	2.0
163.11122	1.3
163.14789	2.0
165.09143	1.4
165.12759	0.7
166.23161	0.6
169.10155	0.7
169.12244	0.6
171.10281	0.6
171.11678	1.9
173.13260	2.5
175.11157	1.6
175.14853	1.3
177.12730	1.1
183.11650	0.6
187.14760	0.9
189.11209	3.2
193.12131	0.6
195.13724	0.8
197.13217	0.8
197.28033	0.6
201.16418	0.7
205.12172	1.6
211.13167	0.7
223.13318	15.3
227.12798	2.9
227.17989	0.8
229.14549	0.7
229.16927	0.5
231.17583	0.6
243.21083	2.6
245.19049	0.9
249.14925	2.6
255.17436	0.8
260.45782	0.6
261.22168	7.7
263.20111	1.3
267.15884	0.9
273.18518	10.7
275.20166	1.1
291.19574	82.8
292.19928	1.1
317.24805	2.7
335.25836	75.1
336.26196	1.8
347.21957	2.6
365.23260	43.5
366.23575	1.3
447.26895	0.6
505.35596	1.1
527.37183	0.8
533.39868	0.9
545.38483	4.7
607.43549	2.9
625.44720	100.0
626.44904	5.4
643.46069	0.7
689.41547	0.7
769.49597	0.7
981.73566	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.6305
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07054	8.3
73.02913	2.4
79.05131	2.8
79.05502	27.8
81.07059	43.9
82.43585	2.4
83.08620	6.7
85.02908	10.7
91.03967	6.1
91.05484	18.6
93.07047	32.4
95.08614	40.7
95.09196	4.6
97.02898	8.0
97.10195	3.2
105.07027	13.4
107.08582	22.4
109.10163	16.4
109.60076	2.3
117.07035	3.2
119.08575	13.7
121.10149	15.4
123.11686	6.8
127.03881	2.8
131.08574	9.9
133.10129	11.3
135.11693	7.4
145.04942	4.9
145.10075	12.1
147.11700	10.6
149.13264	9.6
159.11702	9.5
161.13275	7.4
163.06030	5.5
163.14783	4.1
173.13304	8.4
185.13255	3.6
206.10220	6.1
241.19545	3.9
243.21039	5.5
259.20523	6.5
261.22137	17.1
263.23447	2.6
303.68628	2.6
317.24817	2.6
333.24200	8.3
335.25815	100.0
337.27399	13.0
521.43414	2.8
543.40833	3.0
595.47302	14.4
613.48340	22.3
885.12335	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5896
Annotation	Unknow
Peak:m/z	Relative Intensity
68.38428	0.5
69.03433	7.2
69.07074	19.7
69.07423	0.8
69.74023	2.1
69.74437	0.9
71.04955	1.4
73.02889	1.2
77.03899	0.6
79.05495	30.6
80.05804	0.5
80.06248	0.5
81.03423	5.2
81.07056	31.7
83.04977	3.3
83.08617	9.0
85.02905	3.5
85.06500	1.3
91.03918	1.9
91.05481	21.5
93.07048	27.7
94.04179	0.5
95.04984	7.0
95.08607	24.8
97.02892	9.4
97.06525	3.8
97.10180	10.8
98.20815	0.7
99.08064	0.9
103.05465	0.8
105.04489	1.2
105.06308	0.6
105.07033	15.2
107.04963	5.4
107.08597	18.4
109.02865	0.4
109.06522	2.9
109.10164	12.2
111.08037	1.9
115.05420	1.2
117.07023	7.6
119.04940	1.2
119.05887	0.4
119.08590	13.5
120.05680	0.6
121.06496	3.1
121.09359	0.7
121.10149	10.7
123.04388	0.6
123.08090	2.5
123.11727	2.6
125.09635	6.8
127.03872	0.6
128.06152	0.9
129.06985	3.2
130.07785	1.4
131.08580	11.0
133.06473	2.8
133.10147	6.7
134.07292	0.5
135.08011	2.2
135.11694	5.8
137.09576	1.7
137.13235	0.9
139.11127	0.5
143.08574	3.0
145.04874	1.1
145.06447	0.9
145.10132	7.9
147.08049	4.8
147.11705	4.8
149.09586	1.0
149.13280	4.1
151.11200	0.9
153.09068	1.0
155.08540	0.8
157.10095	2.0
159.11699	4.4
161.09630	2.5
161.13290	2.3
163.06064	1.0
163.11064	0.9
163.14771	1.2
165.09100	1.4
165.12703	0.7
169.10146	0.7
169.12273	0.7
171.10289	0.9
171.11710	2.0
173.11858	0.6
173.13235	2.2
175.11104	2.1
175.14830	0.7
177.12688	1.0
183.11649	0.6
185.13307	1.0
187.11009	0.6
187.14796	1.6
189.11235	4.0
193.12201	1.4
195.13722	0.8
199.11023	0.6
199.14728	0.5
201.16296	0.8
205.12221	1.4
211.13274	0.9
221.11592	0.6
223.13278	15.5
227.12747	4.5
243.21063	2.0
245.18965	1.6
249.14874	2.2
255.17461	1.5
259.20587	0.7
261.22134	8.1
263.20047	0.9
267.15967	1.0
273.18503	13.2
291.19547	100.0
292.19662	2.6
317.24792	2.8
335.25815	67.4
336.26083	1.5
347.22122	2.5
360.15347	0.5
365.23245	60.4
366.23364	1.3
429.20895	0.6
511.55231	0.6
527.37177	1.1
545.38586	4.7
551.41156	0.6
607.43842	2.7
625.44641	82.6
626.44867	3.0
643.46094	0.8
787.49042	0.7
941.23944	0.6
985.57904	0.9
1020.88574	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5654
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	2.7
69.07082	0.9
70.47063	0.3
70.81143	0.5
70.81482	0.5
71.04991	0.3
73.02915	3.0
79.05501	2.7
80.99311	0.3
81.03442	1.1
81.07066	2.6
85.02909	5.5
91.03961	2.8
91.05479	2.1
93.07048	2.8
95.04994	0.4
95.08604	1.9
97.02888	4.9
99.04484	0.8
101.02401	1.4
103.03934	0.3
105.07053	1.8
107.08598	1.2
109.02878	0.7
109.10178	0.9
117.07009	0.3
119.08590	0.9
121.10174	1.2
127.03934	1.3
127.11220	0.7
129.05479	0.4
131.08618	0.6
133.10152	1.0
135.11697	0.5
145.10147	0.5
147.11789	0.5
159.11752	0.4
169.10338	0.3
185.04300	1.0
203.05365	0.9
243.08475	1.8
259.08054	0.4
317.20901	0.4
335.25873	0.7
336.26495	0.4
347.09503	3.0
363.09268	1.2
365.10782	0.8
405.13660	5.5
444.15308	0.4
463.14526	0.6
519.29315	4.8
535.28699	2.0
681.34613	6.0
697.34448	2.7
753.37775	0.6
781.63428	0.3
798.89008	0.3
813.50653	0.8
932.72571	0.4
975.56543	100.0
976.57031	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	974.6206
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	1.6
69.07069	10.4
70.63661	1.7
70.64016	1.6
71.05000	15.2
73.90701	1.0
79.05068	2.2
79.05500	27.7
81.03419	1.1
81.07064	40.0
83.04997	3.4
83.08625	8.7
84.74598	1.0
85.06540	1.2
91.05485	21.3
91.06022	1.6
93.07049	32.9
95.04993	2.8
95.08613	28.2
97.10162	5.2
105.04545	1.4
105.07031	13.1
107.08599	18.5
109.06499	1.3
109.10161	23.7
111.08074	1.3
117.07014	3.3
119.08594	9.4
121.06493	1.6
121.10129	13.6
123.11754	2.8
125.09670	2.5
127.11202	48.3
129.06927	1.5
131.08556	5.2
133.10133	6.5
135.08067	2.9
135.11684	6.4
137.06010	3.1
143.08582	2.0
145.06534	1.9
145.10143	5.3
147.08028	8.1
147.11678	2.5
149.13263	3.3
157.10214	2.5
159.08086	5.7
159.11682	3.1
161.05981	18.5
161.07275	1.5
161.09668	2.5
161.13261	2.2
163.07588	3.4
169.10126	2.3
171.08063	5.5
171.11670	1.3
172.08784	1.6
173.09633	20.2
173.13271	1.1
175.07579	10.2
175.11266	2.4
177.09103	2.1
183.08113	1.9
185.06136	1.1
185.09648	11.3
186.10432	1.2
187.07578	15.1
187.11171	5.4
187.14853	1.5
189.09128	12.5
191.10670	1.2
197.09666	3.0
199.07576	4.5
199.11180	5.7
200.08289	1.9
201.09113	14.8
201.12750	1.5
203.10698	3.4
209.09593	2.0
211.07574	3.1
211.11136	2.6
213.09137	21.9
213.11023	1.7
213.12753	3.1
214.09767	1.2
215.10593	5.8
215.14264	1.1
223.11188	1.6
225.09146	5.6
226.10066	1.7
227.10838	7.0
227.14236	2.1
228.11525	1.3
229.12276	2.5
229.15807	1.2
237.12733	1.2
239.10721	3.1
240.11429	1.6
241.12273	1.2
243.10204	1.4
253.12259	2.2
253.15767	1.7
255.13875	3.0
259.20682	1.2
261.22186	5.0
269.15445	5.2
271.16937	7.0
273.14948	4.8
281.15295	2.0
283.16977	1.7
287.16440	10.3
297.18552	7.2
299.16498	6.7
301.17926	2.1
303.16028	1.2
311.16653	2.0
311.20093	4.5
313.18008	2.5
317.17511	14.1
325.18027	23.8
327.19324	5.0
329.17578	1.4
335.25830	91.9
336.26062	2.2
337.27408	1.8
338.18875	1.7
339.19592	18.5
343.19070	30.0
343.23294	1.6
351.19647	1.4
352.20370	1.8
353.21118	2.2
353.24957	2.0
355.18958	2.3
357.20471	4.7
366.21671	1.5
369.20453	2.6
379.22693	3.7
381.24286	63.7
399.25366	100.0
400.25385	2.4
407.25732	4.0
425.26877	13.3
427.28271	2.7
437.26846	6.0
443.27808	3.4
455.27921	18.6
473.29080	14.3
481.29654	2.0
499.30466	10.1
517.31696	20.6
641.45581	2.3
659.46155	2.4
669.94440	1.1
677.43860	2.6
715.49384	6.7
733.50446	70.7
734.50275	3.6
759.51868	7.9
777.53064	37.3
778.52655	2.2
935.07996	1.3
975.54089	1.8
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
67.05505	29.0
69.07069	7.1
69.15746	5.8
69.16171	2.7
71.04981	0.9
79.05494	27.9
81.03415	2.0
81.07060	29.6
83.04980	2.1
83.08611	4.3
85.02923	1.9
85.06533	3.5
91.05479	30.3
93.07044	32.3
95.04958	3.6
95.08609	22.0
97.06526	1.9
97.10163	1.8
98.21510	2.0
99.04446	2.1
105.07033	20.7
107.04933	3.8
107.08600	16.0
109.06520	3.4
109.10159	8.1
111.08089	1.7
117.07015	10.2
119.08587	18.7
121.06503	1.7
121.10139	11.7
123.08064	2.1
123.11701	1.6
129.07013	2.7
131.08582	15.9
133.10124	10.7
135.08110	0.9
135.11697	7.6
137.09602	2.5
137.13216	0.8
143.08539	2.2
145.10124	9.2
147.11716	4.6
149.09625	1.6
149.13234	1.8
153.12701	1.2
157.10156	1.4
159.11684	5.5
161.13228	2.8
163.11078	1.0
167.08472	0.8
173.13298	2.3
175.14896	1.3
177.12709	1.1
183.54311	0.9
185.13266	2.6
201.16415	4.3
203.14351	2.9
219.17444	100.0
220.17830	2.5
257.18985	0.9
275.20078	12.7
293.20941	1.8
315.42108	1.0
335.25806	51.6
336.26105	2.1
349.23679	16.2
543.40387	1.4
609.45111	96.2
610.45782	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	970.6105
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	4.9
69.07070	21.9
70.80717	4.0
71.04990	4.0
73.02923	4.5
79.05499	71.5
81.03428	4.7
81.07061	84.4
83.04997	3.9
83.08622	13.6
85.02908	15.8
85.06534	3.7
90.21255	1.6
91.03967	12.0
91.05486	69.2
93.07049	83.1
95.04967	7.6
95.08617	59.1
97.02874	8.4
97.06535	5.9
97.10187	5.6
103.05477	2.8
105.04504	2.4
105.07040	72.9
107.08604	48.6
109.06532	3.7
109.10170	27.9
111.08070	2.4
111.11642	2.4
115.05446	3.0
116.06223	2.0
117.07029	24.2
119.08600	53.2
121.06501	2.1
121.10154	40.9
123.08080	2.8
123.11738	7.9
127.03938	4.4
128.06255	5.2
129.07002	11.4
130.06258	1.8
131.08586	32.8
133.10144	49.9
135.08069	2.5
135.11711	29.4
137.13246	2.5
141.07013	2.3
143.08574	12.1
145.04985	5.7
145.10135	32.9
147.11699	45.2
147.12817	3.7
149.09587	4.8
149.13277	13.3
151.11226	2.5
155.08597	3.5
157.10161	13.6
159.11702	32.6
159.12894	3.2
161.09627	2.2
161.13269	25.9
163.06055	8.5
163.11179	2.5
163.14857	4.1
169.10188	3.7
171.11725	16.0
173.13268	19.3
175.14793	14.9
183.11716	2.1
184.07378	3.6
185.13229	13.1
187.14865	7.6
189.16295	2.9
197.13277	2.6
199.14761	8.9
201.16391	3.4
203.17876	1.8
213.16475	4.1
215.17990	3.2
217.19582	2.8
229.19405	1.8
231.21078	7.7
239.17960	3.9
241.19568	24.9
243.21210	4.9
257.19046	7.7
259.20605	71.5
261.22107	18.1
275.19974	2.5
277.21835	3.5
285.22314	1.9
313.21582	2.5
315.19897	1.8
315.23312	4.9
317.24667	2.1
331.22653	3.1
333.24277	62.3
334.24319	2.6
335.25839	100.0
336.26208	2.6
337.27350	6.5
351.25543	2.9
360.35449	1.9
367.22540	3.1
385.23743	2.0
403.25024	1.9
459.27798	2.3
489.35626	2.1
501.35147	2.6
519.42090	5.3
537.42993	4.0
541.38678	4.1
593.45648	18.9
611.46741	95.4
612.46759	4.2
623.46497	2.2
635.45520	2.5
701.47241	5.5
719.48499	2.9
737.49286	3.8
755.51422	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	965.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	2.7
69.03438	0.4
69.07072	14.7
69.58791	0.7
69.59214	0.8
70.06599	0.7
70.87641	0.2
71.08633	3.4
73.02936	1.3
75.04497	0.4
79.05499	2.3
81.03397	0.5
81.07055	3.6
82.94423	0.2
83.04980	0.6
83.08620	14.7
84.08121	0.3
85.10183	1.9
86.09717	0.7
91.05487	0.7
93.07041	2.2
95.04987	0.3
95.08604	2.7
97.06535	2.0
97.10172	10.3
98.20808	0.5
98.98470	30.8
99.08126	0.2
105.07052	0.4
107.08598	1.6
109.10157	1.4
111.08068	0.5
111.11728	2.8
115.94349	0.2
116.99512	0.5
119.08606	0.3
120.08110	0.5
121.10150	3.0
123.11716	0.7
125.09650	0.5
125.13282	0.6
129.05495	0.8
133.06546	0.3
135.11742	1.7
137.00009	0.8
137.13249	0.4
139.11235	0.3
149.13255	0.9
155.01045	23.4
163.14835	0.3
173.02116	2.3
211.03696	0.7
217.13368	0.2
219.21133	1.0
221.15311	0.3
229.04774	1.9
237.22142	3.2
247.05707	1.0
305.33783	0.2
311.25806	100.0
312.26129	1.9
321.98276	0.2
335.25912	0.4
391.22369	2.1
417.27762	0.2
447.25095	29.2
448.25476	0.7
465.26108	0.8
619.45703	0.2
623.43506	0.4
644.19824	0.2
792.18079	0.2
936.42944	0.2
965.34070	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6211
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	45.4
69.03431	7.7
69.06733	1.8
69.07072	18.0
71.04996	4.2
71.08638	25.5
71.22173	1.0
71.22509	1.7
73.02930	3.2
74.64514	1.0
77.03960	0.9
79.05499	32.7
81.03426	9.9
81.07063	53.1
83.04984	7.5
83.08624	17.6
83.93830	1.0
85.02909	13.1
85.06552	1.5
85.10184	15.6
89.06011	1.5
91.03953	3.4
91.04913	1.1
91.05487	28.9
93.07054	33.4
94.07381	1.0
95.04975	5.1
95.08615	40.9
97.02910	8.2
97.06532	8.7
97.10192	9.9
99.04432	1.8
99.08093	2.2
103.05412	1.3
103.07578	1.0
105.04530	1.9
105.07033	22.0
107.04974	3.1
107.08598	22.6
109.02924	1.4
109.06535	4.1
109.10165	19.0
111.04445	1.0
111.08072	4.1
117.07022	15.5
119.08591	20.2
121.06487	2.6
121.10148	12.9
123.04444	1.2
123.08060	2.8
123.11734	5.0
125.09663	2.6
127.03934	4.8
128.06229	1.7
129.05501	2.1
129.07030	5.9
130.07799	1.4
131.08582	16.2
133.10143	14.3
135.08063	3.0
135.11716	9.2
137.09630	2.7
139.07605	1.3
141.07037	2.1
143.08578	4.0
145.04964	2.8
145.10127	9.9
147.08107	2.0
147.11690	7.0
149.09624	7.6
149.13249	5.7
151.11198	1.4
155.08542	1.2
157.10155	3.7
158.43365	1.0
159.08154	1.5
159.11700	10.6
161.09593	1.5
161.13326	3.2
163.06038	1.4
163.11212	4.3
165.12654	1.6
169.10194	1.8
171.11743	2.4
173.04533	1.5
173.11864	1.8
173.13297	4.6
175.11172	1.3
175.14767	1.1
177.12712	2.8
179.14308	1.2
183.11647	2.8
184.07361	2.5
185.13269	2.3
187.14964	1.5
191.80031	1.1
195.13831	4.1
197.13268	1.5
199.14806	2.5
201.16328	1.1
203.14343	2.0
211.68607	1.1
217.15933	3.4
219.17476	1.8
227.12790	4.0
229.14352	7.3
229.19522	2.4
235.16936	2.7
239.17903	2.6
239.23677	3.2
255.15926	9.5
257.19040	7.8
267.15952	1.9
269.17511	24.8
275.20096	25.7
279.64163	1.1
291.19531	3.7
293.21033	1.9
309.20657	8.6
311.25574	2.1
313.27390	100.0
314.27676	3.3
331.22672	3.0
348.50504	1.0
349.19821	1.9
349.23767	25.6
367.24811	3.8
413.21777	2.8
467.37329	7.7
493.38821	16.4
507.40460	68.9
508.40662	2.4
521.42029	1.9
547.43665	26.8
548.17755	1.2
548.43378	1.6
557.19495	1.1
569.45581	1.3
587.46722	37.1
588.46985	1.8
605.47681	9.2
651.43909	2.3
749.52423	1.6
842.98175	1.1
973.58899	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5703
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	3.6
69.03433	3.3
69.07072	0.6
70.69418	1.6
70.69794	0.4
71.01373	0.4
71.05001	0.6
73.02930	3.8
79.05486	2.7
81.03437	1.7
81.07048	3.2
83.08603	0.6
85.02910	5.6
91.03973	3.3
91.05514	1.6
93.07059	2.7
95.08609	2.2
95.29263	0.4
97.02895	5.5
97.06516	0.5
99.04478	1.0
101.02393	1.7
105.07066	1.1
107.08613	1.5
108.25043	0.4
109.02920	0.8
109.10202	0.8
117.07059	0.5
119.08617	1.6
121.10194	1.4
127.03991	1.3
133.10139	0.9
135.11728	0.5
147.11778	0.7
185.04343	1.0
203.05370	0.5
207.11803	0.5
210.34863	0.5
243.08537	1.8
259.33426	0.4
335.25992	0.7
347.09698	1.8
363.09448	0.5
365.10718	0.6
405.13638	4.1
519.29431	6.3
681.34735	9.6
682.34760	0.6
797.52301	1.0
947.70398	0.6
959.57050	100.0
960.57184	6.2
975.67126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6291
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	93.6
69.03410	4.3
69.06454	2.1
69.06795	2.3
69.07081	27.9
71.50674	2.4
73.02924	5.1
73.28897	2.0
74.74023	2.2
79.05073	3.6
79.05502	51.3
81.03400	2.6
81.07064	100.0
83.08620	16.9
85.02899	24.5
91.03976	18.0
91.05502	26.0
91.06036	3.5
93.06487	3.6
93.07051	59.7
94.07383	2.9
95.04967	2.9
95.08613	88.6
96.84353	2.2
97.02920	11.7
97.06545	5.6
97.10170	7.6
105.07045	24.3
107.08601	29.1
108.08911	2.8
108.15403	2.1
109.10159	31.2
113.09657	3.1
117.07024	7.3
119.08615	19.9
121.10157	21.0
123.11727	11.0
127.03880	5.8
131.08601	15.4
133.10146	14.8
135.11696	16.7
137.13266	4.0
138.05057	2.9
145.04958	8.4
145.10130	9.8
147.11716	13.0
149.13263	12.2
157.10074	2.4
159.11644	11.1
161.13275	10.0
163.06026	8.4
163.14847	6.2
173.13286	6.9
175.14801	7.4
187.14809	4.0
187.98816	2.4
189.16319	2.7
212.81641	2.2
222.04434	2.4
243.21100	8.0
259.20633	8.2
261.22128	28.9
263.23740	6.6
311.25909	2.8
317.24918	5.4
318.81180	2.9
333.24146	6.3
335.25821	65.6
336.26181	5.2
337.27411	75.8
338.27536	3.9
339.29068	6.3
380.01105	2.5
597.48749	33.6
615.49847	40.7
626.30902	3.1
933.72833	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	951.5682
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	100.0
69.03431	14.9
69.07069	20.4
71.05003	5.4
71.50848	4.0
71.51215	3.4
73.02931	4.1
79.05497	65.6
81.03424	29.3
81.07063	91.1
81.43025	3.3
83.05003	17.9
83.08633	13.7
85.02899	17.2
85.06521	5.5
91.05490	77.5
93.06484	6.5
93.07050	80.7
95.04961	11.5
95.08616	64.1
97.02898	17.0
97.06549	16.9
97.10168	11.2
99.04473	5.7
99.08086	6.1
105.04517	4.6
105.07034	43.3
107.04954	7.8
107.08595	50.6
109.02898	8.6
109.06531	3.6
109.10164	52.1
111.08141	3.4
117.07014	17.2
119.08604	32.1
121.06537	5.2
121.10168	31.8
123.08061	8.0
123.11742	10.5
125.09663	9.4
127.03928	11.6
129.07028	4.9
131.08595	26.2
133.06427	3.6
133.10101	24.1
135.08063	5.2
135.11699	15.3
137.09604	5.6
143.08565	9.4
145.05215	3.0
145.06488	5.9
145.10097	18.7
147.11700	18.4
149.09651	10.5
149.13283	9.1
155.08626	3.7
157.10202	9.0
159.11705	17.0
161.09576	3.5
161.13239	11.3
163.11180	6.0
163.14934	4.2
167.08560	5.1
169.10139	6.7
171.11728	5.9
173.04475	9.0
173.11760	9.4
173.13301	10.8
177.12732	6.6
183.11783	4.7
185.13319	4.3
187.14885	5.4
189.12830	4.9
197.13252	3.5
199.14906	3.7
227.12819	15.1
229.14346	28.8
257.18973	7.0
261.22165	17.9
269.17416	5.9
275.20135	31.3
302.27039	3.1
323.25693	3.6
335.25806	90.9
336.25989	5.0
349.23807	20.2
405.26614	4.0
489.35724	17.8
529.38812	28.1
569.41998	28.6
609.45154	31.4
627.46088	13.2
713.45728	4.6
771.49872	4.7
782.21722	5.3
819.77747	3.7
931.99176	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	954.6148
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	57.1
69.03415	2.5
69.06689	0.7
69.07064	14.2
70.68093	1.5
70.68438	0.8
71.04987	1.4
71.08633	0.7
73.02912	3.8
77.03909	0.8
79.05492	40.4
81.03397	2.4
81.07055	59.9
83.04980	1.6
83.08618	7.2
85.02902	17.5
85.06519	2.3
91.03951	12.0
91.05484	25.5
93.07043	48.6
95.04967	3.1
95.08605	46.2
97.02894	9.1
97.06514	3.2
97.10162	3.6
99.04453	1.9
99.08086	1.5
105.04516	0.9
105.07025	20.4
107.08591	26.7
109.02833	0.9
109.06512	1.4
109.10153	21.0
111.08100	1.7
111.11729	1.2
117.07012	7.3
118.17062	0.8
119.08578	19.0
121.06483	0.9
121.10144	20.9
123.11707	8.9
127.03928	4.3
129.06981	1.6
130.07748	0.8
131.08556	11.7
133.10138	14.3
135.11690	14.6
137.09555	0.8
137.13251	3.0
139.11194	0.7
143.08513	2.4
145.04947	6.0
145.10127	9.1
147.11700	10.8
149.13269	9.1
156.74094	0.7
157.10143	2.7
159.11714	10.3
161.13243	8.3
163.06021	7.6
163.14821	5.4
171.11674	2.9
173.13264	8.6
175.14836	3.2
175.76945	0.8
177.16425	2.1
185.13284	2.5
187.14862	4.0
189.16434	1.6
195.17325	0.7
195.52557	0.7
199.14859	1.8
201.16371	1.7
203.17979	1.0
215.17924	1.4
227.17984	0.9
231.21019	1.0
233.22585	1.1
241.19696	3.7
243.21103	6.3
245.22678	1.0
259.20599	8.6
261.22134	19.1
263.23724	2.3
273.22250	1.0
275.23846	0.8
279.23102	1.0
299.23566	1.3
315.23041	1.1
317.24777	4.0
321.24063	0.8
333.24310	11.6
335.25797	100.0
336.26187	2.9
337.27359	13.2
353.27042	0.9
451.35132	0.8
521.43347	3.2
529.38989	1.3
539.44763	1.7
543.40356	1.3
595.38562	1.4
595.47272	18.1
596.48022	1.0
613.48309	20.5
696.12927	1.0
795.62140	0.9
909.66949	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.5526
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	51.7
68.05017	2.5
69.03433	13.1
69.07085	13.2
70.06599	14.7
71.04990	5.2
71.50121	3.1
72.04521	16.3
73.02910	10.7
74.06094	3.4
79.05499	44.9
80.05020	5.8
81.03422	47.7
81.07062	55.2
82.06585	2.8
83.04996	5.5
83.08623	17.4
84.08128	1.9
85.02915	32.2
86.06061	4.2
88.07637	7.2
91.03967	15.2
91.05482	31.8
93.07047	51.3
94.06545	5.6
95.04983	18.4
95.08618	34.7
96.08121	3.5
97.02892	26.7
97.06533	8.5
97.10178	4.5
97.16512	1.9
98.06063	17.8
100.07616	6.8
105.04556	1.9
105.07027	20.8
106.06515	2.5
107.04948	5.0
107.08601	22.2
109.06459	2.4
109.10174	16.5
111.04478	1.9
111.08070	4.1
112.07613	3.7
114.05505	3.4
115.05513	2.2
116.07108	10.3
117.07005	5.4
119.08590	16.8
120.37096	1.8
121.06483	2.5
121.10133	20.6
122.09537	2.1
123.08048	4.1
123.11700	6.2
124.07629	5.1
127.03912	8.4
129.06966	5.8
131.08583	14.7
133.06477	2.7
133.10141	9.0
135.07979	2.0
135.11685	11.6
137.06018	5.9
137.09650	3.2
138.12747	2.0
142.07835	2.7
145.04927	6.1
145.10130	8.4
147.08078	2.2
147.11682	13.1
149.09627	7.2
149.13248	5.9
157.10135	5.1
159.11670	4.6
163.06056	3.3
163.14795	1.9
167.10603	2.9
173.13193	3.8
175.11191	5.5
176.49150	2.2
182.15392	8.4
192.13809	6.1
193.12256	16.3
208.17026	3.4
210.14908	84.0
212.16423	2.9
224.11240	5.9
226.18022	8.6
227.12721	2.2
228.15948	33.6
236.16489	7.5
243.21107	5.9
249.14746	3.1
254.17525	26.1
261.22205	17.4
267.15945	82.9
272.18683	2.9
284.18573	9.1
302.19720	15.2
320.20679	5.4
328.21191	6.6
335.25803	81.0
336.26047	2.8
440.66284	2.0
453.33640	3.7
487.10120	2.3
527.37317	41.2
528.37720	3.0
545.38367	30.4
562.41071	18.4
569.38379	2.9
580.42108	40.5
606.43689	100.0
607.44250	2.7
635.38837	2.5
643.22491	2.4
724.46460	4.3
742.47461	15.1
768.48932	86.0
769.48022	3.1
799.07397	2.1
886.51691	2.3
904.51190	4.2
930.54297	63.8
931.54266	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	937.5858
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	1.9
69.03429	3.4
69.07087	0.7
71.01366	0.4
71.04996	0.4
71.08641	0.8
71.10398	0.5
73.02919	3.6
79.05492	1.5
81.03417	1.6
81.07051	2.0
83.01328	0.2
83.04987	0.3
83.08635	0.6
85.02906	5.0
85.10193	0.6
87.04497	0.6
91.03957	2.9
91.05502	0.7
93.07047	1.5
95.08606	2.0
97.02897	4.8
97.10194	0.4
99.04479	0.8
101.02398	1.8
103.03983	0.4
105.07066	0.5
107.08627	0.7
109.02923	0.7
109.10183	0.9
115.03967	0.4
119.08593	0.4
121.10176	0.4
121.56312	0.2
123.11703	0.3
127.03922	1.7
133.10173	0.3
135.11745	0.5
137.13248	0.2
145.05023	0.4
145.10152	0.3
185.04250	1.3
203.05338	0.4
242.93231	0.2
243.08427	1.9
259.08005	0.2
313.27328	0.4
335.26132	0.4
347.09546	2.3
363.09286	0.6
365.10712	0.7
405.13718	5.6
406.30185	0.2
497.30865	3.2
519.29321	5.0
659.36090	3.1
681.34589	6.7
775.53436	1.6
937.58612	100.0
938.58832	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	937.5862
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	2.6
69.03440	3.2
69.07063	0.7
71.01362	0.5
71.05012	0.3
71.08633	0.9
71.50430	0.5
73.02924	3.7
79.05504	1.4
80.94865	0.8
81.03414	1.6
81.07051	2.3
83.08624	0.5
85.02907	5.7
85.03381	0.5
85.10201	0.7
87.04490	0.6
91.03955	3.3
91.05490	0.7
93.07064	1.3
95.08604	2.2
97.02896	6.0
97.10212	0.3
99.04465	0.8
101.02397	2.0
104.99280	3.3
105.07072	0.4
107.08627	0.7
109.02885	0.9
109.10189	1.0
115.03965	0.4
119.08623	0.4
121.10187	0.8
123.11755	0.4
127.03925	1.4
135.11722	0.5
144.91542	0.4
145.05005	0.5
164.93164	0.4
185.04282	1.0
186.99553	1.4
198.97467	1.0
203.05397	0.5
243.08464	2.4
244.95593	0.4
268.99902	1.1
286.99051	1.4
313.27527	0.6
335.25787	0.4
347.09497	2.3
365.10922	1.0
405.13724	5.0
465.18671	0.3
497.30740	3.2
519.29236	4.7
576.16174	0.3
659.35895	3.5
681.34558	6.4
681.46429	0.3
696.53540	0.3
775.53333	0.8
787.44965	0.5
877.47467	0.6
879.50012	0.3
937.58655	100.0
938.58807	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	936.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.9
67.05510	55.6
67.08024	1.0
69.03423	3.5
69.06744	0.8
69.07078	11.6
70.02026	4.3
71.04984	3.9
73.02898	2.6
77.03948	0.9
79.05498	41.2
81.03423	77.7
81.07059	52.5
83.04996	4.7
83.08160	1.6
83.08623	23.8
85.02518	0.8
85.02918	8.8
85.06541	2.1
91.03941	6.0
91.04909	1.1
91.05485	30.4
93.07050	41.0
95.04977	28.3
95.08611	38.8
97.02898	6.9
97.06517	3.7
97.10172	7.2
103.05482	0.9
105.04540	1.1
105.07039	26.0
107.04949	6.7
107.08604	24.7
107.73186	0.8
109.06522	4.5
109.09481	1.5
109.10172	19.0
111.04436	1.7
111.08096	6.2
111.34376	0.8
115.05457	2.0
117.07015	9.2
119.08591	21.4
121.06512	3.7
121.10151	23.2
123.04456	2.3
123.08086	2.8
123.11697	5.4
125.09624	5.0
127.03948	2.6
128.06154	1.3
129.07016	10.6
131.08580	19.8
133.06477	3.5
133.10152	14.0
135.08025	3.1
135.11697	11.4
137.09575	2.6
137.13252	1.4
139.11208	0.9
142.07788	3.0
143.08551	2.6
145.05019	2.8
145.10132	11.2
147.08089	4.3
147.11699	14.3
149.09637	6.7
149.13248	7.6
155.08559	1.7
157.10133	10.1
159.11708	5.9
161.09592	1.3
161.13260	6.4
163.06024	3.1
163.11157	2.1
163.14807	3.3
165.12726	2.9
169.10146	1.5
171.11670	2.5
173.13290	6.6
175.11206	8.4
175.14729	3.2
183.11710	1.3
185.13264	2.8
187.13333	1.1
187.14787	4.2
189.11203	3.6
189.12740	1.2
193.12247	22.4
195.11858	1.1
199.14832	1.0
201.16429	1.5
205.12129	1.2
211.13185	2.5
219.17383	1.3
227.12764	8.8
231.13834	1.2
233.15419	1.8
235.13277	2.4
243.21149	5.5
249.14857	2.7
259.13348	2.3
259.20551	2.2
261.22177	15.6
265.14362	1.2
267.15933	100.0
268.16199	2.5
273.14786	0.9
279.23114	2.1
285.22098	1.1
293.71161	1.0
299.23703	1.9
301.14349	2.4
301.25278	6.7
309.16971	4.1
317.24661	3.9
319.15485	1.5
333.16763	1.1
335.25815	81.1
336.26193	1.7
389.17496	1.1
403.24805	1.6
417.31451	2.2
421.25702	3.2
435.27319	2.7
435.32574	5.4
449.28806	1.5
453.33594	9.8
471.34796	5.2
491.35016	1.2
501.35687	1.1
509.36169	2.5
527.37366	68.9
528.37628	2.4
545.38422	69.6
546.38513	1.7
559.39832	2.8
569.38470	7.4
577.40698	2.8
587.39862	2.1
611.38495	1.1
618.82080	1.0
623.39288	2.2
635.39050	2.6
653.39801	2.3
671.41376	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	933.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	0.9
67.05514	13.7
69.03437	9.6
69.07075	5.7
71.01362	0.8
71.04995	1.5
73.02926	8.7
79.05496	9.1
81.03432	3.8
81.07062	12.4
83.05000	1.3
83.08624	2.9
85.02912	19.9
85.06534	0.9
87.04496	0.8
91.03960	10.1
91.05483	9.3
93.06482	0.6
93.07053	9.0
95.04965	1.2
95.08611	10.1
97.02293	1.0
97.02900	18.0
97.06533	1.1
97.10180	2.3
99.04474	1.6
99.08123	0.4
101.02396	2.5
105.04549	0.7
105.07042	7.8
107.08607	6.3
109.02856	1.4
109.06517	0.7
109.10159	4.7
109.79605	0.4
111.08119	1.0
113.09682	0.4
115.03899	0.9
115.05475	1.4
116.06203	0.5
117.07031	5.5
119.08588	6.6
121.06537	0.5
121.10146	4.6
123.08120	1.1
123.11739	1.5
125.09638	1.3
127.03928	4.7
128.06238	1.8
129.07010	5.5
130.07771	0.6
131.08577	7.4
133.06476	0.4
133.10130	4.8
135.08047	0.5
135.11714	2.6
137.13258	0.9
139.11205	0.7
141.07042	3.2
142.07811	1.4
143.08580	8.0
145.05000	3.5
145.06473	0.6
145.10136	5.9
147.11703	2.9
149.13257	1.0
153.07016	0.6
154.07748	1.1
155.08577	6.8
156.09340	1.0
157.10152	7.7
159.11707	5.1
161.13290	2.1
163.06064	0.9
163.11203	0.7
165.07013	1.0
166.07686	0.7
167.08585	3.3
168.09424	1.4
169.10143	9.9
169.88834	0.5
170.10855	0.9
171.11708	6.0
173.09727	0.5
173.13295	3.0
175.14850	1.4
179.08591	1.3
180.09415	0.6
181.10120	5.3
182.10994	0.9
183.11688	8.8
185.13264	5.0
187.14867	2.2
189.16222	0.6
193.10167	2.5
194.10963	1.1
195.11739	4.9
196.12383	0.5
197.13264	6.1
199.14842	3.2
201.16505	1.2
203.35490	0.4
207.11737	2.7
208.12502	0.6
209.13254	4.5
211.11288	0.6
211.14786	4.1
213.12910	0.5
213.16438	2.4
215.17998	1.0
219.11824	1.1
221.13284	1.8
223.14853	2.9
225.16385	3.3
227.18039	1.8
233.13318	0.9
235.14809	1.5
237.16403	2.8
239.18071	1.6
241.19623	0.9
247.14803	0.7
249.16473	1.1
251.18088	1.8
253.19626	1.6
261.22101	0.6
263.17944	0.6
265.19653	0.8
293.19070	0.7
307.20932	0.5
309.22266	0.9
313.27499	0.8
319.20782	0.6
321.22388	0.6
323.23865	0.8
335.26462	1.0
336.26355	0.7
347.23334	0.7
349.25281	1.1
351.26978	0.8
353.24710	0.5
365.28625	1.1
393.27640	0.6
407.27847	0.6
433.30975	0.5
447.32632	1.0
515.38342	0.9
517.40698	4.2
525.35583	0.7
535.41681	2.0
539.37457	1.7
541.38904	0.6
555.40948	0.6
591.43988	5.6
607.43750	2.3
609.45166	100.0
610.45435	5.3
611.46790	0.7
621.45123	2.0
633.44946	1.2
645.44946	0.6
651.46332	2.0
675.45911	0.9
699.46100	1.4
717.47009	1.5
735.48248	2.1
736.48456	0.5
753.49200	3.6
771.50446	28.1
772.50934	1.8
933.55548	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	932.6311
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	0.8
67.05510	37.3
69.03423	1.8
69.07073	10.9
69.85120	1.7
69.85508	1.0
71.04995	1.2
71.08636	18.6
73.02924	3.0
79.05496	21.0
81.03415	1.4
81.07060	40.6
83.04983	1.1
83.08625	10.4
85.02909	14.7
85.06537	0.9
85.10190	10.2
87.04481	0.9
89.06038	1.5
91.03959	10.2
91.05483	11.1
93.07049	25.7
95.04979	1.9
95.08611	36.0
97.02894	8.6
97.06521	1.8
97.10178	5.0
98.20737	0.6
99.04459	0.7
99.08091	1.1
103.07578	1.4
105.07042	8.2
107.08601	16.0
109.06554	0.8
109.10164	15.8
111.08076	1.1
111.11720	0.6
117.07043	3.2
119.08586	6.0
121.10154	13.4
123.08073	0.8
123.11718	7.0
125.13240	0.6
127.03929	4.0
131.08582	7.2
133.10126	5.5
135.11717	9.6
137.13245	2.8
145.04991	4.4
145.10144	5.4
147.11697	3.9
148.63217	0.5
149.13269	6.3
151.14818	1.0
159.11687	4.9
159.86835	0.5
161.13245	3.7
161.92152	0.5
163.06026	6.0
163.14816	4.3
171.11681	0.6
173.13298	4.7
175.14835	1.5
177.16475	1.1
187.14882	2.8
201.16280	0.9
218.55211	0.6
233.22652	1.5
239.23672	2.6
243.21091	8.6
246.12273	0.5
257.24805	1.6
261.22165	35.4
262.22348	0.9
279.23175	1.1
299.23679	0.7
313.27383	100.0
314.27795	2.4
317.24893	5.8
335.25818	77.2
336.26163	2.0
419.78540	0.6
453.95914	0.7
499.45154	1.6
573.48798	38.0
574.49146	2.7
591.49835	6.3
634.60431	0.7
853.08032	0.7
874.20172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	1.9
67.05507	48.3
67.16282	0.7
69.03420	3.1
69.06727	1.1
69.07069	12.3
71.04984	2.9
71.51861	1.3
73.02921	1.3
75.55451	0.8
77.03928	1.1
79.05495	39.6
79.34224	1.0
81.03423	5.5
81.07057	47.7
83.04981	6.8
83.08620	9.3
83.50958	0.8
83.83460	0.9
85.02908	8.9
85.06544	2.5
91.03950	4.4
91.05489	23.1
93.07047	48.4
95.04980	8.4
95.08610	43.0
97.02892	6.4
97.06522	5.7
97.10157	3.6
99.04446	4.2
105.04491	1.2
105.07032	16.0
107.04955	11.0
107.08599	28.6
109.06522	2.4
109.09451	1.5
109.10146	13.1
111.04435	3.1
111.08110	1.6
117.07004	11.8
119.07817	1.1
119.08587	14.6
121.06498	2.7
121.10150	25.0
123.08069	2.6
123.11667	4.1
125.06007	2.3
125.09645	2.5
127.03915	2.0
129.07013	2.4
130.07780	1.4
131.08556	10.8
133.10127	10.5
135.08072	1.8
135.11697	33.8
137.09676	1.7
137.13263	1.1
143.08560	1.8
145.04944	2.2
145.06575	0.9
145.10129	23.6
147.11676	4.1
149.09642	2.0
149.13246	3.8
151.11218	1.3
153.12744	2.1
155.08565	2.1
157.10118	1.1
159.11713	3.8
161.13264	2.7
163.06071	1.8
163.11189	36.8
163.14853	2.1
171.11694	1.6
173.09592	6.2
173.13272	2.9
175.14821	1.8
181.12241	5.8
184.07333	1.0
187.14801	2.4
191.10614	5.4
209.11681	8.9
219.67078	0.9
224.57173	0.8
227.12776	37.2
229.14236	1.1
243.21039	3.9
245.43205	0.9
259.20627	1.1
261.22110	11.0
265.14417	4.5
283.15411	57.1
284.15445	1.5
299.23959	1.0
301.16431	20.5
317.24615	2.3
335.25815	100.0
336.26120	3.4
433.30740	1.1
452.41943	0.9
469.33173	1.8
487.34467	1.0
525.35480	2.1
543.36835	94.2
544.37207	4.6
561.37915	22.2
579.38586	1.7
587.47339	1.0
769.69452	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	4.2
67.05506	78.2
69.03409	5.6
69.07065	19.9
69.85650	6.6
71.01331	3.0
71.04993	6.5
73.02905	5.6
79.05492	66.3
81.03420	20.7
81.07057	80.8
83.01333	2.2
83.04978	16.4
83.08618	17.2
85.02906	22.0
85.06554	3.0
91.03967	10.6
91.05484	41.5
92.11104	1.3
93.07043	81.4
94.07370	2.1
95.04972	11.6
95.08605	66.1
97.02889	19.4
97.06527	9.9
97.10152	7.1
99.04430	4.1
99.08088	2.4
103.05446	1.8
105.04507	2.0
105.07036	29.0
107.04964	14.9
107.07879	2.3
107.08598	47.9
109.02874	2.4
109.06522	7.2
109.09470	1.8
109.10160	25.3
111.04420	5.5
111.08066	4.5
117.07020	19.0
119.08578	30.5
120.72173	1.6
121.06495	5.5
121.09335	2.8
121.10148	34.8
123.08081	3.4
123.11715	7.1
125.06008	1.5
125.09603	5.2
127.03887	3.0
128.06209	1.6
129.06996	6.2
130.07797	2.2
131.08565	19.7
133.10120	18.7
135.08044	6.1
135.11690	50.9
135.12726	2.8
137.09601	3.9
137.13106	1.3
139.11157	1.3
143.08545	4.2
145.04980	4.1
145.06456	4.1
145.10129	37.9
147.08038	4.7
147.11690	10.5
149.09627	3.6
149.13275	9.9
151.11198	1.7
153.12738	9.4
155.08556	3.7
157.10097	3.9
159.11710	7.7
161.09660	1.6
161.13345	6.1
163.06007	1.9
163.11180	55.1
163.12558	2.7
163.14813	3.9
169.10109	2.3
171.11624	2.8
173.09654	9.3
173.13232	4.8
175.11211	1.9
175.14859	2.7
181.10170	1.4
181.10664	1.7
181.12222	12.4
185.13330	1.6
187.14743	2.2
187.71777	1.3
188.94859	1.6
191.10713	7.2
199.14885	1.5
209.11717	22.0
209.13414	0.9
227.12778	50.1
243.21115	5.0
261.22183	14.0
265.14322	5.9
267.15897	2.9
277.21753	1.6
283.15411	69.6
284.15594	1.8
285.22177	1.5
299.14905	3.0
299.23627	2.0
301.16452	47.1
301.21591	1.8
315.23352	1.9
317.24677	3.1
335.25806	100.0
336.26013	3.2
423.32391	1.4
433.30994	3.3
451.32104	4.7
469.33118	3.6
525.35980	11.0
543.36810	93.7
544.37048	4.0
561.37836	64.7
562.38275	2.4
579.39056	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	917.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
63.74413	0.7
64.04716	0.8
65.96044	0.8
69.15289	9.1
81.07047	1.0
95.08668	0.7
105.07027	0.9
107.91663	0.8
223.08551	1.1
238.44731	0.9
308.81921	0.8
387.20328	1.0
402.18381	1.0
403.19470	1.6
415.19522	2.0
416.20233	1.3
417.20694	2.9
418.21906	1.4
421.37192	0.9
429.16827	1.2
430.22198	1.2
431.18890	4.2
431.23593	1.3
432.23444	1.5
433.23895	8.1
434.24707	1.1
440.62894	0.8
443.18140	1.6
444.19058	6.1
445.19699	6.2
446.21106	1.9
447.21805	1.7
457.20789	0.9
458.20572	1.9
459.21814	77.8
460.22549	14.8
461.14081	1.0
461.23373	6.3
463.19843	2.3
464.20615	1.1
471.22107	1.4
473.23447	5.0
475.15521	1.1
476.16968	2.2
477.17358	2.0
480.88895	0.8
487.20605	1.8
487.26083	1.8
490.24475	1.1
491.18665	7.1
491.25089	1.2
505.26367	1.9
518.23608	1.6
519.23712	15.0
524.63483	1.0
531.24097	5.3
533.25305	1.2
535.21399	1.2
545.25946	2.7
546.26410	4.7
547.27063	43.5
548.27606	1.4
551.21161	15.2
559.27155	1.1
563.27173	1.6
574.26031	4.5
577.23328	2.3
578.23792	1.7
591.26086	6.2
606.28412	94.1
607.28845	8.4
623.23492	2.8
857.35870	2.0
917.37897	100.0
918.38116	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	907.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	4.1
69.03436	3.9
69.07085	0.8
71.00339	0.3
71.00669	0.4
71.01360	0.4
71.04993	0.5
73.02927	3.7
75.09348	0.3
79.05500	3.1
81.03418	2.2
81.07059	3.7
82.07389	0.4
83.04989	0.6
83.08616	0.6
85.02914	5.8
85.96335	0.3
87.04466	0.3
91.03960	3.6
91.05475	1.7
93.07041	3.4
95.04992	0.6
95.08612	2.9
97.02895	6.2
97.06540	0.6
99.04501	0.8
101.02374	2.0
103.03928	0.3
103.67090	0.3
105.07060	1.0
107.04939	0.3
107.08601	2.1
108.87895	0.3
109.02924	0.8
109.10189	1.0
111.08071	0.4
115.03979	0.5
117.07083	0.5
119.08611	1.0
121.10180	1.3
123.11732	0.6
127.03941	1.7
131.08633	0.5
133.10182	0.7
135.07986	0.3
135.11685	2.4
145.10185	1.3
147.11610	0.4
149.13310	0.5
163.11201	1.9
174.10521	0.4
181.12328	0.4
184.07346	0.4
185.04263	0.6
202.98402	0.3
203.05338	0.8
227.12778	1.6
243.08502	2.4
249.11032	7.4
250.11185	0.4
252.33966	0.3
276.31915	0.3
301.12308	0.3
305.13751	1.1
335.25958	0.9
347.09598	1.9
363.09164	0.5
365.10571	0.5
405.13681	7.0
467.18942	5.0
503.37280	0.4
504.37659	0.5
519.29315	6.6
520.29553	0.4
547.39130	0.6
548.40234	0.6
583.36780	0.5
629.24286	3.1
681.34521	8.5
745.41302	2.1
907.46649	100.0
908.47162	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	914.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	0.8
67.05193	0.9
67.05511	12.8
69.03419	1.4
69.07069	6.7
71.08636	17.6
71.51125	1.2
73.02916	1.3
79.05496	9.3
81.03422	56.8
81.07056	16.9
83.04964	2.9
83.08163	1.2
83.08626	18.3
85.02911	5.6
85.06540	1.0
85.09725	1.0
85.10185	11.7
87.04525	0.7
88.83976	0.7
89.06000	1.5
91.03947	3.3
91.05495	9.7
93.07064	4.9
95.04977	17.4
95.08609	16.5
97.02909	4.0
97.06501	1.3
97.10163	5.1
103.05449	0.8
105.07034	9.1
107.04975	5.6
107.08584	3.0
109.06502	2.0
109.10152	7.5
111.04447	1.5
111.08113	4.0
117.07011	1.4
119.04924	0.8
119.07800	0.9
119.08585	8.0
121.06511	1.5
121.10141	4.4
123.04439	0.7
123.08091	1.4
123.11690	2.5
125.09604	0.9
127.03902	1.4
129.07007	6.0
131.08580	4.3
133.06491	2.5
133.10115	3.1
135.11664	0.7
137.09604	1.6
137.13200	1.3
142.07788	1.3
145.04944	1.2
145.10136	1.5
147.08034	2.8
147.11690	5.9
149.09618	3.4
150.53181	0.7
157.09105	0.7
157.10165	6.7
162.41475	0.7
163.05995	2.3
163.11189	1.1
165.12726	1.5
175.11151	6.0
189.05452	0.8
193.12259	22.6
194.12468	0.7
211.13263	1.1
239.23694	1.9
249.14812	1.6
257.24722	2.2
259.13162	1.4
267.15927	100.0
268.16220	1.9
295.18793	1.0
301.14502	2.0
309.17059	3.4
313.27380	95.9
314.27817	2.3
335.25992	0.9
393.19235	1.2
505.38925	82.9
506.39206	2.8
523.39856	2.0
547.40045	6.6
555.40460	3.8
565.40375	0.9
589.40936	1.8
601.41138	1.9
613.40820	1.6
631.41821	3.0
649.42926	1.6
795.40088	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	3.0
68.27760	0.3
69.03431	3.2
70.91392	0.6
71.05004	0.8
73.02929	2.8
79.05502	2.9
81.03436	1.6
81.07072	2.6
83.05020	0.5
83.08630	0.7
85.02922	4.0
87.04479	0.5
91.03960	2.6
91.05467	1.5
93.07056	3.3
95.04992	0.7
95.08623	2.7
97.02898	4.3
97.06561	0.4
99.04479	0.7
101.02396	1.7
103.04014	0.3
105.07065	0.9
107.08588	2.4
109.02909	0.9
109.10191	0.9
117.07074	0.8
119.08627	1.2
121.10169	0.7
127.03968	1.3
131.08597	0.6
133.10136	0.5
135.11684	3.0
135.23489	0.3
145.10178	1.5
159.86861	0.3
163.11211	3.2
181.12303	0.5
185.04245	0.8
187.20972	0.3
203.05373	0.6
219.09953	0.4
227.12831	2.6
243.08429	1.8
249.10980	5.5
299.44116	0.3
305.13593	2.7
335.26068	0.5
337.08295	0.4
347.09354	1.8
363.09155	0.5
365.10638	0.7
405.13684	5.1
405.18637	0.5
421.13480	0.4
467.18973	10.5
467.25372	0.5
504.47336	0.3
519.29321	4.7
539.12390	0.3
545.37469	0.3
547.39362	0.5
583.35767	0.7
583.44202	0.5
629.24164	6.0
681.34583	4.0
745.41315	1.8
907.46661	100.0
908.47058	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	904.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
63.53941	0.5
65.03938	2.5
67.05508	45.9
69.03425	5.2
69.06731	0.8
69.07070	11.4
71.04989	4.0
73.02921	4.3
79.05495	36.9
80.05839	0.7
81.03422	51.5
81.07059	48.0
83.04982	13.3
83.08623	20.4
83.09119	0.8
85.02909	31.0
85.06540	2.8
86.09734	0.6
91.03958	7.8
91.05484	35.2
93.07047	36.6
95.04369	1.1
95.04971	21.1
95.08607	30.3
97.02895	8.5
97.06535	4.7
97.10168	4.0
99.04442	1.3
99.08109	1.4
105.04543	1.2
105.07034	25.3
107.04955	6.3
107.08599	18.8
108.08926	0.6
109.02884	0.6
109.06519	4.4
109.10160	11.5
110.10479	0.7
111.04454	2.4
111.08083	9.6
113.06016	2.3
115.03956	0.6
115.05499	1.7
117.07025	5.3
119.04959	0.8
119.08583	19.8
119.61954	0.7
121.06509	1.0
121.10148	19.6
123.04485	0.6
123.08074	2.5
123.11715	4.8
125.09622	1.6
127.03923	3.6
127.07577	0.8
128.06207	1.0
129.07021	9.2
131.08572	16.3
133.06496	2.7
133.10133	13.9
135.08104	0.7
135.11691	7.0
137.09644	1.8
137.13261	1.4
142.07771	3.4
143.08548	1.2
145.04970	3.6
145.10127	5.7
147.08073	2.2
147.11697	14.3
147.12808	1.0
149.09634	5.2
149.13284	4.1
157.10130	12.7
157.11319	1.1
159.11679	3.3
161.13258	3.3
163.06009	3.3
163.11194	1.5
163.14825	2.2
165.12785	3.1
171.11673	0.8
173.13295	2.1
175.11189	11.5
175.14894	1.5
177.16444	0.7
183.11682	0.9
184.07426	0.6
187.14804	1.5
189.11169	0.9
193.12254	37.4
194.12613	0.9
199.14809	1.0
200.96597	0.6
211.13298	62.8
227.12724	0.9
243.21169	2.7
261.22150	10.7
262.22357	0.8
267.15909	16.8
268.16248	0.7
285.16974	70.8
286.17291	1.2
301.25290	1.1
309.21881	0.7
317.24869	3.0
335.25815	65.3
336.25977	1.6
417.31271	1.1
435.32874	3.1
453.33679	3.1
471.34998	0.7
473.33896	0.7
477.08426	0.6
509.36441	1.1
527.37378	14.4
528.37720	1.1
545.38391	100.0
546.38501	4.7
563.39728	1.3
569.38464	0.7
689.42999	0.9
803.72485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	1.6
67.05507	40.0
69.03429	4.0
69.07073	9.5
70.80376	1.1
71.04993	4.0
72.64958	0.5
73.02915	2.2
77.60317	0.6
79.05495	31.3
81.03422	35.2
81.07059	43.9
83.04981	9.8
83.08157	0.9
83.08624	15.2
85.02909	22.1
85.06529	2.5
86.09747	0.6
91.03957	5.5
91.05485	30.0
93.07047	36.0
95.04975	16.1
95.08610	27.4
96.93669	0.6
97.02895	6.0
97.06535	4.0
97.10176	3.2
99.04462	0.7
99.08085	0.8
105.04521	0.9
105.07034	21.7
107.04951	3.5
107.08595	15.8
109.06502	3.8
109.10155	11.2
111.04436	1.8
111.08089	6.5
113.06015	1.7
115.05444	0.7
117.07030	4.7
119.08587	20.7
121.06512	1.2
121.09332	1.1
121.10146	16.6
123.08064	2.2
123.11692	3.9
125.05944	0.5
125.09651	1.7
127.03915	1.7
128.06262	0.8
129.06992	8.1
131.08572	12.4
133.06511	1.0
133.10143	11.6
135.11702	7.4
137.09619	1.9
137.13248	0.9
139.11214	0.7
142.07802	1.7
143.08569	1.3
145.04977	2.7
145.10121	6.6
147.08081	1.7
147.11690	11.6
149.09633	4.4
149.13274	3.5
151.11182	0.8
157.10136	9.0
159.02509	0.7
159.11713	3.3
161.13287	2.8
163.06012	2.4
163.11192	0.8
163.14848	1.5
163.53145	0.8
165.12831	2.2
166.55104	0.6
171.11766	0.9
173.13286	2.4
175.11186	8.3
177.16374	0.9
184.07356	0.7
185.13214	0.8
187.14854	1.0
193.12256	25.2
194.12683	0.8
211.13297	32.9
226.08360	0.7
227.12810	1.4
243.21103	2.2
252.22908	0.8
261.22165	10.1
267.15887	10.8
285.16977	43.7
317.24768	3.0
327.97189	0.6
335.25803	65.9
336.26190	1.5
435.32632	1.5
453.33502	2.0
471.34378	0.9
509.35632	0.8
527.37305	14.4
545.38391	100.0
546.38721	4.1
563.39343	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.0
67.05507	28.4
68.05850	0.6
69.03428	1.9
69.06787	0.6
69.07073	5.9
71.04999	1.8
73.02916	0.9
77.03915	0.9
79.05498	21.4
80.05810	0.9
81.03417	21.6
81.07059	29.5
82.07408	1.0
83.04981	7.2
83.08620	11.0
85.02441	0.9
85.02908	12.1
85.06548	2.1
91.03954	2.7
91.05484	18.8
92.05834	1.0
93.06486	1.5
93.07046	22.7
93.07636	1.2
95.04971	12.6
95.08609	19.7
96.08965	0.9
97.02907	4.8
97.06508	3.6
97.10165	2.4
98.20641	1.4
99.04488	1.0
105.04557	0.8
105.07040	11.2
107.04987	3.2
107.08600	13.5
108.08887	1.0
109.06506	2.9
109.10154	7.1
111.04428	1.9
111.08076	4.4
113.06027	0.8
115.05470	1.1
117.07018	3.9
119.08578	10.5
121.10155	12.4
122.10416	0.7
122.70987	0.6
123.08018	2.1
123.11719	2.6
125.09623	0.8
127.03927	1.6
129.07031	4.3
131.08554	8.2
133.06509	0.9
133.10117	9.2
135.08037	1.8
135.11707	7.0
136.06113	1.0
136.12036	1.2
137.09615	1.2
139.11160	0.7
142.07788	1.4
145.04961	1.7
145.10109	5.7
147.08041	1.2
147.11713	8.2
149.09627	3.9
149.13268	2.8
151.11153	1.4
157.10143	5.8
159.11676	3.1
161.13277	1.8
163.06012	1.2
163.11209	3.1
163.14824	1.1
164.11526	1.9
165.12729	2.1
171.11743	0.9
173.13295	2.1
175.11179	6.2
175.14838	0.9
184.07428	0.8
187.14880	1.2
193.12254	20.3
211.13293	27.1
211.15303	1.4
227.12863	4.4
228.13097	1.6
243.21077	1.5
251.63760	0.7
261.22195	6.9
267.15967	7.8
267.36337	0.7
283.15387	6.5
284.15640	4.0
285.16986	32.8
317.24939	1.7
323.56042	0.7
335.25824	38.3
336.26099	6.4
337.26550	2.5
403.52316	0.8
435.32520	0.9
453.33618	1.9
471.34631	1.1
509.35965	1.1
527.37311	7.2
543.36865	1.9
544.37378	3.3
545.38336	100.0
546.38531	5.2
643.70563	0.8
904.50079	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	1.7
67.05511	31.9
68.13878	0.5
69.03407	1.6
69.06738	0.7
69.07070	9.3
70.96025	1.2
71.05003	2.6
71.08609	0.8
73.02893	2.3
79.05499	30.6
81.03404	2.3
81.07062	32.2
83.04965	2.3
83.08623	7.4
84.35919	0.6
85.02919	2.9
85.06506	0.9
91.03928	1.6
91.04908	0.6
91.05479	12.8
93.07051	41.2
95.04976	4.4
95.08614	45.8
97.02901	5.9
97.06526	3.2
97.10140	1.8
99.04482	3.0
99.05010	0.6
99.08092	0.7
103.05467	0.8
105.04522	0.7
105.07033	10.5
107.04970	6.0
107.08603	28.9
107.83262	0.5
109.06495	1.6
109.10175	9.5
111.04430	1.0
111.08064	1.4
113.09624	0.6
115.05426	0.6
117.07013	8.3
119.08591	13.2
121.06529	5.1
121.10148	17.8
123.08066	0.7
123.11707	2.2
125.05975	2.2
130.07738	1.4
131.08554	4.0
133.10147	6.0
135.08032	1.6
135.11703	46.1
136.06247	0.8
136.12050	0.7
137.09645	0.6
137.13240	0.7
139.07520	1.4
143.08588	0.7
145.04967	0.6
145.10132	27.3
145.11290	1.3
147.11684	2.0
149.13246	3.1
150.72508	0.5
159.11674	2.3
161.13271	1.9
163.11192	55.0
163.14810	1.7
164.11554	0.8
173.09633	0.8
173.13222	1.8
175.14847	1.4
181.12254	10.3
187.14819	0.7
209.11684	2.2
227.12798	69.3
228.13120	1.8
243.21234	2.9
243.23412	0.5
261.22134	7.6
283.15411	100.0
284.15704	3.2
317.24789	2.2
335.25824	88.1
336.26132	3.0
447.84586	0.5
467.17831	0.5
469.32492	0.6
543.36865	93.0
544.37189	6.3
561.38086	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	0.7
67.05509	30.0
69.03410	1.0
69.07076	7.4
70.70178	1.3
71.05007	1.9
73.02882	1.6
77.03901	0.6
79.05501	27.5
80.05782	0.4
81.03380	1.6
81.07063	32.1
83.04993	2.3
83.08624	6.4
85.02890	2.1
85.06538	0.8
86.76094	0.4
91.03915	1.8
91.05484	11.1
93.07049	38.7
95.04981	4.5
95.08613	37.1
96.08921	0.5
97.02895	3.6
97.06531	2.9
97.10186	2.1
98.21483	0.5
99.04473	2.6
99.08053	0.4
103.05431	0.7
103.34304	0.4
105.04497	0.7
105.07037	9.2
107.04967	4.6
107.08601	24.2
108.08894	0.4
109.06495	1.5
109.09493	0.7
109.10166	9.3
111.04420	0.8
111.08035	1.3
117.07023	6.5
119.07837	0.7
119.08599	10.0
120.91659	0.5
121.06514	3.5
121.10147	15.1
123.08038	1.0
123.11699	2.6
125.06029	1.9
130.07721	1.3
131.08606	3.7
133.10153	4.7
135.08041	1.6
135.11700	34.5
136.06113	0.5
137.09529	0.5
137.13213	0.5
139.07500	1.1
144.40028	0.4
145.10133	21.1
147.11699	2.5
149.13321	2.6
151.11226	0.5
153.12750	0.5
159.11742	2.3
161.13278	1.6
163.11189	39.3
163.14867	1.1
164.11501	0.8
173.09654	0.7
173.13248	1.6
177.16292	0.7
181.12238	7.1
187.14850	1.0
209.11707	1.2
227.12796	47.8
228.13174	0.8
243.21104	1.8
261.22174	7.1
279.23090	0.5
283.15414	55.9
284.15741	1.0
317.24783	2.4
335.25821	98.2
336.26074	2.9
448.04321	0.4
543.36859	100.0
544.37396	4.3
555.94995	0.4
860.78333	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	899.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	5.6
66.96488	1.5
67.05506	67.0
69.03436	4.1
69.07064	13.9
70.46655	5.2
71.04992	2.8
71.08625	1.9
77.03926	2.2
79.05495	67.6
80.06259	1.6
81.03420	49.9
81.07060	65.0
83.04983	8.7
83.08624	10.5
85.06531	3.3
89.03916	3.1
91.04907	1.9
91.05486	54.1
93.07045	67.8
95.04957	16.8
95.08609	38.3
97.06525	6.0
97.10164	6.6
103.05473	6.5
105.04515	3.6
105.07034	43.1
107.04932	5.9
107.08591	30.2
109.06544	5.2
109.10158	18.4
111.04413	2.6
111.08041	3.6
115.05453	4.2
117.03415	2.5
117.07003	10.6
119.08591	25.1
121.06483	2.9
121.10152	34.4
123.04388	3.2
123.08092	4.4
123.11706	5.1
125.09694	1.7
128.06219	3.7
129.06999	12.1
131.04898	5.3
131.08565	24.0
133.02870	3.8
133.06477	3.0
133.10150	19.6
135.04419	6.2
135.11723	8.1
135.73407	1.6
137.09624	2.6
141.06998	3.8
142.07788	2.3
143.08537	4.7
145.02852	4.1
145.06488	4.4
145.10149	8.0
147.04433	7.4
147.07974	1.7
147.11694	16.8
149.05969	5.1
149.09618	12.4
149.13263	5.0
150.10374	2.2
151.11215	2.6
153.06989	1.7
153.12802	2.0
155.08563	3.4
157.06511	8.8
157.10127	5.4
159.04408	19.6
159.11713	5.3
161.02327	12.0
161.05991	5.2
161.13304	4.6
163.03900	55.7
163.07536	2.1
163.11169	2.2
165.05447	6.1
165.06880	1.8
165.12747	5.4
167.08469	1.7
169.06458	1.6
171.04414	2.9
171.11662	2.9
173.02338	33.4
173.05844	9.2
173.13286	4.0
175.03891	6.3
175.07564	2.5
175.11189	4.3
175.14769	1.7
177.05399	2.0
179.08482	3.1
181.06563	3.8
183.08026	4.8
184.07332	2.2
185.05952	10.1
187.03909	29.1
187.07535	4.2
189.05457	6.6
193.12248	9.1
195.08026	3.9
197.05936	2.3
199.03915	19.5
199.07509	3.8
201.05484	12.7
201.09146	2.3
203.03360	2.6
203.07016	2.2
207.08096	1.8
209.09583	2.3
211.07539	4.2
211.13258	4.1
213.05484	34.5
213.08894	2.0
215.03409	2.7
215.07025	3.6
221.09604	2.8
221.13261	1.8
221.15317	1.9
223.11150	1.8
225.09172	2.7
227.07031	5.1
243.21033	3.5
249.12836	2.3
256.35773	1.5
259.20572	4.9
261.22238	8.2
265.12106	2.9
267.13782	26.5
283.13226	5.7
284.15695	2.5
285.14841	5.8
293.11722	7.8
301.16449	4.1
302.16760	2.0
309.14883	3.0
311.12766	19.2
311.16425	7.6
313.14453	2.5
313.21722	1.9
313.27353	4.9
314.27597	3.4
317.25128	2.2
327.15826	6.4
329.13776	3.4
329.17551	2.1
333.24304	1.8
335.25833	21.6
337.14389	8.1
341.17487	2.4
355.15421	71.2
355.19867	3.4
356.15750	2.2
357.16916	12.0
361.23569	2.9
373.16443	6.1
429.19098	100.0
430.19339	3.1
431.20718	3.3
447.20090	5.7
522.38861	2.5
540.39893	2.9
587.37115	3.7
590.17889	1.7
597.35498	5.5
615.37164	11.6
623.25476	2.0
624.25281	5.0
625.25793	1.9
633.37714	12.2
651.38513	3.7
665.40247	3.9
671.38989	2.3
679.41968	10.8
689.40503	32.2
690.40875	2.4
707.41534	56.9
708.41467	2.7
881.46338	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	891.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	3.0
69.03432	4.0
69.07076	0.6
71.01363	0.8
71.05002	0.5
71.51225	0.4
73.02921	4.2
79.05496	2.7
81.03419	4.3
81.07079	2.2
83.04999	0.4
83.08633	1.0
85.02913	6.3
87.04472	0.5
91.03962	3.7
91.05488	1.5
93.07049	2.1
95.04984	1.0
95.08587	2.0
97.02898	6.4
101.02374	1.7
103.03962	0.7
105.07056	1.0
107.08628	1.1
109.02910	0.8
109.10209	0.7
111.08109	0.3
115.03938	0.4
117.07005	0.3
119.08595	0.6
121.06517	0.3
121.10164	0.9
123.11839	0.3
127.03899	1.9
129.07027	0.4
131.08606	1.1
132.81494	0.3
133.10143	0.4
135.11667	0.4
145.04968	0.3
145.10190	0.6
149.09673	0.3
157.10185	0.6
175.11272	0.3
175.42111	0.3
180.05815	0.3
184.07365	0.3
185.04201	0.7
193.10564	0.3
193.12306	0.7
203.05363	1.0
241.70299	0.3
243.08401	1.8
267.16052	0.5
347.09329	1.8
363.09189	0.7
365.10709	0.8
402.56265	0.3
405.13672	4.1
405.18460	0.5
451.19443	3.7
490.81100	0.3
517.47089	0.3
519.29382	4.5
613.24805	3.3
679.22980	0.3
681.34711	7.0
729.42224	1.0
891.47137	100.0
892.47662	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	891.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	4.9
67.05490	0.6
69.03431	2.4
70.06571	0.7
70.06902	2.7
78.04713	1.4
79.05492	2.1
81.03408	1.3
82.04192	1.0
85.02917	5.1
91.05490	5.8
93.03407	3.0
95.04958	1.5
97.02881	1.5
97.06539	0.6
103.05479	3.2
103.06081	0.5
105.03391	0.7
105.07035	3.8
106.04165	0.8
106.82567	0.6
107.04971	4.7
109.02917	0.8
110.03681	5.3
111.04442	3.2
115.05447	2.4
117.07028	1.3
118.04183	1.5
119.04961	5.6
119.08564	1.3
121.06506	1.0
122.03683	1.2
123.04441	4.0
124.05238	1.5
125.06004	6.2
127.03960	1.5
128.06223	2.1
129.07016	3.3
131.04977	4.3
131.08557	0.8
132.05719	1.7
133.02872	2.5
133.06490	2.6
134.03555	0.7
135.04430	1.0
136.05225	0.9
137.05983	10.4
138.03122	1.1
141.06905	0.7
144.05711	1.8
145.06491	1.5
147.04454	4.6
147.08066	2.7
148.05197	0.9
149.05962	1.7
151.03899	1.6
151.07539	2.4
152.04692	1.7
153.05481	20.7
153.06770	1.2
155.04927	1.2
156.05672	1.0
157.06535	1.0
159.04320	0.7
159.08069	4.4
160.05231	2.1
161.06009	4.9
163.07564	2.6
165.05597	1.1
165.06999	1.2
167.07050	69.5
168.05649	0.7
168.07372	1.0
169.06502	2.0
171.04431	0.9
171.08070	0.7
172.05138	1.6
173.05977	1.8
175.07552	19.0
176.04671	1.8
176.06119	0.6
176.07913	0.6
177.05493	1.5
178.07674	0.8
179.07060	7.8
183.06558	1.3
184.05223	0.8
185.06003	1.4
186.06796	2.0
187.07549	10.8
189.05457	2.5
189.07042	1.8
189.09079	1.2
190.07791	2.0
191.07040	9.4
191.08601	3.2
193.06874	0.8
193.08649	3.3
195.08035	0.6
198.06711	0.8
199.07532	9.6
201.09178	1.4
202.07732	3.2
203.06985	0.6
203.08603	4.1
204.09312	1.0
205.06606	3.0
205.08229	0.6
206.07338	1.3
207.06505	1.7
207.08102	1.6
208.08891	0.7
214.06154	0.7
215.06953	1.6
215.08627	1.9
216.07846	2.4
218.07230	3.8
219.08073	8.1
220.08769	4.7
220.77560	0.6
221.06026	2.0
221.09592	3.1
223.07446	1.3
229.08641	3.3
230.07277	1.5
231.08089	6.0
232.08820	1.2
233.05980	2.4
233.09689	3.4
234.06862	3.1
234.10504	1.3
235.07507	4.0
236.08337	4.0
237.09142	2.6
242.07346	0.9
243.08122	1.1
244.08607	0.7
245.06004	1.1
245.09654	0.9
246.06877	2.9
247.07588	5.9
248.08305	5.6
249.05298	0.8
249.09111	6.5
250.09956	0.9
251.07062	1.1
251.10732	7.6
253.08582	1.6
258.06836	2.1
258.27124	0.6
259.07523	4.5
260.04968	0.5
260.08325	3.6
261.05676	2.9
261.09061	4.3
262.06256	1.8
262.09799	1.6
263.07080	3.6
263.10556	3.6
264.07877	6.7
264.10846	0.8
265.08640	12.3
266.09396	1.2
267.10013	0.6
271.07565	0.8
273.05737	0.9
273.09103	5.0
274.06171	2.1
274.09439	1.0
275.07092	4.0
276.07819	14.0
277.08606	6.6
278.06375	0.6
278.09332	4.1
279.10135	6.5
280.07507	1.3
280.10889	1.8
281.08063	2.7
281.11752	2.1
282.08679	1.0
288.07840	2.7
289.05219	1.1
289.08533	7.5
290.09387	4.9
291.06815	0.7
291.10126	8.3
292.07361	1.5
292.10849	1.5
293.08096	5.9
293.11740	2.1
294.08920	1.4
295.09625	1.2
295.13098	0.7
301.08691	4.2
303.10013	0.7
304.07349	6.3
305.08075	3.7
305.11365	0.9
306.08899	3.1
307.09680	14.4
308.10379	9.8
309.11063	3.4
311.12778	11.0
318.08865	1.8
319.09662	36.4
320.10339	6.4
321.07611	1.1
321.11130	7.0
322.11975	0.9
323.09351	0.9
323.12823	11.2
324.09924	1.9
324.13632	1.0
336.09833	1.8
336.13593	0.7
337.10767	1.6
337.14267	0.9
338.11600	0.8
339.12283	53.2
340.12701	2.3
341.13931	6.5
351.12286	100.0
352.12613	4.9
353.13705	5.3
355.15332	1.6
359.58240	0.7
369.13345	8.4
370.13815	0.7
489.18918	1.7
501.18695	1.0
513.18066	0.6
514.58344	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.329
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	4.5
67.05490	1.1
69.03423	1.8
69.26534	2.1
69.26952	3.5
78.04700	1.6
79.05485	2.9
85.02909	5.8
91.05489	7.0
93.03413	3.8
94.04174	0.7
95.01327	1.0
95.04974	1.9
97.02892	2.3
103.05466	2.9
105.07044	4.0
106.04198	0.9
107.04964	3.9
110.03661	4.6
111.04447	4.0
115.05444	2.9
116.06219	0.8
117.07061	1.2
118.04181	1.7
119.04938	4.6
119.08575	1.4
121.06514	0.8
123.04420	4.7
124.05187	1.9
125.05991	5.9
127.03896	0.6
128.06247	2.8
129.07033	3.3
130.04140	1.2
131.04948	5.3
132.05698	2.4
133.02870	3.5
133.06503	3.1
135.04408	0.8
136.05223	0.9
137.05998	9.4
141.07011	2.0
143.04913	0.9
144.05713	1.3
145.04987	0.8
145.06464	1.2
146.03676	0.9
147.04410	6.3
147.08067	2.7
148.05206	0.9
149.05972	2.2
151.03925	1.4
151.07552	2.3
152.04652	1.0
153.05482	19.6
153.06769	1.1
156.05656	0.9
159.08043	6.4
160.05194	2.0
161.06027	5.4
163.07521	1.8
165.05521	1.0
165.06966	1.6
167.07050	70.1
169.06508	1.2
171.04399	0.7
171.08179	0.9
172.05151	0.8
173.05991	2.4
174.06972	0.8
175.07562	17.7
176.04773	1.3
177.05496	1.2
178.07761	1.0
179.07047	6.2
179.08563	1.6
183.06520	0.7
184.05191	1.5
185.06047	1.5
186.06804	2.2
187.07558	9.7
189.05432	2.7
189.07002	2.2
189.08992	1.0
190.07777	2.6
191.07050	9.3
191.08594	2.8
193.08591	3.5
199.07538	11.7
201.09042	1.1
202.07719	3.9
203.06979	0.8
203.08586	4.8
205.06488	2.2
206.07298	1.9
207.06375	1.0
207.08072	2.9
215.06979	1.7
215.08655	2.0
216.07840	2.5
217.06528	0.9
218.07271	3.5
219.08093	8.6
220.08878	4.7
221.05977	1.2
221.09584	1.6
223.07617	1.2
229.08592	2.8
230.07286	0.8
231.08064	6.3
232.08807	2.3
233.06038	2.9
233.09613	3.4
234.06865	3.1
234.10387	0.9
235.07516	4.2
236.08423	3.5
237.09105	2.7
243.08054	1.0
245.06003	2.2
245.09656	1.2
246.06697	3.4
247.07553	6.9
248.08362	6.0
249.05547	1.2
249.09145	4.9
250.06178	1.3
250.09906	2.0
251.06985	1.4
251.10678	7.1
253.08629	1.7
255.10429	0.8
258.06830	1.5
259.07489	3.6
260.08420	2.9
261.05588	3.8
261.09073	5.2
262.06323	1.8
262.09930	1.5
263.07184	3.0
263.10706	3.9
264.07846	6.5
265.08612	11.7
266.09241	1.0
267.10193	1.4
273.09033	4.5
274.06287	1.4
274.09955	0.9
275.07025	4.1
276.07806	11.4
277.08636	6.5
278.06473	0.8
278.09326	3.2
279.07132	1.0
279.10199	4.7
280.07553	0.7
280.10800	1.5
281.08148	3.0
281.11810	2.2
287.07077	1.5
288.07816	2.4
289.08569	7.1
290.09369	4.9
291.06680	1.8
291.10184	8.8
292.07397	1.4
292.10754	0.8
293.08109	6.1
293.11719	2.8
294.08841	1.6
295.09677	1.6
295.13281	0.8
296.10553	0.9
301.08661	3.6
303.10107	0.9
304.07333	5.3
305.05038	0.7
305.08020	3.9
306.08832	2.7
307.09622	14.9
308.10425	9.1
309.11081	4.2
311.12845	10.3
319.09668	37.5
320.10370	7.6
321.07816	1.1
321.11188	7.1
322.12354	0.7
323.09366	0.8
323.12790	11.1
324.13397	1.1
325.14331	1.3
333.11325	1.3
336.09662	1.4
336.13501	0.7
337.10608	1.4
337.14282	1.3
338.11646	0.9
339.12292	53.1
340.12784	2.2
341.13840	6.3
351.12296	100.0
352.12695	4.3
353.13870	5.8
355.15552	1.9
369.13364	11.4
370.13690	0.8
489.19418	1.4
499.17188	1.4
513.18494	0.8
821.91998	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	3.0
65.74699	0.8
67.05509	45.7
69.03434	4.4
69.07076	12.3
71.04990	3.3
71.29507	2.0
73.02919	6.9
77.40783	0.8
78.45869	0.8
79.05500	38.1
81.03424	72.4
81.07062	43.1
81.07458	0.6
83.04977	4.8
83.08625	17.1
85.02912	24.5
85.06541	1.8
91.03961	16.1
91.05490	29.7
93.07053	37.5
95.04981	24.8
95.08614	35.5
95.09069	0.7
95.09235	0.9
97.02900	13.1
97.06523	3.3
97.10178	6.1
99.04444	1.8
105.07037	22.8
107.04945	7.1
107.08597	18.2
109.02879	2.0
109.06526	4.0
109.10173	16.7
111.04451	2.7
111.08104	4.9
115.03974	1.3
117.07016	6.5
119.04987	1.0
119.08589	20.5
119.09372	1.7
121.06525	6.0
121.10157	17.1
123.04449	2.9
123.08102	2.5
123.11745	4.6
125.09628	3.9
127.03899	6.8
129.06999	8.8
131.08585	15.8
133.06519	3.1
133.10149	12.0
135.08072	2.3
135.11705	11.7
137.09636	2.1
137.13269	2.2
142.07793	2.7
143.08607	2.3
145.05022	6.3
145.06467	1.5
145.10130	9.1
147.04405	1.0
147.08051	3.2
147.11710	10.6
149.09587	4.3
149.13246	6.7
151.11177	1.3
151.14702	1.0
151.46501	0.9
157.10161	10.5
159.08005	1.7
159.11716	6.9
161.09613	1.9
161.13248	4.5
163.06039	9.5
163.11243	3.3
163.14803	3.5
165.12735	1.7
169.10143	1.5
171.11668	1.9
173.13257	6.6
175.11237	7.0
175.14807	1.5
177.16383	1.6
185.13203	1.9
187.14890	2.8
189.11275	3.4
193.12250	20.3
193.13896	1.8
198.91327	1.0
199.14807	1.0
201.16403	1.6
211.13277	1.5
213.16451	1.0
219.13875	1.0
227.12755	4.9
235.13251	2.7
243.21240	6.0
249.14861	2.7
259.13431	2.5
261.22186	18.0
267.15939	100.0
268.16254	2.1
273.14908	2.7
279.23239	1.9
301.14261	3.0
301.21991	1.5
301.25137	6.1
309.16968	5.1
309.19940	1.1
317.24731	4.3
333.24338	1.2
335.25830	82.7
336.25891	2.7
372.28229	1.0
375.17657	0.9
403.24670	1.4
421.25977	2.1
435.27094	2.1
435.32413	3.2
449.28998	1.6
453.33591	4.9
469.91653	1.1
471.34546	3.6
524.09900	0.9
527.37360	52.8
528.37506	1.7
545.38428	36.5
546.38605	1.7
569.38495	6.7
623.39502	2.3
635.39264	3.1
653.39752	1.7
671.41418	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.482
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	1.6
69.03437	2.6
69.07060	0.7
71.01361	0.5
71.04993	0.5
71.08632	1.6
71.51055	0.5
73.02924	2.8
76.27914	0.3
79.05502	1.5
81.03426	1.8
81.07063	1.9
83.05003	0.4
83.08626	0.8
85.02912	3.6
85.10196	0.6
86.09663	0.3
91.03962	2.3
91.05527	0.7
93.07053	2.0
95.08620	2.5
97.02895	4.4
98.20795	0.3
99.04469	1.2
101.02349	1.7
105.07052	0.5
107.04990	0.4
107.08609	1.2
109.02898	0.8
109.10206	0.7
111.04446	0.4
119.08582	0.8
121.10171	0.5
127.03936	1.3
133.10147	0.4
135.11703	2.0
145.10164	0.9
160.38344	0.3
163.11195	3.3
181.12303	0.7
181.48807	0.4
182.15215	0.3
183.06340	0.4
183.47853	0.3
184.07422	0.4
185.04309	0.9
200.40913	0.3
203.05391	1.0
219.09920	0.4
227.12840	2.8
243.08447	1.5
244.95624	0.4
249.11017	6.2
249.13432	0.5
259.07950	0.5
305.13577	1.8
313.27612	0.8
335.26062	0.4
347.09518	1.8
363.09158	0.5
365.10678	1.0
405.13690	5.4
405.18597	0.4
467.18942	9.6
497.30981	5.8
561.37830	0.6
629.24268	5.8
659.36230	4.2
714.00360	0.4
723.43085	2.6
885.48193	100.0
886.48547	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	880.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	3.2
67.05188	1.1
67.05518	14.9
69.03429	2.3
69.07074	8.8
70.99365	0.7
71.04993	1.3
71.08643	17.6
71.51918	1.5
73.02925	2.4
79.05065	1.5
79.05496	17.2
81.03439	2.1
81.07067	20.2
83.04984	2.2
83.08622	12.1
84.31735	0.8
85.02932	4.1
85.06555	0.9
85.10186	12.2
85.47969	0.7
86.09723	1.5
89.06068	1.5
91.03960	3.1
91.05486	5.7
93.07052	25.7
95.04968	4.9
95.08618	37.8
97.02921	4.4
97.06548	2.3
97.10197	4.5
99.04469	3.1
100.14422	0.9
103.05489	0.7
103.07573	0.8
105.04573	1.0
105.07031	5.3
107.04971	7.1
107.08603	21.7
109.06567	1.5
109.10166	8.4
111.04468	1.4
111.08089	1.1
117.07043	6.5
119.08585	8.2
121.06488	4.0
121.10150	10.6
123.11723	2.2
125.00033	0.9
125.06015	2.5
127.03924	0.9
130.07787	0.8
133.10167	1.4
135.08112	1.3
135.11707	40.2
137.13220	1.4
139.07573	0.9
145.10138	23.8
155.08403	0.8
158.77164	0.7
163.11197	54.8
164.11554	0.8
166.86958	0.8
181.12248	10.1
181.94057	0.7
184.07393	2.5
202.23830	0.8
209.11905	1.3
222.00920	0.7
227.12805	56.2
239.23627	1.6
257.24615	1.4
283.15430	87.5
284.15781	2.0
313.27383	88.9
314.27820	2.1
521.38422	100.0
522.39087	4.2
545.24481	0.8
880.49353	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
64.66184	0.8
65.03938	5.5
67.05506	45.8
69.03410	2.4
69.07076	9.4
71.04974	2.1
71.51438	1.3
73.41599	0.7
75.54604	0.7
77.03928	1.7
79.05493	47.8
79.21004	0.6
81.02938	1.3
81.03418	28.9
81.07056	37.3
83.04974	9.4
83.08617	7.4
85.02908	1.0
85.06536	2.1
86.09684	0.8
89.03913	2.0
91.05483	38.0
92.60729	0.8
93.03394	1.9
93.07046	49.1
95.04977	13.2
95.08611	20.7
97.02872	1.2
97.06519	4.1
97.10184	3.8
99.08118	1.0
103.05453	2.7
104.06242	1.0
105.04495	3.3
105.07033	26.6
106.80413	0.8
107.04952	3.6
107.08601	17.1
109.06503	2.9
109.10165	12.9
111.04468	4.3
111.08076	1.4
115.05420	2.6
117.03365	3.8
117.07020	6.5
119.04922	1.1
119.07806	1.3
119.08583	17.5
121.02879	4.5
121.06483	1.0
121.10148	23.3
123.04436	1.8
123.08068	2.1
123.11683	3.2
128.06218	1.0
129.05455	1.3
129.07014	6.0
131.04950	3.6
131.08571	11.6
132.09300	1.6
133.02826	3.2
133.06573	1.5
133.10135	10.4
135.04422	5.2
135.11694	5.8
137.09621	1.3
139.03880	3.3
141.06934	1.8
142.07782	1.1
143.04932	1.8
143.08560	1.2
145.02861	4.3
145.06474	3.4
145.10089	5.0
147.04424	4.9
147.08032	1.9
147.11685	10.9
149.05975	4.3
149.09627	9.3
149.13225	2.1
151.11186	2.2
153.06973	1.7
155.05946	0.8
155.08560	1.5
157.05042	1.6
157.06488	4.4
157.10126	4.1
159.04416	13.0
159.11653	2.4
161.02339	10.1
161.05978	2.9
161.13260	1.3
163.03906	43.0
163.07500	1.3
163.11253	0.8
165.05501	1.5
165.06920	1.5
165.12758	4.1
167.08530	1.0
169.06497	2.0
171.04427	2.6
171.08063	1.9
173.02342	20.2
173.05966	7.7
173.13222	2.2
175.03912	3.3
175.07533	1.6
175.11192	2.8
177.05493	1.4
179.08630	1.4
181.06415	2.5
182.07285	0.8
183.04333	1.1
183.08038	2.8
184.05231	1.0
184.07338	1.3
185.06003	7.6
187.03908	23.8
187.07533	2.5
187.14926	1.1
189.05484	2.6
189.09045	0.9
193.12244	5.5
195.08127	1.6
195.13748	0.7
197.05977	2.7
197.09558	1.9
199.03917	14.2
199.07574	2.9
201.05486	9.0
201.09131	1.1
203.03378	2.8
203.06856	0.8
209.09605	1.2
211.07555	2.6
211.11301	1.3
211.13159	1.4
213.05486	24.9
213.07413	1.2
215.03421	1.5
215.06999	3.2
217.05038	0.9
219.11598	1.3
221.09752	1.6
223.07497	1.4
225.05524	2.6
225.09113	1.7
227.07039	3.1
229.04965	2.1
237.05367	1.0
237.12717	0.9
239.06987	1.7
239.14352	1.2
241.08574	1.5
241.12251	1.7
243.21056	1.0
247.11279	1.0
249.12737	2.3
253.08672	1.3
253.12210	0.9
259.20630	1.3
261.22192	4.1
265.12137	2.0
267.13788	33.2
268.14203	0.8
283.13205	6.7
283.15790	0.9
285.14795	3.6
293.11703	6.1
293.14975	1.2
299.16031	1.0
309.14810	4.0
311.12756	20.7
311.16425	10.4
319.13263	1.1
327.15866	8.1
329.13760	3.4
329.17526	0.8
333.24207	0.9
333.76868	0.7
335.25769	13.8
337.14310	13.6
355.15393	100.0
356.15692	3.4
357.16919	4.3
373.16492	13.0
411.18170	3.6
429.19110	35.8
430.19223	1.2
431.20172	1.3
447.20319	4.4
511.19553	1.4
529.20648	2.1
539.22760	1.2
547.21722	2.4
549.21259	1.7
567.22229	1.4
585.23163	1.8
603.24579	3.7
615.36853	2.2
618.29254	0.9
633.37640	2.5
642.28693	0.7
679.41760	1.1
689.40509	20.6
707.41693	11.1
863.45679	4.2
881.47089	17.8
882.47168	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	874.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	4.7
67.05511	100.0
69.03440	7.9
69.06788	2.8
69.07076	33.0
69.79597	14.9
71.04998	6.4
73.42548	2.8
74.11468	2.5
79.05499	62.5
81.03414	12.7
81.07061	91.8
83.04987	12.7
83.08649	19.1
85.02879	3.9
85.06524	6.5
86.09705	4.3
91.05492	56.6
93.07050	64.9
94.69576	2.9
95.04966	11.6
95.08611	42.9
97.02902	4.3
97.06546	18.1
97.10156	13.7
99.96637	2.8
105.07041	47.2
107.04952	10.4
107.08606	42.1
107.48151	2.8
109.06530	11.3
109.10166	45.5
111.08094	7.9
113.05988	3.8
115.05457	4.0
117.07043	21.0
119.08575	41.0
121.06512	3.6
121.10161	25.7
123.04448	2.7
123.08064	6.5
123.11743	5.6
125.09641	12.1
129.07011	10.7
131.04849	2.8
131.08569	25.7
133.10127	25.2
135.08092	7.1
135.11681	13.3
135.33905	2.8
136.06215	7.4
137.09694	6.7
141.07079	3.8
143.08588	6.9
145.06464	4.0
145.10127	22.4
147.11691	17.3
149.09648	13.7
149.13283	9.3
151.11200	4.1
157.10127	5.3
159.11740	16.1
161.06131	2.9
161.13263	4.1
163.11215	7.2
168.09392	3.5
169.10172	6.7
171.11699	9.2
173.11746	8.9
173.13310	9.1
177.12700	4.2
179.14223	3.0
183.11746	5.4
184.07387	9.2
185.13208	2.9
189.11220	5.1
189.12753	2.8
195.13821	4.7
197.13202	6.0
227.12813	16.8
229.14349	30.7
229.19475	3.4
239.17867	4.1
245.30292	3.1
255.15919	3.3
257.19019	9.4
269.17462	26.0
275.20096	53.9
291.08435	2.8
293.21179	3.1
309.20639	7.0
331.22754	5.9
333.24094	3.7
349.23773	43.5
367.24719	10.9
409.25882	7.5
423.27451	23.9
449.29041	6.3
463.30576	15.6
503.33633	19.4
521.35132	3.4
525.36072	5.8
543.36804	37.9
561.37604	12.8
623.43030	12.1
641.43842	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	872.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	3.9
65.03928	3.7
65.94717	1.1
66.07688	1.1
67.05509	58.6
68.05020	3.3
69.03419	4.7
69.07075	14.8
70.06588	4.1
71.04984	2.8
73.02911	2.4
77.03958	1.4
78.18791	1.3
79.05496	50.4
80.05021	2.4
80.64465	1.1
81.03423	75.6
81.07059	58.1
82.06570	5.9
82.67983	1.6
83.05000	8.5
83.08155	1.5
83.08630	19.7
84.04510	88.0
85.02901	7.8
85.06522	1.5
86.06060	3.0
86.09745	1.8
86.58426	1.2
87.04442	2.2
91.03956	1.5
91.05489	37.7
93.06490	2.9
93.07055	47.3
94.06567	2.5
95.04972	28.3
95.08613	38.8
96.04501	23.1
97.02886	5.8
97.06519	5.1
97.10153	5.0
98.06065	2.1
98.20631	2.8
99.04462	1.3
99.08082	1.8
102.05555	19.9
103.19873	1.1
105.04510	2.7
105.07042	26.8
107.04960	8.4
107.08614	23.8
109.06503	4.2
109.10160	18.4
110.06068	1.9
111.08070	4.8
112.07584	2.2
113.08056	1.2
114.05572	2.4
115.05416	1.6
117.07034	7.2
119.08582	20.0
121.06529	3.1
121.09323	2.5
121.10153	29.7
121.11018	1.6
123.08047	3.2
123.11680	5.5
124.03937	4.4
124.07564	2.1
125.09616	3.8
126.05508	1.4
128.06174	2.0
128.07066	1.5
129.06999	9.4
130.04054	2.3
130.05017	42.4
131.08574	16.9
132.27873	1.3
133.06502	2.6
133.10141	14.7
135.11714	10.2
137.09607	3.2
137.13275	2.6
138.05542	1.8
139.11201	3.1
142.07748	2.3
143.08630	2.6
145.10143	9.1
147.08014	3.7
147.11699	13.0
148.06059	86.5
149.09637	31.6
149.13286	6.4
151.11159	2.1
152.07100	2.7
157.10135	10.8
159.11682	4.8
161.13251	3.6
163.11157	6.2
163.14828	3.1
165.12817	1.9
167.10744	1.8
171.11650	1.9
173.13287	4.7
175.11226	9.3
175.14821	1.7
184.07330	2.2
184.13318	1.5
187.14836	3.0
193.12262	28.1
194.15422	4.5
201.16301	1.7
202.07167	2.8
204.13864	6.9
205.12270	1.5
210.14885	3.7
211.13274	5.3
222.14954	7.8
227.12738	4.7
229.44447	1.8
232.13344	3.1
239.38849	1.3
240.15881	1.7
243.21097	4.6
248.16457	2.9
249.14833	2.2
250.14397	50.7
261.22171	15.5
262.10782	1.6
267.15936	100.0
268.15515	10.0
275.20032	2.1
276.15891	6.2
286.16553	1.7
294.16818	3.1
301.25189	2.4
309.17120	1.7
312.17880	3.0
314.15848	1.6
317.24612	2.1
324.18387	1.5
335.25824	79.7
336.26181	5.2
352.17581	1.8
365.23288	1.7
370.18576	6.0
388.19592	2.2
414.21390	6.0
435.32742	4.0
453.33636	4.7
471.34726	1.6
527.37335	40.5
545.38458	23.5
546.38654	2.2
620.41602	7.8
630.39758	5.0
646.43018	2.9
648.41101	14.4
666.42151	13.6
674.42957	6.4
692.43848	27.7
693.44165	3.0
795.06708	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	4.8
63.88565	1.2
65.03946	2.7
67.05511	62.7
68.05030	4.8
69.03434	6.5
69.07070	14.4
69.30281	7.5
69.30677	3.3
70.06602	4.8
71.04994	4.1
73.02931	2.2
79.05500	49.9
80.05051	2.7
81.03424	70.5
81.07063	64.0
82.06590	5.9
83.04985	9.8
83.08625	20.3
84.04510	77.3
85.02898	9.9
85.06550	1.5
86.06071	1.9
86.09713	1.6
91.05489	43.8
93.07052	52.6
93.07644	2.6
94.06570	2.0
95.04970	22.6
95.08617	44.0
96.04504	19.3
97.02895	4.3
97.06533	5.6
97.10173	6.2
98.06065	2.3
99.08073	1.5
102.05545	18.9
105.04522	1.5
105.07040	27.0
107.04974	6.4
107.08609	25.7
109.06510	4.0
109.10163	18.0
110.06056	3.8
111.04443	1.4
111.08096	7.4
112.07623	2.6
114.05537	2.3
115.05480	1.5
116.91810	1.1
117.07025	9.0
119.08590	21.2
121.06511	3.6
121.10152	27.0
122.06029	1.3
123.08049	4.1
123.11729	6.9
124.03961	4.3
124.07628	2.3
125.09657	2.6
129.06984	8.0
130.05014	38.7
131.03438	1.1
131.08574	16.6
133.06509	3.3
133.10138	14.2
135.08006	2.0
135.11711	14.3
137.09608	2.8
137.13234	2.3
138.05540	1.8
139.11143	2.5
140.07082	1.9
142.05016	1.7
142.07805	2.2
145.10109	6.8
147.07758	5.0
147.11702	15.2
148.06056	73.4
149.08421	1.9
149.09625	33.3
149.13278	7.6
151.11226	1.7
152.07072	2.8
153.12715	1.5
155.08514	1.4
156.06621	1.8
157.10115	9.2
159.11705	6.1
161.13290	4.6
163.11185	5.6
163.14865	2.8
165.12726	1.9
166.12375	1.3
167.10709	4.6
173.13258	5.8
175.11227	8.2
175.14865	2.3
184.07411	1.3
184.13495	1.8
185.13316	1.9
187.14835	2.0
189.11212	1.8
193.12267	23.4
194.15413	4.7
201.16360	1.8
202.07295	2.1
204.13885	7.0
210.14857	2.7
211.13266	3.7
222.14969	6.8
227.12814	3.9
232.13446	2.2
235.13358	1.3
240.16054	1.5
243.21072	4.5
248.16415	1.8
249.14948	3.0
250.14415	47.9
251.14819	1.5
261.22156	18.7
267.15927	93.4
268.15570	9.4
276.15936	5.7
278.14011	1.4
294.16956	2.9
296.15042	1.2
301.25281	4.8
309.17157	1.6
312.18140	4.3
317.24762	4.9
320.41089	1.2
322.16333	1.3
330.69232	1.2
335.25824	100.0
336.26245	3.8
342.19226	1.5
370.18542	5.7
388.19696	2.2
406.20847	1.5
414.21210	2.7
432.22318	2.9
435.32541	2.3
453.33490	4.9
471.34546	3.0
527.37286	43.8
528.37726	1.6
528.93402	1.5
545.38477	23.2
546.38788	2.2
569.38446	2.1
616.34235	1.6
620.41406	4.2
630.40363	6.2
646.43390	3.3
648.41040	12.5
666.42273	15.0
674.42572	5.6
692.43738	22.6
763.19910	1.5
854.47247	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	5.8
61.13550	1.0
62.48501	1.1
65.03937	4.4
66.18169	1.2
67.05508	57.9
68.05033	2.8
69.03423	4.6
69.07067	15.3
69.30666	9.5
70.06580	3.9
71.04987	5.1
72.04546	1.5
73.02905	2.3
79.05495	50.3
81.03422	66.0
81.07060	58.7
82.06576	3.7
83.04987	7.3
83.08621	16.5
84.04507	81.9
85.02911	9.6
85.06532	2.4
86.06060	3.4
86.09715	2.4
87.04485	1.8
91.03963	1.5
91.05482	41.6
93.07049	44.1
94.06570	2.1
94.07372	2.1
95.04457	1.7
95.04980	20.7
95.08613	43.0
96.04493	17.9
96.08148	1.2
97.02885	5.1
97.06523	5.2
97.10176	6.4
97.54684	1.1
98.06030	2.4
99.08096	1.4
102.05547	21.2
103.05468	2.0
105.04534	2.0
105.07034	27.9
107.04949	5.3
107.08592	24.5
109.06520	5.1
109.10154	17.2
110.06046	2.9
110.09650	1.3
111.04414	3.1
111.08070	6.3
112.07622	2.7
114.05575	1.6
115.05431	2.1
117.06999	7.9
119.04929	1.4
119.07803	1.9
119.08597	23.8
121.06483	3.5
121.09331	2.0
121.10149	28.8
122.06042	1.4
123.04407	2.1
123.08091	3.1
123.11722	7.4
124.03967	3.6
124.07601	2.2
125.09618	2.8
126.05461	1.1
129.07004	7.4
130.05011	38.3
131.08574	18.8
133.06517	2.4
133.10139	11.3
134.06067	1.4
135.08061	2.5
135.11679	12.1
137.09587	2.8
137.13261	2.4
138.05461	2.3
138.12714	1.2
139.11198	2.4
140.07086	2.8
141.09184	1.2
142.07817	3.3
143.08533	2.9
145.10144	9.4
147.07697	7.2
147.11700	12.6
148.06058	80.6
149.09625	26.5
149.13248	6.5
151.11292	1.5
152.07063	3.2
156.06577	1.3
157.10149	8.0
159.11688	3.9
161.13222	5.2
163.11179	5.2
163.14819	4.1
165.12767	2.8
167.10649	3.1
173.13234	5.8
175.11223	9.8
175.14822	2.6
182.15396	2.3
184.07480	1.5
184.13364	1.4
185.13338	1.4
187.14841	3.2
189.11166	2.9
193.12247	22.3
194.15436	4.5
201.16432	1.8
202.07040	1.7
204.13824	5.1
210.14908	3.5
211.13297	1.7
222.14897	8.7
227.12776	3.3
227.52339	1.2
232.13361	3.0
243.21104	5.5
248.16425	1.6
249.14946	2.4
250.14392	43.2
251.14735	1.7
261.22147	21.6
262.22446	1.2
266.17645	1.4
267.15918	96.2
268.15613	7.1
276.15936	5.7
286.16492	1.4
294.17108	2.8
296.14716	1.6
301.25082	3.0
309.16965	1.9
312.18152	3.0
317.24649	2.2
322.16592	1.7
335.25806	100.0
336.26138	3.5
352.17505	1.8
360.20322	2.0
370.18427	6.1
370.22571	1.5
388.19769	2.8
396.20502	1.4
414.21207	1.9
421.25879	1.6
432.22244	2.7
435.32706	2.8
453.33643	5.4
471.34302	1.4
527.37329	45.6
528.37421	2.2
545.38373	26.8
546.38947	1.4
569.38458	2.3
620.41797	5.6
627.44153	1.2
630.40271	7.1
638.21552	1.3
646.43054	3.0
648.41119	10.9
653.75476	1.3
666.42041	17.8
674.42963	6.7
692.31512	1.5
692.43805	24.4
854.48303	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	871.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03957	1.7
67.00844	1.3
67.05184	1.7
67.05514	16.9
68.51624	1.4
68.94268	1.5
69.07071	5.9
70.26656	1.9
70.27001	5.1
70.95857	5.8
71.08638	7.4
71.93008	1.9
71.94891	1.5
72.93792	16.0
74.95372	1.6
79.05500	9.2
81.03411	6.1
81.07067	17.5
82.95852	2.1
83.04982	1.5
83.08622	4.1
85.10183	6.2
86.09694	1.9
88.96891	2.6
90.94827	9.2
91.05484	6.5
93.07043	8.9
95.04964	2.7
95.08609	16.5
97.10176	2.6
102.94816	2.9
105.07026	3.4
107.08595	2.8
109.10160	6.3
113.96420	2.7
114.94817	2.1
116.96386	4.7
119.08579	1.9
121.10144	4.2
123.11694	1.8
126.98454	5.3
128.96356	6.4
130.97885	4.6
131.08546	2.8
132.95844	22.4
133.10144	1.9
134.97447	2.7
135.11710	3.3
136.93159	4.0
136.95338	2.9
140.96315	2.6
142.97902	1.5
144.95860	8.4
144.99409	2.0
146.97382	10.8
150.96910	7.4
151.02095	2.4
154.94160	6.1
154.97879	2.1
155.97444	2.1
156.95853	2.7
157.72943	1.5
158.97392	11.8
162.96909	6.3
164.98497	34.6
164.99864	2.5
165.97166	2.3
170.97427	11.0
172.95282	8.7
172.99007	3.5
174.96959	2.8
176.98459	4.4
178.97887	2.9
182.97459	4.0
184.99031	4.1
187.99992	2.2
188.98485	9.4
190.96309	2.2
191.00095	2.9
192.97955	2.3
196.92046	2.3
196.99042	2.0
197.97086	2.0
198.96919	46.4
198.98761	2.9
200.98422	4.7
202.99957	2.5
206.97668	1.5
206.99390	7.6
214.93083	6.8
215.00101	2.4
216.97926	9.5
218.99516	5.0
227.22089	1.7
230.99551	8.2
233.01062	12.7
239.99638	1.8
242.99332	1.7
245.00912	2.3
252.94676	1.7
262.93082	28.9
263.61548	1.5
270.95682	5.4
273.00583	3.6
280.94205	13.4
280.96906	2.6
281.09842	4.4
283.11697	1.9
285.13617	1.5
285.94620	2.3
298.95218	25.5
298.98239	2.4
300.94571	2.4
312.96826	4.4
313.27377	60.7
316.99597	2.8
317.17844	5.8
318.95691	1.9
327.15924	2.6
329.11960	5.0
329.17758	9.1
331.13464	11.9
332.15393	1.9
333.15121	100.0
334.15277	3.1
335.22061	2.7
335.25793	36.1
336.96887	11.1
347.18839	4.1
352.19449	2.4
354.97858	14.3
372.98932	36.2
385.20288	3.1
407.18799	19.7
414.01675	3.0
449.19833	5.2
501.15860	2.8
573.18066	2.0
573.48535	6.1
593.21106	13.2
597.18201	1.9
603.46881	1.5
611.21881	59.9
612.21912	3.5
615.09338	2.3
615.19415	39.7
616.18860	2.8
629.22321	2.1
633.20361	57.3
634.21313	2.0
645.41022	2.1
652.23877	6.1
871.45868	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	861.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.6
67.05185	0.5
67.05508	6.4
68.05828	0.4
69.03435	3.6
69.07069	3.2
70.06569	0.8
71.04980	0.7
71.50974	0.4
73.02922	2.4
79.05083	0.4
79.05497	5.3
81.03421	6.4
81.07057	7.6
82.03745	0.5
82.07394	0.4
83.04982	1.3
83.08637	2.1
84.79882	0.3
85.02905	3.1
86.09692	1.0
87.04491	0.4
91.03942	1.7
91.05481	5.2
93.07040	7.1
94.07382	0.5
95.04984	2.0
95.08610	4.0
97.02885	3.9
97.06524	1.0
97.10155	0.6
99.04462	1.0
101.02388	1.3
101.59048	0.4
105.07017	3.2
107.04961	0.7
107.08607	2.4
109.06495	0.8
109.10162	1.8
117.07063	1.1
119.03568	0.9
119.08559	2.2
121.10147	1.6
123.08031	0.5
127.03926	1.1
129.07016	0.6
131.08565	1.5
132.08070	0.7
133.06480	0.5
133.10156	1.8
135.11699	1.4
136.06190	89.9
137.04576	1.2
137.05650	0.7
137.06613	10.6
142.33960	0.4
145.10117	0.9
146.04317	0.4
147.11662	1.2
149.09636	0.9
149.13232	0.8
157.10136	0.7
159.11722	0.4
161.13434	0.5
184.07332	1.1
185.04248	0.4
193.12297	1.6
243.08414	2.5
261.22141	0.4
267.15955	2.8
268.16275	1.3
320.36694	0.4
333.20352	2.5
335.25821	2.3
336.26233	1.5
389.22882	0.6
439.19504	1.2
445.25879	0.4
453.21356	0.8
528.37744	0.8
546.39148	0.6
551.28333	8.6
680.42877	0.4
681.43976	2.6
698.44482	0.7
699.45215	6.8
843.49091	1.5
861.49689	100.0
862.50031	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	861.497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86422	0.3
60.55907	0.3
61.02930	6.8
65.03973	0.4
67.05515	6.6
69.03432	4.7
69.07079	2.4
70.29035	0.3
71.01372	0.7
71.05008	0.6
71.51191	0.5
73.02921	5.4
79.05499	4.4
81.03423	4.2
81.07066	6.5
83.04967	1.2
83.08656	1.5
85.02914	6.8
91.03965	4.1
91.05491	3.2
93.07062	4.7
95.04987	1.4
95.08611	3.9
97.02904	6.0
97.06569	0.6
97.10155	0.5
99.04477	1.1
101.02404	2.5
103.03976	0.5
105.07041	2.2
105.61629	0.3
107.08611	2.5
109.02906	1.0
109.06580	0.4
109.10170	2.3
111.08115	0.5
114.06233	0.3
115.03963	0.7
117.07043	0.4
119.08598	1.8
121.10163	2.6
123.11703	0.6
127.03909	2.1
129.07051	0.5
131.08588	1.5
133.10187	1.1
135.11745	1.0
145.04999	0.5
145.10115	0.7
147.11752	0.9
149.09689	0.7
149.13361	0.4
157.10150	0.7
173.13313	0.5
184.07367	0.4
185.04341	1.0
193.12311	0.7
203.05159	0.3
204.59801	0.4
211.13342	0.5
243.08418	3.2
251.12621	1.0
267.15869	0.3
335.25845	0.5
365.19403	0.9
413.17917	1.3
425.17932	0.8
451.19196	0.6
469.20480	3.1
519.29346	10.0
539.24390	1.1
578.30762	0.4
583.26660	1.8
662.39441	0.4
691.40344	12.7
692.40381	1.1
717.42395	0.4
719.43567	0.9
731.43500	1.2
747.42896	5.7
817.47296	0.5
861.49969	100.0
862.50317	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	861.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
65.33474	3.3
71.04998	27.2
71.48824	3.9
85.02881	4.8
97.02908	3.3
127.11208	100.0
137.05983	3.4
142.64760	2.9
150.37968	2.9
151.07561	5.1
177.09113	8.9
180.94826	3.1
233.15410	14.9
251.16437	64.9
450.70197	7.8
617.45251	3.1
667.29102	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	861.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55669	0.4
61.02927	5.8
65.03967	0.4
67.05145	0.3
67.05505	7.5
69.03431	3.6
69.07055	1.0
70.10520	0.8
70.10913	1.0
71.05010	0.8
73.02920	4.5
79.05493	2.6
81.03415	1.6
81.07052	4.3
83.04972	0.6
83.08619	1.1
85.02906	5.7
87.04441	0.7
89.06039	0.5
91.03949	3.8
91.05477	1.9
93.07069	2.8
95.04971	0.4
95.08610	3.3
97.02903	5.8
99.04470	1.0
101.02386	1.9
103.03952	0.9
105.06986	1.1
107.08585	1.5
109.02900	0.8
109.10168	4.4
115.03941	0.5
119.08585	0.7
121.10156	2.1
121.77687	0.4
123.11665	0.6
127.03883	2.1
129.05525	0.6
131.08563	0.8
133.10141	0.6
135.11674	1.0
139.86926	0.4
145.05037	0.5
159.11705	0.4
159.71068	0.4
167.06969	0.5
173.11790	0.8
173.13225	0.5
184.07430	0.9
185.04274	1.7
191.14449	0.4
195.09900	0.6
201.03676	0.4
203.05389	0.6
243.08432	2.3
251.12517	0.8
301.08893	2.1
315.10327	0.7
335.25842	1.1
372.26068	0.5
372.41641	0.5
373.11316	1.3
385.18201	2.0
413.17899	5.9
455.18155	0.6
467.87021	0.4
469.20441	1.2
519.29254	10.7
578.30908	3.4
591.31628	1.5
661.39319	0.6
662.39917	1.7
691.40289	100.0
692.40668	6.5
717.41876	1.3
719.44012	2.5
747.43317	2.6
861.50446	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	860.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48679	0.2
61.02935	2.0
63.79028	0.2
65.03943	0.3
67.05188	0.4
67.05510	5.0
69.03416	0.9
69.07056	1.0
69.41975	0.6
69.42397	1.1
71.01367	0.2
71.04974	0.5
73.02901	0.8
79.05499	4.2
80.48623	0.2
81.03422	6.8
81.06598	0.3
81.07062	4.4
83.04988	0.6
83.08624	2.0
85.02912	1.4
86.09689	0.4
91.03954	0.9
91.05495	3.5
93.07051	4.1
95.04969	2.2
95.08612	3.2
97.02889	1.4
97.06560	0.4
97.10178	0.5
105.04523	0.3
105.07030	2.0
107.04958	0.6
107.08614	1.9
109.06525	0.4
109.10160	1.3
109.82939	0.3
111.08083	0.8
113.04086	0.2
117.07014	0.6
119.03531	1.0
119.05280	0.5
119.08585	1.9
121.06499	0.3
121.10157	1.8
123.11742	0.5
124.99979	0.5
127.03904	0.2
129.07019	0.9
130.04987	0.3
130.08681	0.2
131.08601	1.5
133.06543	0.4
133.10155	0.9
135.11674	0.5
136.06195	100.0
137.04617	1.6
137.06564	0.6
142.07825	0.4
144.66628	0.2
145.10153	0.5
147.11691	0.9
149.09648	0.4
149.13293	0.4
157.10103	1.0
159.11729	0.4
161.04692	0.2
161.13231	0.4
165.12750	0.2
167.31607	0.2
174.07768	0.3
175.11214	0.9
175.27600	0.3
178.07274	0.4
180.19351	0.2
184.07384	2.0
187.14827	0.2
193.12260	2.1
211.13383	0.3
249.14442	0.2
261.22165	0.7
267.15927	4.0
305.26013	0.3
335.25830	4.6
336.26114	0.3
346.18835	0.9
420.22504	0.5
430.73080	0.2
432.46191	0.2
527.37317	1.1
545.38519	0.7
551.28448	0.3
680.43756	5.8
681.44373	0.3
698.44910	16.1
699.45081	0.9
746.29761	0.3
842.49139	2.5
860.49768	9.5
861.49884	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	860.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	1.3
65.03941	0.1
67.05510	3.2
69.03438	0.7
69.07078	0.7
69.84380	0.5
71.04977	0.2
72.39114	0.1
73.02916	0.5
76.49693	0.1
79.05501	2.9
81.03422	5.2
81.07066	3.2
83.04967	0.4
83.08631	1.2
85.02910	0.9
85.06519	0.1
85.53347	0.1
86.09676	0.1
91.03966	0.5
91.05486	2.2
91.42564	0.1
92.02522	0.2
93.07052	2.5
95.04967	1.5
95.08619	2.0
97.02914	0.9
97.06554	0.2
97.10193	0.3
99.04491	0.2
99.08118	0.1
99.66462	0.1
105.07044	1.2
107.04949	0.3
107.08601	1.2
107.25185	0.1
109.06527	0.3
109.10176	1.0
111.08099	0.3
117.07040	0.3
119.03548	1.4
119.08601	1.2
121.06493	0.3
121.10143	1.0
123.08110	0.1
123.11699	0.3
127.03928	0.2
129.07019	0.6
131.08551	0.8
133.06586	0.2
133.10132	0.6
135.11722	0.5
136.06197	100.0
137.04599	1.1
137.06635	0.7
137.09627	0.2
142.07765	0.2
145.10150	0.3
147.11702	0.8
149.09634	0.2
149.13261	0.3
157.10112	0.6
159.11693	0.3
161.13237	0.2
163.11270	0.1
173.13309	0.2
173.84981	0.1
174.07692	0.1
175.11249	0.4
178.07304	0.2
184.07379	0.4
193.12251	1.2
243.21165	0.1
249.14967	0.2
261.22192	0.9
267.15924	3.9
298.11374	0.1
335.25809	3.8
336.26083	0.2
527.37476	1.3
545.38171	0.6
551.28308	0.3
680.43884	1.3
681.43500	0.2
698.44836	4.3
699.45233	0.3
737.36279	0.1
842.49182	1.3
860.49915	2.5
861.49725	2.4
885.98309	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	860.5025
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	0.9
65.03933	0.2
67.02995	0.1
67.05185	0.2
67.05517	2.9
69.03436	0.6
69.07050	0.5
69.54661	0.8
71.01345	0.1
71.04997	0.2
73.02914	0.5
75.90797	0.1
77.04433	0.1
79.05072	0.2
79.05505	2.1
81.03424	5.2
81.07059	2.6
83.04975	0.5
83.08631	1.3
85.02917	0.8
85.06543	0.1
86.09690	0.1
91.03949	0.5
91.04964	0.2
91.05490	2.2
92.02490	0.2
93.07053	2.7
94.04016	0.1
95.04974	1.6
95.08619	1.9
97.02882	0.9
97.10195	0.2
97.42274	0.1
105.07027	1.3
107.04957	0.4
107.08617	1.1
108.98665	0.1
109.05112	0.2
109.06542	0.2
109.10152	0.6
111.04501	0.2
111.08072	0.4
117.07011	0.3
119.03557	1.5
119.05296	0.1
119.08593	1.1
121.06464	0.2
121.10157	1.1
123.11707	0.2
125.00076	0.1
127.03948	0.1
129.07024	0.8
131.08592	1.0
133.06526	0.2
133.10149	0.5
135.11694	0.5
136.06198	100.0
137.04619	1.1
137.06696	0.6
137.09579	0.2
137.28618	0.1
142.07689	0.2
145.10127	0.4
147.08084	0.2
147.11703	0.4
149.09662	0.2
149.13229	0.3
152.05690	0.3
157.10103	0.6
159.11732	0.3
163.14845	0.2
165.12723	0.1
171.98247	0.1
173.13287	0.3
175.11246	0.5
178.07297	0.2
182.17773	0.1
184.07391	0.4
192.08507	0.1
193.12259	1.1
227.12862	0.2
243.21085	0.2
261.22220	0.6
267.15930	4.2
278.28836	0.1
296.97375	0.1
335.25818	2.8
336.25916	0.1
491.57019	0.1
505.40009	0.1
525.81146	0.1
527.37531	1.3
545.38397	0.8
680.43945	1.6
698.44879	4.1
699.45667	0.2
842.49023	1.3
860.49457	3.5
861.49225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	1.3
65.03934	0.3
67.02992	0.2
67.05180	0.3
67.05511	4.5
69.03425	0.6
69.07073	1.1
70.66366	0.4
70.66764	0.4
73.02919	0.7
79.05503	3.5
81.03426	6.2
81.07066	4.0
83.04973	0.5
83.08622	1.8
85.02918	1.1
86.09701	0.4
91.03960	0.4
91.05482	2.7
93.07047	3.6
95.04979	1.9
95.08607	2.4
97.02883	1.0
101.02360	0.3
105.07042	2.2
107.04948	0.6
107.08573	1.4
109.06516	0.3
109.10175	0.6
111.04446	0.3
111.08056	0.8
115.05474	0.3
117.07037	0.3
119.03562	1.4
119.08604	1.6
119.74265	0.1
121.06492	0.4
121.10128	1.4
123.08031	0.2
123.11722	0.4
129.07018	0.7
131.08574	1.3
133.06569	0.3
133.10127	0.7
135.11684	0.6
136.06195	100.0
137.04607	1.2
137.06528	0.6
145.10136	0.4
147.08083	0.2
147.11674	0.9
149.09673	0.4
149.13254	0.3
157.10149	0.7
161.13293	0.3
173.13272	0.4
174.07744	0.2
175.11151	0.8
178.07269	0.5
184.07362	1.3
193.12288	1.9
210.09796	0.2
211.13245	0.3
220.28767	0.2
261.22189	0.7
267.15921	3.6
335.25815	3.8
336.26215	0.3
346.18723	1.0
356.27866	0.2
396.75937	0.2
420.22372	0.7
445.24765	0.2
527.37292	1.3
545.38464	0.6
680.43866	4.2
681.44287	0.2
698.44910	13.0
699.44958	0.8
842.49042	2.1
860.50275	5.3
861.50708	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4819
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02925	3.0
65.03957	0.6
67.05182	0.5
67.05511	6.4
69.03430	3.5
69.07066	4.2
71.04993	0.5
73.02933	2.3
79.05491	5.6
80.05846	0.3
81.03416	2.5
81.07063	7.2
82.07412	0.4
83.04966	1.0
83.08636	1.7
85.02914	3.1
91.03936	1.7
91.05481	3.8
93.07040	5.3
95.04991	1.4
95.08614	3.3
97.02908	3.0
97.06532	1.5
97.10183	1.8
99.04465	0.5
101.02400	1.1
105.07028	2.5
107.04953	0.9
107.08593	2.7
109.02926	0.7
109.06559	0.9
109.10195	2.4
113.02374	0.4
117.07028	1.9
119.05279	0.5
119.08596	2.1
120.08096	0.4
121.06552	0.6
121.10159	1.3
123.08070	0.6
125.00008	0.4
125.09648	1.3
127.03972	0.6
129.07025	0.8
131.08566	1.7
133.10178	1.0
135.08101	0.9
135.11720	1.1
137.09552	0.5
145.10143	1.0
147.11702	0.7
148.86101	0.4
149.09625	0.5
149.13297	0.9
159.11682	0.6
161.09628	0.5
171.11774	0.5
175.11284	0.4
184.07458	1.4
185.04262	0.6
223.13373	1.3
229.14333	0.6
243.08420	3.7
273.18646	0.8
291.19659	1.6
331.18906	1.1
333.20468	1.3
335.25882	1.5
336.26306	1.5
389.23187	0.6
439.19321	0.7
453.21158	0.7
469.20935	0.5
488.97308	0.4
549.26807	5.7
551.28333	5.6
552.28943	0.5
625.44922	0.4
626.44745	0.7
644.45923	0.6
841.47815	0.4
859.48126	100.0
860.48608	7.6
891.39124	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.5572
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	3.7
65.03938	2.9
67.05507	100.0
69.03418	3.9
69.07070	15.3
71.04978	5.7
71.08620	1.4
71.51391	1.3
73.02914	3.6
79.05496	44.4
81.03422	6.5
81.07058	51.7
83.04991	7.1
83.08622	14.6
85.02899	10.3
85.06537	3.7
87.04475	4.4
91.03966	1.5
91.05483	25.5
93.07050	39.1
93.07643	2.0
95.04967	5.1
95.08608	38.2
97.02904	3.0
97.06535	5.5
97.10172	13.8
105.04533	1.7
105.07036	15.5
107.04952	2.4
107.08601	25.5
109.06537	2.7
109.10162	54.9
110.10506	1.1
111.04446	2.0
111.08081	3.8
117.07027	5.3
119.08585	13.8
121.06499	1.7
121.10155	15.9
123.08064	2.9
123.11687	5.8
125.09630	13.4
126.05722	1.1
129.07007	2.5
130.07851	1.7
131.08585	8.9
133.10144	9.0
135.11693	10.9
137.09618	4.0
137.13318	1.4
143.10696	2.0
145.10130	9.4
147.08055	1.8
147.11679	5.5
149.13304	5.9
152.01927	1.1
153.12717	3.0
155.08502	1.5
155.10680	4.0
157.51242	1.0
159.11707	4.7
161.13272	4.6
163.11220	7.3
163.14795	1.6
171.11620	2.2
173.09598	2.0
173.10352	1.5
173.11748	13.6
173.13287	5.0
175.14751	1.2
177.16428	1.1
181.12314	2.2
184.07341	2.2
185.21640	1.0
187.14873	3.1
189.11119	1.4
189.16228	1.0
191.10735	2.1
193.12376	1.2
199.13345	7.0
209.11707	7.1
227.12836	7.4
229.14375	37.7
243.21086	5.0
259.20233	1.6
260.25040	1.3
261.22125	17.5
267.15848	1.5
283.15369	2.5
301.16376	12.6
317.24548	3.0
335.25806	81.8
336.26151	2.1
401.25397	9.5
477.35718	6.4
489.35733	20.6
543.36761	1.8
561.37799	7.1
579.38611	1.6
661.46930	12.6
701.09998	1.3
858.53766	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.1
65.03932	0.8
67.05509	10.9
67.05859	0.4
69.03421	3.7
69.06777	0.5
69.07076	5.1
70.53446	1.9
71.05000	1.0
73.02935	3.3
79.05058	1.0
79.05495	8.4
81.03435	2.6
81.07058	10.4
82.07390	0.6
83.04991	2.0
83.08644	1.3
85.02905	3.1
86.09737	0.7
91.03984	1.3
91.05487	6.5
93.07045	7.8
95.04987	2.0
95.08618	5.1
96.08926	0.7
97.02901	5.2
97.06541	1.8
97.10180	1.4
99.08111	0.7
101.02407	1.5
105.07027	4.9
107.04972	0.7
107.08604	4.2
107.63090	0.5
108.08946	0.7
109.06540	1.4
109.10152	3.7
111.08125	0.5
117.07061	2.0
119.08580	4.1
121.06562	0.8
121.10162	2.4
121.77959	0.5
123.08110	1.1
123.11691	0.9
125.00027	0.6
127.03960	1.0
129.07045	1.1
131.08591	2.4
133.10147	3.5
135.11708	2.0
145.10190	1.9
147.11745	0.9
149.13321	0.9
151.11217	1.0
157.10268	0.5
159.11690	0.7
163.11176	0.8
175.11360	0.6
184.07391	2.1
185.04236	0.5
185.07777	0.5
189.11247	0.6
227.23233	0.5
229.14388	0.7
243.08356	3.6
267.16165	0.5
269.17578	0.7
273.18323	0.6
291.19678	2.0
303.28851	0.6
307.48492	0.5
331.18924	1.4
333.20416	1.4
335.25873	3.0
336.26349	1.2
355.15457	0.6
439.19623	1.1
453.21140	1.0
499.38937	0.6
517.39307	1.4
549.26746	4.7
551.28302	5.2
584.52191	0.6
626.45111	1.8
859.48108	100.0
860.48407	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	857.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07023	0.3
70.06570	0.3
71.50460	0.3
85.02951	0.2
94.06580	0.5
95.04948	0.3
108.03814	0.3
108.04486	3.2
108.08071	0.3
112.07581	0.2
122.06009	0.8
124.07555	0.3
136.07579	1.6
138.05470	0.8
140.07053	1.5
143.08328	0.2
146.06021	1.7
147.06761	0.2
148.03999	0.5
148.07535	0.8
150.05511	0.5
162.05566	0.2
164.07050	0.5
166.04942	0.7
166.08566	0.2
168.06580	4.3
172.07695	0.3
174.05502	0.8
181.08846	0.3
184.11133	0.3
195.09145	0.2
196.11324	0.3
198.09190	0.3
198.36659	0.2
199.08638	1.0
204.06596	0.7
206.08090	1.4
210.07803	0.3
211.08646	5.8
211.11995	1.0
212.09312	1.2
213.10307	1.5
214.10941	0.3
221.10757	1.1
222.09204	1.1
222.11276	0.3
223.08652	1.1
223.12126	0.5
224.11061	1.8
225.10226	4.8
226.08998	0.3
226.10802	1.1
227.08160	1.0
227.11739	0.6
237.10158	0.5
239.08064	0.9
239.11812	8.1
240.08958	0.8
240.12457	0.5
241.09685	2.3
241.13399	1.4
242.10510	0.6
249.10266	0.9
250.08633	1.4
250.10922	0.3
251.08107	1.3
251.11836	0.7
252.09079	1.6
253.09735	5.2
254.10434	0.7
255.11302	0.7
257.12869	0.8
259.14481	0.6
266.10425	0.4
267.07996	0.5
267.11298	12.7
268.11914	1.0
269.12836	2.4
278.08133	0.7
281.09271	0.8
283.10696	0.5
284.11618	0.6
285.09262	0.4
285.12350	1.5
287.13861	1.3
295.07706	0.4
295.10794	6.1
296.08936	0.4
297.12476	1.2
301.11966	0.4
303.13480	0.6
305.14957	3.8
306.07291	0.2
313.11832	39.9
314.12244	1.7
315.13376	0.4
323.10257	1.9
324.11560	0.3
327.13187	0.4
341.11343	18.8
342.12091	1.9
343.12738	0.4
355.12918	2.1
359.12463	2.2
373.13962	100.0
374.14258	3.6
374.18625	0.4
375.15512	0.7
446.51440	0.3
601.26019	0.4
627.24475	0.6
645.25629	2.9
659.27283	0.9
677.27917	1.5
690.58044	0.3
807.30566	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78709	1.9
60.90026	2.3
61.02929	2.8
65.03928	5.9
67.05507	82.9
69.03427	11.4
69.07071	42.7
69.63545	3.8
69.63959	7.3
71.04995	5.5
71.34319	1.9
78.91142	2.0
79.05497	70.5
81.03421	18.0
81.07059	100.0
83.04988	14.9
83.08625	20.5
85.02900	6.4
85.06544	5.9
86.09752	2.4
91.05480	76.2
93.07045	75.0
95.04981	15.2
95.08611	48.8
97.02909	4.2
97.06536	22.4
97.10177	12.5
98.20783	3.7
99.08089	5.6
105.04495	4.8
105.07034	54.1
107.04967	10.7
107.08595	49.6
109.02901	3.8
109.06519	10.7
109.10152	21.5
111.08086	9.0
113.09682	3.6
115.05511	4.2
117.07014	29.0
119.08587	41.4
121.06536	5.1
121.10154	25.9
123.08045	7.9
123.11692	5.8
125.09618	9.0
127.03937	3.3
128.06184	2.7
129.06995	14.0
130.07751	3.1
131.08586	35.4
131.46510	1.8
133.06477	3.7
133.10126	30.1
135.08078	10.3
135.11702	21.8
137.09599	3.8
139.11194	2.5
141.07022	4.1
142.07819	3.2
143.08548	11.8
145.06522	4.1
145.10126	31.2
147.08057	3.4
147.11685	15.0
149.09616	17.2
149.13261	15.7
151.11142	3.4
155.08568	7.7
157.10104	10.2
159.11694	24.6
161.09627	3.1
161.13268	9.0
163.11176	16.3
164.24818	2.1
165.09178	2.3
165.12706	3.8
167.08632	2.4
169.10155	8.8
171.10251	2.3
171.11737	8.2
173.04553	4.9
173.11890	2.4
173.13197	11.3
175.11273	2.4
175.14832	2.0
177.12776	8.6
179.14305	5.1
181.10072	3.4
181.12268	3.6
183.11711	7.2
183.36151	2.3
184.07433	2.2
185.13345	4.8
187.11209	1.9
187.14861	4.1
189.11182	4.6
195.11815	4.6
195.13821	9.8
197.13319	5.7
199.14915	4.0
215.14420	3.2
217.15927	2.7
223.14888	2.1
227.12781	11.7
229.14355	3.1
229.19519	3.2
233.15208	2.0
239.17970	5.5
247.20641	2.5
255.15891	16.7
257.18988	16.4
267.15970	3.5
269.17407	32.8
270.17908	2.7
275.20074	52.4
291.19577	4.0
293.21082	8.7
309.20569	5.7
313.21774	2.2
321.24130	3.4
331.22638	5.0
349.19846	2.8
349.23752	41.9
367.24774	6.0
413.21680	3.6
435.28183	2.9
440.20944	2.3
447.30923	2.9
449.28998	14.3
463.30560	23.3
469.33124	4.0
488.07468	2.2
503.33063	3.1
519.33075	2.1
525.35651	4.9
529.35535	9.7
543.36902	34.4
561.37933	5.0
623.43066	7.5
641.43488	3.1
687.41364	2.7
794.42828	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	856.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	2.2
65.03936	5.6
67.05513	83.9
68.05829	1.7
69.03450	11.4
69.07075	40.5
69.77197	1.5
70.78682	1.8
70.95979	4.9
71.04994	7.7
73.02884	2.1
79.05502	72.2
81.03428	14.4
81.07065	100.0
83.04987	18.5
83.08624	18.0
85.02899	7.0
85.06543	5.8
91.05490	72.5
93.07054	81.5
93.07639	4.1
95.04990	15.0
95.08615	44.7
97.02898	6.5
97.06530	21.4
97.10182	11.7
98.90761	1.7
99.04462	4.2
99.08065	4.7
103.05412	2.8
105.04516	2.3
105.07040	47.6
107.04975	12.5
107.08610	49.7
109.02869	3.0
109.06519	8.4
109.10174	17.6
111.04445	2.6
111.08092	6.5
115.01734	1.7
115.05439	2.3
117.07029	25.1
119.08589	40.5
121.06512	6.3
121.10158	25.3
123.08067	5.2
123.11687	6.7
125.09645	9.7
127.03887	4.7
127.07516	2.1
128.06223	3.9
129.05486	2.3
129.07028	10.1
131.04890	1.8
131.08575	28.4
133.10152	31.7
134.42845	1.8
135.08054	7.5
135.11713	26.9
137.09624	4.7
141.07065	3.3
143.08571	8.9
144.09245	2.6
145.10136	24.1
147.08034	3.9
147.11682	17.8
148.11984	2.2
149.09642	20.0
149.13263	17.9
151.11220	3.9
154.07803	2.0
155.08592	5.6
155.53650	1.9
157.10126	9.6
159.08046	3.9
159.11713	27.5
161.13232	6.5
163.11185	12.1
165.12708	4.6
169.10147	5.7
171.11694	7.3
173.04439	2.5
173.13297	7.9
175.11246	3.5
177.12790	7.8
179.14302	5.5
181.10129	2.9
181.12201	2.9
183.11736	3.1
184.07362	2.3
185.13338	3.7
187.14777	2.5
189.11229	3.2
189.12764	1.8
191.14470	2.7
195.13753	11.7
197.13316	3.4
201.16374	2.3
213.14777	2.6
227.12781	10.6
229.14188	3.2
229.19553	3.2
235.16718	2.3
239.17848	4.1
247.20686	4.7
255.15883	13.3
257.18988	13.7
259.20840	2.1
259.50748	2.0
267.15945	5.6
269.17484	51.9
273.18570	3.3
275.20108	53.1
291.19421	4.3
293.21109	4.9
322.57587	1.9
331.22659	4.2
349.19724	3.6
349.23776	38.9
367.24890	6.6
389.26657	2.2
431.27704	2.6
435.27664	2.3
445.29715	2.5
447.31628	2.6
449.29080	23.0
458.22488	2.0
463.30545	34.1
525.35486	5.0
529.35437	9.9
535.94678	2.0
543.29486	3.2
543.36987	38.2
561.37994	6.6
607.34583	2.3
623.42932	5.8
641.43164	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	856.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	3.5
65.03939	5.0
67.05505	100.0
69.03416	2.7
69.07067	16.7
69.30454	0.9
69.85177	5.3
71.01354	1.7
71.04981	5.0
73.02921	2.7
77.09313	1.0
79.05494	43.4
81.03430	8.6
81.07058	60.5
83.04992	5.6
83.08621	13.1
84.08125	0.8
85.02903	12.3
85.06535	3.3
87.04458	3.9
91.03954	1.7
91.05485	27.4
93.07043	41.0
95.04975	5.3
95.08610	38.8
97.02888	3.5
97.06549	5.8
97.10164	13.0
103.03922	1.6
105.04504	2.0
105.07030	18.3
107.04977	2.7
107.08592	25.4
109.06528	3.7
109.10162	60.3
110.10475	1.4
111.04420	1.4
111.08076	3.3
117.07034	6.8
119.08585	15.8
121.10149	21.2
123.08065	2.7
123.11702	4.7
125.09637	12.7
127.03927	1.3
129.05434	1.6
129.06975	2.1
131.08551	9.1
132.25119	1.2
133.10124	8.5
135.11723	10.2
137.09613	2.7
137.13254	1.0
143.10692	2.1
145.10100	9.0
147.11688	5.6
149.09586	1.8
149.13239	5.1
153.12737	2.9
155.10657	4.3
157.10033	1.6
159.11659	4.7
161.13274	3.7
163.11156	5.5
163.14780	2.6
171.11752	1.0
173.09607	1.3
173.10356	1.2
173.11748	12.7
173.13268	3.3
175.11134	1.6
175.14853	2.0
181.12228	1.5
187.07552	0.9
187.14830	2.1
191.10693	2.2
193.12262	1.9
195.13768	1.5
199.13286	5.0
209.11748	4.3
217.14377	1.1
227.12814	4.9
229.14354	38.8
230.14642	1.1
243.21062	3.8
257.13782	1.3
261.22144	14.4
262.22342	1.3
263.36755	1.0
267.15906	3.4
285.17096	1.0
301.16498	10.2
317.24799	2.5
335.25812	64.3
336.26221	1.9
399.23813	7.1
459.34741	1.9
477.35727	3.7
489.35779	14.8
529.38934	2.5
560.64014	1.1
561.37988	5.3
579.38531	1.8
659.45020	8.6
881.77789	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.5
62.39285	1.0
65.03934	3.2
67.05509	88.2
69.03443	5.4
69.07072	25.3
71.00430	1.5
71.00763	1.4
71.01380	1.3
71.05016	5.9
73.02925	1.2
79.05500	52.1
80.54633	0.9
81.03424	71.5
81.07063	69.9
82.07397	1.1
83.04987	7.9
83.08157	1.4
83.08631	21.0
85.02924	6.0
85.06544	2.4
87.04462	1.1
91.03953	1.2
91.05484	38.7
92.05840	1.1
93.07051	56.4
95.04980	26.2
95.08614	44.6
97.02887	4.4
97.06544	7.2
97.10174	8.6
99.04464	1.2
99.08100	2.2
105.04531	2.0
105.07038	29.4
107.04963	6.2
107.08604	32.4
107.09315	2.2
109.06524	5.3
109.10166	30.3
111.04457	2.3
111.08086	7.6
111.11706	2.3
115.05461	2.8
117.07012	8.6
119.08595	23.9
121.06518	2.8
121.10149	29.1
123.04461	2.1
123.08099	2.9
123.11731	7.1
125.09644	6.1
127.02543	0.9
129.05516	1.5
129.07005	9.9
131.08569	20.9
133.06522	2.0
133.10155	16.9
135.08105	2.0
135.11713	14.6
137.09637	4.8
137.13266	1.7
139.06624	1.2
139.11201	2.8
142.07774	2.7
143.08591	2.2
145.05023	1.1
145.10115	14.4
147.08070	3.6
147.11713	13.0
149.09651	5.0
149.13283	8.7
153.12685	1.6
155.08553	2.1
155.10704	1.5
157.10164	9.9
159.11719	8.2
161.13309	5.2
163.11206	6.4
163.14848	4.0
165.12773	2.4
169.10074	1.8
171.11662	2.4
173.04457	1.1
173.09615	1.5
173.11777	4.3
173.13293	7.1
175.11212	7.2
175.14778	3.1
181.12224	1.7
183.11674	1.3
185.13239	2.0
187.14871	2.9
189.11215	2.7
191.10732	1.1
193.12247	21.2
197.13498	1.1
199.14810	1.3
211.13249	4.7
227.12759	7.5
229.14365	12.7
235.13324	1.0
243.21115	6.7
249.14851	2.2
261.22198	20.0
267.15939	77.6
268.16266	1.9
275.20114	2.7
281.17377	1.3
285.16922	2.3
289.17838	1.4
299.23328	1.1
301.16498	1.7
301.25299	3.3
309.16907	1.2
315.23203	1.1
317.24844	4.7
335.25818	100.0
336.26212	2.9
349.23358	1.9
359.25586	1.2
363.21515	2.1
381.22647	3.0
399.23807	8.0
421.25708	1.1
435.27142	1.5
435.32556	4.4
453.33582	5.0
471.34790	3.5
489.35770	4.8
497.30698	1.1
523.62323	1.1
527.37408	40.8
528.37683	2.5
529.38782	3.2
545.38379	23.8
561.37982	1.6
569.38202	2.2
641.44080	6.7
659.45044	8.5
857.46222	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	856.5241
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	4.2
67.05509	76.6
69.03430	4.6
69.07079	15.6
69.73839	4.2
71.04997	1.7
73.02915	3.1
79.05498	48.0
81.03407	4.2
81.07059	68.0
83.04967	3.0
83.08636	9.9
85.02895	1.8
85.06542	1.6
91.05489	34.5
93.07052	57.3
95.04971	3.7
95.08613	60.3
97.06533	3.9
97.10171	3.8
99.04481	1.7
99.08093	2.1
102.24606	1.2
105.04534	1.3
105.07031	22.1
107.08602	28.8
109.02869	4.6
109.06537	3.0
109.10159	22.8
110.03647	1.3
111.04433	2.9
117.07018	10.5
119.08604	19.1
121.10159	27.2
123.08084	1.8
123.11699	11.7
125.09621	1.8
127.03949	3.0
129.07036	2.3
131.08585	14.4
132.99599	2.2
133.10152	16.1
135.08025	1.3
135.11700	18.2
137.13258	2.4
143.08475	3.2
145.10132	11.9
147.11685	13.1
149.13272	14.7
151.14902	2.2
159.11743	10.8
161.13255	11.6
163.14835	5.6
171.11665	3.5
173.13252	9.4
175.14841	5.4
177.12758	1.7
185.13225	3.0
187.14818	6.1
189.16351	1.7
191.00172	2.1
199.14861	2.1
201.16451	2.7
206.66008	1.5
215.51752	1.3
241.19476	3.7
243.21126	8.6
258.08932	2.6
259.20615	8.8
261.22171	31.8
263.23672	2.9
302.76495	1.4
317.24872	4.8
333.24179	6.9
335.25827	100.0
336.26096	2.0
337.27396	8.9
353.26816	3.8
521.43262	2.0
561.27277	19.2
595.39807	1.6
595.47345	13.9
613.48340	7.9
650.89276	1.6
658.24341	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	2.7
64.68378	1.3
65.03941	3.4
67.05510	100.0
69.03419	3.6
69.07080	15.0
69.17648	2.0
69.18054	9.9
71.04992	4.7
73.02920	2.1
74.61330	1.0
79.05499	47.9
81.03435	7.8
81.07063	59.2
83.04976	4.7
83.08626	14.4
85.02921	11.6
85.06537	3.7
85.18876	1.1
87.04460	5.3
91.05489	22.0
93.07050	44.1
95.04974	5.6
95.08614	40.3
97.02904	4.8
97.06531	3.5
97.10161	13.1
98.21626	1.9
99.08102	1.7
103.03907	1.5
105.04570	1.3
105.07046	15.8
107.04970	2.5
107.08602	25.8
109.06495	2.8
109.10168	52.0
111.04442	1.8
111.08072	4.3
117.07018	5.9
119.08582	13.3
121.06477	1.3
121.10143	17.2
123.08067	3.0
123.11687	5.0
125.09645	12.2
128.68022	1.1
129.05424	2.2
129.06989	1.4
131.08578	10.1
133.10143	10.7
135.08058	1.7
135.11688	11.6
137.09628	2.9
143.08636	1.1
143.10699	1.2
145.10133	10.0
147.08075	1.8
147.11707	5.2
149.13277	5.4
153.12712	2.7
155.10661	5.5
157.10150	1.6
159.11670	4.0
161.13240	4.0
163.11197	7.7
163.14861	2.0
173.11751	10.9
173.13307	3.7
174.89832	1.2
175.11118	1.2
181.12207	4.1
187.14728	3.1
189.11049	1.0
191.10669	2.0
193.12193	1.8
193.47513	1.3
199.13293	5.4
201.16414	1.4
209.11717	4.3
217.14346	2.3
227.12656	5.5
229.14362	40.6
243.21056	3.8
257.13831	2.1
261.22171	14.2
263.24115	1.4
267.15872	4.0
283.15591	1.6
301.16455	14.4
317.24741	2.8
335.25812	74.7
336.26102	2.7
399.23764	14.1
477.35849	6.4
489.35681	18.5
543.36823	2.4
561.37823	4.6
579.38745	3.4
641.44586	1.4
659.45367	17.6
660.46014	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5242
Annotation	Unknow
Peak:m/z	Relative Intensity
61.21172	2.6
67.05508	81.9
69.07076	19.3
71.50504	3.4
71.50893	3.2
75.19038	2.2
79.05498	50.3
80.27279	2.7
81.03451	4.8
81.07063	80.2
83.04967	3.5
83.08628	8.0
85.02881	2.7
91.05488	39.2
93.07053	56.8
95.04980	6.5
95.08614	66.0
97.06514	3.7
97.10164	3.3
99.04484	3.2
105.07043	21.4
107.05031	3.1
107.08598	35.2
109.02888	4.6
109.10159	25.9
111.04460	7.2
117.07034	9.0
119.08591	21.1
121.10150	26.2
123.11725	11.1
126.22283	2.5
127.04015	2.9
129.07005	2.8
131.08578	15.4
133.10135	15.3
135.11664	18.4
137.13261	5.1
145.10095	13.0
147.11668	13.9
149.13254	12.2
159.11752	13.9
160.11229	5.7
161.13246	10.9
162.65785	3.0
163.14796	6.2
170.99380	2.8
171.11809	4.1
173.13298	11.7
175.14946	5.3
187.14868	4.9
241.19482	3.0
243.21095	10.6
258.09039	9.1
259.20526	8.0
261.22147	31.8
317.24765	4.2
333.24216	5.0
335.25833	100.0
336.26099	4.8
337.27316	9.6
408.14905	3.0
561.27124	16.2
595.47736	14.9
613.48071	8.0
633.17303	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	854.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	8.1
65.03938	4.4
67.05509	73.8
68.05814	1.7
69.03434	14.5
69.07072	42.6
71.05009	7.4
71.06263	3.4
73.02938	5.8
79.05496	63.8
81.03423	16.5
81.07063	82.6
83.04994	13.9
83.08619	14.9
83.93025	1.4
85.02904	8.1
85.06563	6.1
86.09711	1.7
91.03970	3.8
91.05488	68.3
93.07049	63.9
93.07643	2.6
94.07394	1.7
95.04981	15.2
95.08616	33.8
95.09179	2.7
97.02888	16.5
97.06546	12.1
97.10174	15.0
99.04464	2.8
99.08107	2.8
101.02423	2.5
103.05457	1.8
103.06871	1.3
105.04535	2.1
105.07045	44.8
107.04956	16.7
107.08595	42.2
109.02906	2.4
109.06525	9.7
109.10166	27.6
110.10453	1.6
111.04445	2.2
111.08089	6.8
113.09654	1.7
115.05473	3.9
117.07036	21.5
119.04935	1.9
119.08585	28.5
119.09369	2.3
120.08112	1.9
121.06503	10.1
121.10156	19.7
123.08104	5.9
123.11728	6.3
125.09621	10.5
127.03879	3.8
129.06999	8.3
131.04958	2.3
131.08597	20.2
133.06523	4.9
133.10138	39.3
135.08073	10.7
135.11700	13.2
137.09651	4.8
141.06985	2.4
142.07782	2.4
143.08562	7.9
145.06520	3.1
145.10110	18.1
147.08099	6.7
147.11708	10.3
149.09630	10.6
149.13281	8.4
151.11163	12.4
155.08572	3.0
157.10138	7.0
159.08084	3.2
159.11681	12.4
161.09660	5.7
161.13304	3.4
163.11159	7.7
165.09213	1.8
165.12804	2.4
169.10138	2.9
169.12363	2.3
171.11723	4.0
173.04439	2.1
173.13356	5.3
175.11258	4.6
177.12837	4.7
179.14398	2.2
183.11726	3.3
184.07404	2.0
185.13278	2.6
189.11317	4.4
193.12311	1.9
195.13885	5.9
197.13362	1.8
205.12343	1.7
212.61235	1.6
223.13303	16.1
227.12761	10.1
229.19482	2.5
239.18051	2.7
242.34813	1.4
245.19002	3.1
247.20709	2.1
249.15013	2.1
251.12782	2.1
253.14355	23.0
255.16016	6.6
257.19150	5.0
263.20178	3.3
267.15881	1.6
269.17480	24.0
273.18561	24.9
275.20096	20.3
285.52795	1.6
291.19565	100.0
292.19864	2.2
293.21234	2.2
309.20734	2.8
329.21268	1.6
331.23032	2.1
335.25983	2.2
347.22433	5.8
349.23782	11.9
365.23254	43.4
367.24789	3.0
391.02139	1.7
405.13528	2.6
406.14285	2.0
414.18170	2.3
465.28406	2.3
520.29785	2.4
527.32971	1.7
534.01898	1.6
541.35608	2.6
545.34857	18.7
559.36322	71.1
560.36615	4.3
575.23279	1.5
621.41724	2.5
639.42584	12.6
656.69562	1.8
657.43384	2.4
682.34991	2.6
815.40680	1.7
854.45844	66.6
855.46399	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	854.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	2.1
65.03931	4.0
67.05508	46.5
69.03437	12.9
69.07070	39.3
69.84892	3.6
70.07359	0.9
71.05016	5.1
73.02913	1.7
74.09733	1.0
76.54469	0.8
79.05019	0.9
79.05496	42.8
81.03420	8.9
81.07059	56.5
82.07396	0.8
83.04982	10.3
83.08617	15.5
83.13194	0.9
85.02895	2.5
85.06529	2.5
91.03931	1.3
91.05484	41.0
93.07047	37.8
95.01336	1.3
95.04969	12.2
95.08609	23.7
97.02902	10.8
97.06534	13.8
97.09629	1.2
97.10179	14.9
98.20838	1.4
99.04449	1.9
99.08089	1.1
103.05467	1.4
105.04548	2.2
105.06322	1.3
105.07035	29.6
107.04967	13.0
107.08600	32.7
109.02875	2.1
109.06533	6.1
109.09476	1.2
109.10168	15.1
111.04435	2.0
111.08079	3.6
113.05939	1.1
115.05433	2.1
117.07021	16.2
119.04970	1.6
119.08587	23.2
121.06506	5.8
121.10149	12.1
122.10601	0.9
123.04433	1.3
123.08065	5.7
123.11666	2.5
125.05993	1.2
125.09646	13.3
127.03912	2.0
128.06174	1.9
129.07022	5.7
130.07790	1.8
131.08572	16.0
133.06480	3.4
133.10138	17.7
134.07310	0.9
135.08095	5.5
135.11693	8.6
137.09639	3.4
139.11176	1.0
141.06952	1.1
142.07700	1.0
143.08563	6.1
145.06473	1.5
145.10124	16.7
147.08046	7.4
147.11710	8.4
149.09615	9.5
149.13306	4.7
151.11160	2.2
153.09093	1.0
153.12711	0.9
155.08562	2.0
157.10120	4.8
159.11713	9.4
161.09599	3.1
161.13246	2.8
162.10400	1.2
163.11203	6.2
165.09088	1.7
167.08514	1.2
169.10149	2.2
171.10239	1.6
171.11697	3.1
173.04485	1.2
173.09590	2.3
173.13280	4.9
175.11172	3.6
177.12764	3.4
179.14310	2.6
181.10059	0.9
183.11679	2.1
184.07298	1.1
185.13248	2.4
187.11292	1.6
189.09508	1.3
189.11208	6.4
189.12653	1.4
193.12311	1.5
195.13782	3.0
199.14911	1.0
203.10728	0.9
203.14314	0.9
205.12314	2.8
211.12976	1.0
212.75079	0.8
215.14384	1.1
217.15913	0.9
223.13293	16.2
227.12784	17.0
239.17947	2.4
245.19008	1.5
249.14847	2.9
253.14574	2.0
255.15787	2.7
257.19034	8.1
263.20273	1.1
267.16092	1.1
269.17502	12.9
273.18521	14.4
275.20056	21.0
289.17972	1.3
291.19550	100.0
292.19885	2.4
293.21088	2.4
309.20511	1.6
311.08615	1.0
331.22687	1.5
347.22195	2.2
349.23767	19.9
365.23245	36.2
366.23672	0.9
367.24860	1.2
461.28912	2.2
519.33203	1.5
535.32446	1.7
541.35193	2.1
543.36304	1.4
545.34753	8.1
559.36322	33.2
560.36462	1.3
599.39264	4.5
620.41956	1.0
621.41162	2.4
639.42572	25.2
640.42151	1.6
657.43530	2.5
703.40344	1.2
730.96869	1.2
848.93250	1.0
854.45636	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	853.456
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	7.1
65.03974	0.5
67.05511	8.9
69.03430	4.3
69.07095	1.0
71.01369	0.4
71.04999	0.7
73.02924	4.8
76.58244	0.3
79.05505	2.8
81.03424	2.2
81.07070	4.1
83.05006	0.5
83.08644	0.9
85.02906	6.0
85.06560	0.4
87.04463	0.5
91.03961	4.3
91.05509	2.1
93.07058	3.1
95.04954	0.4
95.08624	2.7
97.02896	6.6
99.04494	1.2
101.02386	1.9
101.17312	0.4
103.03967	0.8
105.07049	1.5
107.08630	1.5
109.02905	1.0
109.06606	0.4
109.10172	6.6
117.07068	0.8
117.47792	0.4
119.08631	1.0
121.10171	1.1
123.11755	0.4
123.70204	0.3
127.03938	2.0
128.97223	0.3
129.07120	0.4
131.08609	0.9
133.10167	0.7
135.11699	0.8
137.09613	0.4
145.05052	0.3
145.10178	0.6
155.10699	0.4
173.11801	1.4
184.07413	0.9
185.04295	1.4
195.09955	0.5
202.90723	0.3
203.05380	0.6
229.14435	1.1
243.08450	2.5
251.12740	0.7
291.19614	0.6
335.25858	0.7
347.09467	2.3
365.10553	0.8
405.13742	6.2
413.17838	9.2
519.29346	4.5
575.23169	9.3
681.34686	3.8
691.40582	1.9
847.14868	0.4
853.45599	100.0
854.45929	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	853.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	6.8
64.18899	0.5
67.05514	8.6
69.03439	4.6
69.07088	1.5
71.01369	0.6
71.05002	0.9
71.51720	0.6
72.42459	0.4
73.02929	5.6
74.01201	0.4
75.04490	0.6
79.05509	3.1
81.03429	2.7
81.07060	5.6
83.05000	0.9
83.08630	0.9
85.02910	7.7
87.04514	0.6
91.03970	5.4
91.05500	3.0
93.07046	3.1
95.04990	1.1
95.08624	4.1
95.70604	0.4
97.02898	7.7
99.04504	1.3
101.02403	2.4
103.03985	0.6
105.07040	0.9
107.04967	0.6
107.08594	2.2
109.02922	1.5
109.06532	0.6
109.10171	5.4
115.04102	0.5
117.07065	0.5
119.08643	1.7
121.10197	1.7
127.03947	3.1
131.08572	1.2
133.10187	1.5
133.49863	0.5
135.11754	0.7
145.05009	0.7
145.10229	0.9
151.93416	0.5
159.11720	0.6
163.11310	0.7
173.11807	1.1
183.06659	0.6
184.07460	1.3
185.04280	1.0
192.46461	0.5
203.05394	0.9
208.15475	0.5
229.14513	1.0
243.08496	2.5
258.55109	0.5
291.19699	1.0
311.25894	0.8
335.25885	0.6
347.09711	1.9
363.09125	0.6
365.10757	0.9
405.13712	5.6
413.17853	5.9
519.29327	5.3
575.23413	4.1
621.46515	0.6
638.27795	1.2
681.34454	7.0
691.40668	1.8
853.45630	100.0
854.46210	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	852.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	0.8
67.05507	22.5
69.03437	8.6
69.07071	24.9
70.81200	1.8
71.04976	1.8
79.05070	1.4
79.05499	23.8
81.03414	5.4
81.07056	17.9
83.04959	3.9
83.08619	8.3
85.02952	1.2
85.06502	1.4
86.09694	1.2
91.05484	14.9
93.07050	16.2
95.04987	6.0
95.08601	9.0
97.02888	8.4
97.06528	3.0
97.10183	9.9
103.05450	0.9
105.07034	12.7
107.04974	5.8
107.08587	11.7
109.02879	1.1
109.06529	2.0
109.10169	6.8
111.04446	1.0
111.08064	1.3
115.05454	1.5
115.77708	0.8
117.07030	5.4
119.04940	1.9
119.08584	10.5
121.06515	3.2
121.10132	4.7
123.04456	1.6
123.08051	3.1
123.11752	1.6
125.09637	6.6
128.06230	1.4
129.07018	3.7
130.07784	1.4
131.08572	9.0
133.06496	3.2
133.10141	5.7
134.07280	1.0
135.08052	4.3
135.11697	1.9
137.09653	1.2
141.05148	0.9
143.08600	3.2
145.06468	1.2
145.10132	5.1
147.08060	7.6
147.11684	2.7
149.09613	2.3
149.13269	2.1
151.11206	1.4
153.09108	1.1
157.10130	2.2
159.08084	0.9
159.11740	2.1
161.09666	2.8
162.10509	0.9
163.11240	1.2
169.10013	1.0
171.11732	1.1
175.11249	2.4
177.12776	1.1
177.15210	0.8
184.07349	3.5
185.13187	1.4
189.11191	3.0
193.12273	1.5
195.13640	0.9
205.12358	1.3
211.13271	0.9
219.17426	2.6
223.13290	16.8
227.12811	4.8
245.18925	1.8
249.14830	3.3
258.08655	1.2
273.18512	15.3
291.19556	100.0
292.19806	3.1
347.22165	3.7
365.23251	45.5
366.23856	1.0
383.95844	0.9
434.48969	0.8
557.34979	1.5
575.35394	1.6
587.35345	1.3
637.40839	2.7
655.42084	41.4
656.42273	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	852.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	0.8
67.05507	22.5
69.03437	8.6
69.07071	24.9
70.81200	1.8
71.04976	1.8
79.05070	1.4
79.05499	23.8
81.03414	5.4
81.07056	17.9
83.04959	3.9
83.08619	8.3
85.02952	1.2
85.06502	1.4
86.09694	1.2
91.05484	14.9
93.07050	16.2
95.04987	6.0
95.08601	9.0
97.02888	8.4
97.06528	3.0
97.10183	9.9
103.05450	0.9
105.07034	12.7
107.04974	5.8
107.08587	11.7
109.02879	1.1
109.06529	2.0
109.10169	6.8
111.04446	1.0
111.08064	1.3
115.05454	1.5
115.77708	0.8
117.07030	5.4
119.04940	1.9
119.08584	10.5
121.06515	3.2
121.10132	4.7
123.04456	1.6
123.08051	3.1
123.11752	1.6
125.09637	6.6
128.06230	1.4
129.07018	3.7
130.07784	1.4
131.08572	9.0
133.06496	3.2
133.10141	5.7
134.07280	1.0
135.08052	4.3
135.11697	1.9
137.09653	1.2
141.05148	0.9
143.08600	3.2
145.06468	1.2
145.10132	5.1
147.08060	7.6
147.11684	2.7
149.09613	2.3
149.13269	2.1
151.11206	1.4
153.09108	1.1
157.10130	2.2
159.08084	0.9
159.11740	2.1
161.09666	2.8
162.10509	0.9
163.11240	1.2
169.10013	1.0
171.11732	1.1
175.11249	2.4
177.12776	1.1
177.15210	0.8
184.07349	3.5
185.13187	1.4
189.11191	3.0
193.12273	1.5
195.13640	0.9
205.12358	1.3
211.13271	0.9
219.17426	2.6
223.13290	16.8
227.12811	4.8
245.18925	1.8
249.14830	3.3
258.08655	1.2
273.18512	15.3
291.19556	100.0
292.19806	3.1
347.22165	3.7
365.23251	45.5
366.23856	1.0
383.95844	0.9
434.48969	0.8
557.34979	1.5
575.35394	1.6
587.35345	1.3
637.40839	2.7
655.42084	41.4
656.42273	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	848.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	3.5
61.02930	12.7
64.77184	0.7
65.03952	3.6
65.94465	0.6
67.05510	98.8
68.05830	1.2
69.03426	2.6
69.07079	8.3
69.17205	7.4
71.04994	3.3
73.02917	3.1
79.05144	0.4
79.05500	17.4
81.03418	2.1
81.07062	38.5
83.08627	7.5
83.49138	0.7
85.02910	14.0
85.03367	0.5
85.06551	2.7
91.03959	8.8
91.05479	13.6
93.07052	24.2
95.04986	1.9
95.08614	26.1
96.49472	0.7
97.02909	6.9
97.10169	2.6
98.21524	1.7
99.04445	1.1
99.08110	1.1
105.07044	8.0
107.08611	13.8
109.06564	1.3
109.10165	81.4
110.10512	1.9
111.08095	4.1
117.07041	3.2
119.08589	11.8
121.10159	11.0
123.11706	3.4
125.09644	1.9
127.03928	3.4
131.08566	6.3
133.10176	4.7
135.11725	8.0
137.09650	4.2
137.13281	1.7
145.04984	4.7
145.10139	4.0
147.11717	3.5
147.87549	0.8
149.13277	5.0
155.10664	8.8
159.11681	3.4
161.13254	2.8
163.06020	5.7
163.11186	0.8
163.14824	3.2
173.11790	16.8
173.13257	3.5
175.14819	1.7
177.16368	1.2
187.14896	1.8
189.16344	1.0
204.78419	0.7
227.12794	8.2
229.14371	100.0
230.14632	2.2
233.22690	0.8
243.21152	4.8
261.22150	18.5
262.22217	0.8
281.69296	1.0
317.24628	2.1
333.23877	0.8
335.25824	68.1
336.26056	1.9
373.18936	1.0
379.30032	1.2
397.30908	1.6
415.31836	2.1
471.34433	2.0
489.35806	45.2
490.36026	1.6
507.29202	0.7
507.36774	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	848.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05011	4.0
60.31423	0.7
61.02929	11.0
65.03946	2.1
66.53931	0.7
67.05508	100.0
68.05838	1.3
69.03436	2.6
69.07074	8.1
69.37572	3.3
69.37997	1.8
71.04994	3.8
73.02922	3.0
79.05499	21.2
81.03445	1.0
81.07062	39.2
83.04993	1.4
83.08626	8.7
85.02910	16.0
85.06564	2.4
91.03955	6.9
91.05486	15.5
93.07049	27.4
95.04966	1.4
95.08613	28.9
97.02912	6.8
97.06526	1.5
97.10187	2.5
99.04464	1.3
105.04574	0.7
105.07034	8.0
107.08591	16.4
109.06526	0.7
109.10163	80.3
110.10506	0.9
111.08081	3.7
117.07041	3.8
119.08598	11.5
121.10149	12.1
123.08092	0.9
123.11718	3.8
125.00074	0.8
125.09614	2.1
127.03920	2.3
131.08580	5.6
132.09035	0.7
133.10129	5.5
135.11700	6.9
137.09656	2.7
141.35913	0.7
145.05017	2.2
145.10120	5.4
147.11673	4.3
149.13268	4.9
155.10674	10.7
157.43784	0.8
159.11717	4.1
161.13263	3.4
161.90372	0.7
163.06055	4.4
163.14890	3.0
169.10129	0.8
173.11787	12.8
173.13307	3.6
175.14899	0.9
187.14935	2.7
187.94017	0.7
201.16478	0.7
227.12825	4.4
229.14363	77.6
230.14781	1.3
233.22766	1.2
243.21083	5.5
261.22159	18.7
261.24799	1.0
292.48322	0.7
317.24872	2.7
335.25809	59.3
336.26358	2.5
373.85950	0.7
379.30170	1.0
397.31323	1.3
471.34824	1.6
489.35782	57.0
490.36346	3.4
507.36768	5.3
840.15588	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5177
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44072	0.3
61.02931	5.2
67.05509	6.3
69.03438	2.9
69.07066	2.1
69.17364	0.8
69.17774	2.6
71.05005	0.6
73.02921	3.9
79.05502	4.4
81.03429	1.8
81.07062	5.7
83.04988	1.0
83.08629	0.7
85.02915	5.0
86.09707	0.6
91.03960	2.9
91.05479	2.5
93.07050	4.2
95.04961	0.8
95.08611	4.2
97.02900	5.1
97.06560	0.3
97.10184	0.5
99.04468	1.0
101.02396	1.3
105.06380	0.3
105.07025	1.6
107.08589	2.7
109.02894	0.8
109.10159	2.3
111.08082	0.4
116.18556	0.3
117.07032	0.9
119.08614	1.3
121.10175	1.3
125.00090	0.4
125.09660	0.4
125.22215	0.4
127.03961	1.0
129.05522	0.4
131.08586	0.8
133.10144	0.8
135.11746	1.0
145.04897	0.4
145.10159	0.7
147.11761	0.6
159.11732	0.4
184.07422	1.1
185.04195	0.3
229.65999	0.4
243.08333	2.3
274.21805	0.4
274.29559	0.3
335.26251	0.4
351.21375	2.4
413.18069	0.5
519.29333	6.1
569.29309	6.0
570.30212	0.4
583.55078	0.3
591.31140	0.5
668.49225	0.7
708.69684	0.4
768.35120	0.4
847.51752	100.0
848.52350	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	845.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	3.9
63.02446	0.3
67.05505	5.5
69.03433	2.9
69.07075	2.4
71.52461	0.4
73.02910	3.3
79.05499	4.3
79.05926	0.5
81.03432	1.3
81.07059	5.5
83.01186	0.3
83.04987	0.7
83.08647	0.7
85.02908	3.9
86.09726	1.3
91.03957	2.9
91.05489	5.0
92.09624	0.4
93.07048	5.2
95.05000	0.6
95.08617	3.0
97.02897	3.5
97.06520	0.4
97.10188	0.5
99.04477	0.5
101.02386	1.3
105.07030	3.2
107.08589	2.2
109.02925	0.6
109.10175	1.1
115.03970	0.3
117.07040	1.3
119.08591	2.2
121.06491	0.4
121.10160	1.4
125.00023	1.1
125.09576	0.4
127.03963	1.2
129.07106	0.5
131.05617	0.4
131.08598	1.3
133.10162	1.7
135.11734	1.5
139.91577	0.4
143.08565	0.6
145.10147	1.0
147.11713	1.1
149.13268	0.5
159.11708	0.5
171.11714	0.4
184.07358	3.9
185.04237	1.1
185.07861	0.5
229.08701	0.5
243.08365	3.6
243.10323	0.3
259.20633	0.4
261.87512	0.3
301.09055	1.7
315.10638	0.7
315.42255	0.4
322.04218	0.4
333.20410	2.6
373.11520	0.5
389.23087	0.5
431.23932	0.6
439.19766	0.7
453.21127	0.5
465.21115	0.4
520.91559	0.4
530.30927	0.4
535.28851	5.6
541.22400	0.4
551.28278	6.0
623.30298	1.2
670.07562	0.4
673.41730	0.6
845.50220	100.0
846.50476	8.7
846.65765	0.8
866.36304	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.4
63.23382	0.4
65.03925	0.4
67.05507	4.4
69.03432	3.1
69.07075	2.0
71.01354	0.4
71.04996	1.1
71.50949	0.6
73.02917	2.9
79.05499	4.4
81.03417	1.8
81.07059	5.2
83.04993	0.8
83.08630	0.8
85.02910	4.1
86.09718	1.1
87.04476	0.4
87.30134	0.3
91.03965	2.4
91.05487	4.4
93.07050	6.1
95.04990	0.9
95.08627	3.3
97.02904	3.7
97.06534	0.6
97.10154	0.6
97.11406	0.3
99.04457	0.8
101.02410	1.3
105.07036	4.0
107.08604	2.5
109.02891	0.5
109.10179	1.1
117.07021	1.6
119.08598	2.4
121.10173	1.8
125.00029	0.8
127.03942	1.1
129.07063	0.8
131.08586	1.1
133.10129	1.8
135.11740	1.4
136.06204	0.5
141.67967	0.3
143.08630	0.5
145.10123	0.7
147.11699	1.0
149.09583	0.4
157.10242	0.4
159.11720	0.9
161.13258	0.6
162.07872	0.7
167.30180	0.3
171.11781	0.5
173.13359	0.5
184.07355	2.9
185.04282	1.1
185.07689	0.4
203.05304	0.4
229.08640	0.6
230.32550	0.5
243.08400	3.4
259.20761	0.5
297.46609	0.4
301.09042	1.4
303.19321	0.4
313.09192	0.5
315.10596	0.7
333.20377	2.2
335.26065	0.4
355.13879	0.4
373.24121	0.6
383.16653	0.3
439.19223	0.6
453.21072	0.7
465.21039	0.8
530.68195	0.3
535.28827	6.2
551.28357	5.9
570.74231	0.4
589.94006	0.4
623.30670	1.2
683.44623	0.6
845.50238	100.0
846.50439	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	845.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	4.9
62.27207	0.3
65.03930	0.5
67.05509	4.7
69.03433	3.4
69.07072	1.3
71.01366	0.4
71.04984	0.5
71.51837	0.3
73.02927	4.1
79.05495	3.6
81.03411	1.7
81.07063	5.6
83.04998	0.5
83.08616	0.5
85.02915	5.0
85.06556	0.4
86.09734	0.8
89.72345	0.3
91.03970	3.0
91.05491	2.1
91.87409	0.3
93.07054	4.4
93.67805	0.3
95.04964	0.6
95.08614	3.0
97.02905	3.8
97.06564	0.5
97.10185	0.6
99.04497	0.8
101.02394	1.3
105.07061	1.3
107.04990	0.6
107.08610	2.2
109.02902	0.7
109.06564	0.8
109.10166	1.3
117.07053	0.8
119.08578	1.1
121.10175	1.5
123.08105	0.4
124.39753	0.3
125.00027	0.6
125.09680	0.4
127.03925	1.5
131.08578	0.8
133.10153	1.3
135.11702	0.8
139.41542	0.4
143.08629	0.3
145.05019	0.4
145.10153	0.6
149.13342	0.5
169.56210	0.3
173.13190	0.4
184.07352	2.4
185.04294	0.5
187.11333	0.5
243.08461	1.9
306.74008	0.3
349.19977	4.1
443.19183	0.7
465.25998	0.3
479.22552	1.0
519.29242	5.2
567.27881	3.5
704.75153	0.4
711.44000	0.4
721.41376	1.1
751.49518	0.4
757.45239	2.0
845.50220	100.0
846.50543	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	843.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04956	0.4
93.59146	0.3
98.21639	0.5
131.74020	0.2
175.67413	0.2
303.12262	0.5
333.13080	2.9
370.22290	0.3
415.17697	0.3
432.16864	0.3
433.18356	100.0
434.18619	3.1
435.19318	0.4
451.19385	0.8
453.90268	0.3
474.20981	1.0
586.75854	0.2
766.99164	0.3
839.09418	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04979	0.5
61.02928	3.6
61.28444	0.4
63.56619	0.6
65.03938	0.8
65.20108	0.5
67.05511	4.7
68.05904	0.5
69.03428	3.2
69.07064	2.1
71.01353	0.5
71.04987	0.5
71.12826	1.2
73.02921	3.3
79.05504	5.4
81.03417	1.6
81.07063	6.6
82.07395	0.6
83.05003	0.9
83.08611	0.7
85.02913	2.8
85.06566	0.6
86.09711	1.8
91.03957	1.8
91.04964	0.8
91.05491	6.8
92.44707	0.5
93.07047	5.3
95.04990	0.9
95.08618	4.3
97.02906	4.3
97.06536	1.4
99.04485	0.8
101.02367	1.2
105.07019	3.8
107.04990	0.7
107.08590	2.0
108.56924	0.5
109.02902	0.7
109.06523	0.8
109.10164	1.4
117.07043	2.3
119.08543	2.3
121.10164	1.6
125.00064	1.4
127.03912	0.9
129.07037	1.1
131.08597	2.5
133.10123	2.6
135.11746	1.0
137.09631	0.5
137.45898	0.6
138.48935	0.5
145.10152	1.4
147.11761	1.0
157.10226	0.8
158.73369	0.5
159.11652	0.9
184.07353	5.6
184.24164	0.5
201.16452	0.5
203.05356	0.8
219.17444	2.7
243.08435	2.6
315.19370	2.3
324.32245	0.5
333.20505	2.2
371.22043	0.8
389.23331	0.6
449.62003	0.5
460.61221	0.6
493.23767	0.8
508.59363	0.5
515.69995	0.5
515.77795	0.6
533.27295	6.8
534.27618	0.6
535.28717	0.7
551.28186	6.1
666.24786	0.6
728.79651	0.6
843.48645	100.0
844.48804	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	842.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05013	1.8
63.83973	1.4
65.03932	3.8
67.05509	100.0
69.03436	2.7
69.07076	22.7
69.28419	13.7
71.04988	5.1
75.19427	1.8
76.07185	1.6
79.05499	56.5
80.06273	1.5
81.03425	3.1
81.07059	86.8
83.04984	3.9
83.08620	16.8
85.02907	2.1
85.06522	3.9
86.09711	3.9
88.31574	1.6
91.05486	44.2
93.07045	58.9
95.04976	6.6
95.08611	47.5
97.06528	6.2
97.10171	8.8
98.21523	2.9
103.05476	1.5
105.04498	2.2
105.07031	27.5
107.04966	3.7
107.08609	37.8
109.06525	5.7
109.10162	48.1
111.08076	3.1
117.07020	13.3
119.08582	26.9
121.06499	2.8
121.10163	22.8
123.08078	3.2
123.11721	8.0
125.00045	2.7
125.09645	5.2
129.06973	3.0
131.08569	18.9
133.10135	20.4
135.08063	4.4
135.11687	13.3
137.09621	4.3
143.08572	2.2
145.10127	15.0
147.11687	12.9
149.09647	5.2
149.13226	8.4
155.10681	2.4
157.10100	3.6
159.11702	12.7
161.13260	5.9
163.11176	3.2
163.14842	1.9
164.97101	1.4
165.12724	2.0
171.11658	2.8
173.11757	7.9
173.13303	6.8
175.14780	2.4
177.12730	2.6
184.07376	12.2
185.13242	2.8
187.14838	3.2
189.11206	2.5
197.13300	1.6
205.16026	1.9
227.12779	7.1
229.14374	36.6
239.17892	2.1
241.94492	1.6
243.21060	4.3
257.19150	3.5
261.22162	13.2
269.17450	14.6
275.20096	23.3
293.21143	4.5
309.20609	4.9
317.24823	3.4
335.25824	91.6
336.26175	3.6
349.23730	18.0
367.24670	14.0
489.35724	23.4
507.37006	3.1
527.90552	2.1
529.38892	29.9
530.39355	2.5
569.42194	25.6
609.45087	30.4
610.45081	2.2
627.46167	16.0
675.40936	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	2.1
61.02929	3.5
61.98797	1.8
63.93805	1.6
65.03935	6.0
67.05508	97.8
67.98914	1.8
68.05850	1.8
69.03429	12.3
69.06728	2.5
69.07075	33.0
70.08308	9.7
70.14774	1.7
71.05008	12.1
79.05498	92.1
81.03420	22.9
81.07064	100.0
83.04974	11.7
83.08638	15.2
85.02911	9.9
85.06540	4.7
91.03923	2.6
91.05486	57.4
93.07050	75.0
95.04987	21.2
95.08615	63.6
97.02895	5.5
97.06532	36.6
97.09633	1.9
97.10183	14.0
99.08070	5.2
103.05544	2.0
105.04517	3.6
105.07033	38.9
107.04983	13.2
107.08596	41.5
109.06518	34.5
109.10158	22.5
111.04445	2.0
111.08054	6.2
113.06007	3.8
115.05431	3.7
115.07550	4.5
117.07017	20.5
119.04954	1.9
119.08603	29.1
121.06496	7.0
121.10142	27.4
123.08074	17.6
123.11696	5.9
125.06015	2.7
125.09663	10.2
127.03952	4.5
127.07601	3.6
129.05534	2.9
129.06987	10.1
131.08585	24.2
133.06490	7.2
133.10146	22.1
135.08086	9.8
135.11693	15.2
137.09636	5.3
139.07562	2.1
139.11215	2.4
141.06918	1.8
143.08551	7.6
145.06519	2.1
145.10135	18.1
147.08072	7.5
147.11708	12.6
149.09612	7.5
149.13257	8.5
151.11195	3.8
153.09174	2.8
155.08585	4.6
157.10146	9.3
159.08073	4.2
159.11705	15.5
161.09624	6.7
161.13243	5.7
163.11172	5.0
163.14825	2.5
165.12788	2.4
167.88200	1.9
169.10028	3.3
171.10278	2.1
171.11664	7.1
173.13268	8.2
175.11139	4.6
175.14833	2.8
177.12770	7.5
181.10080	2.1
183.11613	4.5
184.07323	2.6
185.13248	3.2
187.11124	2.7
187.14841	3.6
189.11217	9.6
193.12273	2.4
195.11653	2.6
217.15866	5.5
221.15375	4.5
223.13315	5.0
227.12746	15.4
227.17836	2.7
233.15175	2.2
243.21146	3.6
245.19025	5.9
255.17480	3.9
259.20587	4.0
261.22128	7.9
267.15942	4.1
269.17487	7.8
273.18497	28.5
275.20108	4.4
291.19543	25.1
297.17047	3.3
307.18982	3.5
309.20587	3.2
335.25827	69.5
336.26230	2.4
347.22156	12.2
365.23346	13.3
383.24298	4.8
432.41110	2.1
505.35095	2.5
515.37872	2.2
527.36609	2.5
529.38672	7.3
557.39001	2.4
607.43433	5.8
625.44324	24.6
643.45532	6.4
797.81866	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08320	1.4
60.22794	1.6
61.02922	3.9
65.03938	6.7
65.54565	1.6
67.05509	94.1
69.03433	21.2
69.07072	53.4
69.14181	3.7
69.14577	16.2
71.01370	1.9
71.05004	16.4
73.02907	5.7
73.29398	1.6
78.04714	2.2
79.05497	90.3
81.03419	22.1
81.07060	92.3
83.04974	17.9
83.08622	14.4
85.02914	10.7
85.06529	4.6
91.03958	2.0
91.05486	64.5
93.07052	85.3
95.04978	18.3
95.08611	57.9
97.02899	14.0
97.06537	87.6
97.10163	6.2
99.04458	4.0
99.08096	5.7
101.87147	1.9
103.05473	2.6
105.04507	5.2
105.07034	42.3
107.04975	9.6
107.08614	34.3
109.02881	5.5
109.06512	21.1
109.10163	25.1
111.08078	5.6
112.48569	1.5
115.05483	3.9
115.07576	25.5
117.07043	21.2
119.08589	29.9
120.10469	1.5
121.06499	5.7
121.10150	27.5
123.04464	1.9
123.08057	5.6
123.11697	5.6
125.09618	4.4
127.03886	8.2
127.07542	2.9
128.06209	3.3
129.05533	3.2
129.06992	12.4
131.04895	2.1
131.08571	27.0
133.06447	3.5
133.10123	24.7
135.08043	13.6
135.11696	20.2
137.06032	2.1
137.09589	3.8
142.07791	2.6
143.08568	8.4
145.06483	3.7
145.10144	21.7
147.08058	5.6
147.11710	11.6
149.09615	7.9
149.13283	11.8
151.11183	3.3
155.08548	4.6
157.10159	8.7
159.08051	3.2
159.11693	13.0
161.09613	5.9
161.13257	7.8
163.14743	2.6
169.10138	3.2
171.11696	6.7
173.04422	9.9
173.09630	3.1
173.13255	6.4
175.11205	4.5
175.14786	3.9
177.12708	4.6
183.11691	2.9
185.13258	3.9
187.11188	2.9
187.14793	4.1
193.12289	1.9
195.11882	2.2
195.13792	4.7
199.11157	1.8
199.14867	3.9
201.12708	1.9
217.15924	6.4
219.13690	1.9
227.12804	2.2
227.17905	2.3
233.15350	5.4
243.21127	3.5
245.19000	5.2
253.14349	2.9
255.17595	1.9
259.20685	3.2
261.22192	10.2
263.19995	2.4
267.15970	4.7
269.17517	14.6
273.18494	30.1
275.20010	2.2
291.19528	14.0
297.16788	2.4
307.18964	2.1
333.24289	3.4
335.25818	100.0
336.26065	3.8
347.22119	12.8
365.23260	14.0
383.24060	3.5
489.33722	1.8
515.37476	3.5
529.38898	31.2
531.36859	3.6
555.40417	2.5
557.38013	2.5
567.39880	2.3
607.43127	5.2
625.44702	16.8
643.45306	4.4
841.44519	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	840.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	4.4
65.03967	3.0
67.05505	98.6
69.03426	6.3
69.07065	36.2
69.56266	10.7
69.56674	8.1
71.04985	5.3
79.05495	89.7
81.03411	10.9
81.07059	97.4
83.04974	14.3
83.08620	22.2
85.02905	7.5
85.06544	5.6
86.09707	3.8
91.05484	100.0
93.07046	88.1
95.04960	13.5
95.08611	60.8
97.02900	6.7
97.06524	7.5
97.10175	10.7
99.04445	3.8
99.08086	4.7
103.05441	3.5
103.07767	2.6
105.07034	87.3
107.04964	9.6
107.08602	54.4
109.06538	7.2
109.10172	29.5
111.08076	5.4
111.50340	2.9
115.05447	5.0
117.07018	38.3
118.56910	2.7
119.08590	57.2
121.06496	5.8
121.10143	33.2
123.08081	5.8
123.11726	7.1
125.09619	6.7
128.06210	6.8
129.07016	19.7
130.07759	5.6
131.08574	46.3
133.06514	4.1
133.10133	52.1
135.08066	7.9
135.11691	28.0
141.06967	8.2
142.07780	4.1
143.08557	25.6
145.10143	43.3
147.08058	6.6
147.11688	34.9
149.09624	10.4
149.13298	14.4
155.08577	12.4
157.10170	22.4
159.11699	29.4
161.13301	19.4
163.11235	5.1
167.08575	6.9
168.09291	3.6
169.10158	9.9
171.11679	24.4
173.13271	17.2
175.11176	5.9
175.14818	3.4
177.12695	4.4
179.08575	3.4
181.10085	7.0
183.11687	17.1
183.13158	3.0
184.07381	12.2
185.13179	13.5
187.11240	3.2
187.14825	8.9
195.11655	8.0
195.13661	3.5
197.13237	8.9
199.14883	8.8
207.11694	6.3
207.13541	2.8
209.13307	3.3
211.14702	5.5
214.29858	2.6
225.16353	2.9
229.14388	3.0
231.20906	3.3
237.16501	4.4
239.18036	3.2
241.19630	13.7
255.15909	6.6
257.19006	6.1
259.20557	36.0
261.22116	3.1
269.17490	16.4
275.20044	16.2
291.19592	5.8
297.22052	3.7
315.23267	4.4
333.24255	42.1
335.25723	11.5
349.23636	9.6
383.24454	4.3
421.31192	4.1
435.32559	7.5
509.35794	3.9
513.35834	18.8
515.37769	6.5
527.37250	29.9
533.40302	4.3
543.36603	3.1
545.38165	5.0
567.40283	6.0
597.45117	3.4
607.43805	27.4
625.44824	25.3
641.31482	3.1
643.45654	7.4
682.01477	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	839.406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	0.6
67.05497	1.7
68.59322	0.6
69.03439	3.8
69.07079	0.6
69.81153	3.5
81.03429	1.0
81.07065	1.5
83.01345	1.1
83.04993	0.9
85.02913	3.8
85.06507	0.9
91.05460	1.0
93.07032	0.7
94.67471	0.6
95.08601	2.1
97.02892	2.5
98.21487	1.1
105.07002	1.8
107.08572	2.1
109.02853	1.0
109.06425	0.7
114.76419	0.6
119.08544	0.9
121.06519	8.0
121.10197	0.6
123.04460	0.9
123.08093	1.3
125.09640	1.7
127.03920	1.7
129.07028	0.7
129.65630	0.7
135.08037	2.0
137.05994	8.4
137.72351	0.6
143.10655	1.4
145.04999	1.2
145.10112	2.6
147.08070	1.7
149.05988	2.6
149.09615	0.8
151.07550	14.3
158.07306	0.9
161.05974	2.0
161.09608	2.6
162.06783	1.1
163.07544	7.5
163.11159	4.3
171.08159	0.6
173.09641	2.4
174.06776	1.0
175.07562	11.8
176.08339	3.3
177.09114	5.7
188.08385	0.6
189.09106	8.9
191.10683	100.0
192.11050	2.5
202.09908	0.7
209.11711	0.9
213.12721	1.0
215.10732	1.3
215.14236	0.7
216.11487	0.8
219.13773	1.2
229.12225	1.0
231.13814	33.4
233.11777	0.7
233.15323	0.8
247.13417	0.7
249.14876	16.3
267.15988	1.0
289.18057	2.1
353.15979	1.1
393.19159	1.4
402.83127	0.6
429.12164	0.9
839.38428	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05015	2.0
61.02934	3.7
65.03941	7.5
67.05512	87.3
69.03429	7.2
69.07076	26.9
70.76527	2.3
70.76865	4.1
71.05004	7.8
77.03944	2.6
79.05500	78.5
81.03425	23.0
81.07066	75.8
83.04993	12.3
83.08627	18.6
84.62785	1.9
85.02889	3.8
85.06541	4.3
91.05491	62.1
93.07056	64.3
94.86359	1.9
95.01334	4.2
95.04978	21.0
95.08615	51.4
97.02890	3.6
97.06532	26.2
97.10173	18.4
99.04451	2.3
99.08122	3.0
103.05453	3.5
105.04520	4.3
105.06396	3.8
105.07038	37.0
107.04971	23.7
107.08602	37.4
109.02900	4.4
109.06522	21.3
109.10157	20.9
111.04453	5.1
111.08109	6.8
113.06037	6.0
115.05447	4.7
115.07574	5.1
117.07043	20.6
119.07792	3.5
119.08591	33.1
121.02871	19.1
121.06519	27.4
121.10150	28.7
123.04455	3.6
123.08065	12.0
123.11716	4.7
125.06020	11.6
125.09618	11.1
128.06226	5.8
129.07016	10.6
131.08592	24.9
133.06493	8.0
133.10168	17.6
135.08051	18.6
135.11710	14.2
137.09645	8.3
137.61955	2.1
141.07027	4.6
142.07730	2.3
143.08572	5.3
145.06552	4.5
145.10107	16.0
147.08040	10.5
147.11700	12.3
149.05984	3.7
149.09615	10.4
149.13239	4.3
151.07544	5.6
153.09120	3.2
155.08569	4.2
157.10124	9.6
159.08078	39.5
159.11676	10.3
161.09648	7.7
161.13278	5.7
163.07552	12.9
163.11224	7.0
163.14877	3.0
165.12706	3.2
169.10158	5.7
171.10315	2.6
171.11765	6.4
173.09671	6.2
173.13284	8.6
175.11238	7.6
177.09140	4.6
177.12756	2.7
184.07317	9.0
185.09695	3.4
187.11217	2.9
187.14844	4.5
189.11215	8.5
189.12730	3.6
191.10745	2.9
191.14366	2.6
193.12257	7.9
197.09647	2.2
197.13283	4.4
199.11215	3.1
201.12804	2.7
201.16461	2.0
205.12131	2.3
205.15892	2.8
211.13185	3.4
215.14362	3.5
219.13928	9.7
221.11850	2.8
223.13240	3.2
227.12740	9.9
233.15381	29.7
237.14842	5.2
239.12880	2.1
241.14375	4.8
243.17480	4.7
243.21239	2.0
247.13425	5.1
251.16479	5.1
253.15849	6.6
259.20547	3.5
261.18597	5.4
261.22260	10.0
267.15936	9.2
271.17014	20.4
289.17984	64.7
291.19278	2.0
293.17502	3.4
295.19327	2.6
307.19067	23.5
313.16516	4.6
335.25839	100.0
336.26184	3.0
345.20773	4.2
363.21735	24.4
381.22839	20.2
381.27371	3.4
527.37396	2.9
545.38409	4.4
581.38452	3.1
623.43018	22.3
624.40900	2.0
641.44226	28.7
642.44946	3.4
659.44867	5.2
726.03149	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	834.376
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	7.1
67.05492	4.7
67.05805	1.2
68.16930	1.0
68.99799	5.4
69.03435	38.6
70.95065	3.2
71.01350	2.0
71.04987	5.5
73.02929	9.5
79.05502	3.8
81.03424	48.3
81.07066	10.1
83.04978	1.7
85.02914	98.0
87.00309	2.7
87.00837	47.0
91.03959	2.0
91.05489	4.4
93.07040	5.3
95.04993	1.7
95.08610	7.1
97.02904	49.7
97.10192	2.9
99.04465	19.8
101.02396	2.4
105.01196	2.4
105.01878	44.0
105.07020	3.9
107.08584	4.3
108.04479	2.1
109.02892	59.3
109.10163	7.1
111.04456	3.5
115.03966	2.3
117.01847	4.7
117.07011	1.6
119.08575	3.1
121.10158	7.7
123.11714	5.2
127.03929	100.0
129.01833	5.0
133.10136	4.9
135.11697	5.7
145.04971	28.0
145.10146	1.7
147.02943	4.7
147.04346	1.3
147.11679	6.3
149.13321	6.5
159.02896	18.6
161.13266	9.2
165.12773	1.5
169.05020	3.4
173.13258	1.8
175.14806	8.9
177.75473	1.2
187.05992	2.2
187.14795	3.0
189.03941	6.7
189.05400	1.2
193.04996	1.9
201.16382	3.0
211.06123	1.8
213.03954	22.0
215.17950	1.7
231.05023	37.7
235.05965	1.7
248.07793	1.6
249.06061	11.3
253.06970	1.5
255.21065	1.6
257.22672	40.7
258.22849	2.0
273.06073	19.8
275.23730	25.2
285.22098	2.6
303.23099	7.3
315.07016	1.8
321.06042	1.6
321.24380	1.9
339.07092	5.3
357.08084	4.6
383.25598	3.0
443.08359	3.8
461.09341	7.3
479.10132	2.8
487.27026	7.0
505.28204	8.1
551.28546	8.3
574.12317	1.4
791.22986	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
61.59850	2.3
62.41087	2.2
64.96091	1.9
65.01189	2.2
67.05508	2.9
69.03419	7.4
71.14730	2.5
71.15048	2.7
79.05469	2.6
81.03410	2.5
81.07070	2.3
83.04987	100.0
84.05341	3.6
85.06551	4.7
91.05492	7.9
93.07076	3.0
95.04978	5.8
97.02863	2.3
105.07021	7.3
117.07034	4.8
119.08530	3.9
121.06518	6.4
128.06198	6.4
129.07025	6.1
131.08627	2.7
133.06485	6.3
133.07468	2.1
135.04399	2.3
141.07022	4.7
142.07774	4.2
143.08549	6.0
145.06427	2.7
146.07086	2.3
147.08063	3.4
153.07079	2.9
154.07745	4.9
155.08536	5.4
157.06535	2.7
157.10172	4.6
159.08032	5.3
167.08502	3.4
169.10132	10.5
171.08040	5.7
173.09563	4.4
177.02216	2.3
185.09630	7.1
187.11176	4.2
193.09073	2.4
197.09645	8.1
199.11092	2.8
201.09123	3.6
211.02840	2.4
213.09077	8.1
215.10690	9.1
221.04762	2.7
225.09183	2.5
233.11935	2.4
241.08615	3.4
243.10228	7.3
245.04823	4.8
259.09665	3.8
261.11221	60.1
262.11673	3.3
263.05933	4.5
265.00479	2.0
275.12738	4.8
282.45172	2.0
287.05991	3.2
293.13742	12.2
305.07101	3.3
311.14874	6.7
315.05304	3.8
337.09546	12.8
341.13992	5.6
343.15326	6.1
347.08109	3.6
361.16440	63.5
362.16782	3.1
365.09143	5.7
367.10739	14.4
383.09848	2.5
411.20184	9.8
415.85684	2.5
449.14807	12.1
467.15976	4.3
477.98047	2.5
599.06616	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	838.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	1.9
63.51142	1.8
65.03943	4.0
67.05506	75.8
68.05859	2.0
69.03429	10.9
69.07072	41.3
71.05003	4.9
71.52364	2.2
73.02905	2.1
74.08661	1.8
74.96351	1.8
79.05496	84.5
81.03419	11.7
81.07058	66.3
83.04998	10.7
83.08624	21.2
85.02928	3.4
85.06545	5.7
87.04462	8.1
88.50986	1.7
91.05485	75.3
93.07049	62.5
93.07640	3.0
95.04980	16.9
95.08614	41.8
95.23615	1.7
97.02890	12.4
97.06536	8.6
97.10175	25.6
98.98505	3.0
103.05444	3.2
105.04512	3.2
105.07034	74.4
106.07332	2.2
107.04974	11.5
107.08592	48.8
109.06521	6.7
109.10155	25.1
110.45596	1.9
111.08095	5.7
115.05468	5.1
117.07027	27.9
119.08585	59.6
121.06504	5.9
121.10152	23.1
123.08109	9.3
123.11756	3.4
125.09628	17.2
128.06201	5.1
129.07008	19.0
130.07770	3.3
131.08559	32.0
133.06525	4.9
133.10130	38.9
135.08078	6.4
135.11697	15.7
136.06183	10.9
137.09663	5.6
141.06946	4.2
142.07782	3.5
143.08566	19.0
145.06548	2.6
145.10127	22.9
147.08035	11.2
147.11693	33.2
149.09622	6.9
149.13286	7.1
151.11179	2.0
153.09187	3.6
155.08601	5.2
157.10155	12.6
159.11694	21.3
161.09674	4.5
161.13257	19.9
163.11197	4.0
163.14836	3.2
167.08574	3.4
168.09406	2.2
169.10149	6.8
171.10359	3.4
171.11655	14.1
173.13225	15.7
175.11218	4.4
175.14807	8.7
177.12798	4.9
179.08594	3.9
179.14357	3.0
181.10098	3.2
183.11723	8.3
184.07373	6.4
185.13228	10.1
187.14830	3.9
189.11186	10.2
195.11736	4.4
197.13263	5.2
199.14803	4.5
201.16336	2.7
209.13214	2.7
211.14882	3.1
213.16435	4.8
217.15997	2.1
223.13277	20.2
227.12709	10.8
227.17900	1.9
231.21141	2.3
241.19554	18.4
243.17732	1.9
249.14854	2.8
251.18208	2.1
257.18930	2.7
259.20587	41.4
271.17010	1.8
273.18539	11.4
275.20169	4.8
289.17892	8.6
291.19547	100.0
299.23700	2.5
314.27673	1.9
315.23218	6.9
333.24261	48.4
335.25882	21.3
347.22446	1.9
349.23868	2.0
355.15488	2.3
363.21756	2.1
365.23276	33.6
379.29971	2.9
381.22763	8.5
511.33417	2.5
513.36658	3.2
525.35754	10.8
526.36365	2.4
531.38342	2.3
543.36591	11.0
605.41742	7.4
623.33600	3.8
623.43073	45.8
624.43903	2.4
641.44067	23.5
666.40302	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	832.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	48.9
59.06125	1.8
60.04525	1.1
61.02926	2.1
65.03952	1.4
67.05508	17.2
69.03419	1.2
69.07064	3.7
70.06567	1.8
73.02891	1.0
79.05496	14.1
80.05016	2.0
81.03423	0.9
81.07057	11.7
82.06583	3.5
83.04987	0.8
83.08630	1.5
84.04494	2.1
84.08158	4.6
85.02918	3.0
86.09726	1.1
91.03954	1.3
91.05490	13.1
93.07048	12.3
94.06574	8.4
95.04996	1.7
95.07336	1.2
95.08616	9.5
96.08131	1.6
97.02893	2.2
97.06511	1.0
101.05862	0.8
105.07041	8.4
106.06586	0.8
107.08599	8.2
108.08107	1.7
109.06517	0.8
109.10188	3.5
111.82325	0.7
112.07613	1.8
114.09165	1.2
117.07035	2.7
119.08576	5.3
120.08103	1.7
121.10174	3.3
123.11648	1.0
124.11249	2.7
131.08583	3.8
133.10147	3.3
134.09740	1.1
135.11719	2.5
136.11244	1.3
143.08623	1.3
145.10103	3.7
146.09676	0.8
147.11682	1.6
149.13231	1.1
152.10713	1.7
157.10260	0.9
159.11731	2.2
160.11174	1.2
164.14394	3.0
171.11810	0.9
180.13780	0.9
184.07413	1.7
220.16956	0.8
240.94814	0.7
248.16670	0.9
248.96967	0.8
258.08908	1.2
283.20541	1.0
300.23389	2.0
301.21814	1.3
318.24258	3.5
335.25809	10.5
336.25430	1.0
392.28098	4.6
410.28925	1.5
449.55777	0.7
488.24408	0.8
532.40204	2.4
572.43500	1.4
612.46643	1.3
635.46661	1.6
645.12000	0.8
652.49475	8.3
670.50415	100.0
671.50610	7.6
754.90656	0.9
814.54486	2.1
832.55817	15.4
833.55841	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	2.3
65.03921	0.9
67.05511	4.3
68.99774	2.5
69.03432	19.0
69.07054	2.3
69.71659	3.4
70.06591	0.7
71.01331	0.8
71.04982	2.3
73.02913	3.0
77.39672	0.5
79.05498	4.0
80.42159	0.5
80.83990	0.6
81.03416	22.2
81.06591	0.9
81.07059	17.2
83.01338	0.6
83.04988	0.7
83.08604	1.1
83.82462	0.6
85.02908	35.6
87.00833	21.1
91.03949	1.1
91.05482	6.9
93.07048	13.9
95.04964	1.4
95.08610	13.7
97.02894	25.0
97.10162	1.4
98.21455	0.8
99.04466	6.6
103.05501	1.2
105.01865	23.0
105.07034	29.5
106.07362	0.6
107.04990	0.6
107.08603	11.0
108.04462	1.6
109.02884	32.7
109.06499	0.8
109.10151	9.1
111.04411	0.9
117.01874	1.4
117.07019	1.5
119.07814	1.2
119.08588	15.2
121.10145	7.0
123.04411	1.1
123.11684	2.2
127.03924	48.4
128.04207	0.7
129.01810	1.7
129.06996	1.3
131.08568	8.7
133.10146	9.3
135.11681	2.6
137.13205	0.8
139.11188	0.6
143.08559	9.2
145.04973	10.9
145.10121	13.4
147.02930	1.5
147.11700	9.2
149.13258	2.5
151.03838	0.8
157.10115	4.5
159.02896	6.5
159.11711	10.3
161.13255	12.7
163.14772	3.0
169.04958	1.6
169.10089	0.8
171.02951	0.9
171.11674	3.5
173.13271	9.2
175.14821	6.2
179.10622	1.0
183.11694	1.3
183.52542	0.5
185.13257	2.7
187.06018	1.1
189.03886	3.4
193.05013	1.0
193.12253	1.7
195.11763	0.8
199.14828	17.3
200.15378	0.6
201.12718	0.7
205.12100	1.4
207.13794	3.2
213.03941	13.4
213.16367	3.6
217.04942	1.1
221.15390	1.0
227.14348	0.6
227.17979	4.7
231.05008	26.5
235.05968	1.0
244.68707	0.5
245.15387	7.7
248.07608	0.6
249.06070	5.9
255.05086	1.0
255.21092	63.2
256.21329	2.4
259.16986	1.2
265.19382	1.6
273.06091	10.0
273.18524	2.2
273.22064	1.6
283.17801	0.8
283.20578	7.4
284.20486	0.8
297.06262	0.8
301.21622	100.0
302.22000	4.0
315.06979	1.7
321.06003	0.7
336.36807	0.7
339.07074	3.8
357.08167	3.6
425.07224	0.8
430.78851	0.6
436.51929	0.7
443.08118	2.1
461.09344	4.9
479.10312	2.3
503.26303	0.7
531.25830	4.9
549.26831	0.8
629.59033	0.6
659.99011	0.6
677.28992	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4921
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	5.7
61.03228	0.5
67.05511	5.7
69.03432	3.7
69.07063	2.2
69.82051	1.1
69.82457	0.6
70.63187	0.3
71.01349	0.4
71.05018	0.4
73.02921	4.1
79.05502	4.8
81.03418	2.1
81.07068	4.7
83.08638	0.9
85.02914	5.9
86.09684	0.4
87.04493	0.4
91.03963	3.4
91.05488	2.3
93.07047	4.2
93.07568	0.4
95.04997	0.4
95.08606	3.4
95.09167	0.3
97.02895	4.6
97.10190	1.1
98.20789	0.4
99.04480	0.8
101.02397	1.9
103.03976	0.3
105.07049	1.7
107.04995	0.4
107.08620	2.9
109.02906	1.1
109.10176	1.7
115.05524	0.4
117.07084	0.5
119.08622	1.5
121.10165	1.7
125.09634	0.5
127.03969	1.2
131.08601	1.0
133.10164	0.9
135.11734	1.0
137.13176	0.3
145.10152	0.3
147.11743	0.7
149.13307	0.6
159.11676	0.4
184.07396	1.0
185.04216	0.6
203.05400	0.4
223.13426	0.6
243.08426	2.6
291.19641	0.6
303.99649	0.3
331.18845	1.9
335.25955	0.9
373.11670	0.4
416.29938	0.3
470.44232	0.3
487.13535	0.4
519.29382	9.2
549.26758	3.4
756.52924	0.4
827.49219	100.0
828.49438	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	827.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.7
65.03957	0.4
67.05511	8.1
68.05842	0.4
69.03432	2.5
69.07073	2.7
69.18584	2.2
69.19006	1.9
69.84320	0.4
71.01355	0.6
71.04999	1.0
73.02930	2.6
79.05495	5.5
81.03413	1.9
81.07063	9.5
82.07378	0.5
83.04988	1.4
83.08622	1.1
85.02911	4.0
85.06536	0.6
86.09699	0.6
88.35511	0.3
91.03957	2.6
91.05489	4.9
93.07049	6.0
94.07418	0.4
95.04987	0.9
95.08607	5.2
97.02893	3.2
97.06531	0.7
97.10210	0.7
99.04484	0.5
101.02393	1.4
103.03916	0.4
105.07050	4.0
107.06741	0.4
107.08595	4.4
109.02905	0.8
109.10168	3.1
110.10477	0.7
117.07019	0.7
119.08587	1.9
121.06540	0.5
121.10181	2.4
123.11722	0.5
125.09640	0.6
125.93703	0.4
127.03908	0.9
129.05505	0.4
129.07047	0.4
131.08580	1.8
133.10133	3.4
135.08009	0.4
135.11720	1.6
145.05052	0.5
145.10120	0.8
147.11699	1.1
149.13260	0.9
151.11185	0.9
159.11687	0.7
184.07338	2.4
185.04254	0.5
187.14838	0.4
203.05338	0.5
243.08397	2.1
261.22275	0.5
262.22253	0.4
269.17566	1.1
270.17813	0.7
275.19928	0.4
320.77921	0.4
331.18839	1.5
335.26013	1.7
336.26343	1.7
337.27417	0.6
338.27963	0.8
346.33212	0.4
349.23807	0.6
351.25034	0.4
352.26053	0.4
437.88879	0.5
470.53680	0.4
519.29285	4.8
529.39124	1.3
530.39392	2.3
535.06830	0.4
549.26794	5.3
612.47052	1.0
745.91187	0.4
809.48181	0.4
820.19806	0.4
827.49194	100.0
828.49664	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	827.492
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08170	0.4
61.02934	5.7
65.03951	0.7
67.05506	6.5
69.03438	3.8
69.07066	1.2
70.91227	0.9
71.01391	0.5
71.05005	0.6
73.02927	5.0
77.16420	0.4
79.05499	5.1
81.03418	1.7
81.07065	5.8
83.04961	0.4
83.08633	0.9
85.02907	5.7
85.06556	0.4
86.09708	1.9
91.03962	2.5
91.05492	3.8
93.07050	4.7
95.04986	0.7
95.08609	4.0
97.02900	5.0
97.10144	0.5
99.04479	0.8
101.02402	1.5
105.07072	2.5
106.34905	0.4
107.08596	2.5
108.29663	0.5
109.02911	0.8
109.06551	0.5
109.10147	2.2
115.03968	0.6
117.07062	1.5
119.08607	2.0
121.06516	0.6
121.10168	1.8
125.00027	1.3
127.03934	1.4
131.08601	1.7
133.10184	1.1
135.11717	0.8
143.08586	0.8
145.10176	1.2
147.11723	0.6
148.37997	0.4
149.09732	0.4
149.13261	0.4
161.13344	0.4
162.36975	0.4
171.11734	0.4
184.07381	4.6
229.14433	1.7
243.08394	2.5
298.79819	0.4
301.08789	0.4
313.27493	0.6
314.27921	0.6
321.75858	0.5
331.18802	6.8
335.25928	1.1
387.21649	0.5
458.70068	0.5
458.76257	0.4
468.38089	0.7
519.29315	6.2
520.29773	0.5
521.26709	0.4
549.26764	3.2
663.85571	0.5
827.49207	100.0
828.49524	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	829.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	5.0
65.03940	0.3
67.05511	5.4
69.03146	0.3
69.03442	3.4
69.07081	1.7
70.64028	0.5
70.64374	0.4
71.01360	0.6
71.05007	0.5
73.02927	3.7
75.04476	0.3
79.05505	4.3
81.03422	1.7
81.07065	5.6
83.04978	1.1
83.08630	0.6
85.02912	4.3
87.04481	0.5
91.03964	3.3
91.05485	2.9
93.07054	4.0
95.04997	0.8
95.08612	3.8
97.02907	4.8
97.06554	0.7
99.04459	0.9
101.02374	1.6
103.03986	0.3
105.07034	2.1
107.08614	2.2
109.02869	1.0
109.06550	0.7
109.10144	1.5
115.03946	0.6
117.07034	0.8
119.08589	1.9
121.10129	1.5
127.03955	1.2
131.08607	0.9
133.10153	0.7
135.11720	1.2
145.10147	0.5
147.11757	0.4
149.13313	0.5
159.11710	0.5
175.07703	0.4
184.07451	0.4
185.04141	0.4
222.08482	0.3
229.08739	0.9
241.08611	0.5
243.08423	2.7
264.00754	0.4
333.20416	3.9
335.25919	0.4
519.29272	7.7
520.29755	0.4
551.28265	2.8
640.94946	0.3
775.43976	0.6
793.45691	0.4
829.50763	100.0
830.51093	8.4
836.12726	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06612	2.1
60.04531	30.7
61.02924	6.8
65.03944	3.6
65.72298	2.3
67.05510	62.6
69.03432	7.9
69.07061	15.6
70.02958	6.1
70.06584	9.7
71.04985	5.0
71.08631	2.1
71.51221	2.9
72.04494	2.4
73.02895	3.2
74.06059	2.1
77.03835	3.1
79.05495	48.2
80.05024	5.6
81.03422	70.1
81.07057	67.4
82.06567	4.5
83.04966	8.2
83.08624	15.9
84.04500	3.7
85.02911	7.6
86.06067	6.7
86.09733	2.0
87.04467	8.8
88.03991	12.5
91.03968	3.2
91.05482	39.7
92.04996	2.7
93.07049	42.9
94.06571	5.8
95.04967	24.8
95.08611	46.3
96.03949	2.1
96.04494	9.3
96.08122	2.6
97.02897	8.5
97.06538	5.1
97.10168	6.7
98.06052	8.7
104.07121	3.1
105.07038	20.5
106.05032	56.5
107.04970	6.1
107.08592	28.6
109.06507	3.6
109.10150	20.3
110.06041	4.3
111.04432	2.8
111.08098	6.9
114.05535	2.2
115.05450	2.5
116.03457	7.1
117.07035	6.3
118.06546	8.5
119.08601	19.1
121.06496	3.1
121.10149	22.9
122.05993	2.4
123.08118	4.6
123.11687	7.0
125.09616	7.1
129.07034	6.9
130.04926	2.5
131.08594	18.8
133.10123	12.9
135.11684	12.1
138.12856	2.6
142.07826	2.7
144.06523	5.5
145.10101	6.9
147.08020	3.1
147.11678	9.5
149.09631	14.9
149.13252	6.7
151.11203	3.0
157.10123	8.6
159.11691	5.3
160.06047	3.3
161.13278	5.1
162.12750	3.0
163.11147	2.4
163.14844	4.4
173.13293	3.9
175.11195	9.8
175.14755	2.3
180.13797	3.3
184.07404	3.8
185.13197	2.3
190.12315	4.8
193.12245	20.7
198.14911	3.6
202.16051	3.8
205.48602	2.3
206.15411	3.6
208.13348	32.5
210.14839	10.7
216.13747	2.1
223.13008	1.8
224.16574	2.4
226.14388	33.1
227.12920	2.5
228.15944	6.3
230.15421	24.8
234.14905	5.6
235.13216	2.7
236.12869	2.3
242.17577	3.1
243.21178	2.6
244.15482	2.9
249.14732	2.3
252.16028	11.4
254.13872	9.1
256.15482	3.6
261.22165	17.8
267.15933	100.0
268.16339	2.5
270.17099	5.3
272.14853	2.5
280.15115	2.1
298.16321	4.5
304.18948	2.9
317.24673	2.5
328.17529	6.4
334.20059	4.5
335.25800	91.1
336.26129	5.1
346.18646	3.4
372.20157	8.3
435.32755	2.8
446.24094	2.0
453.33853	4.7
474.36761	2.0
527.37305	44.2
545.38367	24.7
578.40393	8.2
588.38922	4.9
606.39868	19.6
624.41339	8.4
632.41107	7.3
650.42664	42.2
668.43835	24.6
812.48895	7.6
830.50928	28.0
859.15833	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	827.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.2
67.05502	4.2
68.87561	0.4
69.03433	2.9
69.07066	1.2
69.84005	0.4
70.07633	1.4
71.09761	0.4
73.02921	3.9
77.05699	0.4
79.05492	5.8
81.03423	1.2
81.07058	3.7
85.02911	4.2
85.06539	0.4
86.09739	1.2
91.03964	1.8
91.05492	5.9
93.07047	5.9
95.08601	3.2
97.02887	4.3
98.98466	0.5
99.04461	0.9
101.02367	1.2
105.07051	4.3
107.08575	2.4
109.02896	0.7
109.06529	0.7
109.10158	1.4
117.07042	2.1
119.08569	4.0
121.10149	2.3
123.08167	0.5
125.00043	0.6
127.03942	1.2
129.06995	0.8
131.08597	1.7
133.10121	2.4
135.11687	1.1
142.56160	0.4
143.08577	1.0
145.10077	2.2
147.11755	1.7
159.11720	0.9
184.07333	3.1
185.13220	0.8
195.11757	0.4
219.17381	3.1
221.14964	0.5
230.14822	0.7
243.08392	2.7
315.19229	2.7
317.21027	0.5
350.52652	0.5
371.22141	0.6
468.37506	0.5
533.27350	7.0
535.28815	5.8
709.19855	0.4
739.32886	0.5
827.49182	100.0
828.49432	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	827.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.6
65.03922	0.5
67.05508	4.5
69.03436	2.8
69.07072	2.5
71.04983	0.5
71.07380	0.5
73.02923	2.4
79.05499	4.5
81.03440	1.8
81.07057	4.1
82.83051	0.4
83.08615	0.5
85.02897	4.0
86.09694	3.0
87.04481	0.6
91.03954	2.7
91.05483	4.9
93.07050	4.7
95.05016	0.7
95.08598	2.7
97.02885	3.2
97.06532	0.8
98.21528	1.2
99.04485	0.6
101.02406	1.4
105.07029	3.8
107.08588	2.5
109.02889	0.7
109.10187	1.8
117.07032	1.0
119.08585	3.5
121.10148	0.8
125.00022	2.7
127.03944	0.9
129.07054	0.8
131.08614	1.6
133.10184	1.9
135.11722	1.0
145.10240	0.9
147.11720	1.5
149.09669	0.7
149.13310	0.6
159.11717	1.0
161.13322	0.4
184.07365	8.7
185.04324	0.7
185.07770	1.0
196.13100	0.4
203.05367	0.5
219.17494	0.8
229.14497	1.2
243.08507	3.1
265.14182	0.5
287.08044	0.5
301.09134	1.3
314.27945	0.9
315.10464	0.7
315.19321	3.8
371.22009	1.2
373.10971	0.5
411.03555	0.5
465.20929	0.7
467.37817	0.5
468.37823	1.1
513.46271	0.5
533.27167	6.9
535.28876	5.8
605.29651	1.0
647.34448	0.8
827.49200	100.0
828.49390	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	826.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	3.3
59.52622	0.5
59.76995	0.4
61.02931	10.6
65.03938	1.6
67.05510	66.0
69.03434	2.8
69.06733	0.5
69.07077	6.0
71.04998	3.1
71.08639	17.7
71.51088	0.8
73.02922	3.2
73.52042	0.4
79.05493	1.9
81.03409	0.9
81.07061	16.2
83.05014	0.6
83.08625	10.8
85.02913	10.9
85.06544	2.5
85.10188	10.3
86.09722	2.4
87.04485	0.6
89.06036	1.3
91.03959	8.2
91.05495	4.2
93.07069	2.8
94.60374	0.5
95.08614	16.2
95.28407	0.4
96.08926	0.5
97.02901	6.3
97.06553	0.5
97.10175	3.1
99.04457	1.2
99.08110	0.9
99.11716	0.5
103.07593	0.9
105.07030	0.7
107.08604	1.1
109.02875	0.6
109.10163	71.4
110.10491	1.1
111.08081	2.2
111.11728	0.6
115.03948	0.8
119.08603	4.8
123.11687	2.9
125.00027	1.5
127.03970	3.1
127.11195	0.5
127.78860	0.5
135.11636	0.6
137.09625	3.1
137.13203	0.6
145.04933	3.6
155.02646	0.4
155.10696	6.4
156.13922	0.4
163.06012	2.9
173.11758	16.6
184.07359	8.2
189.73596	0.4
208.77328	0.4
229.14369	100.0
230.14705	1.7
239.23816	1.4
257.24753	1.9
292.44122	0.4
313.27386	79.3
314.27689	1.5
434.14545	0.5
467.37384	64.2
468.37723	2.6
711.47552	0.4
826.50562	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5679
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	3.7
61.42633	2.1
64.33219	2.1
65.03938	4.6
67.05508	100.0
69.03411	10.2
69.06792	2.2
69.07074	23.5
71.04979	5.6
71.08610	8.0
71.51534	3.4
73.02892	3.3
79.05079	4.2
79.05495	55.7
80.05792	2.3
81.03450	11.0
81.06593	4.7
81.07059	86.5
83.04981	11.2
83.08636	16.2
85.02894	8.2
85.06530	2.3
86.09721	12.0
91.05488	44.7
93.06488	3.8
93.07050	62.0
95.04954	7.5
95.08615	60.8
97.02874	7.2
97.06524	7.1
97.10177	11.0
99.08096	5.7
105.04524	2.6
105.07032	34.6
107.08590	35.5
109.06512	5.2
109.10161	28.2
111.04456	2.9
111.08086	4.6
117.07024	12.8
119.08585	24.7
121.06497	4.1
121.10152	22.9
123.08068	3.0
123.11674	10.3
125.00005	5.7
125.09635	7.3
127.03867	3.3
129.06996	5.7
131.08568	18.5
133.10126	22.4
135.08031	3.0
135.11641	11.1
137.13205	2.5
143.08556	4.2
145.10133	12.9
147.11673	10.6
149.09599	3.0
149.13289	14.2
151.11180	5.0
157.10066	4.3
159.11668	10.4
161.13269	7.9
163.11168	5.6
163.14795	2.8
173.11743	5.7
173.13225	5.7
175.14821	3.0
177.12794	2.8
184.07372	32.3
184.41022	2.4
185.13217	4.4
189.11136	4.9
195.13872	4.9
227.12779	9.7
229.14406	11.6
257.18881	4.3
259.20639	2.8
261.22067	6.1
263.23605	3.6
266.79337	2.7
269.17471	23.9
275.20059	18.7
277.21585	4.6
335.25845	41.6
336.26147	6.4
337.27325	29.3
349.23651	12.3
351.25320	7.1
367.24570	3.5
460.72641	2.4
489.35672	6.7
491.37265	3.8
507.36768	2.9
529.38910	42.6
530.39111	4.7
571.43585	3.3
611.46539	22.0
629.46838	4.3
827.33923	3.2
827.49084	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5524
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08158	4.7
61.02925	7.3
65.03951	4.5
67.05512	66.6
69.03417	8.0
69.07063	22.9
71.04974	4.6
71.50944	8.3
76.19767	4.4
79.05495	54.2
81.03418	5.9
81.07069	54.5
83.04993	5.2
83.08623	10.2
84.04513	11.0
84.08150	9.3
85.10190	5.3
86.09711	14.2
91.05480	68.0
93.07056	56.9
95.04946	9.1
95.08618	46.7
97.02908	4.6
97.10165	7.6
105.07037	39.5
107.04884	5.6
107.08607	32.4
109.06471	5.2
109.10176	23.8
110.09701	25.3
110.44472	5.0
112.11250	9.9
117.07022	21.1
119.08580	39.9
121.10133	22.2
123.11743	4.8
125.00020	9.6
127.12286	5.9
129.07010	17.0
131.08617	27.9
133.10147	29.3
135.11710	15.4
138.09132	12.2
140.10678	15.7
142.07848	6.5
143.08556	18.0
145.10133	25.9
147.11693	20.8
155.08525	10.7
157.10110	7.6
159.11687	25.1
161.13257	8.6
168.10249	17.7
169.10155	17.0
171.11700	14.7
173.13310	7.1
179.98276	4.5
181.10123	7.3
183.11656	9.7
184.07397	51.3
185.13338	9.6
197.13336	10.2
199.14793	9.2
211.14886	9.6
227.17938	5.0
250.14534	5.7
333.24121	9.7
335.25665	6.8
517.40350	14.7
591.43384	9.9
598.42889	6.6
609.45154	100.0
610.45337	11.4
662.46454	12.2
824.50787	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	826.516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	2.8
61.02933	8.0
64.05055	0.4
65.03941	1.6
67.05509	58.2
69.03444	1.5
69.07073	5.3
69.40012	3.3
71.04999	1.6
71.08636	13.9
73.02924	3.1
74.73783	0.4
79.05502	1.6
81.03418	0.8
81.07060	14.5
83.08625	9.4
83.09119	0.6
85.02912	11.8
85.06544	2.1
85.10189	7.3
86.09717	1.5
89.06058	1.3
91.03962	7.6
91.05486	4.3
93.06535	0.4
93.07036	2.1
95.04955	0.6
95.08616	14.9
96.04532	0.8
97.02892	6.4
97.06516	0.4
97.10184	3.0
98.98497	0.4
99.04457	0.5
99.08104	0.5
99.11732	0.8
103.07606	0.8
104.10734	0.4
107.08611	1.3
109.10163	60.0
109.27565	0.5
110.10497	0.7
111.08096	1.8
115.03954	0.7
119.08601	4.8
121.10155	0.5
123.11713	1.9
125.00023	1.1
125.09665	0.4
127.03919	2.9
137.09573	2.9
137.13255	0.7
145.04950	3.4
155.10681	4.7
163.06010	3.7
173.11751	14.9
173.58641	0.4
184.07335	5.5
229.14363	100.0
230.14755	1.5
239.23756	1.2
246.31680	0.4
257.24725	1.4
313.27374	71.3
314.27673	2.2
359.38345	0.4
404.02731	0.4
467.37363	65.7
468.37704	3.1
500.38269	0.4
531.06476	0.4
631.54675	0.5
826.47675	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	1.6
61.02942	2.8
65.03937	6.5
65.88981	1.2
67.05511	85.9
69.03445	6.7
69.07076	25.0
69.93645	3.3
69.94041	1.8
71.04986	4.8
73.02907	1.9
75.50493	1.1
77.03941	1.4
79.05502	69.7
81.03428	6.5
81.07064	89.3
83.04978	8.1
83.08623	12.8
85.02905	3.9
85.06544	3.4
91.04916	2.1
91.05489	58.2
93.07053	72.3
95.04999	8.3
95.08615	56.5
97.02899	3.8
97.06532	8.7
97.10175	4.2
99.04518	1.8
105.04538	2.9
105.07039	38.4
107.04944	4.8
107.08599	36.6
109.02900	1.5
109.06518	6.0
109.10165	24.0
111.08082	3.4
111.11712	1.2
113.05981	1.3
115.05465	2.4
117.07031	21.4
119.08593	27.4
119.78218	1.1
121.06514	3.5
121.09333	2.5
121.10152	31.7
123.08077	3.8
123.11728	8.0
125.09635	3.1
127.03911	2.2
128.06198	2.1
129.05527	2.4
129.07021	6.7
131.08578	23.2
133.06560	1.5
133.10139	23.9
135.08093	4.6
135.11694	15.6
137.09598	3.3
137.13275	1.6
139.11183	2.1
141.07013	2.9
142.07733	1.3
143.08577	6.3
144.09428	1.6
145.10133	16.7
147.08092	1.3
147.11716	12.1
149.09631	5.2
149.13289	8.3
151.11162	1.6
155.08549	2.2
157.10168	7.4
159.11688	15.1
161.09715	1.6
161.13277	5.8
163.11211	4.4
163.14839	2.9
169.10127	3.4
170.65182	1.3
171.11726	4.6
173.04495	2.5
173.11853	2.4
173.13269	7.6
175.11177	1.9
175.14825	5.0
177.12842	3.4
179.14250	1.4
183.11708	2.8
185.13251	5.2
187.14809	3.2
189.16368	1.6
191.14279	1.6
197.13284	2.2
199.14894	2.4
201.12798	1.4
201.16457	1.2
203.14438	2.3
217.15942	1.9
219.17436	2.6
221.15395	1.6
227.12852	2.3
229.14243	6.2
235.16922	2.8
239.18016	3.9
243.21115	3.2
247.20650	1.6
255.15967	3.4
257.18988	8.7
259.20593	3.2
261.22141	8.4
262.22345	1.6
269.17508	11.6
275.20105	21.4
309.20633	8.9
317.24765	3.3
331.22702	2.8
333.24203	2.7
335.25827	100.0
336.26120	4.0
349.23746	16.0
367.24884	1.8
394.57501	1.3
489.35559	4.8
515.37311	6.9
529.38910	32.8
569.42114	25.3
570.42371	1.4
609.45258	20.4
610.45172	2.5
627.46533	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	824.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	2.1
61.02921	3.7
65.03931	5.7
66.81596	1.3
67.05508	100.0
68.05874	1.5
69.03441	8.8
69.07069	36.5
69.14314	11.9
69.14719	4.0
71.04980	4.8
79.05496	80.5
81.03421	7.8
81.07059	89.4
81.30125	1.8
82.07397	1.7
83.04977	10.6
83.08628	14.9
85.02910	5.0
85.06538	5.6
88.65858	1.3
91.04913	3.1
91.05484	59.3
93.07045	75.5
95.04968	10.3
95.08608	60.0
97.02888	4.7
97.06528	8.6
97.10175	15.9
97.45502	1.8
99.04433	1.8
99.08098	3.8
103.05495	1.9
105.07037	52.7
107.04951	7.1
107.08603	49.2
109.02838	2.2
109.06512	7.7
109.10169	27.1
111.08067	5.1
113.09622	2.1
115.05504	1.4
117.07024	19.6
119.08585	38.2
121.06501	3.1
121.09323	2.7
121.10145	31.1
121.98544	1.5
123.08067	4.5
123.11745	8.0
125.09642	10.2
127.03947	2.6
128.06157	1.7
129.05458	1.8
129.06992	7.5
131.08572	30.1
133.10146	29.8
135.08055	4.5
135.11688	18.6
137.09624	2.3
141.06966	1.7
143.08597	7.7
145.10124	21.1
147.11694	19.8
149.09630	9.1
149.13225	11.2
151.11203	1.7
155.08534	2.9
157.10117	4.5
159.11739	17.5
161.09639	2.0
161.13277	7.3
161.25108	1.5
163.11195	6.8
163.14801	2.4
165.12764	2.5
169.10162	3.7
171.10307	1.7
171.11716	4.5
173.13261	10.8
175.11235	2.0
175.14784	1.9
177.12744	3.9
177.76419	1.8
179.14308	2.7
183.11685	4.8
185.13197	4.9
187.14793	3.2
189.11223	5.7
195.13794	1.6
197.13245	2.2
201.16444	1.7
203.14363	2.4
219.17464	4.3
225.16457	1.6
227.12755	11.4
229.14267	3.7
229.19527	3.4
239.18005	4.7
241.19522	2.5
243.21080	3.1
257.18967	10.5
259.20517	3.2
261.22119	10.7
267.15988	4.7
269.17459	5.5
275.20078	41.0
276.20667	1.7
293.21194	2.5
314.43692	1.4
317.24765	1.8
321.23798	1.4
331.22610	3.4
333.24088	2.0
335.25797	97.0
336.26138	4.3
349.23749	35.4
373.18750	1.3
489.35660	5.4
502.57104	1.9
505.35202	3.8
513.39606	1.5
515.37305	5.4
529.38776	17.2
562.56781	1.6
569.41943	4.5
609.45154	48.9
610.45068	2.8
627.45844	4.8
825.46753	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	822.5373
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	15.3
65.03957	3.2
67.05508	63.0
69.03414	4.9
69.07073	20.4
71.05008	4.9
71.23883	1.9
71.51975	2.3
71.52352	2.5
79.05077	3.7
79.05499	50.9
81.03407	6.7
81.07063	61.5
82.07396	3.2
83.05005	4.5
83.08616	11.5
85.02902	4.2
85.06512	2.9
85.24560	2.0
86.09715	7.5
91.05487	50.0
93.07047	47.8
95.04949	7.0
95.08610	39.0
97.06528	5.5
97.10189	7.7
105.07030	45.1
107.04940	6.4
107.08609	24.9
109.06522	11.0
109.10140	15.0
115.05437	3.4
117.07035	30.6
119.08591	26.9
121.06508	7.7
121.10160	19.4
123.08065	4.2
123.11686	3.7
124.99925	2.9
125.09617	5.7
128.06192	11.9
129.06995	19.4
130.07806	6.7
131.08574	48.3
133.06534	3.6
133.10126	18.8
135.08061	3.3
135.11682	10.8
137.09613	3.0
139.11188	2.6
141.06987	4.4
142.07799	5.8
143.08578	44.2
145.06454	4.0
145.09065	3.6
145.10138	47.7
147.08063	7.3
147.11702	8.4
149.09612	3.5
149.13286	4.7
155.08565	6.1
157.10114	14.3
159.08041	5.7
159.11693	12.3
161.09579	11.3
161.13202	4.4
163.11188	2.6
163.14799	2.7
165.49074	2.1
169.10127	8.2
171.11732	12.4
173.09596	2.3
173.13257	4.9
175.11266	2.8
181.10126	7.0
182.11041	2.3
183.11691	6.5
184.07358	16.2
185.13251	4.9
189.11208	3.0
189.12756	2.9
195.11768	10.9
213.12657	3.0
217.15662	2.5
227.12695	2.4
237.16403	12.2
241.14316	2.5
245.18909	3.0
255.17372	12.5
261.22260	2.5
273.18521	45.0
275.19983	3.6
289.18094	4.7
290.18283	2.8
298.63184	2.3
307.18982	3.8
311.29288	2.2
329.21149	7.2
331.61090	2.4
333.24402	2.8
335.25821	100.0
336.26193	9.0
346.16467	2.1
347.18216	4.4
347.22150	37.0
436.78436	2.0
438.18802	2.3
449.79022	2.5
607.43518	71.9
608.43756	4.9
625.44537	13.7
759.97339	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	822.5381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	13.6
57.94080	2.9
65.03963	2.6
67.05514	46.9
69.03418	3.3
69.07066	9.7
71.04975	2.7
71.50955	3.2
79.05504	42.0
79.83700	3.1
81.03413	6.2
81.07065	42.1
83.04966	5.9
83.08614	7.7
85.06546	6.4
86.09754	3.8
90.07630	2.6
91.05489	58.3
93.07051	53.1
94.07355	2.8
95.04963	7.6
95.08613	29.4
96.06441	3.5
97.06513	3.7
97.10203	3.7
99.04473	3.7
105.07043	52.8
107.04964	8.6
107.08591	29.4
109.06501	9.1
109.10193	13.1
117.07024	16.2
119.08608	35.4
121.06491	4.5
121.10131	18.6
123.08039	4.2
128.06218	2.5
131.08594	33.0
133.10153	27.3
135.11696	11.1
136.06192	3.0
137.06018	3.0
137.09570	4.3
143.08592	6.2
145.10135	17.7
147.11684	11.0
149.09659	4.5
157.10181	4.0
159.11662	13.3
161.13252	7.4
171.11765	5.6
173.13350	5.9
184.07422	12.9
201.16377	5.7
219.17458	100.0
241.19588	7.5
257.18982	3.7
259.20642	16.2
275.20126	24.4
293.20984	3.5
307.19073	4.3
308.19345	3.4
315.23157	8.5
333.24249	56.7
334.24408	3.5
335.25809	4.2
349.23764	21.4
381.22403	2.5
607.43805	54.0
608.43719	3.7
625.44403	6.1
660.45496	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	822.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	11.7
57.07077	3.3
57.86546	2.5
65.03941	5.5
67.05513	88.7
69.03439	11.2
69.07077	29.9
71.04997	6.7
72.20181	2.5
73.21474	2.6
74.93690	2.6
79.05065	5.9
79.05501	67.7
81.03429	10.4
81.06589	5.3
81.07067	90.5
83.04998	8.0
83.08225	3.1
83.08630	18.3
84.79629	2.8
85.02916	5.2
86.09727	5.0
86.82327	3.0
91.04909	4.7
91.05489	90.5
92.05794	4.0
93.07051	61.6
94.07390	4.1
95.04977	12.1
95.08623	54.2
97.06548	17.2
97.10177	10.0
98.20714	6.3
103.05486	6.3
105.04562	4.2
105.07042	68.5
105.07702	5.4
106.07373	2.8
107.04983	9.8
107.08605	39.0
109.06536	11.8
109.10180	21.2
109.42685	2.8
111.04469	3.4
111.08081	4.3
115.05461	9.7
116.06258	4.0
117.07024	47.6
119.08595	37.2
121.06501	9.8
121.10155	27.2
123.08086	9.6
123.11756	4.9
125.09653	8.4
128.06247	26.9
129.07043	32.0
129.90474	3.3
130.07802	12.7
131.08586	95.9
133.06488	10.1
133.10150	31.2
135.08095	9.6
135.11707	13.6
137.09637	5.2
141.07002	13.3
142.07822	8.9
143.08580	91.9
145.10138	86.8
147.08047	11.3
147.11696	11.8
149.09663	8.2
149.13313	4.6
151.07497	3.2
153.06990	3.0
154.07756	3.1
155.08565	8.7
157.10161	23.4
159.08066	6.9
159.11725	27.2
161.09645	12.7
163.11200	4.9
163.14819	4.5
167.08656	5.2
169.10141	18.9
171.11716	19.6
173.13289	5.0
175.11247	7.7
177.12726	4.6
181.10083	14.2
183.11705	12.1
184.07372	11.7
185.13327	6.2
186.15733	2.9
195.11766	18.7
197.13248	3.8
198.80199	3.3
199.11201	5.1
201.12805	5.5
209.13414	3.9
213.12860	3.0
227.18007	5.8
237.16463	27.4
245.19154	4.4
255.17522	22.2
259.20657	3.3
261.22253	9.1
267.15906	3.1
271.17020	4.1
273.18524	77.3
274.18793	4.3
275.20016	5.1
289.17804	7.7
290.18396	7.0
291.19501	6.2
307.19183	5.2
308.19318	3.1
329.21167	11.6
335.25854	100.0
336.26181	12.0
341.24594	3.2
347.22202	50.2
363.21457	4.4
381.23038	2.8
607.34052	5.8
607.43616	72.5
608.43677	5.5
624.43585	3.3
625.44861	19.2
642.44495	5.8
771.10736	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	11.4
65.03918	2.9
67.05181	2.6
67.05509	34.3
69.03392	1.5
69.07074	12.0
71.04968	2.4
71.52297	3.0
73.88537	1.4
79.05495	35.8
79.69633	1.5
81.03412	3.0
81.07063	30.7
83.04974	3.6
83.08619	5.5
85.06551	3.2
86.09695	2.9
91.05485	48.3
91.06027	3.5
92.05816	2.0
93.07047	38.8
95.04958	4.8
95.08614	21.6
97.06541	2.8
97.10194	2.6
99.04461	1.9
99.08122	1.6
103.05452	2.4
105.07042	39.3
107.04957	6.0
107.08598	22.2
109.06519	6.5
109.10172	9.7
111.08096	2.3
117.07022	16.6
119.08585	29.1
121.06511	3.2
121.10166	15.6
121.10947	2.5
123.11678	2.0
129.07004	5.1
131.07722	2.7
131.08588	23.9
133.10135	24.0
135.08076	3.5
135.11697	9.8
143.08539	4.4
145.10109	14.3
147.11678	11.5
149.09657	2.9
149.13286	3.8
157.10118	5.0
159.11708	12.4
159.51811	1.6
161.09589	1.7
161.13231	7.5
163.11090	2.1
171.11736	2.7
173.13297	5.0
175.14784	2.0
184.07344	7.4
185.13223	5.8
192.88989	1.5
199.14769	2.5
201.16394	5.1
203.14352	2.0
217.15692	1.9
219.17448	100.0
219.27357	1.7
220.17842	2.2
241.19498	5.7
257.19089	3.5
259.20538	15.1
275.20074	21.5
293.20929	1.7
307.18997	1.8
315.23193	5.9
333.20428	2.9
333.24268	47.3
333.28250	2.6
334.24500	2.0
335.25653	2.2
349.23785	18.4
387.90897	1.6
389.94485	1.7
505.61630	2.1
553.39014	3.0
607.43610	57.0
608.43774	5.5
625.44452	3.7
741.97272	1.7
822.43835	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	822.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	11.0
57.07081	1.8
61.02903	1.4
64.86481	0.9
65.03943	3.9
65.13960	1.1
67.05509	58.8
69.03426	7.5
69.06732	1.8
69.07078	29.5
71.04995	2.3
79.05497	46.3
81.03428	4.6
81.07061	55.8
83.04970	6.7
83.08624	11.1
85.02963	1.2
85.06546	1.6
88.96425	1.0
91.05484	30.4
93.07051	43.3
95.04997	7.9
95.08614	37.3
95.09061	0.6
97.02895	9.9
97.06547	5.3
97.10180	11.4
103.05485	1.7
105.04519	2.7
105.07038	25.4
107.04961	8.0
107.08607	24.6
109.06543	5.1
109.10162	17.5
111.08054	1.7
111.38381	1.0
117.07014	10.4
119.04946	1.7
119.08596	16.7
121.06516	3.2
121.10155	14.7
123.08067	4.9
123.11687	4.0
125.09622	7.7
127.07533	1.5
129.06992	5.0
131.08574	11.8
133.06512	2.5
133.10139	11.1
134.07208	1.3
135.08070	5.2
135.11700	8.3
137.09650	2.5
143.08560	4.3
145.10139	9.7
147.08072	5.5
147.11714	6.1
149.09709	2.4
149.13269	4.4
151.11206	2.0
153.09103	1.4
157.10095	3.6
159.11673	4.7
161.09589	2.0
161.13286	1.8
163.11221	2.3
163.14824	1.9
171.11697	2.4
173.13272	2.9
175.11226	1.3
177.12762	1.7
187.11345	1.1
187.14877	1.4
189.11230	4.2
189.12753	1.2
193.12238	1.7
195.13829	1.5
205.12306	1.1
223.13304	17.1
227.12802	2.5
228.94902	1.0
243.21074	2.4
249.14886	2.7
253.14384	2.4
255.17464	1.5
261.22162	8.0
263.20261	1.1
267.15970	1.3
273.18533	15.0
275.20306	1.2
291.19556	100.0
292.19946	3.5
317.24811	3.3
335.25818	87.8
336.26154	3.0
347.22147	3.1
365.23279	46.2
366.23459	1.2
373.82547	1.3
374.01221	1.2
386.99066	1.0
505.35129	1.4
527.36450	1.4
545.38171	3.0
587.87048	1.2
607.43683	2.7
625.44653	83.5
626.44720	4.2
702.27606	1.1
838.80225	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	12.6
57.07071	3.5
64.83224	1.6
65.03928	4.7
67.05511	100.0
69.03424	6.0
69.06739	2.1
69.07073	28.1
69.24897	15.9
71.04982	6.8
79.05498	74.0
81.03430	8.8
81.07061	94.0
82.07415	2.1
83.04992	34.3
83.08614	12.2
85.06526	7.3
91.05489	69.0
93.07050	72.3
95.04983	12.1
95.08612	54.4
97.02876	3.9
97.06519	6.1
97.10184	5.9
98.21584	2.8
99.04437	2.2
104.41449	1.6
105.04528	3.0
105.07040	67.5
107.04964	12.1
107.08604	50.3
109.06528	8.6
109.10165	53.9
111.08081	4.8
113.06022	1.9
115.05479	2.5
117.07047	14.0
119.04968	2.7
119.08582	23.3
121.06496	6.9
121.09336	2.2
121.10137	24.9
123.08067	7.7
123.11684	12.2
125.00018	1.9
125.09648	3.5
127.07474	2.3
128.06239	3.3
129.07027	4.7
131.08569	19.9
133.06496	5.7
133.10139	67.3
134.79268	2.0
135.08057	11.7
135.11681	16.7
137.09608	4.7
143.08571	8.4
145.10126	16.5
147.08043	7.1
147.11694	12.8
147.26210	1.7
149.09589	5.8
149.13226	5.4
151.11192	28.4
157.10100	6.8
159.08093	2.5
159.11732	10.1
161.09639	7.9
161.13283	5.6
163.11192	4.1
163.14754	1.5
165.09103	1.9
169.10121	2.1
169.12257	6.4
171.11668	6.5
172.90538	1.8
173.09564	3.0
173.13274	5.4
175.11238	5.5
175.14832	3.1
177.09109	2.0
177.12689	2.0
179.10716	3.7
184.07280	2.7
185.13245	4.1
187.11079	2.7
187.14867	1.9
189.12740	3.7
213.16391	1.8
215.12808	4.8
223.13264	2.7
227.17961	4.4
235.94551	1.8
237.16519	2.4
243.21112	3.6
245.18988	7.9
251.12720	4.8
253.11674	3.8
253.14359	77.5
255.17444	4.7
261.22168	11.6
263.20074	6.1
271.15384	2.9
273.18524	44.4
291.19559	38.7
309.20691	4.8
335.25827	78.1
347.22217	14.6
355.29395	2.0
365.23264	52.9
413.48193	1.8
417.30392	2.1
513.35553	5.6
531.36993	7.9
607.43646	8.9
625.44672	81.1
626.44409	4.4
770.25867	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	9.2
58.81484	3.5
67.05515	94.8
69.03432	3.9
69.07075	26.9
69.65097	3.4
71.04991	6.8
71.07381	3.3
76.63167	3.3
79.05497	69.6
81.03412	11.4
81.07062	95.7
83.04980	10.0
83.08643	10.6
85.02898	3.9
85.06554	4.4
86.09714	13.8
91.05492	71.0
93.07056	80.6
95.04983	9.9
95.08614	51.8
95.95844	3.4
97.06524	6.1
97.10159	4.7
104.09354	3.4
105.07043	64.9
107.04964	6.3
107.08604	58.5
109.06562	5.0
109.10176	55.1
111.08092	6.5
117.07052	17.9
119.08586	22.6
121.06480	7.1
121.10165	27.3
123.08056	5.8
123.11721	9.8
125.00022	7.4
129.07065	4.0
131.08592	28.3
133.06560	4.8
133.10136	70.7
134.10513	4.8
135.08084	7.8
135.11726	18.3
143.08560	7.6
145.10149	17.0
147.11707	14.1
149.09656	7.1
149.13312	10.0
151.11205	27.3
157.10129	6.2
159.11725	12.4
161.09592	7.1
161.13245	4.6
162.74374	3.4
163.14845	3.5
169.12344	6.4
170.58330	3.2
171.11729	8.3
173.13356	5.8
177.12660	4.9
179.10619	4.0
184.07368	38.1
185.07722	3.7
187.14914	4.2
197.03853	3.0
215.12775	3.7
243.21097	7.4
245.19127	5.4
253.14391	100.0
257.08801	3.4
259.20547	7.2
261.22174	10.6
273.18549	25.2
291.19525	26.5
315.22983	3.8
333.24255	12.8
335.25830	80.1
347.22150	7.6
365.23245	29.4
492.46588	4.5
513.35742	7.9
531.36945	17.0
607.42706	6.1
611.46429	8.9
625.44476	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.2
57.07084	0.3
58.06580	1.0
59.07397	0.8
60.08169	6.3
67.05508	1.2
69.07056	0.2
71.07378	3.3
71.50674	0.3
79.05492	0.7
81.07080	0.8
83.08638	0.2
86.09712	28.5
91.05502	0.7
93.07074	0.8
95.08630	0.6
97.10159	0.3
98.98479	3.4
104.10747	2.4
105.07034	0.6
107.08611	0.4
109.10188	0.5
119.08611	0.5
121.10160	0.4
125.00012	19.8
130.24112	0.2
130.84428	0.2
131.08603	0.4
133.10135	0.3
135.11681	0.5
137.13058	0.2
145.83888	0.2
159.11719	0.3
173.13257	0.2
184.07353	100.0
185.07672	0.6
188.01805	0.2
219.17442	2.6
222.08919	0.6
269.59604	0.2
275.19904	0.3
335.25742	1.2
349.23575	0.4
400.92679	0.3
516.49146	0.2
539.25476	0.2
550.34796	0.3
609.45239	2.3
650.44073	5.6
651.44568	0.3
678.46216	0.3
820.53461	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	820.5929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	10.1
67.05511	54.5
69.07071	16.9
75.88963	8.1
79.05488	28.3
81.07046	53.2
81.38161	8.4
86.09723	28.3
91.05493	25.0
93.07035	36.6
94.00594	8.7
95.08602	28.7
105.07018	12.9
107.08617	11.8
109.10178	15.1
111.72555	9.6
119.08579	14.4
121.10143	13.8
125.00014	13.8
131.08585	12.7
133.10127	10.7
135.11670	10.2
184.07364	62.0
202.46111	7.8
209.11707	9.1
261.22137	17.7
335.25815	100.0
336.26114	28.5
337.26883	12.2
595.46625	20.1
628.15643	9.6
642.81458	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	822.536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	10.9
57.07062	1.6
59.04988	0.9
65.03943	3.5
67.05506	55.2
69.03432	7.4
69.07069	31.7
69.15253	3.0
69.15670	5.5
71.04993	1.3
77.03930	1.0
79.05494	39.6
80.05835	0.8
81.03425	4.8
81.07055	51.6
83.04990	5.3
83.08627	10.0
85.02906	1.8
85.06518	1.9
86.09708	1.8
91.03962	0.8
91.04910	1.2
91.05486	26.8
93.07046	39.2
94.79462	0.8
95.04972	11.3
95.08607	32.2
97.02893	6.2
97.06535	4.7
97.10169	10.5
98.21597	1.6
99.04472	0.7
103.05486	0.8
105.07030	21.2
107.04958	9.2
107.08598	22.3
109.02861	1.3
109.06507	6.6
109.09498	0.6
109.10155	14.7
111.04436	1.0
111.08083	3.0
115.05453	1.8
116.06176	0.7
117.07030	7.5
119.04948	1.4
119.08579	15.7
121.06537	3.6
121.10147	13.4
123.08059	4.0
123.11689	3.9
124.99983	0.9
125.09615	6.4
127.07542	2.4
128.06177	0.9
129.07019	4.6
131.08568	12.4
133.06485	2.9
133.10129	10.6
135.08069	4.8
135.11702	8.0
137.09627	1.7
139.11194	1.0
141.07011	0.9
142.07779	1.2
143.08546	4.0
145.06552	1.0
145.10124	8.8
147.08037	6.3
147.11670	5.7
149.09624	2.7
149.13266	6.0
149.45222	0.7
151.11156	1.8
153.09087	1.2
157.10126	3.4
159.08014	1.2
159.11671	5.4
161.09608	3.2
161.13268	2.4
163.11143	2.5
163.14822	1.6
165.09119	0.9
169.10089	1.6
171.10223	1.4
171.11711	2.2
173.13266	3.6
175.11197	2.5
175.14801	1.1
177.12727	1.4
184.07365	4.5
187.14847	1.9
189.11249	3.9
189.12730	1.1
191.14326	0.8
193.12231	1.2
195.11946	0.8
195.13849	1.2
197.13249	0.7
201.16422	0.9
205.12263	1.7
223.13254	12.4
227.12784	4.0
227.17883	1.1
243.21118	1.6
245.19005	1.9
249.14949	4.4
253.14232	2.4
255.17470	1.8
261.22183	6.0
263.20071	1.9
269.37854	0.7
273.18500	18.3
282.88040	0.7
291.19543	100.0
292.19852	3.2
309.20602	1.2
317.24713	2.7
335.25800	66.7
336.26300	1.7
347.22247	4.2
365.23233	49.9
366.23581	2.2
529.38202	0.7
545.38385	3.7
607.43573	3.5
625.44635	55.5
626.44775	3.7
643.44177	1.0
772.35126	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.2
57.07079	1.8
58.49536	0.8
60.08158	1.0
62.28644	0.9
65.03922	1.8
67.05508	25.3
69.07072	7.1
71.07355	1.2
71.51067	1.4
79.05496	20.0
81.03439	1.4
81.07059	21.0
83.04993	3.2
83.08646	6.7
85.06586	1.0
86.09715	9.7
91.04920	1.3
91.05485	19.7
93.07046	20.2
95.04971	1.7
95.08617	16.1
95.09186	1.9
97.10174	7.6
99.08110	0.9
104.06255	1.4
105.07043	7.2
106.09269	1.1
107.08595	11.6
109.06505	1.8
109.10175	6.9
111.08060	1.8
111.11680	1.0
115.05468	2.4
117.07020	13.5
119.08588	100.0
121.10151	5.6
123.11691	1.1
125.00008	6.6
125.09633	7.4
128.06252	1.9
129.07013	5.3
131.08572	6.6
133.06505	3.4
133.10129	5.1
135.08057	9.3
135.11687	2.9
137.09602	1.3
141.06982	1.2
143.08586	3.1
144.05670	1.8
145.10127	8.5
147.08049	20.0
147.11684	3.3
149.09575	1.2
149.13239	2.0
153.09047	1.3
154.07787	1.2
155.08578	2.1
157.10144	11.2
159.08061	37.6
159.11685	2.1
161.09666	3.0
169.10118	6.9
171.11740	2.2
173.09641	10.9
173.13184	1.0
175.07574	1.5
183.11673	2.1
184.07353	29.8
185.09706	2.0
185.52985	0.9
187.11311	1.4
189.11191	5.9
197.13321	1.7
207.11617	1.4
211.14880	1.7
225.16406	3.3
227.12791	7.8
229.14378	1.6
235.14848	1.9
243.17592	2.4
245.13829	1.5
253.15926	4.0
258.47986	0.9
259.20734	1.8
261.22128	2.1
271.16946	17.1
289.18002	24.8
313.27347	2.3
333.24356	1.2
335.25809	38.1
336.26154	1.6
343.28772	1.1
345.20642	3.7
363.21710	21.6
379.29782	2.2
507.40576	1.4
605.41705	1.9
623.43079	51.5
624.43024	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	820.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.2
57.06697	1.1
57.07065	2.2
60.08174	2.1
64.60403	0.9
65.03938	1.6
65.06778	1.0
67.05509	25.1
69.03436	1.2
69.07074	6.8
70.06040	4.6
71.04996	1.9
79.05496	23.1
81.07062	19.3
83.05001	2.2
83.08636	6.6
86.09709	9.2
91.05479	21.1
93.07042	19.9
95.04980	2.7
95.08617	15.5
97.06571	1.3
97.10175	8.8
98.98511	1.5
103.05496	1.2
104.10736	1.1
105.04556	1.4
105.07035	8.2
105.34447	1.0
107.08619	10.7
109.10181	7.7
111.08067	2.4
115.05470	2.3
117.07027	13.5
119.08591	100.0
120.08950	1.5
121.10186	5.6
123.08059	1.5
123.11727	2.1
125.00003	6.3
125.09635	7.4
129.07011	4.7
131.08575	5.8
133.06502	4.0
133.10136	3.3
135.08078	7.9
135.11703	3.4
141.06964	1.3
142.07747	1.0
143.08591	3.3
144.05736	1.3
145.06442	1.7
145.10149	10.6
147.08066	20.8
147.11653	2.0
149.09656	1.9
155.08562	1.7
157.10159	9.3
159.08075	36.0
159.11717	4.1
161.09631	3.1
169.10139	6.7
171.11688	1.2
171.47025	0.9
173.09631	10.4
173.13295	1.2
183.11731	2.7
184.07353	32.8
185.09625	1.4
189.11240	5.3
195.11655	1.6
197.13336	2.4
209.13277	1.5
212.88936	1.1
225.12854	1.1
225.16454	3.9
227.12790	8.5
229.14481	1.4
235.14833	1.6
253.15958	4.6
261.22018	1.8
271.16965	16.2
289.18015	27.5
310.66034	1.2
313.27408	2.1
323.22446	1.0
333.24664	1.3
335.25830	36.1
335.29865	2.1
336.26166	1.4
345.20679	2.6
363.21732	19.9
379.30045	2.4
459.27658	1.1
511.63824	1.2
623.43060	47.2
624.43396	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	820.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	8.3
60.08150	0.7
62.65871	0.5
64.87160	0.5
65.03925	0.8
67.05507	16.1
69.03418	0.7
69.07077	3.8
69.47839	4.2
71.04967	0.6
77.03912	0.6
79.05495	17.2
81.03408	1.1
81.07059	17.7
83.04948	1.6
83.08593	2.1
85.06538	2.9
86.09714	3.1
91.05484	28.3
91.41657	0.5
93.07047	22.4
94.45144	0.5
95.04990	2.7
95.08612	11.9
97.06489	2.1
97.10157	1.8
97.67608	0.5
98.21529	0.6
99.04451	3.1
99.08146	0.7
105.04516	0.6
105.07035	20.3
107.04943	3.9
107.08585	10.3
109.06512	4.7
109.10151	5.7
111.08061	1.0
115.05454	1.1
117.07028	11.0
119.08582	17.4
121.06491	1.6
121.10147	7.3
123.08051	2.5
123.11678	0.8
125.00005	1.5
125.09606	0.8
129.07025	2.7
131.08569	15.2
133.10139	10.9
135.08008	1.9
135.11688	4.7
137.09599	2.0
143.08537	2.1
145.10118	9.4
147.11707	4.3
149.09567	1.6
149.13301	0.9
151.11197	0.5
153.12766	1.1
157.10056	1.2
159.11703	5.7
161.13263	2.2
163.11052	0.5
169.10100	1.2
171.11702	1.0
173.13251	2.2
175.14836	0.7
177.12743	0.5
184.07330	9.2
185.13252	3.2
197.13229	0.6
201.16418	3.7
203.14308	2.1
209.15216	0.6
214.04912	0.6
219.17447	100.0
220.17850	2.1
229.19505	0.6
256.00397	0.6
257.19046	2.3
275.20062	13.8
276.20407	1.3
293.21268	0.8
349.23743	35.7
350.24176	1.1
445.80383	0.5
557.38507	0.7
623.43073	71.4
624.43201	4.7
821.47754	0.8
850.94977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05007	0.8
59.77879	0.7
65.03956	1.4
67.05511	2.9
69.03432	6.2
71.51304	0.9
79.05499	5.3
81.03404	1.9
81.07066	3.1
83.04986	100.0
84.05342	1.5
85.02909	0.9
85.06533	3.4
91.05483	7.7
93.03423	0.7
93.07061	5.2
93.21973	0.5
95.04975	5.6
95.08623	0.9
97.02906	2.3
97.06523	1.1
103.05473	1.4
105.07030	9.3
107.04955	3.4
107.08598	2.1
109.02908	1.4
109.06516	2.4
115.03931	1.6
115.05463	1.9
117.07027	5.8
119.04957	2.4
119.08578	3.6
121.02835	1.1
121.06505	5.8
123.04425	1.8
123.08044	1.8
128.06213	5.1
129.05417	0.7
129.07030	5.3
131.05026	0.8
131.08588	4.7
133.06497	3.3
135.04417	5.4
135.08084	2.3
137.05997	1.7
137.09647	1.1
141.06993	5.4
142.07780	3.1
143.08548	8.2
145.06494	4.1
145.10155	5.5
147.04375	2.0
147.08040	4.7
149.05986	1.6
153.05482	2.2
153.06979	2.1
154.07782	7.6
155.08560	5.7
156.09380	1.3
157.06529	1.9
157.10143	3.2
158.07310	1.7
159.08105	4.4
159.11732	2.7
161.06009	2.6
161.09607	2.7
163.03891	1.5
163.07520	0.8
165.05580	0.8
165.06915	1.1
167.08578	2.8
169.06436	1.1
169.10135	15.3
170.07291	0.7
171.08067	5.0
171.11682	2.1
172.08792	1.5
173.05991	1.7
173.09592	5.2
175.07509	1.6
175.11235	0.9
178.07681	0.6
179.08519	3.3
181.08676	1.0
182.07280	2.4
185.09641	5.0
187.07535	2.3
187.11177	5.1
189.09100	2.1
191.07045	0.9
195.06488	1.3
196.08881	0.6
197.09637	12.5
199.07590	1.5
199.11252	2.5
201.09081	3.1
203.10591	1.1
213.09154	2.1
215.10663	11.3
217.08611	2.1
225.09073	4.6
231.10136	1.8
233.11691	2.4
241.08479	0.8
243.10219	10.4
247.13257	0.9
257.11667	1.3
259.09708	0.7
261.11237	93.1
262.11603	3.5
275.12756	5.4
279.07913	0.7
293.13907	8.4
311.14874	0.6
341.13498	0.8
343.15399	16.1
361.16464	93.9
362.16882	5.1
363.17142	1.5
375.17822	0.8
567.37408	0.7
663.15564	0.7
777.91840	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05013	1.7
67.05502	2.3
69.03432	6.4
71.13481	1.5
79.05492	4.3
81.07057	3.0
82.01821	0.7
83.04989	100.0
84.05338	0.9
85.06561	2.6
91.05490	7.2
93.03330	0.7
93.07051	3.4
95.04968	6.0
95.08619	1.1
97.02923	2.1
97.06519	1.1
103.05463	1.2
105.07035	8.8
107.04966	3.2
107.08604	1.8
109.06542	2.3
111.04522	1.0
111.08115	0.8
115.03960	0.7
115.05479	2.9
117.07015	5.0
119.04971	1.9
119.08591	4.3
121.06509	5.1
123.04450	1.7
123.07983	1.6
128.06232	6.3
129.05502	0.9
129.07021	6.7
131.04941	1.2
131.08557	4.2
133.06538	3.0
135.04436	5.5
135.08060	3.4
137.05992	1.0
141.07016	6.2
142.07788	3.9
143.08583	9.4
145.06509	3.6
145.10135	4.0
147.04456	1.2
147.08084	3.9
149.06047	1.2
153.05550	2.0
153.07001	2.4
154.07802	5.7
155.06117	0.7
155.08595	4.5
155.28053	0.7
156.09370	0.9
157.06560	2.6
157.10114	5.1
158.07303	1.1
159.04430	0.9
159.08043	5.1
159.11703	2.0
161.06041	2.3
161.09657	1.9
163.03993	0.8
163.07581	1.8
165.07008	1.4
166.07721	1.4
167.08601	4.5
169.06454	1.0
169.10132	12.2
170.07315	0.8
171.08034	6.9
171.11772	1.2
172.08846	1.1
173.06056	1.9
173.09624	4.2
175.07578	1.6
175.11229	1.9
179.08623	1.8
181.08670	1.6
182.07333	2.5
183.08092	1.6
185.09631	8.0
187.07574	1.6
187.11153	5.2
189.09131	3.2
191.07179	0.8
195.06581	0.9
195.08113	2.6
197.09612	10.7
198.09888	0.7
199.07587	1.6
199.11275	1.9
201.09203	2.2
203.10719	1.5
213.09091	8.4
213.10652	0.8
215.10692	8.6
217.08690	1.8
223.07716	1.2
225.09224	2.6
227.10841	0.9
231.10114	3.3
233.11841	2.2
239.21957	0.9
241.08665	5.6
242.09154	0.8
243.10168	6.5
248.56493	0.7
259.09689	11.5
261.11246	80.0
262.11627	2.5
273.11383	2.0
275.12891	2.6
277.10870	1.5
291.12405	2.9
293.13916	6.8
310.79333	0.7
313.14859	0.9
323.12732	1.1
341.13876	15.2
343.15463	3.7
359.15054	2.1
361.16476	73.0
362.17010	2.6
409.18622	7.8
508.54593	0.8
523.58905	0.7
807.47473	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.5778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	7.8
57.07089	2.4
65.03956	1.9
67.05509	41.7
69.07071	10.0
70.99487	5.3
75.38421	2.1
79.05494	25.1
81.07064	40.9
83.08615	3.7
85.02919	2.9
86.09721	8.2
88.48698	2.0
91.05468	16.0
93.07042	27.3
95.08614	34.5
97.06545	2.1
105.07035	14.7
107.08577	16.9
109.10162	16.2
117.07037	5.5
119.08598	6.4
119.59062	2.1
121.10159	17.7
123.11758	4.5
125.00027	5.9
129.36612	2.1
131.08565	8.4
133.10141	10.2
135.11682	10.4
145.10114	6.5
147.11742	6.0
149.13278	8.7
159.11707	5.9
161.13292	6.2
163.14787	1.9
171.11708	2.9
173.13255	5.9
175.14873	4.7
184.07347	31.5
185.10326	2.0
187.14923	3.8
193.46228	2.2
241.19580	3.6
243.21170	5.7
259.20636	5.7
261.22119	21.1
267.62540	2.7
271.29733	2.0
333.24225	5.9
335.25818	100.0
336.26367	2.6
337.27368	9.1
521.43604	2.6
595.47131	15.0
613.48358	9.0
639.96259	2.0
687.67657	2.2
752.49231	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	815.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	4.9
58.24972	1.8
61.97030	1.7
65.03939	12.4
67.01862	3.4
67.05510	49.7
68.99780	6.1
69.03415	6.2
69.07072	20.3
69.73265	1.9
71.08644	4.1
71.52250	3.6
79.05490	13.4
81.03413	5.0
81.07064	31.8
83.04984	67.9
83.08629	11.5
85.02895	8.2
86.09709	5.1
91.05479	19.6
93.03411	3.0
93.07047	17.1
95.04973	37.6
95.08617	28.3
95.45790	1.8
97.02886	3.6
97.06523	3.8
97.10155	9.1
103.05476	4.0
105.04545	2.5
105.07047	15.3
107.04955	3.5
107.08595	7.8
109.02858	4.9
109.06540	5.3
109.10159	15.0
111.00798	7.5
111.04459	12.1
115.05457	8.0
116.06245	2.5
117.07001	11.0
119.04935	2.0
119.08585	11.6
121.02872	5.6
121.06468	5.0
121.10152	8.1
123.04407	3.0
123.08077	2.1
123.11720	4.9
124.99976	5.7
125.02338	2.5
125.05959	3.4
127.03936	13.9
128.06224	10.8
129.07005	21.8
131.04921	2.5
131.08580	11.2
133.06445	4.7
133.10097	4.6
135.11678	4.8
137.05946	2.4
137.13335	2.1
139.03911	59.6
141.05443	2.4
141.06982	9.7
142.07806	10.2
143.08566	11.8
145.06503	6.2
145.10100	8.9
147.08089	6.1
147.11606	3.1
151.03903	5.7
152.06238	6.8
153.05486	7.8
153.07007	12.8
153.09145	2.4
154.07799	4.6
155.08565	26.4
157.06488	7.0
157.10129	10.6
159.08043	6.8
161.05962	3.6
163.03860	3.3
163.07646	3.7
165.05589	4.5
165.06993	19.2
166.07759	7.2
167.07231	3.1
167.08551	20.2
168.05692	7.1
169.06485	4.5
169.10144	6.7
171.08057	9.3
173.06021	3.5
173.09602	10.0
175.04204	2.6
175.07570	49.1
179.08585	7.0
181.06499	4.2
181.08730	3.0
181.10066	12.6
182.07085	2.3
183.08055	50.0
184.07310	22.5
185.06052	3.6
185.07703	3.0
185.09607	10.7
187.07544	6.4
187.14777	2.3
190.07849	2.1
191.03410	4.9
191.08623	3.0
193.10158	3.5
194.07260	3.6
195.08089	22.3
195.09949	3.7
195.11769	2.9
197.09578	6.4
199.07523	7.9
199.11256	3.9
199.14870	2.9
201.05356	3.1
201.09157	16.6
207.08052	4.7
209.09586	14.4
209.11430	2.8
211.07556	16.0
211.11156	3.6
213.09135	23.3
215.10727	2.7
219.08034	6.1
221.09534	2.3
223.07552	9.4
223.11159	2.4
225.09132	4.1
227.07028	5.8
227.10661	6.2
229.08600	100.0
230.08948	3.7
233.09668	2.9
235.07544	4.8
237.09109	24.1
239.07147	5.9
241.08606	89.8
242.09041	3.1
247.09612	6.9
251.10623	3.4
253.08597	7.4
255.10167	8.8
263.07016	4.6
265.08560	13.3
265.12555	2.9
271.09656	2.3
279.09964	3.2
281.08304	4.9
283.09662	15.2
293.11804	2.8
301.10632	5.1
307.09619	4.3
308.08871	2.3
309.07550	7.5
309.10849	2.4
311.12515	2.3
321.11435	4.3
325.10764	4.1
327.08633	5.7
339.12161	4.2
349.10745	6.7
361.30963	4.9
367.11826	19.6
385.12732	8.7
390.08734	2.4
403.31619	3.6
415.31921	7.6
421.33154	9.1
433.33331	10.8
467.16870	4.0
485.18219	10.6
526.80182	2.4
613.38550	4.1
615.39862	3.6
625.38568	5.8
633.41522	2.8
643.39673	17.7
644.39453	3.0
659.40161	2.6
661.40948	64.8
662.40698	2.9
679.42126	39.0
683.50226	2.3
697.42700	6.8
701.50922	3.6
743.44763	3.9
761.46350	26.1
779.47333	69.9
780.46710	4.3
781.40991	2.2
797.48346	29.4
798.48846	3.0
815.46045	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	814.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	14.1
57.07067	1.7
58.06600	4.0
61.02912	6.4
65.03939	3.7
67.05512	65.8
68.05002	2.6
69.03421	3.8
69.07073	18.6
70.06600	17.0
71.04990	5.5
71.51351	2.7
71.52029	1.8
73.02924	2.1
77.03918	1.7
79.05498	47.5
80.05009	4.2
81.03422	61.8
81.06602	3.3
81.07064	59.9
82.06568	5.0
83.04994	7.8
83.08624	18.6
84.04523	2.7
84.08145	3.0
85.02908	7.8
86.09702	2.4
88.07683	1.9
90.05560	24.6
91.03925	2.6
91.05479	27.8
93.06482	2.8
93.07049	45.0
94.06554	5.0
95.04453	2.2
95.04984	23.4
95.08614	40.6
96.08160	2.6
97.02873	5.9
97.06526	3.1
97.10166	4.1
98.06044	4.1
99.08086	2.0
100.07599	1.9
101.92253	1.6
105.06390	2.6
105.07046	22.2
107.04967	7.8
107.08613	25.7
109.06534	4.0
109.10157	16.3
111.08090	7.3
115.05477	2.1
117.07021	5.7
119.08586	19.2
121.06528	4.0
121.10159	25.7
121.82906	1.6
123.08066	4.1
123.11677	4.6
125.09612	2.8
129.07008	8.8
131.08606	15.7
133.06493	2.6
133.10143	12.1
135.08020	2.0
135.11713	10.8
137.09586	2.0
137.13252	2.0
138.12842	2.0
142.07823	2.2
144.06540	2.4
145.10130	7.0
147.08087	2.6
147.11694	11.0
148.11124	1.6
149.09669	7.7
149.13255	5.0
157.10118	7.3
157.89920	1.6
159.11696	5.6
161.13289	3.9
163.14844	2.6
164.14372	6.8
166.12370	1.9
167.10664	2.9
173.13315	3.3
175.11230	6.5
181.04947	2.3
182.15414	5.2
184.07364	6.5
189.11157	2.0
192.13809	7.5
193.12279	18.5
210.14915	81.7
211.15187	2.6
212.16481	2.5
218.15344	2.5
227.12732	3.7
228.15976	25.0
236.16434	8.7
238.14331	3.7
243.21054	6.7
249.14850	2.4
254.17487	15.5
256.15570	1.7
259.20740	1.7
261.22150	19.9
267.15924	96.4
268.16595	2.8
284.18527	4.4
301.25391	2.5
302.19699	9.6
312.18076	5.7
317.24789	3.4
330.19223	5.8
335.25827	100.0
336.26077	3.9
348.20178	3.5
356.20663	6.2
369.91379	1.7
374.21780	2.2
435.32391	3.0
453.33658	5.1
527.37378	44.2
545.38324	19.5
562.41040	12.1
572.39056	4.0
588.42316	6.3
590.25262	1.9
590.40637	12.4
608.41687	27.6
616.41693	5.4
634.43231	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	813.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37182	1.5
69.20904	17.1
81.31146	1.5
83.35921	1.4
86.09696	1.9
93.06976	1.9
95.04987	2.2
151.05350	1.5
184.07368	5.3
397.66092	1.6
443.50711	1.9
453.56024	1.8
527.29688	1.6
535.26733	2.1
776.35754	1.9
813.49139	100.0
814.49084	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	813.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.2
59.85534	0.5
60.08161	0.6
61.02641	0.7
61.02932	7.0
65.03936	0.6
67.05508	6.1
69.03438	3.3
69.07069	1.5
70.68818	1.0
71.05003	0.9
73.02924	4.6
79.05499	5.1
81.03433	1.9
81.07070	5.2
82.07392	0.4
83.08638	1.2
85.02914	6.4
86.09716	3.5
87.04442	0.6
87.58937	0.4
91.03957	4.3
91.05478	3.8
93.07050	5.9
95.04996	0.8
95.08622	3.9
97.02908	4.8
97.06525	0.5
97.10187	0.6
99.04475	0.9
101.02406	2.9
105.04549	0.5
105.07059	2.5
107.08616	3.2
109.02895	1.3
109.10194	1.3
114.16194	0.5
117.07043	1.0
119.08598	2.6
121.10142	2.5
125.00006	1.8
127.03963	1.5
129.05508	0.5
131.08578	1.4
133.10210	1.5
135.11739	1.4
145.10179	1.2
147.11757	1.1
156.81268	0.5
157.10110	0.5
159.11765	0.8
184.07362	10.1
185.04256	1.3
185.07719	1.0
185.38123	0.4
212.59865	0.4
243.08382	3.4
301.08844	1.0
315.10428	0.5
317.21072	0.5
335.25961	1.0
373.11032	0.5
519.29254	9.9
535.28754	4.8
591.31573	0.5
641.43500	1.3
813.51263	100.0
814.51563	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	814.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78508	0.9
57.03440	12.0
57.07057	1.4
58.06587	1.8
58.25560	1.2
61.02931	6.6
65.03937	1.9
67.05507	49.3
69.03425	4.4
69.07067	12.6
70.06580	10.3
70.19476	1.4
70.19855	1.9
71.04992	6.3
71.05318	1.0
72.08150	1.2
73.02928	1.6
74.37299	0.9
78.37965	0.8
79.05495	42.6
80.05012	4.6
80.53580	1.1
81.03420	60.3
81.07058	48.4
82.06583	3.1
83.04989	6.8
83.08618	13.8
84.04511	1.2
84.08140	2.3
85.02923	5.5
85.06580	2.5
86.09710	1.6
90.05555	30.2
91.05482	28.5
91.06025	2.1
93.07043	38.3
93.07644	1.9
94.06558	4.8
95.04973	19.7
95.08613	32.3
96.04506	1.1
96.08125	1.6
97.02890	5.9
97.06530	5.0
97.10168	4.2
98.06050	3.5
99.08083	1.5
105.04520	2.0
105.07035	20.6
106.17247	1.1
107.04953	4.3
107.08594	21.0
108.08117	3.2
109.06516	3.6
109.10165	13.2
110.09668	1.2
111.04457	2.0
111.08075	4.4
113.43639	1.2
116.07203	1.1
117.07063	5.5
119.08579	16.4
121.06493	2.1
121.10153	22.4
123.04427	1.9
123.08072	2.8
123.11693	5.5
125.09612	3.1
128.07088	1.5
129.07018	7.8
130.08635	1.3
131.08565	13.1
132.06548	1.2
133.06546	2.2
133.10127	10.3
135.08063	1.4
135.11668	6.7
137.09641	1.6
138.12778	1.7
140.07036	1.0
142.07756	1.4
143.08522	2.0
144.06557	3.4
145.10110	6.6
147.08023	2.9
147.11687	10.5
149.09627	9.5
149.13237	5.2
152.07019	2.1
157.10100	8.3
159.11700	4.5
161.13266	3.7
163.11153	1.3
163.14793	2.4
163.95198	1.3
164.14346	3.9
165.12811	1.3
166.12341	1.6
167.10629	1.6
173.13263	3.4
175.11185	4.7
175.14854	1.4
177.16435	1.3
180.87173	1.0
182.15468	2.7
184.07372	3.0
187.14838	2.2
189.11226	2.8
192.13860	6.3
193.12253	19.4
208.16978	2.6
210.14899	68.2
211.13165	1.9
211.15236	1.2
212.16551	2.1
218.15352	3.0
226.17975	1.6
227.12796	3.4
228.15950	13.0
233.22577	1.2
236.16463	7.8
238.14384	3.5
243.21138	6.0
249.14784	1.4
254.17508	12.6
256.15375	1.2
261.22153	13.5
267.15930	100.0
268.16196	2.6
269.21371	1.1
282.17020	3.9
284.18552	4.1
301.25220	1.9
302.19717	5.1
312.17978	5.0
317.24704	2.6
330.19089	3.2
334.21799	1.2
335.25803	81.9
336.26144	1.6
353.26804	1.3
356.20746	7.5
435.32526	2.4
443.78394	1.0
453.33398	4.0
471.34976	2.0
527.37323	39.0
528.37732	3.0
545.38367	16.3
562.41040	6.1
569.38531	1.5
572.39313	2.4
588.42426	3.7
590.40436	12.3
608.41711	19.8
609.41675	1.2
616.41998	6.5
634.43176	21.1
710.48914	1.1
752.44501	1.3
796.47729	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	810.5282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06643	0.5
59.07378	0.1
60.08169	6.7
67.05515	0.3
69.07066	0.2
70.06631	0.1
70.96231	0.3
71.07382	3.9
75.43408	0.1
79.05501	0.3
80.28039	0.1
80.61769	0.1
81.07080	0.2
86.09714	32.5
87.10017	0.3
91.05485	0.2
93.07059	0.3
95.05042	0.1
95.08626	0.3
98.98474	4.0
100.07911	0.1
104.10758	2.8
105.07043	0.3
107.08633	0.2
109.10186	0.1
110.66624	0.1
119.08577	0.2
125.00018	22.6
127.11179	0.2
143.01080	0.2
172.15791	0.1
184.07356	100.0
185.07675	1.3
186.07742	0.1
190.96350	0.1
266.19992	0.1
286.99426	0.1
447.30350	0.1
672.41882	0.2
712.45465	0.2
752.47046	0.1
792.51038	0.5
810.53064	1.7
814.58978	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	811.445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.1
59.05004	1.0
61.02936	4.4
67.05502	5.7
69.03442	3.8
69.07084	2.4
71.01371	1.0
71.04992	1.7
71.50675	0.7
73.02912	4.2
79.05496	5.7
81.03419	5.0
81.07064	6.1
82.07397	0.7
83.04993	1.3
83.08625	1.7
85.02911	6.0
91.03972	2.6
91.05486	5.4
93.07059	4.1
95.05005	2.5
95.08633	2.8
97.02890	5.3
97.06560	1.4
97.10194	0.8
101.02386	1.6
103.00491	0.7
105.07040	4.2
107.08613	2.7
109.06529	0.9
109.10179	1.4
111.08137	0.7
115.05453	0.8
117.07070	0.8
119.08637	2.0
121.10187	2.6
123.08089	0.8
127.03956	1.2
129.07065	1.6
131.08597	2.2
133.10179	2.4
135.11676	0.8
137.06024	0.8
145.10167	1.2
147.11752	1.7
149.09671	1.8
157.10217	0.9
174.57967	0.7
179.50288	0.7
193.12265	1.1
224.61345	0.6
241.07182	0.7
243.08426	3.6
267.16162	0.7
283.15152	4.0
333.20444	2.2
339.17859	1.4
348.66534	0.7
453.21109	1.0
469.20709	0.9
501.23117	12.2
551.28418	7.0
770.19177	1.1
791.11414	0.9
811.44568	100.0
812.44867	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	810.5283
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06614	0.4
60.08167	6.2
67.05495	0.5
69.07076	0.2
69.15882	0.3
69.16287	1.5
70.06586	0.1
71.06988	0.2
71.07381	4.4
79.05496	0.3
81.07042	0.3
86.09711	32.3
87.10064	0.2
91.05485	0.2
98.98472	4.3
104.10751	3.5
105.07049	0.3
107.08587	0.2
109.10130	0.2
118.86227	0.2
125.00014	20.9
130.77734	0.2
144.34496	0.2
166.02611	0.2
184.07350	100.0
185.07718	1.0
212.37825	0.1
270.11856	0.1
380.29361	0.2
792.51770	1.6
793.51740	0.2
810.54083	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	6.4
57.06503	3.0
58.06596	2.4
61.02942	4.7
62.76060	2.6
64.48268	2.4
67.05517	37.1
68.43580	2.3
69.07064	11.7
73.92371	2.7
79.05498	22.8
80.99499	2.7
81.07063	41.1
83.08623	4.2
85.02908	5.5
91.05483	17.2
93.07052	27.3
95.08620	28.8
97.02903	4.3
105.07036	10.1
107.08631	16.3
108.54227	2.4
109.10146	9.2
117.07050	3.1
119.08594	8.1
121.10155	15.0
123.08111	3.0
123.11694	5.8
125.49971	2.6
129.07030	3.1
131.08618	3.5
133.10109	9.0
135.11700	10.6
141.77733	2.4
145.10100	5.5
146.76161	2.9
147.11702	6.5
149.13283	6.5
156.81961	3.1
159.11678	8.2
161.13245	5.3
163.14888	3.6
173.13254	4.9
184.07332	7.2
211.62228	3.1
243.21147	9.2
259.20508	5.0
261.22116	20.4
335.25830	100.0
337.27377	4.1
399.31171	3.0
454.40973	3.3
463.47845	2.6
595.47449	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	808.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	11.8
57.07071	6.0
67.05185	6.9
67.05510	88.8
69.07059	20.6
71.12302	9.1
79.05077	7.6
79.05496	82.4
81.07056	100.0
83.08605	11.6
91.05489	88.8
93.06487	6.2
93.07047	88.3
95.04975	5.3
95.08606	73.2
97.06506	5.4
103.05437	5.0
105.07036	80.0
107.08589	39.6
109.10182	28.7
117.07042	27.7
119.08588	58.1
121.10149	31.1
123.11732	6.5
129.07010	7.0
131.08572	38.8
133.10129	58.8
135.08049	5.0
135.11676	24.9
143.08562	12.8
145.10150	26.9
147.11687	43.5
149.13286	17.6
157.10135	11.6
159.11710	32.1
161.13252	25.9
163.11162	4.8
171.11690	21.1
173.13274	18.0
175.14803	8.3
185.13251	14.2
187.14896	7.6
199.14772	6.1
231.21089	9.2
241.19550	22.6
257.19064	7.4
259.20581	57.8
261.22180	13.8
299.22906	4.3
315.22961	6.1
333.24228	45.4
335.25778	90.7
586.28076	5.6
593.45306	10.3
611.46631	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	808.5568
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83390	1.1
57.03201	1.5
57.03448	20.8
57.07092	2.4
61.02922	4.6
65.03938	4.0
66.04675	1.3
66.23763	1.5
67.05507	88.1
69.03431	2.6
69.07065	21.8
70.95665	3.1
71.04984	3.8
73.02930	1.5
77.03913	1.3
79.05496	61.6
81.03429	2.6
81.07056	84.5
83.04993	6.0
83.08619	11.4
85.02884	2.5
85.06534	3.0
86.09702	1.7
87.43475	1.1
91.03960	1.5
91.05484	50.2
91.08824	1.3
93.07046	72.5
95.04958	5.7
95.08609	59.9
97.02885	4.9
97.06548	6.8
97.10162	7.0
99.08082	2.0
103.05448	1.3
105.04422	2.3
105.07031	41.7
107.04897	1.3
107.07877	2.2
107.08597	36.7
109.06516	3.4
109.10163	23.4
111.08102	1.8
115.05460	1.6
117.07005	12.9
119.08588	32.0
121.10138	30.3
123.08092	2.3
123.11701	7.7
125.09593	2.9
127.03902	1.8
129.07014	5.0
131.08571	20.6
133.10144	26.7
135.11700	21.1
137.09692	2.4
137.13326	1.5
143.08592	7.4
145.10120	17.1
147.11685	18.2
149.09628	1.4
149.13283	9.0
151.11229	1.5
157.10098	5.4
159.11707	14.5
161.13257	11.3
163.11169	1.5
163.14809	1.7
171.11690	5.6
173.13271	7.9
175.14801	4.9
179.14365	2.2
183.11647	1.5
184.07378	3.9
185.13194	6.7
187.14787	7.4
189.16408	1.5
199.14848	2.2
201.16351	2.3
205.15909	4.2
219.17430	2.4
221.18941	1.4
231.21156	2.2
241.19470	9.1
243.21036	2.7
257.18958	1.7
259.20560	19.0
261.22083	7.7
277.21680	11.4
293.21014	1.5
310.68353	1.4
311.76837	1.3
317.24719	1.3
333.24164	15.0
335.25815	100.0
336.25992	2.1
337.27319	2.2
351.25290	28.7
489.35672	2.0
529.38385	1.3
536.17859	1.4
576.90906	1.4
593.46057	2.8
611.46771	29.6
612.46112	2.1
630.21771	1.3
672.43347	1.5
677.16022	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	0.7
57.03448	0.5
57.07101	0.1
58.06364	0.2
58.06638	0.4
60.08169	6.1
61.02931	0.6
65.03938	0.2
67.05511	1.7
68.05849	0.2
69.03432	0.3
69.07062	0.6
69.54269	0.1
70.06601	0.2
71.04998	0.3
71.07377	3.6
71.51914	0.2
73.02929	0.2
79.05505	1.7
80.05844	0.2
81.03411	0.4
81.07066	2.3
82.07385	0.3
83.04939	0.2
83.08617	0.4
85.02911	0.3
86.09711	31.9
87.10049	0.2
91.03968	0.2
91.05490	1.3
92.05800	0.2
93.07050	1.4
94.07368	0.2
95.04980	0.4
95.08624	1.1
95.50993	0.2
96.08884	0.2
97.02871	0.4
97.06487	0.2
97.10160	0.1
98.98470	4.1
99.08103	0.3
104.10751	2.7
105.07050	0.8
107.04963	0.2
107.08599	0.8
108.08937	0.1
109.06521	1.1
109.10144	0.4
110.06869	0.2
117.07022	0.4
119.08570	0.5
121.06544	0.1
121.10170	0.5
123.08080	0.1
123.11679	0.1
124.08541	0.1
125.00013	21.7
128.97205	0.2
129.07028	0.2
131.08574	0.6
133.10139	0.4
135.08093	0.3
135.11736	0.2
136.08418	0.2
143.01056	0.2
143.08574	0.1
145.06474	0.2
145.10130	0.4
145.28775	0.1
147.08035	0.2
147.11702	0.3
149.09566	0.2
159.08083	0.2
159.11745	0.3
161.09647	0.4
163.11234	0.2
173.09610	0.2
175.11136	0.1
184.07352	100.0
185.07716	1.0
199.11029	0.1
262.22662	0.2
273.18506	1.0
274.18784	0.6
275.20129	0.3
276.20224	0.2
279.15891	0.1
291.19492	0.3
325.51248	0.1
335.25787	0.9
336.26093	0.8
347.22122	0.3
348.22232	0.2
389.88809	0.1
496.33832	0.2
608.43097	0.2
626.44983	0.7
650.44159	0.8
651.44360	0.1
690.47272	1.2
730.49878	0.2
733.13434	0.2
752.51788	0.2
770.53864	1.0
788.54602	1.3
806.55554	2.0
807.42554	0.2
807.55859	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	805.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	15.8
57.07066	2.0
60.08150	6.7
65.03931	4.2
67.05508	64.4
67.19302	2.0
68.47305	2.0
69.03426	6.2
69.07062	18.1
69.32217	4.4
69.32621	14.8
71.04962	4.2
79.05067	3.4
79.05500	48.5
80.05823	2.5
81.03420	5.6
81.06596	3.3
81.07056	56.0
83.04982	6.9
83.08589	6.6
85.06530	9.9
86.09712	25.5
87.10031	2.5
89.06034	2.8
91.05479	38.3
93.07042	38.1
95.04971	47.2
95.08607	27.5
96.22115	2.2
97.02917	2.0
97.06516	7.3
97.10184	5.5
98.20802	4.0
98.98444	3.9
103.05457	2.4
105.07050	23.9
107.04951	6.5
107.08612	23.6
109.05817	3.7
109.06527	59.4
109.10147	11.3
111.04449	2.8
111.08028	1.9
113.06010	24.3
116.28111	2.0
117.07027	11.8
119.08585	19.0
119.44386	2.1
121.06524	5.2
121.10134	10.7
123.08067	6.1
123.11668	3.8
125.00014	18.1
127.07431	2.0
129.07014	5.6
131.08586	22.4
133.06519	4.4
133.10202	11.6
135.08058	39.3
135.11685	9.5
143.08572	7.7
145.10161	16.2
147.08052	8.7
147.11673	6.7
149.09616	5.8
149.13228	4.9
153.09106	2.9
155.08521	3.3
157.10127	6.3
159.11658	11.2
161.09573	6.1
161.13257	2.6
163.11096	2.9
169.10144	3.6
171.11714	4.4
173.13316	4.4
175.11133	4.0
184.07347	68.2
185.07668	9.1
185.13188	2.6
187.11179	2.3
199.14877	3.7
217.15866	8.9
218.62236	2.2
219.17581	2.4
255.17310	2.8
259.20670	2.5
261.21991	2.4
271.79672	2.1
273.18506	35.8
275.20090	3.9
291.19543	100.0
292.19901	3.6
310.13635	2.0
332.15051	2.2
335.21976	3.9
335.25803	44.3
336.26056	2.6
347.22079	12.6
365.23062	12.8
394.34518	2.1
579.38794	5.2
607.43207	13.0
625.44543	49.4
626.44800	5.1
805.51691	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	806.489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	21.3
57.33897	3.0
65.03962	4.8
67.05183	6.1
67.05513	76.0
69.03443	10.1
69.07080	31.1
71.01345	3.3
71.04990	12.2
71.24651	4.2
79.05067	5.9
79.05500	67.3
81.03426	98.8
81.07064	81.4
83.04996	22.2
83.08623	31.8
85.02903	5.1
85.06557	3.6
86.09731	3.0
91.05492	58.4
91.06023	4.6
93.06485	5.6
93.07053	59.9
95.04977	42.1
95.08613	30.3
97.02925	7.4
97.06549	19.3
97.10185	19.3
99.08113	7.7
105.07043	58.6
107.04972	17.6
107.08608	47.8
109.06532	11.3
109.10176	23.8
111.04456	4.1
111.08118	8.9
114.03162	3.9
115.05487	3.5
117.07029	24.7
119.08608	35.0
121.03751	2.8
121.06524	10.7
121.10172	23.5
123.08092	5.6
123.11729	4.4
125.09638	19.1
127.03864	3.3
128.06239	5.8
129.07005	14.0
131.08565	29.2
133.06496	7.3
133.10144	26.4
135.08080	7.9
135.11676	15.6
137.06026	4.7
137.09656	4.6
141.06941	5.1
142.07777	3.5
143.08591	12.4
145.06598	6.4
145.10117	22.7
147.08061	7.9
147.11725	23.4
149.09634	16.7
149.13246	8.5
151.11229	5.2
155.08571	4.0
157.10120	17.3
159.08060	7.9
159.11722	9.2
161.09587	4.8
163.11203	12.6
169.10153	3.8
171.11671	4.7
173.09714	3.7
173.13213	4.8
175.11201	10.5
177.12927	3.2
183.11703	7.1
184.07338	6.2
185.13248	4.6
189.11232	9.9
193.12300	25.7
197.13316	4.7
227.12730	22.2
229.14291	7.2
249.15027	4.5
255.15961	11.9
257.19034	8.6
259.09634	3.5
267.15939	100.0
269.17508	19.7
275.20013	28.6
276.94156	3.8
291.19345	7.9
293.21109	3.4
349.23816	29.5
367.24530	3.8
369.24304	5.8
421.25940	6.3
443.28052	6.9
447.27386	24.3
449.30249	3.8
459.27438	4.5
461.29013	58.5
462.30026	4.3
467.31793	6.8
493.31766	14.8
501.32098	11.0
541.35297	65.9
542.35254	5.0
559.36658	22.0
591.37408	4.6
602.59149	4.1
684.53363	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	804.5391
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	1.0
57.07059	0.4
58.06602	0.4
60.07885	0.4
60.08172	6.7
60.16844	0.3
67.05510	0.9
70.06564	0.3
71.07374	4.1
71.51518	0.4
79.05498	0.5
81.07069	0.7
83.04958	0.3
86.09714	35.8
87.10055	0.3
89.06042	0.2
91.05491	0.5
93.07089	0.5
95.08617	0.4
98.98476	5.3
103.21893	0.2
104.10752	3.0
125.00018	25.3
137.05949	0.5
179.83394	0.3
184.07356	100.0
185.07738	1.4
261.67966	0.2
298.23636	0.3
403.68997	0.3
546.75867	0.3
592.10156	0.3
624.45880	0.4
695.23694	0.3
772.50677	0.7
804.53833	8.2
805.53516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	36.5
57.07076	3.0
60.08162	2.8
61.02934	18.1
65.03938	5.9
67.05508	80.6
69.03439	12.5
69.07072	19.4
69.82055	2.8
69.82468	5.9
71.04999	10.7
73.02920	8.1
79.05138	2.0
79.05497	74.7
81.03419	10.5
81.07062	100.0
83.04991	9.4
83.08627	8.1
85.02917	19.3
85.06550	4.9
86.09707	14.8
91.03963	7.5
91.05486	57.7
93.07050	68.9
95.01324	2.3
95.04980	19.9
95.08612	50.5
97.02899	18.4
97.06541	12.8
97.10162	5.1
99.04457	2.4
99.08098	53.5
101.02381	2.2
101.05984	2.0
103.05473	4.1
105.04519	3.5
105.07036	38.6
107.04958	25.0
107.08601	33.6
109.02867	3.3
109.06522	49.4
109.10162	21.4
111.08098	6.4
113.05982	2.3
115.05453	4.1
117.07018	24.0
119.08579	27.2
121.05799	1.9
121.06467	10.3
121.10145	24.1
123.04498	1.9
123.08087	9.0
123.11694	5.2
125.00005	9.8
125.09693	2.5
127.03929	3.5
127.07580	22.1
128.06232	4.9
129.07039	10.7
131.08574	25.9
133.06496	4.9
133.10138	20.4
135.08052	17.9
135.11723	13.0
137.09644	5.3
141.07037	4.0
142.07767	3.0
143.08585	11.8
145.06546	4.1
145.10129	19.1
147.08049	11.7
147.11679	11.7
149.06007	2.3
149.09651	12.3
149.13257	7.4
151.11208	3.7
155.08638	4.2
157.10101	12.1
159.08063	10.7
159.11699	13.9
161.09659	13.7
161.13327	6.9
163.11185	9.2
165.09103	2.5
169.10184	4.5
171.07953	2.1
171.11710	9.3
173.09674	5.6
173.13277	8.1
175.11195	11.1
177.09116	2.0
177.12796	2.9
179.10744	5.3
179.14313	2.3
183.11720	4.8
184.07359	43.7
185.07796	2.4
185.13235	4.1
187.11238	3.8
189.12773	3.9
191.14297	2.6
195.11777	3.1
199.11183	2.6
199.14903	4.3
201.12801	4.7
203.14368	3.7
207.13725	2.1
207.40816	2.2
211.14864	2.4
217.15919	11.6
219.13831	3.5
221.15353	5.9
227.18069	2.6
243.20963	3.3
245.19249	3.8
245.98781	1.9
255.17447	9.4
257.18991	2.0
259.20566	4.7
261.22168	4.2
271.17020	1.8
273.15482	3.6
273.18509	77.3
274.18777	1.9
275.20148	9.4
279.16010	3.5
291.19565	33.0
329.21146	4.1
333.24243	3.6
335.25848	81.2
336.26273	2.7
347.22165	23.8
349.23682	3.8
365.23251	18.3
414.80884	1.9
529.38721	2.2
579.38397	3.8
607.43835	9.9
625.34558	2.5
625.44611	34.8
643.45691	35.1
733.47266	2.3
805.50671	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	805.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03196	1.5
57.03445	18.5
57.07083	2.6
59.05003	1.2
60.08170	6.6
60.29204	1.3
61.02938	16.9
65.03936	3.5
67.05510	62.2
69.03429	12.4
69.07076	15.6
70.32743	4.5
71.01360	1.3
71.04988	5.7
71.07370	3.7
73.02930	8.3
75.32536	1.1
76.84563	1.3
77.03944	1.5
79.05498	53.4
79.05969	2.6
81.03423	12.0
81.07060	69.4
82.07388	1.5
83.04982	4.0
83.08638	7.0
85.02911	13.4
85.06534	4.1
86.09711	32.0
91.03952	9.1
91.05483	44.6
93.07050	51.5
93.07642	2.8
95.01341	2.0
95.04981	16.2
95.08614	42.5
97.02898	13.1
97.06497	6.4
97.10182	4.0
98.98437	2.9
99.08102	6.4
104.10754	2.8
105.04544	3.2
105.07035	27.0
107.04976	13.3
107.08597	23.0
109.06520	56.3
109.10169	16.8
111.08095	2.6
112.37090	1.4
113.06053	1.4
115.05447	3.0
117.07021	17.8
119.08589	22.1
119.65229	1.5
121.06509	7.5
121.10149	17.7
123.04479	1.7
123.08062	5.9
123.11715	2.5
125.00021	21.8
125.09615	1.9
127.03925	2.8
127.07570	3.2
128.06250	7.0
129.06995	8.5
131.08571	20.6
133.06496	4.2
133.10141	15.9
135.08070	24.2
135.11703	11.8
137.09622	3.2
141.06979	3.3
142.07738	1.8
143.08549	10.9
145.06490	4.3
145.10123	16.0
147.08075	9.0
147.11688	9.2
147.12657	1.4
149.05981	2.7
149.09615	6.2
149.13292	6.4
155.08592	3.3
156.92928	1.5
157.10129	8.6
159.08066	9.8
159.11696	11.6
161.09628	17.1
161.13271	4.4
163.11176	6.5
163.14719	1.4
169.10110	2.5
171.07938	1.6
171.11676	3.3
173.09663	3.2
173.11858	1.5
173.13254	3.7
175.11208	6.8
175.14771	2.9
177.12720	5.1
177.91928	1.1
181.10220	2.5
183.11687	4.4
184.07352	100.0
185.09605	2.7
185.13222	3.5
187.11226	3.2
187.81325	1.4
189.12784	1.5
191.10603	1.5
193.12244	1.9
195.11595	2.0
199.11098	3.7
199.14960	2.7
201.12619	1.8
201.58507	1.4
203.14333	2.0
213.12746	1.6
217.15883	7.9
221.15408	4.5
227.18074	3.1
237.16383	1.7
241.19490	1.9
245.19046	3.3
255.17467	6.0
257.19089	2.6
259.20642	8.1
261.22192	4.1
267.16119	1.4
271.16898	2.2
273.18515	71.9
274.18930	2.8
275.20108	14.6
277.21692	3.3
279.15906	3.0
291.19601	6.8
303.19717	1.8
311.20181	2.0
329.21143	6.6
331.22699	2.1
333.24200	5.0
335.25821	62.5
336.26089	3.8
347.22195	32.7
349.23596	8.5
365.23331	6.0
515.38495	1.7
533.40137	2.8
569.42200	1.7
579.38562	2.0
607.43561	9.9
625.44598	30.3
626.44800	3.0
643.45508	2.0
733.46429	1.9
751.47064	1.9
806.54596	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	804.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93915	1.1
57.03440	2.7
59.80598	1.1
65.03933	2.4
67.01862	2.3
67.05510	12.5
69.03428	4.7
69.07065	5.1
71.04972	1.6
71.51478	1.5
72.81837	1.1
79.05496	15.9
81.03423	10.4
81.07048	10.3
83.04984	100.0
83.08635	2.8
84.05310	1.6
85.02889	2.1
91.05490	20.0
93.07043	12.4
95.04976	22.5
95.08612	6.0
97.02905	3.7
97.06531	3.3
97.10163	2.7
103.05473	2.0
105.07044	11.5
107.04958	6.9
107.08602	6.5
109.06512	3.8
109.10144	4.2
111.04465	2.5
111.08141	1.1
115.05467	4.2
116.06260	1.3
117.07027	7.9
119.04945	3.1
119.08607	6.7
121.06484	7.3
121.10134	2.8
122.07336	1.9
123.04430	2.3
123.08036	1.6
125.09629	1.7
127.79221	1.2
128.06215	7.9
129.07010	13.4
131.04953	2.1
131.08554	7.5
133.06502	3.6
133.10138	3.2
135.04408	3.6
135.08072	6.2
135.11708	1.5
137.05969	2.3
137.09604	2.1
141.06996	6.1
142.07788	12.7
143.04906	1.3
143.08542	6.4
145.06476	4.4
145.10121	4.5
147.04424	4.8
147.08069	3.5
147.11702	1.7
149.05972	1.9
149.09621	1.8
152.06204	2.8
153.07016	3.8
154.07793	5.0
155.08580	5.0
157.06502	2.4
157.10149	10.5
158.07281	2.0
159.04414	6.7
159.08041	4.4
159.11746	2.5
161.05894	1.6
161.09605	3.3
163.03993	1.4
163.07594	1.4
163.11209	2.9
165.05598	1.5
165.07010	3.2
166.07776	1.8
167.08585	7.8
169.06581	2.7
169.10130	6.3
170.07283	4.9
171.08096	6.9
171.11629	2.2
173.09619	2.2
175.11189	5.9
179.08582	1.4
181.06491	1.9
182.07257	1.6
183.08073	3.7
184.07388	1.5
185.09630	14.5
186.13289	1.2
187.07565	3.7
195.07996	5.6
195.11763	1.3
197.06026	1.7
197.09685	5.6
198.06828	2.5
199.07538	4.5
199.11211	1.6
201.09212	2.4
213.09125	23.3
215.07083	2.3
215.10599	2.4
217.08694	1.8
223.07602	1.8
225.09149	4.2
227.12804	2.4
229.08720	1.5
231.10280	2.8
241.08609	12.0
243.10233	7.7
245.11809	1.8
257.08182	2.1
259.09674	42.6
261.11255	5.7
267.16055	6.0
273.18433	2.1
275.12762	1.4
275.20050	3.2
276.20248	1.4
277.14401	1.6
277.21274	1.4
283.15158	1.5
291.19397	6.3
295.13263	2.0
297.10959	1.2
313.14374	4.1
323.12546	1.7
341.13840	53.9
343.15485	13.0
349.24103	1.2
359.14862	6.0
361.16400	4.4
365.23297	3.5
445.29764	2.4
557.34595	6.8
624.43384	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	804.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	1.5
60.98440	0.6
63.89165	0.7
65.03938	2.5
67.01876	1.6
67.05507	5.7
69.03419	2.9
69.07066	1.3
79.05495	7.1
81.03437	2.3
81.07055	2.7
83.04988	100.0
84.05316	0.9
85.02902	1.0
85.06559	1.9
86.09702	1.0
91.05492	14.3
93.03413	1.1
93.07040	8.8
95.04980	11.8
95.08606	1.3
97.02888	2.6
97.06567	0.8
99.08131	1.0
103.05503	1.5
103.65865	0.8
105.03391	1.9
105.07044	6.8
107.04964	5.5
107.08600	3.0
109.06509	2.1
109.10175	0.8
111.04436	1.1
115.05472	3.4
116.06219	0.8
117.06990	5.3
119.04959	4.9
119.08604	3.5
121.02863	1.0
121.06525	6.1
121.10116	0.9
122.07295	1.2
123.04431	2.0
128.06256	7.4
129.07027	10.2
130.07809	0.8
131.04950	2.0
131.08566	5.6
132.89270	0.9
133.06549	1.7
133.10141	1.0
135.04414	5.4
135.08096	1.7
137.06015	2.9
141.07010	11.7
142.07796	7.3
143.08566	9.5
144.05696	1.0
145.06480	5.4
145.10114	3.9
147.04424	3.6
147.08069	3.1
149.02371	7.6
149.03406	1.3
149.06032	1.1
152.06265	2.6
153.07040	5.1
154.07797	8.3
155.08585	6.1
156.09329	1.6
156.93256	0.9
157.06525	2.9
157.10143	5.5
158.07292	1.8
159.04430	2.3
159.08052	5.3
159.11702	1.2
159.68852	0.8
161.06027	2.1
161.09613	1.8
163.03972	1.5
165.05519	2.4
165.07004	2.8
166.07834	2.1
167.08595	5.4
169.06523	1.3
169.10139	14.9
170.07291	3.0
171.08067	7.4
171.11694	1.9
173.06059	1.9
173.09669	3.0
175.11214	2.6
178.07796	1.2
179.08553	6.2
181.06540	1.5
181.10141	2.7
182.07307	3.5
183.08049	2.2
184.07422	1.7
184.08801	0.9
185.06084	0.7
185.09622	9.9
187.07578	2.5
187.11156	3.8
189.09094	1.8
193.04984	7.3
195.08054	4.3
197.05908	1.2
197.09618	16.5
199.07581	2.9
199.11227	3.3
200.92757	0.9
201.09099	3.2
203.10558	0.9
209.09740	1.1
213.05554	0.8
213.09129	12.5
215.07062	2.4
215.10721	7.0
217.08586	1.6
217.12132	1.1
223.07693	0.9
225.09091	8.2
227.10684	1.2
231.10080	1.4
237.07642	2.2
241.08638	6.3
243.10194	23.6
245.11760	2.0
249.14854	1.0
257.11835	1.3
259.09665	24.6
261.11469	4.9
275.12866	5.4
277.14313	2.2
293.13873	1.5
313.14368	1.8
341.13855	33.9
343.15433	87.6
344.15768	3.3
359.14920	3.2
361.16556	1.8
375.18335	0.9
385.09180	0.8
491.58331	0.8
577.13678	1.4
619.24963	1.4
642.44714	1.1
733.32513	1.1
751.32971	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	4.0
56.05826	0.7
57.03430	2.3
61.02934	1.6
65.03937	3.7
67.01868	2.9
67.05508	10.8
69.03420	2.5
69.07065	2.2
70.06600	5.3
71.04993	1.3
71.51424	1.2
72.04524	4.3
73.02899	0.9
74.06077	2.5
78.21880	0.8
79.05498	10.2
80.05026	1.0
81.03411	2.2
81.07059	7.1
83.04986	100.0
83.08616	1.1
84.08141	1.0
85.02908	1.9
85.06561	2.0
88.07617	3.4
91.05485	10.0
93.03401	2.1
93.07056	7.0
95.04973	11.3
95.08598	4.3
97.02882	2.4
97.06522	1.3
98.06042	1.8
102.05550	1.4
103.05470	2.5
105.07014	6.7
106.09460	0.9
107.04977	5.5
107.08613	3.9
109.02898	1.5
109.06480	2.0
109.10188	2.4
111.04443	1.1
114.05532	0.9
115.05459	6.3
116.07090	3.9
117.07022	4.3
119.04951	2.3
119.08592	4.4
121.02859	1.4
121.06508	6.1
121.10155	1.8
123.04437	1.9
123.11788	0.9
128.06230	7.6
128.07057	1.4
129.07013	12.1
131.04977	2.6
131.08592	6.0
132.06558	1.3
133.06522	2.3
133.10101	2.3
135.04442	3.7
135.08083	2.8
135.11664	1.5
141.07030	8.2
142.07788	15.0
143.08585	6.6
144.05788	0.9
145.06503	3.9
145.10115	2.1
146.07175	1.0
147.04422	3.3
147.08086	2.0
147.11650	0.9
149.05916	1.3
152.06241	5.7
153.07016	4.9
154.07756	3.9
155.08582	4.3
157.06534	3.9
157.10146	9.2
159.04431	4.0
159.08086	7.2
159.11729	1.4
161.06000	3.4
161.09560	1.8
163.03918	1.5
163.07552	1.9
163.11166	0.9
165.07018	3.0
166.07817	1.3
167.08591	9.4
169.06470	3.1
169.10146	2.8
170.07280	4.5
171.04515	0.8
171.08060	6.9
173.06001	1.9
173.09613	1.9
175.07628	1.5
175.11171	5.5
177.05531	1.3
181.06381	0.8
183.08061	2.0
183.11649	0.8
184.07394	1.3
185.06036	1.2
185.09625	17.1
187.07559	12.7
189.09122	1.5
195.08032	9.1
197.06062	1.1
197.09570	1.9
198.06734	2.1
199.07538	3.6
201.09135	2.2
203.10738	0.8
208.13350	1.5
210.14917	6.9
211.07532	1.3
213.09100	20.8
215.07091	1.9
217.08633	2.4
223.07602	2.3
225.09109	2.2
226.06381	0.9
227.12794	1.0
228.15927	4.7
231.10089	2.6
241.08595	15.9
243.10205	2.9
252.15930	2.3
259.09680	42.1
267.13788	1.1
273.11316	3.1
275.12845	3.8
302.19620	1.4
313.14270	3.7
323.12543	1.3
335.25745	2.7
341.13849	66.6
342.14218	2.2
359.14948	6.9
373.16489	1.8
403.80740	0.9
493.50052	0.9
548.39917	1.1
596.41656	2.9
604.41602	1.4
622.42224	1.7
640.44263	16.6
649.25745	1.3
656.33978	1.0
758.46686	1.4
802.49731	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	801.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05848	1.1
56.18291	1.0
59.05003	1.4
62.95795	1.1
65.03954	1.0
67.05505	2.8
69.03425	3.0
71.14830	2.3
76.74373	1.2
79.05487	4.3
81.07051	3.5
83.04986	100.0
84.05329	2.5
85.06558	2.7
91.05487	11.6
93.07057	4.0
95.04978	5.9
96.05299	1.1
97.02898	2.0
103.05501	2.3
105.07071	6.4
107.04955	2.7
115.05473	3.7
117.07014	4.7
119.04949	3.8
119.08557	3.3
121.06501	5.7
128.06241	6.2
129.07019	9.5
131.08562	2.6
133.06517	2.0
135.02669	1.1
135.04425	2.9
137.05980	1.9
141.06981	9.1
142.07773	4.6
143.08559	8.1
145.06471	3.5
145.10136	1.9
147.04370	2.5
147.08058	3.3
149.05992	1.3
152.06181	2.7
153.06990	4.2
154.07819	6.1
155.08617	5.7
157.06535	4.0
157.10146	4.9
158.07188	1.4
159.04399	2.3
159.08037	4.0
161.06017	1.3
165.05556	2.4
165.06984	2.2
166.07834	1.7
167.08501	4.0
169.06487	2.1
169.10135	12.7
170.07236	1.6
170.77724	1.3
171.08070	5.0
172.08748	1.8
173.05995	1.4
173.09586	3.4
175.11105	1.4
177.05458	1.3
178.07806	2.0
179.08589	3.0
181.06509	1.2
182.07265	3.8
183.08080	1.5
185.09616	6.4
187.07565	2.0
187.11194	2.9
189.09052	1.8
195.08073	1.6
197.09630	13.7
199.07581	2.3
199.11140	2.4
201.09184	2.9
213.09135	8.5
215.10706	5.8
216.11159	1.2
217.08688	2.6
225.07231	1.8
225.09055	7.5
229.08543	1.5
231.10130	2.0
236.74692	1.1
241.08659	5.1
243.10179	20.5
244.10599	1.3
259.09695	8.4
261.11304	14.8
265.84595	1.2
273.11191	3.0
275.12756	2.2
291.12250	1.7
313.14536	1.4
341.13879	21.6
343.15408	40.2
344.15787	3.3
361.16446	9.8
633.27441	1.6
701.29559	2.5
733.31433	4.0
751.33301	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.5651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.7
57.07087	0.4
58.06626	0.5
60.08168	6.8
67.05507	0.6
69.07073	0.5
69.39873	0.4
69.40276	1.2
71.07375	3.6
79.05517	0.2
79.26958	0.2
81.07060	0.8
83.05003	0.3
83.08617	0.3
86.09713	30.6
87.10072	0.3
91.05490	0.4
93.06999	0.2
95.08594	0.3
98.98482	3.1
104.10762	1.8
105.07027	0.5
107.08642	0.3
109.10249	0.2
111.35131	0.2
119.08609	0.3
125.00016	21.1
133.10132	0.3
143.01111	0.2
177.13234	0.2
184.07355	100.0
185.07753	1.0
411.69824	0.2
504.04080	0.2
626.44318	0.6
654.32098	0.3
780.55408	3.5
781.56409	0.4
782.89447	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	799.5334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98572	0.9
57.03437	2.4
61.02938	6.5
66.21727	1.0
67.05513	8.0
69.03430	2.8
69.07069	2.5
69.54826	0.8
71.05005	1.1
71.50722	1.0
73.02931	4.5
79.05496	3.6
81.03414	1.3
81.07053	6.1
85.02901	4.8
86.09703	1.4
91.03972	3.5
91.05483	2.7
91.59900	0.9
93.07059	3.1
95.08629	6.4
97.02931	5.3
101.02410	1.3
105.07051	2.0
107.08601	2.8
109.02850	1.0
109.10171	2.5
112.45609	0.9
121.10162	1.2
125.09643	1.0
127.03912	0.9
130.77887	0.8
132.31706	1.0
135.42294	0.8
184.07358	1.9
197.38184	1.0
263.08505	0.9
519.29486	7.2
521.30847	6.9
579.66394	1.0
593.40649	1.0
799.53333	100.0
800.52802	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	800.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	8.1
57.03445	12.4
58.06610	2.4
60.04482	1.8
61.02909	3.6
65.03950	1.9
67.05511	53.0
68.05018	3.7
69.03424	7.3
69.07071	14.6
70.06573	6.7
71.04981	4.8
71.51203	1.7
72.04530	2.7
73.02906	2.9
76.03994	12.2
77.03940	2.5
79.05071	2.8
79.05500	44.9
80.05050	3.1
81.03426	71.0
81.06597	3.0
81.07063	57.2
82.06570	3.7
83.04972	6.3
83.08625	17.5
85.02901	4.5
86.09650	1.9
86.42162	1.9
89.48363	2.2
91.05484	32.1
93.07050	39.7
95.04974	25.1
95.08068	2.7
95.08615	35.3
97.02882	4.9
97.06521	3.7
97.10175	4.7
102.05537	2.5
105.07044	22.5
107.04939	7.7
107.08593	24.3
109.06538	5.1
109.10165	14.8
111.08059	5.1
117.06992	6.3
118.05045	2.9
119.08590	24.6
121.06498	3.6
121.10130	20.5
123.08038	5.3
123.11684	6.0
125.09634	2.9
129.06990	7.9
131.08589	13.9
133.06476	3.6
133.10143	12.8
135.08034	2.4
135.11684	9.6
137.09607	3.1
138.05522	2.4
143.08517	2.5
145.10088	7.9
147.08000	2.6
147.11729	9.8
149.09581	9.8
149.13245	6.5
150.12784	7.4
157.10126	7.8
159.11684	7.2
161.13260	4.7
163.14787	3.2
168.13799	3.0
173.13269	5.0
175.11195	8.0
178.12267	6.3
184.07213	2.0
187.14850	4.3
193.12218	22.6
196.13342	30.2
196.17061	2.3
198.14885	3.3
214.14467	5.6
222.14745	2.5
224.12804	3.8
227.12823	2.8
240.15913	7.4
242.13893	3.1
243.21083	3.9
249.14949	3.5
261.22183	16.6
267.15933	100.0
268.15781	2.8
316.17511	3.4
317.24872	3.2
335.25833	92.0
336.26270	2.4
342.19031	5.7
435.32364	2.8
453.33536	4.1
471.34720	2.5
527.37378	45.0
545.38495	22.8
558.37805	2.3
576.38959	7.5
594.39990	9.6
620.41974	13.6
631.67993	2.2
638.42365	3.3
647.76794	2.5
649.59875	2.2
782.46619	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	795.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	0.8
63.28820	0.7
63.81075	0.6
67.05502	2.2
70.08918	0.7
71.26482	1.5
79.05507	1.3
79.91960	0.7
81.07060	1.6
85.02914	1.2
86.09693	1.7
87.14832	0.7
91.05502	1.4
93.07056	1.3
95.08632	1.2
106.54179	0.6
107.08633	1.0
109.10121	1.5
119.08607	1.2
121.10162	0.8
125.00028	1.0
156.13399	0.7
184.07339	3.2
295.61682	0.8
601.19501	0.8
691.40265	7.7
795.42877	100.0
796.42896	8.0
826.92432	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	0.8
63.28820	0.7
63.81075	0.6
67.05502	2.2
70.08918	0.7
71.26482	1.5
79.05507	1.3
79.91960	0.7
81.07060	1.6
85.02914	1.2
86.09693	1.7
87.14832	0.7
91.05502	1.4
93.07056	1.3
95.08632	1.2
106.54179	0.6
107.08633	1.0
109.10121	1.5
119.08607	1.2
121.10162	0.8
125.00028	1.0
156.13399	0.7
184.07339	3.2
295.61682	0.8
601.19501	0.8
691.40265	7.7
795.42877	100.0
796.42896	8.0
826.92432	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.6
57.02444	0.2
58.06611	0.5
60.08168	6.1
67.05511	0.4
69.07052	0.2
70.06596	0.3
71.07378	3.6
72.57513	0.2
81.07050	0.4
86.09709	31.9
87.10050	0.7
93.07052	0.2
95.08626	0.4
98.98467	4.4
104.10757	1.8
105.07059	0.3
106.03549	0.2
118.08656	0.2
119.08540	0.2
125.00011	22.0
126.02682	0.2
141.29539	0.2
143.01073	0.3
172.18996	0.2
181.33046	0.2
183.11864	0.2
184.07349	100.0
185.07695	2.5
186.07829	0.8
201.24501	0.2
229.44942	0.2
287.45056	0.2
402.11279	0.2
570.22308	0.2
778.41882	0.2
778.53833	3.0
796.53424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93532	3.0
57.07083	2.3
67.05497	8.9
69.07067	8.8
69.39545	2.0
70.95872	2.6
71.50660	3.3
72.93793	4.3
79.05514	7.2
79.12061	2.0
81.07053	8.2
83.08607	6.8
84.53278	1.8
86.77731	2.0
90.94817	3.1
91.05502	5.4
93.07063	5.0
95.08677	3.4
97.10149	2.7
102.46825	2.2
105.07031	2.3
109.10197	2.3
146.97411	3.1
170.91431	12.7
178.98007	2.2
188.92467	36.8
208.93008	4.9
226.94058	38.7
244.95013	10.5
249.95596	3.9
264.95615	2.3
281.09933	4.1
282.96646	14.1
311.25943	2.5
329.12079	5.1
331.13617	7.4
333.15125	100.0
335.85025	2.2
389.12463	2.6
389.17786	7.8
407.12653	2.2
445.14673	3.2
463.15216	12.7
469.14420	27.9
470.14954	2.6
519.17975	4.5
543.18250	4.6
571.47229	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	797.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.6
61.02933	6.5
67.05518	5.3
67.70515	0.3
69.03435	3.6
69.07078	1.2
69.30396	1.6
69.30815	1.7
73.02923	4.9
75.25179	0.4
79.05504	3.6
81.03431	1.5
81.07061	4.6
83.08624	0.9
85.02917	4.5
87.04456	0.5
91.03966	3.7
91.05480	2.2
93.07066	4.6
95.04987	0.4
95.08611	3.9
97.02906	5.6
99.04455	0.6
101.02365	2.1
103.03944	0.5
105.07059	1.6
107.08626	1.6
107.76577	0.4
109.02908	0.5
109.10182	1.5
115.03973	0.4
117.07047	0.5
119.08614	1.1
121.10188	1.7
127.03976	1.0
131.08609	0.6
135.11687	0.8
141.90010	0.5
145.05035	0.4
145.10101	0.4
149.13293	0.6
184.07402	0.8
185.04292	0.6
243.08553	1.6
390.67984	0.4
519.29321	14.0
520.30151	0.6
683.43884	0.5
797.51782	100.0
798.52295	8.0
802.04291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.533
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.9
57.07093	0.2
58.06625	0.5
59.07424	0.2
60.08165	6.4
64.70202	0.2
67.69254	0.1
71.07378	3.7
79.05478	0.2
81.07063	0.3
85.99902	0.2
86.00414	0.2
86.09708	31.8
87.04460	0.7
87.10011	0.2
91.05494	0.4
93.07073	0.3
95.08592	0.2
98.20724	0.4
98.97865	0.3
98.98474	3.5
104.10746	2.0
119.08549	0.2
125.00009	22.3
156.51024	0.2
166.02679	0.2
184.07346	100.0
185.07678	0.9
319.54358	0.2
356.68411	0.2
486.22437	0.2
776.52301	2.9
794.44318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	1.0
57.07075	0.1
58.06623	0.3
59.07403	0.2
60.08167	6.2
67.05495	0.4
69.07082	0.2
71.04974	0.1
71.07380	4.2
79.05506	0.3
81.07074	0.5
83.08617	0.1
86.09710	31.6
87.04469	0.4
87.10050	0.2
91.05474	0.2
93.07040	0.3
95.08611	0.3
98.98470	3.9
102.07747	0.1
104.10749	3.1
105.07052	0.3
107.08611	0.3
109.10177	0.2
119.08599	0.2
121.10129	0.1
125.00011	21.5
143.01083	0.2
145.10132	0.1
161.13290	0.1
165.93956	0.1
184.07350	100.0
185.07733	0.8
210.02911	0.1
250.67125	0.1
257.16504	0.1
284.70993	0.1
356.82083	0.1
384.09808	0.1
433.09683	0.1
518.32629	0.2
604.43317	0.1
604.54858	0.1
611.46381	0.1
665.46405	0.1
776.52112	0.1
794.53381	4.5
795.53503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	14.7
57.07063	5.9
61.02914	4.2
65.03929	4.8
67.05509	100.0
68.05845	1.8
69.07072	39.0
69.26367	14.3
71.04988	3.0
71.08634	2.7
72.87190	1.3
73.72929	1.5
77.03915	1.2
79.05501	43.9
79.05960	2.2
81.07063	96.0
83.04965	3.1
83.08626	17.9
85.02905	3.3
85.06589	2.3
87.04475	4.0
87.85496	1.4
91.05488	30.5
91.37576	1.6
93.07050	52.0
94.07365	1.6
95.04955	4.2
95.08611	78.3
97.02856	2.9
97.06511	5.0
97.10159	9.7
99.08109	1.6
105.04559	1.6
105.07037	22.7
107.07894	1.7
107.08605	31.8
109.06448	1.8
109.10157	35.7
111.08107	3.2
111.11722	2.7
117.07076	7.4
119.08593	20.0
121.10143	26.0
123.11701	14.3
125.00075	2.0
131.08562	12.5
133.10143	17.9
135.11702	16.7
137.09532	1.7
137.13228	4.2
145.10159	8.5
147.11707	13.2
149.13281	12.3
151.14835	2.8
157.10112	2.1
158.65054	1.5
159.11681	7.1
161.13280	8.0
163.14801	6.9
171.11583	1.7
173.13321	7.3
175.14815	5.7
177.16399	2.8
184.07341	4.5
185.13213	1.6
187.14749	3.5
189.16405	1.9
201.16350	1.7
231.20987	1.6
233.22646	2.1
243.21127	7.7
245.22717	4.4
259.20572	7.5
261.22153	27.6
263.23755	5.6
279.23450	1.6
302.77512	1.4
317.24646	4.4
333.24219	6.2
335.25815	90.9
336.26019	2.3
337.27383	99.0
338.27856	3.6
339.28897	5.6
377.74557	1.7
523.45093	4.2
541.46643	2.1
597.48737	32.3
615.49872	26.1
675.10309	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	13.9
57.03448	10.3
57.07073	3.4
57.58462	1.2
61.02927	2.9
65.03942	2.9
67.05511	65.5
69.03425	2.7
69.07075	17.6
69.95403	1.4
70.75198	3.2
71.04991	2.5
79.05503	39.7
81.07063	68.3
83.04999	1.8
83.08633	7.7
85.02903	2.4
85.06528	2.3
91.04926	1.4
91.05489	24.8
93.07055	53.7
95.04971	4.0
95.08618	55.5
97.02919	1.5
97.06509	2.8
97.10166	3.7
99.08067	1.9
103.94952	1.1
105.07044	22.4
107.08605	27.0
109.06549	1.4
109.10167	23.9
111.08115	1.6
117.07026	8.9
119.08598	16.2
121.10155	22.8
123.08054	1.2
123.11700	7.6
129.58647	1.5
131.08600	14.7
133.10112	13.6
135.11697	15.3
137.09537	1.3
137.13258	3.2
145.10135	12.5
147.11713	10.7
147.91179	1.1
149.09601	1.5
149.13281	11.8
151.11157	1.8
157.10124	2.9
159.11682	11.1
161.13289	7.8
163.14825	5.3
171.11716	2.1
173.13295	10.3
175.14830	4.3
177.16446	2.0
185.13213	2.4
187.14801	3.2
197.13193	1.3
201.16342	2.4
213.16640	1.2
217.19533	1.6
241.19569	3.5
243.21141	6.3
259.20529	8.1
261.22144	18.5
263.23663	2.2
279.79614	1.1
302.23627	1.5
317.24683	3.9
333.24231	5.9
335.25818	100.0
336.26144	2.4
337.27396	9.0
340.95566	1.4
521.43573	1.8
595.47278	12.9
613.48462	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	792.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.4
55.05514	24.8
57.03447	12.2
57.07079	5.7
57.54133	1.9
59.58541	2.1
61.02922	3.6
65.03932	4.4
67.05508	83.4
67.14445	1.8
69.03401	2.1
69.07076	22.4
69.22471	10.6
69.22894	8.9
71.04980	3.7
72.02565	2.1
74.09726	2.0
74.72957	1.9
79.05500	51.9
79.05951	2.1
81.07062	75.5
82.07374	2.3
83.05008	2.5
83.08622	9.7
86.09719	3.5
91.05489	30.3
93.07050	54.5
95.04983	5.3
95.08612	51.1
97.06540	4.1
97.10157	3.4
105.07042	21.3
107.08602	27.3
109.06527	2.4
109.10161	27.4
111.11742	2.5
117.07011	7.8
119.08591	21.0
121.10163	23.2
123.08054	2.2
123.11703	9.4
125.00005	4.1
131.08563	14.0
133.10138	11.6
133.60681	2.2
135.11702	18.7
137.13243	2.6
143.08575	3.5
145.10141	11.4
145.63708	2.0
147.11696	12.4
149.13278	8.7
157.10175	3.7
159.11656	9.9
161.13260	7.3
163.14882	4.0
171.11702	4.5
173.13252	8.0
175.14822	6.4
184.07367	16.2
185.07825	2.8
187.14897	2.8
193.86324	2.6
241.19641	3.2
243.21062	4.6
259.20593	7.2
261.22183	17.9
317.24731	3.2
333.24271	5.8
335.25815	100.0
337.27380	9.0
442.46790	2.3
595.47308	14.6
613.48035	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	790.5592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.2
56.05037	1.0
57.07062	0.2
57.16770	0.1
58.06631	0.5
59.07393	0.1
60.08168	6.1
60.31517	0.1
60.87341	0.1
67.05505	0.2
69.07060	0.1
69.80466	0.1
70.80814	0.2
70.81161	0.2
71.07381	3.5
71.08630	0.1
79.05491	0.2
79.51237	0.1
81.07059	0.3
83.08613	0.2
86.09713	28.5
87.10051	0.3
93.07056	0.2
95.08620	0.1
95.58125	0.1
97.06533	0.1
98.98473	3.7
104.10755	2.6
105.07040	0.1
107.08600	0.1
116.71960	0.1
118.03227	0.1
118.32229	0.1
125.00016	19.4
126.64200	0.1
133.36963	0.1
169.49025	0.1
184.07353	100.0
185.07706	0.8
186.07875	0.2
313.27286	0.1
330.82761	0.1
418.76187	0.1
496.33667	0.2
509.67123	0.1
534.32501	0.1
610.45343	0.2
650.43805	0.2
651.66980	0.1
679.20386	0.1
690.47046	1.4
772.54852	0.8
790.55798	2.6
791.55481	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	791.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
55.05515	3.0
57.03434	2.6
57.07075	0.6
59.05007	1.5
61.02935	5.5
67.05507	7.7
69.03435	3.5
69.07061	2.4
71.04999	0.9
71.30759	1.1
73.02937	4.9
79.05505	4.6
81.03426	3.0
81.07070	7.1
83.04993	1.3
83.08625	1.6
85.02923	5.2
86.09708	2.1
87.04501	0.9
89.06068	3.0
91.03961	2.5
91.05498	4.8
93.07043	5.1
94.77251	0.6
95.04962	1.5
95.08606	4.8
97.02895	5.0
97.06521	0.8
97.10197	0.8
97.93754	0.6
99.04517	0.9
101.02383	1.4
104.75116	0.5
105.07033	2.9
107.08627	2.1
109.06547	1.3
109.10177	1.8
110.78691	0.6
111.08140	0.6
117.07021	1.4
118.11417	0.6
119.08578	2.1
121.10178	1.8
123.11689	0.7
125.00030	1.4
127.03934	1.4
131.08557	1.9
133.08614	1.8
133.10173	1.7
135.11746	1.4
143.08626	0.7
145.10135	0.9
157.10278	0.6
159.11795	1.6
161.09575	0.7
161.13251	0.8
173.13269	0.7
181.08688	0.5
184.07350	6.4
212.26031	0.6
216.39014	0.6
243.08609	2.1
275.20151	0.7
276.20398	0.8
295.15079	3.0
349.06866	0.7
413.17752	0.6
415.69870	0.7
513.22913	7.7
519.29321	4.2
573.04285	0.6
619.45850	1.3
791.45538	100.0
792.45654	5.6
823.86053	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
55.05514	16.1
56.02005	0.8
57.03437	14.4
57.07065	1.8
60.08149	3.1
65.03953	1.4
67.05507	43.0
69.03430	1.4
69.07071	11.5
71.07362	2.6
79.05495	36.2
81.03419	3.2
81.07059	42.3
83.04965	1.9
83.08617	6.2
84.94335	0.9
85.06547	4.4
86.09712	18.9
87.10017	1.5
91.05482	39.3
93.07047	40.1
93.07638	2.2
95.04951	3.2
95.08611	32.4
97.06525	2.8
97.10160	4.0
98.98472	3.8
99.04466	3.0
103.05453	1.1
104.10746	1.4
105.04492	1.1
105.07034	27.3
107.04956	5.4
107.08595	16.9
109.06511	5.2
109.10162	13.3
111.08069	2.2
115.05392	1.0
117.07033	11.3
119.08592	21.1
119.32338	0.9
119.40857	0.9
121.06490	3.0
121.09330	1.3
121.10139	13.5
123.08044	3.3
123.11711	2.5
124.99198	1.6
125.00008	14.6
129.07014	3.0
131.08569	19.4
133.10130	13.6
135.08057	2.5
135.11693	7.7
137.09589	2.4
143.08514	3.1
145.10126	10.5
147.11682	4.6
149.09601	2.8
149.13287	2.4
157.10101	2.1
159.11752	6.8
161.13257	2.6
173.13268	3.9
175.14896	2.2
183.11690	1.4
184.07352	57.2
185.07706	6.3
185.13261	3.6
201.16364	3.5
203.14297	3.1
216.81117	0.9
219.17447	100.0
220.17828	1.9
257.18979	2.2
261.22174	1.2
275.20029	17.2
289.17874	1.4
293.21045	1.9
335.25812	62.4
336.26074	2.0
348.03488	0.9
349.23734	11.7
543.40125	1.1
608.17200	1.0
609.45142	57.8
610.45154	4.0
617.44202	2.3
789.54303	1.8
813.47040	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.2
55.05515	15.6
57.03437	1.4
65.03930	2.1
67.01847	1.5
67.05507	9.9
69.03431	8.6
69.07063	3.8
71.04978	1.3
71.50953	1.6
79.05499	17.6
81.03426	6.2
81.07056	16.1
83.04987	20.1
85.02899	3.9
85.06526	1.7
86.09723	3.9
91.05486	22.1
93.07053	16.2
95.04972	7.8
95.08627	5.9
97.06542	2.4
99.61757	1.2
103.05463	2.1
105.07037	37.0
106.07369	1.4
107.04956	11.4
107.08606	9.7
109.06513	4.8
109.10152	2.7
111.04431	2.5
113.02396	1.4
115.05446	4.9
117.07030	9.0
119.04933	6.1
119.08595	7.9
120.08923	2.1
121.02911	2.3
121.06507	5.5
121.10153	2.8
123.04443	2.4
123.08080	3.6
125.00005	2.2
128.06218	10.2
129.07018	19.1
131.04959	6.1
131.08585	21.2
133.06502	9.9
133.10120	5.2
134.85725	1.4
135.04433	6.5
135.08054	12.2
137.05939	1.8
141.06989	9.5
142.07784	11.8
143.08571	28.6
145.06447	5.3
145.10132	11.5
145.83546	1.2
147.04372	3.6
147.08026	4.6
147.11664	3.7
149.05991	2.3
149.09621	3.1
151.07506	2.7
152.06169	1.3
153.05511	4.4
153.06992	6.8
154.07768	5.1
155.08575	18.5
156.09383	11.8
157.06517	16.4
157.10132	21.7
158.07257	3.2
159.04433	25.2
159.08089	9.9
159.11681	4.2
161.05995	3.1
161.09639	2.3
163.07574	1.5
165.06995	11.3
166.07791	22.0
167.08536	3.8
168.09381	3.8
169.06451	2.9
169.10117	17.1
170.07211	1.8
171.08070	10.0
171.11694	28.0
173.05959	1.7
173.09619	5.3
175.07581	4.0
175.11189	4.1
177.09096	2.4
179.08530	2.7
181.10139	55.6
182.07286	1.5
182.10515	1.6
183.08026	2.2
183.11682	6.0
184.07323	10.3
184.08855	9.3
185.06018	3.7
185.09616	22.2
187.07550	5.2
187.11275	6.1
189.09132	1.8
189.12672	2.4
194.07246	1.6
197.09644	8.7
198.10187	1.3
199.07607	3.7
199.11194	51.9
200.11539	2.1
201.09105	3.9
203.10786	3.2
209.09595	19.3
215.10695	23.4
217.12207	18.7
227.10686	100.0
228.10942	3.5
233.11716	3.9
235.13254	2.3
243.10075	1.8
245.11749	63.7
246.12155	2.3
261.11234	7.3
263.12811	50.3
264.13098	2.3
267.15933	2.5
283.01590	1.2
292.19070	1.3
335.25748	2.4
343.15430	5.1
345.17014	2.3
361.16370	9.7
363.18021	7.3
381.87299	1.3
484.93027	1.3
527.36499	1.3
528.37653	1.7
546.38788	2.1
790.50299	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
55.05518	1.3
56.05029	0.7
57.03432	0.5
57.07058	0.5
58.06599	0.5
59.53416	0.2
60.07886	0.3
60.08168	5.8
67.05507	2.5
67.74948	0.2
68.05824	0.3
69.03419	0.3
69.07054	1.0
71.04993	0.4
71.07378	4.2
71.51549	0.4
78.47012	0.2
79.05510	1.8
80.05825	0.3
81.03414	0.8
81.07058	2.2
82.42605	0.2
83.04986	0.5
83.08600	0.4
86.09711	29.4
87.10018	0.2
91.05495	1.5
92.05853	0.3
93.07050	2.2
95.04972	0.6
95.08627	1.2
97.02859	0.5
97.10168	0.5
98.98472	3.1
104.10755	3.3
105.07029	1.2
107.08583	1.1
109.02868	0.3
109.06530	0.5
109.10154	0.8
117.07048	0.6
119.08565	0.8
121.06544	0.2
121.10141	0.6
125.00013	20.2
125.09656	0.4
131.08551	1.0
133.10138	0.5
134.10547	0.2
135.11739	0.3
145.10127	0.7
145.83669	0.3
147.08066	0.4
157.10080	0.3
161.09698	0.3
184.07350	100.0
185.07689	0.5
189.11150	0.4
213.81543	0.3
215.61949	0.2
273.18353	0.4
275.20370	0.2
291.19510	0.6
292.19931	0.3
335.25763	1.0
336.26187	0.8
496.34247	0.3
626.44751	0.7
770.53192	1.5
788.54169	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	788.5439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.2
56.05037	1.1
57.07063	0.1
58.06629	0.6
58.12555	0.1
59.07388	0.1
60.08167	7.5
61.37645	0.1
67.05512	0.2
70.06600	0.1
71.06981	0.2
71.07378	4.3
71.08613	0.1
79.05488	0.2
80.97500	0.1
81.07056	0.2
83.04955	0.1
86.09710	35.5
87.10046	0.3
90.15426	0.1
91.05492	0.2
93.07082	0.1
95.04980	0.1
95.08615	0.1
98.98470	4.5
104.10049	0.2
104.10750	3.3
104.30381	0.1
125.00012	24.6
136.06203	0.3
143.01030	0.1
184.07347	100.0
185.07727	0.6
218.73985	0.1
297.59232	0.1
322.70251	0.1
371.13025	0.1
496.33826	0.2
633.33606	0.1
635.39899	0.1
690.47443	0.7
730.49359	0.3
752.52130	0.1
770.53601	0.5
788.54376	2.5
789.54053	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	788.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
55.05516	59.0
61.02920	0.5
65.03956	0.5
65.39825	0.4
67.05513	2.3
69.03434	2.2
69.07063	0.7
70.81445	1.1
71.04984	0.4
79.05490	3.1
81.03431	1.1
81.07069	3.2
83.04987	100.0
84.05354	0.8
85.02928	0.4
86.09275	0.4
86.09694	2.1
91.05479	4.8
91.81810	0.4
92.05004	0.7
93.07048	2.4
95.04965	2.8
95.08608	1.2
97.06528	0.8
103.05546	0.7
105.07035	4.0
107.04972	2.0
107.08627	0.5
108.50027	0.4
109.06527	1.9
111.04424	0.5
115.05456	1.5
117.07021	3.2
118.06556	1.2
119.04938	0.5
119.08609	1.9
121.06502	3.2
121.67006	0.4
123.04455	1.1
125.00027	1.2
128.06219	3.3
129.07025	3.0
130.07825	0.7
131.08575	2.6
133.06522	1.0
133.10161	1.1
135.04469	1.4
137.06015	0.8
141.06987	4.0
142.07771	2.2
143.08580	4.8
145.06551	1.3
145.10120	2.5
146.07275	0.5
147.04401	0.5
147.08064	1.0
152.06161	0.4
153.05515	1.2
153.07005	1.0
154.07796	5.5
155.08566	3.8
156.09381	0.5
157.06529	1.2
157.10121	1.7
158.07321	0.9
159.08028	1.3
159.11691	1.2
161.05951	0.5
161.09665	0.8
162.09137	1.1
165.07039	0.7
166.07811	0.9
167.08591	2.0
169.06541	0.6
169.10130	9.0
171.08069	3.3
171.11668	0.9
172.08929	0.6
172.60429	0.4
173.09596	2.7
175.07507	0.9
179.08546	2.1
181.06563	0.8
182.07312	1.4
183.08041	0.9
184.07358	5.2
184.08856	0.7
185.06123	0.7
185.09610	3.1
187.11226	1.5
189.09067	0.8
197.09608	5.0
199.11223	0.7
201.09149	0.6
213.09096	1.7
215.10698	4.0
225.09161	1.8
230.15404	2.2
231.10178	0.8
233.11778	1.3
243.10207	3.1
261.11237	20.7
262.11496	0.5
292.19095	4.7
326.25381	0.5
343.15283	0.6
361.16467	85.9
362.16907	2.0
626.43823	0.7
636.09247	0.5
788.49573	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	788.5437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
56.05033	0.9
56.83170	0.2
57.07063	0.3
58.06353	0.2
58.06614	0.6
58.27921	0.2
60.08168	6.5
66.90089	0.2
67.05501	0.4
69.07060	0.3
69.33363	0.9
69.33785	0.7
70.06573	0.3
71.07377	4.4
71.08639	0.4
73.72894	0.2
78.33440	0.2
79.05478	0.2
81.07068	0.5
83.04990	0.2
83.08628	0.2
86.09712	33.6
87.10027	0.3
91.05477	0.3
93.07033	0.3
95.08625	0.4
95.22127	0.2
97.10187	0.2
98.20736	0.4
98.98474	4.3
104.10751	3.2
105.07050	0.2
107.08611	0.2
119.08617	0.3
125.00012	22.6
136.37874	0.2
174.97824	0.2
184.07352	100.0
185.07687	1.1
368.87158	0.2
483.29718	0.2
605.38452	0.2
635.39581	0.2
653.40497	0.4
743.56415	0.2
770.53333	0.3
788.54376	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	787.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	8.4
55.05520	34.5
55.48163	3.2
57.03447	29.4
57.07078	6.6
61.02923	7.8
64.56075	3.1
65.03960	8.1
67.05511	100.0
68.05853	2.8
69.03428	18.5
69.07076	18.7
69.25124	29.7
71.04981	8.9
77.19885	2.9
79.05496	88.5
81.03430	23.3
81.07067	90.3
83.04985	8.5
83.08613	14.2
85.02898	9.8
85.06541	8.7
86.09721	6.6
91.03971	3.3
91.04906	4.8
91.05482	93.5
93.07050	94.9
95.04962	19.7
95.08611	56.9
97.02900	9.3
97.06537	13.1
97.10174	7.5
99.04448	5.2
99.08099	8.2
103.05434	5.2
105.04533	3.6
105.07040	71.4
107.04958	12.3
107.08595	41.3
109.02882	6.5
109.06519	16.0
109.10168	28.2
111.04423	4.3
115.05450	5.5
116.07960	3.4
117.07044	36.0
119.04917	3.5
119.08586	63.7
121.06496	12.9
121.10142	29.6
123.08073	11.0
123.11727	7.0
125.00013	3.4
125.09613	7.1
127.03917	8.5
128.06233	5.2
129.06995	18.4
130.07843	3.1
131.08577	46.4
133.06451	3.9
133.10153	30.3
135.08060	10.6
135.11659	17.6
137.09628	8.3
141.06999	4.1
142.07849	3.0
143.08585	17.1
145.06477	5.5
145.10138	31.7
147.08096	5.3
147.11719	23.4
149.09641	11.2
149.13269	8.8
151.11224	5.0
155.08559	9.4
157.10121	15.7
159.08060	5.9
159.11728	20.7
161.09657	13.7
161.13275	11.7
169.10109	11.6
171.11697	10.9
173.11943	3.0
173.13280	12.2
175.14883	6.5
181.10233	4.2
183.11722	9.1
184.07442	11.5
185.13280	11.0
187.14871	6.3
192.89981	3.2
195.11659	6.2
197.13261	7.2
199.11322	3.1
199.14844	6.7
201.12785	3.9
201.16489	6.1
209.13306	3.8
219.17461	85.9
229.14429	6.8
230.14658	4.0
241.19765	5.2
259.20624	13.5
261.22238	5.3
273.18484	27.9
275.20117	22.5
291.19556	8.5
315.23196	6.0
333.24249	29.2
335.25873	30.1
336.26071	10.7
337.25812	3.9
347.22067	5.1
349.23788	13.8
490.36160	4.5
546.23645	3.3
551.40485	4.4
553.38916	6.1
593.27997	4.2
607.35620	3.8
607.43695	44.7
625.44482	36.5
769.48969	5.1
787.48798	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	787.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	19.5
55.05515	41.2
57.03444	20.7
61.02932	17.4
65.03941	7.1
65.05005	2.7
67.05513	89.4
69.03445	20.0
69.07075	36.7
69.18009	5.9
69.18422	23.5
71.04993	7.7
73.02917	6.5
79.05501	68.5
81.03425	17.2
81.07064	76.4
81.74339	2.6
83.04990	10.3
83.08632	19.0
85.02908	14.7
85.06557	5.3
91.03964	7.5
91.05492	69.5
93.07053	62.0
95.04985	10.9
95.08619	50.9
97.02908	11.1
97.06540	20.0
97.10162	13.1
98.21446	7.0
105.07037	60.7
105.29507	2.7
107.04948	9.9
107.08601	39.0
109.02899	5.0
109.06528	7.7
109.10174	23.4
111.08104	6.4
115.05490	5.1
117.07023	30.8
119.08582	47.3
121.06570	4.5
121.10152	21.2
123.08093	8.1
123.11696	8.2
125.09624	11.5
127.03903	7.6
128.06248	7.9
129.07025	20.0
130.07841	3.3
131.08582	38.3
133.10155	35.8
135.08011	6.7
135.11714	12.1
137.09625	3.6
141.07027	10.6
142.07802	7.2
143.08574	23.5
145.06511	5.7
145.10133	34.8
147.08046	7.6
147.11722	19.7
149.09618	9.2
149.13322	8.1
151.11234	3.5
151.16101	2.9
154.07835	3.3
155.08559	14.3
155.10678	3.6
157.10172	28.3
159.07985	5.0
159.11700	23.5
161.13292	9.8
163.11252	5.8
167.08597	7.9
168.09383	4.3
169.10146	19.8
171.10361	4.3
171.11699	20.9
173.09610	3.5
173.11925	3.5
173.13234	15.0
175.11256	3.6
175.14949	3.5
181.10135	14.0
183.11763	15.0
184.07390	7.9
185.13284	11.5
187.14877	7.4
189.11270	4.4
193.10210	3.7
195.11716	10.8
197.13344	15.9
199.14862	11.2
201.12955	2.9
201.16475	4.1
207.11719	4.8
209.13330	8.3
211.14851	10.1
213.09198	3.2
213.16455	4.2
215.17996	4.6
219.17427	21.7
221.13289	5.5
223.14807	7.5
225.16365	4.2
227.12822	7.3
229.08513	3.1
229.14368	3.4
237.16333	3.9
239.17957	5.3
241.08589	4.7
241.19565	7.6
251.18124	3.7
253.15897	3.5
257.18997	5.6
259.20605	12.3
273.18634	8.5
275.20142	17.5
291.19659	5.9
333.24387	14.6
335.25946	8.7
349.23853	10.0
445.31085	3.5
513.35718	22.3
515.38995	5.7
527.37573	5.7
533.39587	7.3
575.73419	3.2
607.43549	39.7
625.44678	100.0
626.44702	8.5
769.47430	4.9
787.50092	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.9
55.05514	32.6
57.03445	16.5
57.07069	3.8
61.02929	10.4
62.75159	1.7
65.03932	6.1
66.26913	1.7
67.05508	80.2
69.03425	7.5
69.07069	24.9
69.55607	12.7
71.04974	5.2
71.65801	1.6
72.00601	1.5
73.02899	3.4
77.03917	2.3
79.05497	70.1
81.03416	5.6
81.07061	80.6
82.07384	1.7
83.04996	9.9
83.08617	14.0
85.02908	12.6
85.06544	2.5
86.09731	2.2
91.03947	2.8
91.05485	81.0
93.07051	70.1
94.07323	1.7
95.04964	11.2
95.08618	46.3
97.02879	8.0
97.06542	8.1
97.10162	6.0
99.08028	1.7
103.05455	5.7
105.07034	61.0
107.04949	7.4
107.08607	32.5
109.06532	12.8
109.10160	18.3
111.08089	4.7
115.05438	10.3
116.06219	2.5
117.07023	49.7
119.04984	2.1
119.08586	43.8
121.06528	8.1
121.10146	22.9
123.08056	6.1
123.11716	3.7
125.09663	2.1
128.06224	14.8
129.07007	32.2
130.07791	8.5
131.08574	58.1
131.51550	1.7
132.05721	1.8
133.06514	12.5
133.10130	26.5
135.08052	10.4
135.11679	14.1
137.09576	4.2
141.06955	9.8
142.07750	6.3
143.08572	49.0
145.06476	6.3
145.10129	61.3
147.08046	10.1
147.11705	10.9
149.09555	9.1
149.13266	6.6
154.07849	1.8
155.06094	2.1
155.08575	8.3
156.09277	2.3
157.10129	35.2
159.08028	4.6
159.11719	21.5
161.09608	15.2
161.13274	10.1
163.11211	10.2
165.07036	2.8
166.07787	1.7
167.08557	5.6
169.10101	12.2
171.11696	22.5
173.09671	5.0
173.13251	6.4
175.11140	11.3
175.14844	2.7
177.12813	2.5
180.09308	2.5
181.10109	7.7
183.11748	8.2
184.07373	5.2
185.13301	9.1
187.11250	4.6
187.14726	3.5
189.12715	4.4
193.12219	2.3
195.11745	11.2
197.13281	2.9
199.11328	2.1
199.14879	4.0
201.12642	2.8
203.10670	3.1
205.12181	3.1
207.11763	2.3
209.13281	6.9
211.14758	3.9
215.14392	3.7
217.15956	2.0
227.17981	9.3
237.16414	15.1
245.18973	12.7
251.41008	1.8
255.17467	23.4
257.19202	2.3
259.65060	1.8
261.22119	6.0
273.18494	82.9
291.19406	4.7
329.21176	5.0
335.25818	100.0
336.26117	3.2
347.22171	42.1
348.22479	2.2
417.22729	1.9
423.25562	2.1
441.59341	1.7
485.08795	1.8
548.52582	1.7
561.38062	2.3
607.43555	37.3
608.44055	2.9
625.44708	10.6
633.38873	2.3
710.57990	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.2
55.05271	3.1
55.05515	45.2
57.03437	16.1
57.07067	4.0
61.02916	5.7
65.03934	5.7
67.05509	83.6
69.03438	10.6
69.07069	25.8
70.80824	3.5
70.81163	4.3
71.04987	5.2
73.02918	4.0
79.05498	66.8
81.03416	9.8
81.07059	87.7
83.04990	11.6
83.08620	15.4
85.02896	7.0
85.06524	4.1
86.09709	2.6
91.03954	2.7
91.05487	100.0
93.07050	76.6
95.04986	14.4
95.05544	2.7
95.08610	55.0
97.02895	7.1
97.06535	8.4
97.10167	11.4
99.08101	2.5
103.05450	4.3
105.04546	4.2
105.07033	71.3
107.04963	12.6
107.08605	34.5
109.02894	2.4
109.06519	16.3
109.10174	14.1
111.08090	6.7
115.05466	11.9
116.06254	3.6
117.06236	3.1
117.07027	44.5
119.04963	4.2
119.08591	45.3
121.06497	9.7
121.10159	22.7
123.08043	11.6
123.11707	5.9
125.09611	4.7
127.03931	4.4
128.06226	27.7
129.07024	31.3
130.07806	12.4
131.08569	83.5
132.05751	2.6
132.08890	2.1
133.06493	9.8
133.10143	21.0
135.08025	6.6
135.11699	11.9
137.09564	4.0
139.11137	3.8
141.06976	8.9
142.07759	7.5
143.08571	82.6
145.06442	4.7
145.10130	82.2
147.08064	13.6
147.11685	12.1
149.09654	4.8
149.13243	6.7
153.07062	2.6
154.07727	2.9
155.08548	8.0
157.06496	2.2
157.10150	24.9
159.08044	5.5
159.11711	21.8
161.09634	16.2
161.13280	4.2
163.11180	8.3
163.14789	3.9
165.07089	3.2
167.08560	5.9
169.10139	18.4
171.11703	21.1
173.04588	2.7
173.09581	5.2
173.13281	5.9
175.11226	5.7
175.14876	2.6
177.12689	3.6
181.10127	16.7
183.11670	13.2
184.07388	8.1
185.09630	3.8
185.13251	9.2
188.60562	2.6
189.11235	2.6
195.11707	22.5
197.13257	3.9
199.11102	2.8
209.13274	3.0
211.14894	2.9
213.12753	3.1
213.16437	3.5
227.12746	2.2
227.17960	6.1
237.16388	24.0
245.18999	5.8
249.10869	3.2
255.17500	27.2
261.22205	7.3
273.18512	79.9
275.20087	2.6
291.19540	10.9
329.21130	6.1
335.25836	80.2
335.29932	4.1
336.26144	5.1
347.22202	38.2
362.15781	2.2
381.31631	2.2
383.18930	2.4
435.23666	3.5
529.38776	3.5
561.37622	7.1
607.34259	2.8
607.43616	50.0
625.44489	9.8
669.39551	3.1
787.47430	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	786.5278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94976	0.2
55.05508	0.3
56.05040	1.3
57.07063	0.3
58.06622	0.5
59.07370	0.1
60.08165	7.8
61.92155	0.1
63.37703	0.2
67.05505	0.4
69.07073	0.2
69.92967	0.1
70.06569	0.2
71.07374	5.1
71.08637	0.2
79.05492	0.2
81.07063	0.5
86.09708	37.7
91.05478	0.2
93.07050	0.2
95.08603	0.3
98.98466	4.5
104.10744	3.6
119.08586	0.3
125.00008	27.0
128.08244	0.2
166.02640	0.2
166.26677	0.2
184.07341	100.0
185.07677	0.9
253.72786	0.2
335.25558	0.2
434.22559	0.2
496.33975	0.3
530.28717	0.2
533.57910	0.2
768.51788	0.3
786.52808	5.5
787.52832	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.1
56.05038	0.8
58.06364	0.2
58.06628	0.5
59.07412	0.2
60.08170	5.9
63.51048	0.1
67.05495	0.3
69.07028	0.2
69.80500	0.4
69.80907	0.2
71.07384	3.8
75.24679	0.1
77.73888	0.1
80.51824	0.1
81.07066	0.4
86.09714	31.7
87.10055	0.3
91.05490	0.3
93.07047	0.2
95.08612	0.2
97.10198	0.2
98.97866	0.3
98.98478	3.6
104.10753	2.7
118.79520	0.1
125.00018	20.4
129.60419	0.1
135.04871	0.1
139.00960	0.1
143.01076	0.2
157.17888	0.1
166.02634	0.2
184.07356	100.0
185.07706	0.8
185.58745	0.1
496.34067	0.2
768.51917	0.4
786.52936	5.2
787.52954	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.1
55.05268	2.0
55.05516	26.6
56.05027	6.0
57.03447	11.6
57.07058	2.4
58.06602	1.8
59.05006	1.5
60.04526	1.7
61.02929	16.5
62.06094	52.7
65.03938	3.6
67.05508	57.4
68.05026	2.3
69.03443	10.8
69.07076	16.2
69.24610	1.2
70.02952	1.5
70.06596	14.1
70.54015	3.1
71.04978	4.2
72.04522	23.6
72.08143	1.2
73.02933	6.5
74.06089	3.0
79.05499	49.3
80.05017	5.6
81.03423	40.6
81.07063	58.8
82.06582	5.4
83.04988	14.2
83.08627	13.8
84.08134	3.7
85.02895	14.1
85.06531	3.0
86.06076	1.7
88.07642	8.3
91.03954	5.9
91.04977	2.3
91.05490	29.9
93.07053	46.4
94.06554	5.0
95.04980	18.8
95.08614	37.1
96.04486	2.4
96.08118	2.7
97.02909	14.2
97.06526	6.1
97.10162	4.8
98.06059	16.1
99.04444	1.7
100.07617	6.7
101.02369	1.5
103.05460	1.7
105.04510	2.1
105.07037	20.6
106.06568	1.4
106.07424	1.4
107.04955	5.1
107.08604	21.7
108.08145	1.8
109.06499	3.6
109.10159	15.8
111.04414	1.6
111.08086	3.9
111.11688	1.4
112.07618	6.7
114.05525	3.2
115.03914	1.6
116.07099	9.4
117.07008	5.3
119.08595	16.4
120.08132	1.5
121.06495	3.5
121.10152	19.5
123.08032	1.8
123.11720	5.1
124.07579	4.9
125.00060	1.6
125.09618	2.2
127.03876	3.8
129.07005	5.8
131.08566	13.8
133.06523	2.2
133.10124	10.2
135.11710	10.1
137.09677	2.8
137.13274	1.8
138.12782	3.8
141.07042	1.4
142.07777	1.8
143.08542	1.6
145.10120	8.2
147.08047	2.9
147.11647	6.9
149.09621	5.9
149.13223	3.7
151.11136	1.3
157.10146	6.8
159.11705	3.3
161.13254	4.2
163.11156	1.7
163.14815	1.9
164.14400	1.6
165.12828	2.1
166.12224	1.3
167.10628	2.1
171.08179	1.4
173.13283	4.1
175.11217	5.4
182.15382	6.2
184.07451	1.6
192.13855	5.0
193.12282	16.0
208.16988	2.7
210.14906	72.3
211.13309	1.8
211.15166	3.2
212.16423	2.4
224.11462	1.8
226.18092	6.7
227.12772	3.6
228.15964	28.5
236.16447	7.4
243.21104	3.4
246.16891	1.8
249.14795	2.6
254.17564	25.3
259.09738	3.4
261.22171	13.4
267.15945	77.4
268.16214	1.4
272.18518	4.2
275.20282	1.7
284.18582	8.5
291.19580	1.7
301.25137	1.6
302.19684	14.7
320.20706	2.4
328.21173	6.5
335.25827	68.2
336.26178	2.0
341.13889	2.0
346.22183	4.0
435.32626	2.5
453.33707	1.9
527.37311	27.4
528.37567	2.4
545.38605	12.6
562.41187	23.8
563.41370	1.8
571.36279	1.5
580.42188	38.0
588.42346	2.3
606.43665	100.0
607.43964	6.2
724.45947	4.7
742.46674	5.9
750.47729	2.4
768.48962	68.4
769.49091	4.8
786.42065	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.1
55.05513	22.3
56.05022	5.1
57.03438	12.5
57.07066	2.2
58.06599	2.8
58.58252	1.2
60.04548	2.5
61.02654	1.3
61.02932	16.5
62.06093	50.2
65.03930	3.6
67.05509	57.4
68.05027	2.3
69.03432	11.3
69.07072	16.8
70.02937	1.6
70.06600	13.3
70.53731	2.9
70.54100	2.6
71.01358	2.6
71.05007	7.0
71.08636	1.2
72.04147	1.9
72.04517	18.9
72.08158	3.0
72.69848	1.4
73.02917	7.2
74.06060	2.1
77.82748	1.4
79.05497	42.9
80.05003	6.0
81.03419	37.0
81.07061	61.5
82.06577	4.3
83.05003	7.8
83.08625	15.2
84.08113	2.9
85.02911	13.1
85.06554	1.6
86.06071	3.2
88.07635	7.7
88.34956	1.2
89.40507	1.2
91.03954	8.0
91.05482	29.0
93.07045	47.4
94.06552	4.5
95.04978	15.0
95.08611	43.2
96.04504	1.8
96.08125	3.1
97.02891	12.1
97.06517	9.1
97.10163	3.7
98.06052	16.3
99.04478	1.5
100.07601	6.1
101.02371	2.5
103.04053	1.2
103.05491	1.2
105.07030	21.3
106.06569	2.0
107.04942	4.5
107.08596	21.6
108.08134	1.9
109.02871	2.0
109.06551	3.3
109.10171	13.7
110.09661	1.2
110.69260	1.2
111.04451	2.1
111.08082	5.2
112.07575	5.6
114.05547	2.8
116.07067	9.0
117.07025	5.1
119.08578	16.3
121.06519	3.9
121.10148	20.3
123.08071	3.5
123.11700	5.7
124.07606	6.2
125.09635	3.5
126.09111	2.8
127.03886	2.5
129.07005	6.7
131.07718	1.6
131.08598	13.1
133.06514	2.1
133.10146	14.0
135.08055	2.3
135.11678	11.4
137.09613	2.7
137.13222	1.5
138.12753	2.7
139.37340	1.2
142.07761	1.5
145.10132	7.2
147.08037	2.0
147.11703	9.5
149.09641	7.4
149.13239	5.1
151.11256	1.8
157.10136	5.0
159.11685	5.0
161.13271	2.1
163.11151	1.8
163.14838	2.4
165.12860	1.8
166.12160	1.5
173.13307	3.1
175.11185	5.0
175.14766	1.5
182.15431	6.7
184.07455	1.6
187.14839	1.7
192.13841	5.0
193.12294	13.3
207.13820	1.8
208.16978	2.5
210.14903	74.9
212.16394	1.9
223.13219	1.8
224.11214	2.3
226.17961	5.4
227.12683	1.6
228.13763	2.2
228.15965	32.4
236.16428	7.2
243.21022	4.4
246.16940	3.2
249.14937	2.8
254.17552	20.6
258.27802	1.6
259.09531	1.8
261.22150	14.7
267.15915	69.4
268.16312	1.4
272.18610	3.7
273.18677	1.6
284.18607	8.1
291.19415	3.5
299.14981	3.0
302.19608	16.0
317.24866	1.5
320.20685	4.1
328.21121	5.3
335.25821	70.3
335.29922	3.3
336.26193	2.1
346.22272	4.2
435.32535	1.7
453.33606	2.4
471.35291	1.3
527.37317	25.3
545.38409	15.2
562.40918	26.9
577.88623	1.6
580.42096	48.5
581.42017	2.3
588.42737	2.0
589.34052	2.4
604.41663	1.9
606.43652	100.0
607.43958	6.5
724.45868	4.2
742.47382	10.2
750.47015	2.1
768.48938	72.1
769.48822	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	781.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.5
57.03443	1.7
57.07076	1.4
59.05010	0.5
60.08167	3.8
61.02929	5.5
67.05508	6.0
69.03436	3.7
69.07069	2.8
71.01369	0.6
71.04992	1.0
71.07378	1.9
71.08643	0.6
71.50997	0.6
73.02928	4.1
79.05488	3.8
81.03416	3.1
81.07058	6.8
81.67276	0.4
83.04982	1.0
83.08636	1.8
85.02907	5.5
85.03294	0.5
86.09712	16.1
87.04470	0.7
87.10048	1.7
91.03962	2.4
91.05508	2.1
93.07066	3.0
95.04996	1.0
95.08617	5.9
97.02902	4.7
97.06554	0.6
97.10201	1.0
98.98475	2.4
99.04452	0.8
101.02394	1.5
104.10780	1.6
105.07058	1.9
107.08622	2.0
109.10188	1.9
111.04465	0.5
111.08098	0.7
113.18443	0.5
117.07066	0.7
119.08614	1.8
121.10201	1.7
123.08069	0.5
123.11752	1.1
125.00014	12.3
127.03950	1.3
129.07062	0.8
131.08554	0.6
133.10161	1.8
135.11766	1.4
145.10133	0.8
147.11743	0.8
149.09642	0.8
157.10364	0.6
161.13275	0.6
163.11214	1.3
184.07349	51.0
185.04301	0.7
185.07700	7.0
186.07855	0.8
193.12228	0.7
227.07057	0.7
227.12871	1.1
239.07118	0.8
243.08514	2.2
267.15891	0.7
283.15125	3.6
290.63281	0.5
337.27399	1.0
400.48019	0.5
501.22986	4.3
521.31110	7.4
521.38611	2.7
669.46912	0.6
683.44733	2.9
781.47125	100.0
782.47382	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	786.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.9
55.05515	18.8
57.03195	1.8
57.03441	17.4
57.07087	2.9
59.04998	4.1
61.02927	2.9
65.03947	2.9
67.05508	100.0
69.03416	3.9
69.07070	13.8
71.05016	5.6
71.08611	1.4
77.03931	1.5
79.05499	42.2
81.03417	11.8
81.07061	53.8
82.06532	1.2
83.04976	4.7
83.08627	10.7
85.02908	6.3
85.06519	3.0
86.09709	3.4
87.04491	1.5
91.05478	30.5
93.07050	42.2
95.04980	9.1
95.08612	38.7
97.02880	4.2
97.06524	5.3
97.10168	2.9
98.20728	2.6
98.98511	1.3
99.08126	1.1
105.04555	2.1
105.07049	17.1
107.04948	8.1
107.08607	18.5
109.06519	7.6
109.10160	56.4
110.10516	1.4
111.04428	2.1
111.08083	4.3
115.05474	1.2
117.07031	10.2
119.04822	1.2
119.08601	18.1
121.06484	7.9
121.10153	15.8
123.08057	4.2
123.11697	4.1
125.00040	2.1
125.09624	3.3
127.56212	1.2
128.06259	1.7
129.07010	2.8
131.08600	13.2
133.06523	1.9
133.10158	11.5
135.08058	2.2
135.11719	10.6
137.09604	4.5
137.13246	2.6
139.11186	1.7
141.07028	1.6
143.08592	4.3
145.10126	10.5
147.08066	1.3
147.11690	5.4
149.09715	2.0
149.13242	5.6
151.11163	1.6
155.08545	1.4
155.10741	5.7
157.10112	1.7
159.08054	1.6
159.11711	9.6
161.09607	2.4
161.13222	6.1
163.11189	1.2
163.14850	2.0
169.10127	2.5
171.11668	3.0
173.11743	14.2
173.13292	4.4
175.14796	1.8
177.12753	1.8
183.91542	1.1
184.07304	7.2
187.11198	2.7
187.14764	2.9
189.11244	2.2
205.12202	3.0
223.13246	8.5
227.12836	4.0
229.14355	52.9
230.14685	1.8
237.14799	2.1
243.21106	5.5
259.20590	2.1
261.22168	14.7
267.15872	1.8
273.18512	3.6
279.15698	2.4
297.16971	16.2
317.24780	3.0
322.27496	3.3
335.25824	72.2
336.25897	2.6
465.33926	1.6
489.35803	28.5
527.37231	1.8
539.37073	2.3
557.38354	11.6
575.38959	3.3
607.43335	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5377
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
55.74708	0.1
56.05038	0.9
58.06636	0.5
58.33632	0.1
59.07384	0.2
60.08167	6.6
67.05500	0.2
69.16151	1.3
71.07378	3.7
78.01687	0.1
79.05491	0.2
81.07096	0.2
86.09709	33.6
87.10046	0.3
97.29351	0.1
98.98472	4.0
104.10741	2.1
104.59679	0.1
125.00011	23.3
125.05849	0.1
133.10104	0.1
184.07347	100.0
185.07660	0.8
219.88449	0.1
235.40346	0.1
778.53918	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3975
Annotation	vinorelbine
Peak:m/z	Relative Intensity
55.05506	1.2
65.03943	0.6
65.20261	0.5
67.05498	2.5
68.83221	0.5
69.07063	0.7
69.89816	2.4
71.05000	0.9
76.15100	0.5
79.05493	2.1
79.64993	0.6
81.07048	2.2
81.43865	0.5
83.04983	0.7
86.09684	1.0
88.41911	0.5
91.05504	2.3
93.07037	1.6
95.04996	0.6
95.08609	1.4
105.07064	2.2
107.08589	1.7
109.06538	0.7
109.10152	0.9
117.07056	1.1
119.08578	0.8
124.91730	0.7
125.00020	1.5
127.11214	1.2
131.08586	0.9
133.10194	0.8
135.08124	0.7
143.08583	0.6
145.10114	1.3
151.07608	0.8
157.10101	0.6
175.07503	0.8
177.09180	0.6
184.07344	4.3
189.09070	0.6
222.88998	0.6
231.13919	0.7
266.40207	0.6
285.11829	0.7
299.08972	1.2
426.22220	0.7
679.34021	0.7
701.36554	1.6
719.37671	5.0
761.38818	3.8
779.39813	100.0
780.39935	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	779.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
55.05502	1.0
57.03436	1.9
59.04994	0.3
60.08187	0.4
61.02932	4.7
67.05507	3.9
69.03436	3.2
69.07059	1.2
69.29127	3.0
71.01341	0.4
71.05000	0.8
73.02915	3.0
79.05502	3.8
81.03432	2.3
81.07067	4.6
83.05006	0.5
83.08614	0.6
85.02908	4.6
86.09705	1.2
87.04472	0.5
87.10007	0.3
91.03961	3.1
91.05491	2.7
93.07040	3.5
95.04989	1.0
95.08623	2.9
97.02912	3.4
97.06538	0.6
99.04453	0.7
101.02407	1.7
103.03975	0.3
105.07016	1.8
107.08609	1.3
109.02867	0.8
109.06525	0.4
109.10192	1.4
115.03927	0.5
119.08595	1.1
119.09425	0.3
121.10146	2.1
123.11732	0.5
125.00035	0.9
127.03936	1.2
129.05478	0.4
131.08589	1.1
133.10144	1.3
135.11676	0.5
147.11752	0.9
149.09650	1.3
157.10095	0.5
159.11714	0.4
165.12778	0.3
175.11263	0.5
184.07353	4.1
185.04213	0.6
185.07826	0.4
193.12308	1.0
243.08443	2.4
250.14719	0.3
267.16025	0.6
283.15216	4.7
284.15216	0.4
335.26120	0.8
339.17914	0.7
463.67773	0.3
469.21048	0.5
501.23096	6.8
519.29340	7.2
519.36975	0.6
779.45520	100.0
780.45941	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	774.5644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.1
56.05036	0.8
57.07091	0.2
58.06637	0.6
60.08169	6.0
67.05513	0.3
68.78671	0.1
69.07075	0.2
71.07375	3.3
71.26208	0.2
71.26552	0.1
79.05490	0.2
81.07063	0.4
83.08650	0.1
86.09711	30.6
87.10036	0.2
91.05481	0.1
93.07037	0.2
95.08600	0.3
97.10160	0.1
98.98471	4.0
104.10746	2.1
105.07063	0.2
116.05842	0.1
125.00014	19.7
133.10168	0.2
141.16641	0.1
143.01093	0.1
173.91692	0.1
184.07352	100.0
185.07675	0.9
298.57068	0.2
306.99048	0.1
406.11743	0.1
449.61139	0.1
602.44922	0.2
603.46661	0.1
756.55322	4.9
757.55176	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.3
55.05517	29.4
57.03442	12.6
60.08152	7.8
63.06995	4.6
65.03966	7.5
67.05185	7.2
67.05509	100.0
69.03426	12.3
69.07069	31.5
70.95067	8.9
79.05499	78.0
81.03416	12.3
81.07064	90.2
83.04986	8.6
83.08636	14.1
83.98458	5.1
85.02934	6.8
85.06543	8.6
86.09701	19.6
91.05487	51.4
93.07053	73.0
95.04965	9.2
95.08611	75.8
97.02843	5.6
97.10162	11.7
105.07034	37.7
107.08601	37.1
109.10167	33.4
117.07021	17.2
118.64769	4.4
119.08584	42.2
120.73875	4.7
120.87822	4.4
121.10150	39.9
123.08078	10.7
123.11730	9.6
124.99989	19.0
129.07048	10.1
131.08569	26.3
133.10139	24.8
135.11720	18.5
143.08578	10.1
145.10150	28.4
147.11684	20.2
149.13252	16.2
157.10095	7.3
159.11732	23.6
161.13261	12.0
163.14796	4.8
169.10103	7.7
171.11629	6.8
173.13287	18.2
175.14816	7.1
183.13263	4.6
184.07370	73.2
185.07697	12.7
185.13202	5.8
187.14856	10.1
189.12773	6.5
189.16444	7.5
197.13329	5.7
249.12262	5.4
259.20551	7.8
261.22113	17.5
311.90695	5.5
335.25742	66.4
369.24286	8.3
418.49329	5.3
613.48053	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	776.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.3
55.05511	24.7
55.17461	1.3
55.50159	1.0
57.03442	18.3
57.07075	4.4
61.02907	1.9
65.03941	2.1
67.05509	57.8
69.03435	2.7
69.07072	27.5
71.05004	4.6
71.08635	3.3
79.05495	33.6
81.03423	79.3
81.07063	64.0
82.07388	1.3
82.46745	1.2
83.04990	6.8
83.08150	2.1
83.08625	30.8
85.02920	2.1
85.06540	3.1
86.09720	3.3
89.06043	1.5
91.05484	29.6
93.07045	28.7
95.04971	26.8
95.08615	50.3
97.02908	3.5
97.06533	5.6
97.10176	9.4
99.04482	1.1
99.08087	1.9
104.58553	1.1
105.07037	21.2
107.04958	7.8
107.08589	14.3
109.06524	3.6
109.10159	19.3
110.10541	1.2
111.04448	2.6
111.08076	9.0
111.11732	2.3
113.09614	1.4
115.05449	2.1
117.07018	5.1
117.89277	1.1
119.08588	20.5
121.06512	3.4
121.10146	13.3
123.08080	4.0
123.11684	8.7
124.99911	1.6
125.09639	4.7
127.11198	1.3
128.06250	1.7
129.07034	12.0
131.08574	10.1
133.06512	3.3
133.10155	10.4
135.08087	2.5
135.11693	5.8
137.05977	1.4
137.09669	1.7
137.13258	2.6
142.07782	2.9
143.08557	1.6
145.10161	3.8
147.08070	4.2
147.11679	11.9
149.09630	4.0
149.13297	3.1
151.14845	2.8
155.08672	1.3
157.10136	10.0
159.11707	2.5
161.13277	4.8
163.11191	2.0
163.14885	1.9
165.12749	2.3
165.16345	1.7
171.11708	2.0
173.13393	1.3
175.11194	8.9
177.12657	1.4
184.07356	5.2
185.13297	1.4
187.14775	1.7
189.16422	1.8
193.12250	22.7
227.12837	2.8
235.13274	2.1
245.22656	3.6
249.14767	2.5
263.23743	5.0
267.15927	100.0
268.16360	1.8
285.17047	1.4
303.26874	1.5
309.16953	1.4
335.25763	2.5
337.27386	99.4
338.27869	3.9
403.24664	1.4
421.25708	1.8
437.34003	3.3
455.34995	5.9
473.36084	3.1
501.29861	1.4
529.38910	75.5
530.39307	4.5
547.39978	44.5
548.39941	3.0
561.41412	2.4
571.40009	5.5
584.35107	1.3
655.42322	1.4
776.42285	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	774.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.6
55.05512	20.3
57.03198	1.5
57.03444	18.3
57.07062	2.5
57.49166	1.2
65.03936	4.0
67.05508	59.8
69.03416	4.3
69.07069	13.5
69.40103	3.1
69.40509	8.9
71.04971	3.8
79.05495	47.8
80.17133	1.3
81.03420	97.5
81.07059	51.6
82.07367	2.0
83.04981	7.6
83.08620	23.9
85.06494	1.5
91.05484	36.8
93.07046	46.8
95.04972	27.7
95.08613	40.9
97.02876	2.7
97.06516	4.7
97.10174	7.6
99.08070	2.0
99.89139	1.5
105.04534	1.5
105.07034	26.8
107.04980	6.6
107.08603	24.9
109.06517	4.6
109.10156	15.2
111.04446	1.6
111.08072	6.8
115.05448	1.8
117.07026	6.9
119.08594	25.0
121.06519	2.7
121.10153	22.3
123.08048	3.0
123.11687	4.9
125.09625	2.9
129.07007	9.8
131.08559	16.8
133.06509	4.2
133.10114	14.1
135.08061	1.9
135.11678	14.8
137.09612	2.4
137.13258	1.7
142.07803	3.4
143.08562	3.9
145.10158	11.2
147.08015	4.6
147.11679	13.8
149.09605	4.7
149.13246	6.4
149.14417	1.4
157.10159	11.3
159.11719	7.7
161.09685	2.1
161.13266	4.1
163.11179	2.6
163.14786	4.5
171.11641	2.5
173.13237	6.0
175.11145	6.9
175.14845	3.7
181.10004	1.6
185.13229	2.9
187.14790	3.2
189.11200	3.4
193.12251	22.4
201.16312	2.1
205.12123	1.6
223.67509	1.3
227.12735	7.8
243.21031	4.7
249.03429	1.4
249.14746	1.8
259.13141	1.8
261.22122	15.9
267.15927	100.0
268.16357	2.0
273.14856	1.8
287.40076	1.8
301.14389	2.1
301.25317	4.9
317.24762	4.3
335.25809	82.5
336.26248	3.5
346.41183	1.4
435.27295	1.9
435.32736	4.6
453.33630	7.9
471.34729	4.1
527.37341	60.3
528.37677	3.0
545.30615	2.9
545.38403	46.2
546.38818	2.5
559.39307	2.3
569.38251	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	774.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.8
55.05516	16.6
57.03440	12.4
57.07080	2.4
60.08164	2.9
61.02935	4.0
65.03939	2.3
67.05509	62.8
69.03418	2.6
69.07072	15.9
69.30024	3.6
69.30427	8.9
71.04984	4.0
71.07370	1.3
79.05493	35.8
81.03408	3.0
81.07060	51.2
83.04971	8.5
83.08637	10.0
85.02893	4.1
85.06559	5.8
86.09727	17.3
91.05485	52.5
93.07048	38.5
94.29746	1.5
95.04993	7.7
95.08608	33.3
97.02850	2.1
97.06493	3.4
97.10174	2.8
97.35361	1.5
98.98484	1.7
102.70174	1.5
103.03913	1.7
105.07040	34.9
107.04954	2.6
107.08601	37.3
109.06510	5.9
109.10162	44.5
113.06013	2.7
115.05503	1.5
117.07020	5.4
119.08603	14.4
121.06435	1.6
121.10142	12.6
123.08069	2.8
123.11700	9.9
124.99995	12.5
125.09638	1.7
127.03873	1.4
128.06210	2.6
131.08612	8.5
133.10138	80.9
135.11673	7.2
137.09627	2.9
137.13283	1.6
143.08578	7.3
145.10126	4.7
147.11713	4.9
149.09573	2.9
149.13246	5.2
151.11191	34.7
157.10194	2.3
159.11729	3.2
161.09628	17.9
161.13274	3.1
163.14862	2.4
169.12289	8.3
173.13300	3.1
179.10689	14.7
184.07358	56.0
185.07715	3.2
197.11771	4.2
215.12764	18.6
243.21063	7.1
253.14366	19.6
254.69579	1.6
261.13275	1.9
261.22165	18.3
271.15387	8.0
280.66510	1.7
299.14960	9.2
317.15970	97.6
317.24603	4.7
318.16483	1.8
335.25818	100.0
336.26178	5.3
439.31995	1.9
531.36688	5.3
545.38397	2.0
559.35950	1.6
577.37433	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05569	1.5
54.68229	1.5
55.01865	3.7
55.05513	18.9
55.84736	1.5
57.03437	18.8
57.07072	2.3
62.43846	1.7
65.03940	2.6
67.05508	65.5
69.03429	4.1
69.07069	14.8
69.86761	7.9
71.05000	3.0
79.05492	45.0
81.03421	88.1
81.07059	61.7
83.04967	5.6
83.08626	21.3
85.02935	1.7
91.05482	39.1
93.07048	44.0
95.04970	28.3
95.08610	46.9
97.02904	2.4
97.06522	4.1
97.10162	5.7
105.07039	27.8
107.04951	4.8
107.08592	27.0
109.06540	3.8
109.10160	18.9
111.08076	7.3
115.05471	1.9
117.07003	10.2
119.08586	26.7
121.06486	4.2
121.10136	22.9
123.04453	1.9
123.08069	3.6
123.11748	7.4
125.09618	2.5
129.07030	12.5
131.08566	20.7
133.06439	2.5
133.10129	14.3
135.08110	2.3
135.11697	12.5
137.09636	1.9
137.13245	2.3
142.07797	2.2
143.08548	3.2
145.10112	10.2
147.08061	4.5
147.11694	15.3
149.09633	4.0
149.13266	6.8
157.01118	1.5
157.10188	10.9
159.11705	6.3
161.13284	4.7
163.14838	3.0
164.00499	1.4
173.13252	5.4
175.11212	6.9
175.14850	3.6
177.16389	2.6
185.13315	2.1
187.14841	4.0
189.11195	3.4
192.28395	1.6
193.12248	20.5
199.14767	2.4
227.12794	5.7
235.13284	2.3
243.21092	6.6
249.14839	2.9
259.13293	1.9
261.22153	19.4
267.15927	100.0
268.16229	2.1
301.14136	1.9
301.25284	5.9
309.16992	3.0
317.24762	4.2
335.25815	98.6
336.25983	3.0
351.18329	1.7
403.25119	2.3
421.25693	1.9
435.32614	5.1
453.33496	8.4
471.34650	4.0
477.96060	1.6
527.37354	67.3
528.37518	4.0
536.23199	1.8
545.38330	46.0
546.38879	3.4
559.39081	1.9
569.38470	5.1
742.64038	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	6.1
55.05518	60.7
65.03983	3.9
67.01863	4.9
67.05515	25.4
69.03419	4.1
69.07071	9.3
71.30835	7.7
73.52573	3.7
79.05507	24.8
81.07057	28.2
83.04988	100.0
89.98013	4.2
91.05486	30.7
92.91245	3.5
93.07053	29.0
95.04986	38.6
95.08597	12.6
105.07050	34.7
107.04951	7.4
107.08603	15.8
109.10167	6.1
115.05433	7.9
117.07005	10.8
119.04974	4.9
119.08566	16.2
121.06507	10.3
125.00058	4.7
128.06198	7.3
129.07031	20.3
131.08543	13.1
133.06538	5.5
133.10162	11.1
141.07010	11.0
142.07794	21.0
143.08539	14.8
145.06453	5.7
145.10150	11.4
147.04428	11.1
147.08119	4.2
147.11723	6.2
153.07007	4.4
155.08560	12.2
157.10104	21.9
159.04497	19.6
159.08101	7.0
159.11723	6.4
167.08588	17.6
169.10185	8.6
170.07268	7.4
171.08038	9.7
173.09706	4.7
173.13261	4.3
175.07561	4.1
175.11198	12.3
181.10103	5.4
184.07349	10.8
185.05913	4.0
185.09624	26.7
195.08026	11.3
195.79932	4.5
198.06682	6.1
199.11282	4.8
211.07324	4.3
211.14798	4.6
213.09123	38.0
227.10629	6.0
241.08534	20.3
247.77507	3.8
259.09634	17.3
321.37109	4.6
341.13861	90.6
359.14880	13.6
447.18896	4.4
449.37341	4.8
775.41699	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	774.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.8
55.05516	16.6
57.03440	12.4
57.07080	2.4
60.08164	2.9
61.02935	4.0
65.03939	2.3
67.05509	62.8
69.03418	2.6
69.07072	15.9
69.30024	3.6
69.30427	8.9
71.04984	4.0
71.07370	1.3
79.05493	35.8
81.03408	3.0
81.07060	51.2
83.04971	8.5
83.08637	10.0
85.02893	4.1
85.06559	5.8
86.09727	17.3
91.05485	52.5
93.07048	38.5
94.29746	1.5
95.04993	7.7
95.08608	33.3
97.02850	2.1
97.06493	3.4
97.10174	2.8
97.35361	1.5
98.98484	1.7
102.70174	1.5
103.03913	1.7
105.07040	34.9
107.04954	2.6
107.08601	37.3
109.06510	5.9
109.10162	44.5
113.06013	2.7
115.05503	1.5
117.07020	5.4
119.08603	14.4
121.06435	1.6
121.10142	12.6
123.08069	2.8
123.11700	9.9
124.99995	12.5
125.09638	1.7
127.03873	1.4
128.06210	2.6
131.08612	8.5
133.10138	80.9
135.11673	7.2
137.09627	2.9
137.13283	1.6
143.08578	7.3
145.10126	4.7
147.11713	4.9
149.09573	2.9
149.13246	5.2
151.11191	34.7
157.10194	2.3
159.11729	3.2
161.09628	17.9
161.13274	3.1
163.14862	2.4
169.12289	8.3
173.13300	3.1
179.10689	14.7
184.07358	56.0
185.07715	3.2
197.11771	4.2
215.12764	18.6
243.21063	7.1
253.14366	19.6
254.69579	1.6
261.13275	1.9
261.22165	18.3
271.15387	8.0
280.66510	1.7
299.14960	9.2
317.15970	97.6
317.24603	4.7
318.16483	1.8
335.25818	100.0
336.26178	5.3
439.31995	1.9
531.36688	5.3
545.38397	2.0
559.35950	1.6
577.37433	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
55.05515	56.3
65.03951	1.3
66.12856	1.6
67.05516	7.9
69.03420	5.4
69.07071	2.2
71.04985	1.8
71.51203	2.0
76.40618	1.2
79.05506	11.1
81.03404	1.7
81.07067	9.1
83.04984	100.0
84.63684	1.3
91.05483	13.4
93.07040	8.5
95.04977	6.6
95.08618	2.8
97.02850	2.5
97.06528	2.1
103.05475	1.5
105.07025	10.7
106.58263	1.4
107.04958	2.9
107.08582	5.9
107.58856	1.4
109.06545	1.9
109.10177	2.3
115.05470	3.5
117.07025	8.1
119.04972	2.7
119.08616	7.1
119.11748	1.2
121.06496	5.0
121.10178	1.5
123.04458	1.8
127.11220	1.6
128.06233	5.8
129.07005	11.0
131.04926	1.7
131.08566	7.8
133.06577	2.7
133.10136	3.7
135.04417	3.3
135.11684	2.1
137.06017	2.3
141.06992	7.9
142.07779	4.4
143.08585	11.9
145.06531	6.3
145.10152	5.6
147.08054	4.4
147.11714	2.3
149.06067	1.9
151.07504	1.5
153.07004	4.2
154.07758	6.7
154.14999	1.5
155.08533	5.3
157.06496	3.8
157.10146	5.9
159.04420	2.3
159.08022	11.7
159.11729	4.4
161.06010	2.5
161.09665	2.9
161.13184	1.4
165.06953	3.7
166.07808	4.5
167.08551	4.7
169.06425	1.6
169.10112	13.3
171.08072	6.2
171.11646	3.0
173.06052	2.6
173.09656	4.8
175.07574	3.2
175.11072	1.7
179.08574	3.3
181.10118	9.6
182.07329	3.2
184.07349	4.7
185.05939	2.1
185.09677	7.1
187.07521	22.0
187.11160	3.3
189.09064	1.8
197.09666	12.6
199.07545	2.7
199.11211	6.6
201.09033	1.6
203.10686	4.8
213.09163	5.4
215.07004	1.8
215.10739	10.0
217.08672	2.1
217.12172	1.6
225.09119	9.4
227.10713	8.5
231.10242	3.0
241.08505	3.0
243.10219	17.5
245.11763	20.2
246.11955	1.6
259.09680	20.8
259.20514	1.8
261.11249	32.1
277.10721	2.0
279.12253	3.4
301.16614	1.9
325.14374	1.9
341.13812	7.4
343.15436	5.0
359.14957	2.6
361.16461	55.5
362.16580	2.6
541.35468	1.9
559.36206	1.7
674.19641	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	31.9
57.03454	15.2
57.07071	3.8
61.02913	11.6
61.26071	2.7
65.03932	4.1
67.05508	86.3
69.03428	12.9
69.07071	28.7
71.01344	3.6
71.05006	4.8
73.02919	4.8
79.05502	68.7
81.03419	8.8
81.07064	78.1
83.04982	3.2
83.08626	11.5
85.02922	10.9
85.06569	3.6
86.09754	3.0
91.03963	9.2
91.05482	62.4
93.07049	76.4
95.04972	7.3
95.08610	69.9
95.95697	2.8
97.02884	11.1
97.06551	4.3
97.10160	3.8
98.20766	9.5
105.07036	54.5
107.04989	5.4
107.08592	39.9
109.06518	4.4
109.10166	30.3
117.07043	22.9
117.97812	3.3
119.08585	48.1
121.06497	5.1
121.10141	33.7
121.19932	2.8
121.45409	2.7
123.08066	6.2
123.11672	6.5
129.06989	18.5
131.08582	36.1
133.06496	3.9
133.10146	44.2
135.08070	5.2
135.11702	24.9
141.07033	4.1
142.07751	3.7
143.08580	20.8
145.10130	34.9
147.11707	32.0
149.09579	3.4
149.13268	14.3
152.08705	3.1
155.08565	7.3
157.10153	18.1
159.11678	31.0
161.13269	28.2
163.11227	3.5
163.14772	4.4
167.08688	4.1
169.10147	12.9
171.11729	21.0
173.13316	18.7
175.14844	10.7
181.10126	6.8
183.11685	8.5
184.07428	6.9
185.13295	11.8
187.14775	7.9
195.11725	6.1
197.13364	7.5
199.14879	11.5
209.13191	7.3
211.14842	5.1
221.13107	5.0
229.19524	4.1
231.17625	3.3
231.21092	3.3
239.17990	4.7
241.19615	19.2
257.19067	4.3
259.20554	42.8
261.22162	9.4
273.22272	3.8
275.20319	3.0
277.21707	4.5
301.21634	4.0
315.23080	4.2
325.21283	3.2
333.24316	21.5
335.25836	57.3
351.25134	3.9
367.22751	6.4
462.62506	3.0
519.42004	5.9
529.39685	3.0
541.38513	3.6
567.35522	3.3
593.45178	7.0
601.44385	5.5
611.46747	100.0
612.46973	5.6
635.47473	3.1
737.49127	4.6
755.50360	6.3
773.51422	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	773.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96656	2.1
55.01847	3.9
55.05517	32.6
57.03447	16.7
57.07072	5.4
61.02706	1.8
61.02930	20.8
65.03932	6.4
67.05508	98.2
69.03427	12.3
69.07069	31.7
70.07410	2.4
71.05000	6.2
71.08625	2.4
73.02910	9.6
77.03961	2.3
78.37971	2.6
79.05495	84.1
79.67280	2.0
81.03407	7.5
81.07061	95.6
83.04964	5.2
83.08636	16.6
85.02912	12.6
85.06560	3.6
86.09704	6.3
91.03946	5.8
91.05487	66.4
93.07046	85.9
95.04969	13.5
95.08613	69.7
97.02898	14.4
97.06533	6.5
97.10159	6.1
101.02375	2.9
103.05440	3.8
105.04527	3.9
105.07039	64.4
106.07311	2.6
107.04943	5.1
107.08596	51.5
109.06510	7.1
109.10154	27.3
111.08095	4.7
115.05459	5.6
117.07030	29.3
119.08591	58.8
121.06492	3.7
121.10155	33.3
123.08061	3.6
123.11720	8.3
124.99963	4.4
128.06210	5.5
129.05457	2.2
129.07011	18.1
131.08575	43.7
133.06436	2.7
133.10139	46.4
135.11716	22.6
137.09622	2.7
137.13200	3.6
139.11197	2.7
141.06987	5.5
142.07692	3.1
143.08566	18.7
145.06537	2.5
145.10138	35.3
147.08015	2.8
147.11694	35.0
149.13274	14.4
154.07716	2.6
155.08560	11.6
157.10150	16.8
159.11703	35.3
161.09604	2.7
161.13289	27.0
163.11258	3.0
163.14816	5.7
169.10193	12.1
171.11729	22.1
173.13281	24.9
175.14822	12.3
181.10146	4.8
183.11670	7.8
184.07416	12.7
185.13278	16.5
187.14822	9.6
191.14214	2.8
195.11618	4.6
197.13290	8.0
199.14842	10.7
201.16364	3.8
209.13205	3.8
211.14825	6.0
213.16457	6.1
215.18008	3.6
225.16318	5.5
229.49768	2.8
239.18037	3.7
241.19533	17.2
243.21158	4.3
257.19031	7.4
259.20572	42.4
261.22186	9.1
273.22241	2.3
277.21667	2.8
300.27921	2.5
301.21625	5.5
315.23135	5.8
323.23712	3.0
333.24265	30.1
335.25824	63.5
336.26288	3.2
339.23181	2.6
343.22958	2.6
367.22656	5.9
385.23331	4.0
403.24841	4.8
459.27222	4.0
503.37088	3.2
519.41803	7.4
571.88538	2.8
586.83405	2.6
593.45459	10.8
609.44867	5.1
611.46686	100.0
612.46680	7.6
647.08813	2.8
683.31842	2.6
701.47711	4.2
719.48907	2.9
755.50641	5.6
773.50482	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	772.5489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62477	0.1
55.05516	0.5
56.05038	1.0
57.07072	0.3
58.06365	0.2
58.06638	0.4
60.08167	6.4
67.05503	0.6
69.07064	0.4
70.90132	0.4
71.07378	3.7
71.08623	0.3
74.09745	0.2
75.15586	0.1
79.05512	0.7
81.07076	0.7
83.04994	0.2
83.08627	0.3
86.09711	31.2
87.10030	0.2
91.05487	0.3
93.07054	0.4
93.54772	0.1
95.05006	0.3
95.08614	0.5
97.10165	0.3
98.98470	3.7
104.10754	1.9
105.07019	0.3
107.08614	0.3
109.10178	0.2
121.10210	0.2
125.00011	20.8
131.08644	0.2
139.03896	0.5
140.75362	0.1
177.07220	0.1
183.34468	0.1
184.07347	100.0
185.07767	0.8
185.09254	0.2
229.08656	0.4
241.08664	0.3
291.19373	0.2
297.51419	0.1
322.27481	0.3
496.33203	0.3
601.44556	0.5
611.46271	0.2
690.76074	0.2
754.53864	3.8
755.53381	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	772.5491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.6
56.05032	0.9
57.07075	0.3
58.06624	0.6
59.51007	0.2
60.08167	7.2
67.05515	0.6
69.07067	0.4
70.06577	0.2
71.07378	4.6
71.08627	0.2
71.51124	0.4
81.07053	0.6
83.08642	0.3
86.09711	37.1
91.05473	0.4
93.07048	0.4
95.08614	0.3
98.48051	0.2
98.98472	4.9
104.10754	3.2
107.08594	0.3
109.10175	0.3
110.06059	0.5
110.07166	1.0
119.08531	0.3
121.10194	0.2
125.00014	25.4
151.44093	0.3
175.80128	0.2
184.07350	100.0
185.07677	1.2
218.48880	0.2
496.34229	0.3
527.40222	0.2
754.53595	0.4
772.54816	6.5
773.55127	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.5
55.05265	2.5
55.05511	29.1
57.03429	18.0
57.07069	2.6
58.06581	1.8
59.04996	4.3
60.08148	2.8
61.02922	8.6
65.03934	6.0
67.05507	82.7
68.05823	2.3
69.03419	7.0
69.07069	23.2
69.30059	14.0
71.01357	4.4
71.04989	10.1
71.08604	2.3
73.02917	3.7
77.03947	1.8
78.70765	1.5
79.05494	86.4
81.03419	32.3
81.07056	74.5
82.07381	2.3
83.01333	3.5
83.04984	21.1
83.08627	14.6
85.02909	13.4
85.06047	1.4
85.06541	6.2
86.09709	16.5
87.04475	4.5
91.03959	4.3
91.05481	55.2
92.05792	2.1
93.07045	78.4
95.04965	17.8
95.08609	57.2
97.02890	17.7
97.06527	17.9
97.10157	8.5
98.03210	1.9
98.98473	1.8
99.04443	4.8
99.08097	2.0
103.05467	3.0
104.07091	2.0
105.04532	1.8
105.07037	29.5
107.04960	21.1
107.08597	43.3
108.08875	2.3
109.02858	2.0
109.06518	13.1
109.10151	23.7
111.04440	35.6
111.08065	7.5
111.11755	2.9
112.99362	1.8
113.05994	1.7
115.05458	3.5
116.06223	1.6
117.07018	25.2
118.08662	3.3
119.08580	29.1
121.06508	11.6
121.10144	34.4
123.04445	2.1
123.08096	10.8
123.11692	5.9
124.99993	11.0
125.05978	7.5
125.09612	5.1
129.06990	7.1
130.07747	2.4
131.04939	2.2
131.08569	25.7
132.08762	1.6
133.10115	14.1
135.08017	5.9
135.11702	29.2
137.09615	4.8
137.13264	1.7
139.07552	2.4
141.06958	1.9
142.07689	2.2
143.08543	5.7
145.06447	3.8
145.10127	35.5
146.10464	1.6
147.08031	6.6
147.11693	8.7
149.09579	3.8
149.13268	6.0
153.12735	11.3
155.08560	8.6
157.10126	6.7
159.08075	1.9
159.11688	7.3
161.13289	6.3
163.11177	41.5
163.14772	2.7
165.09216	1.9
169.10095	3.8
171.11746	4.7
173.09599	10.8
173.13251	5.4
175.14853	2.6
177.12726	1.8
181.10100	1.8
181.12263	7.8
183.11691	4.8
184.07347	44.9
184.08975	2.2
184.12105	2.5
185.13226	3.1
187.14761	2.7
189.11206	2.4
191.10727	12.5
195.11627	2.1
197.13373	2.4
199.14857	2.1
209.11674	22.1
209.13298	2.7
211.14868	3.1
223.13306	30.2
227.12793	16.1
241.14351	58.5
243.21019	5.6
259.15323	2.1
259.20563	2.7
261.19708	1.4
261.22202	9.0
265.14423	5.9
283.15430	28.1
297.16782	2.3
299.23694	2.0
315.18021	77.4
316.18289	3.3
317.24744	3.9
333.24023	2.3
335.25806	100.0
336.26260	3.4
415.29468	1.8
433.30475	2.4
451.31982	5.0
469.33154	3.4
515.37061	2.1
525.35809	14.5
543.36829	73.0
544.36890	4.3
575.39392	65.1
576.39478	5.7
609.44757	5.3
610.45367	26.9
611.46075	1.8
640.29645	1.9
772.51526	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	772.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	7.0
55.05273	2.0
55.05514	22.9
57.03436	14.4
57.07084	2.2
59.04978	2.5
60.08168	2.6
61.02926	7.7
65.03928	4.0
67.05508	67.6
69.03426	5.2
69.07074	20.4
71.01363	3.1
71.04992	5.4
71.51407	1.8
73.02914	3.5
74.78646	1.2
77.03905	1.7
79.05497	59.5
80.05821	2.1
81.03423	26.6
81.03909	0.9
81.07058	64.7
83.01334	2.1
83.04984	13.6
83.08622	10.0
85.02914	11.4
85.06535	4.0
86.09707	11.0
87.04435	1.7
91.03951	2.9
91.05482	35.0
91.70570	1.5
92.05836	1.4
93.07050	60.6
93.07646	2.9
94.07384	1.7
95.01324	1.4
95.04979	11.3
95.08611	47.7
97.02900	12.0
97.06512	11.0
97.10183	5.0
98.98488	2.0
99.04387	2.5
99.08093	1.8
105.04471	1.4
105.06394	2.1
105.07045	25.0
107.04961	14.5
107.08598	34.5
109.06529	8.1
109.10153	18.9
111.04444	23.2
111.08083	5.9
113.06054	1.5
113.90146	1.2
115.05464	2.2
117.07019	17.2
119.08588	21.9
120.56150	1.2
121.06512	6.1
121.10143	26.2
122.10499	1.7
123.08061	5.4
123.11700	4.3
124.99995	9.1
125.05983	5.6
125.09631	3.7
129.06976	6.0
130.07805	2.0
131.08575	15.4
133.10138	11.5
135.08067	4.2
135.11699	19.2
137.09613	3.3
141.06956	1.6
143.08533	4.9
145.06477	3.1
145.10127	28.1
147.08038	3.5
147.11713	6.3
149.09608	2.6
149.13255	5.7
153.12791	8.6
155.08519	4.1
157.10161	4.1
159.11674	5.9
161.13271	3.5
163.11174	26.8
169.10144	2.2
171.11697	3.5
173.09666	7.6
173.13268	5.7
177.12704	1.5
181.10059	1.3
181.12267	4.5
182.10625	1.7
183.11722	3.4
184.07355	37.6
184.09006	1.8
185.13242	2.7
187.14896	2.2
189.11211	1.6
191.10648	8.5
195.11710	1.5
195.13849	2.0
197.13240	2.3
199.14832	2.3
201.12669	1.3
209.11642	11.7
211.14883	2.0
223.13261	19.7
227.12779	10.9
241.14352	30.0
243.21094	2.7
259.20624	2.3
261.22101	9.1
265.14221	6.6
275.20068	2.4
283.15448	19.2
297.16760	1.6
315.18024	43.3
317.24911	2.3
333.24176	2.4
335.25821	100.0
336.26129	5.2
416.89035	1.4
433.30933	1.6
441.05780	1.3
451.32193	4.2
469.33698	2.3
515.37842	1.4
525.35809	11.2
543.36859	60.3
544.37250	2.4
546.38202	1.6
575.39435	93.9
576.39618	4.8
609.44824	3.6
610.45410	26.0
772.51703	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	772.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.2
55.05515	66.8
57.03430	3.7
57.07079	1.3
60.16569	1.3
65.03954	7.8
67.01865	2.2
67.05505	10.7
69.03420	4.5
69.07069	3.2
71.50439	1.7
79.05499	12.4
81.03413	3.4
81.07053	11.2
83.04988	100.0
83.08607	3.0
84.05289	1.2
86.47818	1.1
91.05496	18.2
93.03418	4.4
93.07046	10.4
95.01347	1.3
95.04983	12.0
95.08594	8.0
97.02878	1.7
97.06527	1.5
103.05465	4.1
105.07034	14.7
107.04948	5.2
107.08617	6.7
107.59619	1.2
109.02895	1.4
109.06497	3.5
109.10155	3.2
115.05450	5.0
117.07021	7.8
119.04947	2.2
119.08576	7.2
121.02890	7.6
121.06474	4.9
121.10131	3.6
123.08065	3.1
128.06255	7.5
129.07005	12.2
129.31923	1.3
131.04947	2.9
131.08546	8.5
133.06541	9.1
133.10120	3.2
135.04413	2.9
135.08086	1.6
135.11685	3.8
137.05943	1.8
141.07001	9.9
142.07820	11.3
143.08554	7.8
145.06471	5.3
145.10123	9.1
147.04430	1.6
147.08035	4.1
147.11725	1.6
149.09668	1.8
152.06232	5.0
153.06984	5.7
154.07823	8.2
155.08566	10.3
156.09270	1.7
157.06516	4.8
157.10132	10.8
158.07249	1.5
159.04402	5.2
159.08037	4.6
159.11633	2.0
161.05980	18.9
161.09563	2.3
163.11159	4.9
165.05614	1.6
165.07005	4.4
166.07777	3.4
167.08549	7.2
169.06480	1.6
169.10139	12.7
170.07271	3.3
171.08156	6.5
171.09459	1.4
171.11595	2.2
173.05963	4.3
173.09592	5.6
175.07494	1.7
175.11182	5.3
179.08580	2.1
181.06506	2.2
181.10139	9.7
182.07220	3.2
183.08044	2.5
184.07339	3.0
185.05992	1.8
185.09604	15.4
187.07593	2.7
187.11198	4.0
189.09073	2.7
193.12251	2.4
195.08092	6.0
197.06062	1.9
197.09648	11.1
199.07539	4.5
199.11227	2.0
201.09134	8.5
211.13191	2.3
213.09134	17.8
215.10681	6.3
217.08669	2.5
223.07524	3.4
225.09085	5.2
227.12701	8.4
231.10059	1.8
241.08623	15.0
243.10196	32.1
249.11375	2.0
259.09659	5.7
261.11151	12.7
275.19983	2.1
277.10748	2.6
283.15408	5.8
291.19638	5.0
313.14221	2.0
341.13840	43.8
342.14151	2.4
343.15326	4.9
349.23630	1.8
359.14691	1.9
361.16473	26.1
437.25397	2.6
517.31635	1.7
557.34723	4.8
575.35815	2.6
713.27399	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.9
55.05513	67.2
57.03433	1.0
58.26738	0.7
65.03943	1.6
67.01852	2.6
67.05511	5.8
69.03415	2.2
69.07054	1.3
71.51154	0.8
71.51516	0.8
72.08112	0.9
76.47173	0.8
79.05493	6.1
81.03397	2.0
81.07059	4.4
83.04982	100.0
84.05299	1.5
84.08142	0.8
85.02905	1.0
86.09697	1.4
91.05479	10.3
93.07051	7.5
95.01298	1.0
95.04971	14.1
95.08592	3.1
97.06548	1.7
99.04485	0.8
103.05470	1.3
105.06471	0.8
105.07037	7.8
105.12936	0.8
107.04968	4.2
107.08585	3.0
109.02859	1.1
109.06515	1.1
109.10147	1.2
111.04465	1.3
115.05424	4.0
117.07040	5.4
119.04886	0.9
119.08557	5.2
121.06530	5.5
123.04427	1.3
124.99998	1.0
128.06218	4.7
129.07019	9.8
130.07753	1.1
131.08580	5.2
133.06458	1.5
135.04381	3.5
135.08037	2.6
135.11699	1.9
137.05969	2.1
141.06985	7.7
142.07788	7.7
143.08586	7.6
144.05702	0.9
145.06496	5.8
145.10121	4.0
147.04384	2.8
147.08057	2.5
149.05994	1.6
149.09619	0.9
151.07507	0.9
152.06216	3.0
153.01784	1.2
153.06970	3.5
154.07782	5.7
155.08568	4.9
157.06473	2.0
157.10146	7.5
158.07289	1.3
159.04478	4.1
159.08075	5.3
159.11638	2.0
161.05977	1.4
161.09625	1.9
163.03920	1.1
163.07544	1.1
163.11162	2.1
165.06978	2.7
166.07668	1.3
167.08565	6.9
169.06583	1.7
169.10141	8.2
170.07230	2.7
171.08049	5.1
171.11623	1.1
173.05934	3.0
173.09624	3.5
175.07578	2.0
175.11147	3.3
177.05518	1.0
178.07736	0.9
179.08539	1.8
181.06561	1.0
181.10037	1.5
182.07265	2.5
183.07976	2.3
184.07312	4.8
185.05980	1.1
185.09598	12.7
187.07574	4.6
187.11172	2.4
189.09119	2.6
195.08066	4.2
197.09628	8.4
198.06758	1.2
199.07521	4.0
199.11140	1.5
201.09050	1.8
203.10759	2.0
213.09123	17.3
215.07036	2.2
215.10652	3.2
217.08543	1.2
221.13275	0.9
223.07536	2.0
223.11052	1.0
225.09042	4.4
227.10684	1.9
227.12836	2.7
229.08659	0.9
231.10164	3.2
241.08580	12.9
243.10191	9.3
245.08096	1.6
245.11702	2.9
259.09653	37.2
260.10025	1.5
261.11301	1.9
275.20099	1.6
283.15421	1.5
295.13229	1.0
313.14139	3.2
323.12762	1.4
341.13843	59.6
342.14044	2.3
343.15424	8.1
349.23734	1.3
359.14883	7.0
361.16278	2.3
451.20554	0.9
501.18652	1.3
557.34259	2.5
575.35254	1.2
798.00592	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.8
55.05517	67.6
57.59319	1.1
58.23833	1.1
60.49818	1.0
64.13323	1.1
65.03931	1.7
67.01885	1.7
67.05514	7.8
67.85662	1.2
69.03426	3.2
71.02366	2.5
72.91397	1.2
79.05503	5.9
81.03401	3.0
81.07054	3.6
83.04988	100.0
84.05333	1.6
85.02934	1.2
85.06556	1.8
91.05482	10.6
91.67397	1.2
93.03439	1.8
93.07039	8.0
95.04960	15.5
95.08614	2.1
97.06559	2.6
103.05462	2.2
105.07044	11.0
107.04974	6.3
107.08595	3.4
109.06569	2.5
109.10164	1.5
115.05469	5.1
117.07033	7.9
119.04967	3.4
119.08607	4.6
121.06544	7.8
123.04406	3.4
123.08028	1.5
128.06268	9.4
129.07010	9.8
131.04926	1.9
131.08545	6.6
133.06509	7.3
133.10185	1.6
135.04451	4.6
135.08081	2.2
141.06993	6.8
142.07811	9.2
143.08577	11.4
145.06490	7.1
145.10114	4.0
146.07246	2.1
147.04417	2.9
147.08049	3.7
147.11688	1.6
149.05957	2.5
152.06244	3.7
153.01746	1.6
153.06975	4.8
154.07758	7.4
155.08565	5.5
157.06474	3.5
157.10150	9.2
158.07347	1.5
159.04463	4.4
159.08025	7.6
161.06018	2.4
161.09654	1.6
163.03911	2.1
163.07578	1.5
165.05640	3.0
165.06975	2.4
167.08566	7.5
169.06506	2.0
169.10153	9.3
170.07260	3.4
171.08080	10.3
172.08916	1.3
173.05980	2.4
173.09578	3.2
175.07628	2.6
175.11232	4.0
177.05560	1.6
179.07062	1.9
179.08588	3.5
182.07245	1.8
183.08044	3.4
184.07362	2.1
185.09634	13.5
187.07576	5.2
187.11185	3.3
189.09143	2.9
195.08105	6.0
197.09581	8.4
198.06587	1.6
199.07564	5.4
201.09100	4.7
203.10667	1.8
211.07535	2.4
213.09132	19.6
215.10736	12.7
217.08607	3.8
225.09103	5.5
229.08617	3.2
231.10240	4.2
241.08647	13.7
243.10201	13.7
259.06982	2.3
259.09689	45.2
260.10117	1.4
261.11249	10.5
277.10715	1.9
313.14395	2.0
341.13889	36.0
359.14877	7.7
361.16299	1.8
455.18829	1.4
537.21686	1.3
676.93781	1.3
789.14044	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51738	0.8
55.01862	2.0
55.05510	13.7
57.03441	6.9
57.07071	1.9
60.08164	1.0
61.02932	10.9
64.84653	0.7
65.03931	3.4
67.05507	28.4
69.03436	8.7
69.07076	11.1
70.68282	2.2
71.01363	1.2
71.04989	2.8
73.02925	6.8
73.38441	0.8
78.94192	0.9
79.05497	25.3
79.05951	0.8
81.03420	10.5
81.06596	1.7
81.07059	29.3
81.30663	0.9
83.04974	4.8
83.08627	6.7
85.02913	11.9
85.06524	2.0
85.21254	0.8
86.09708	1.8
87.04442	1.3
91.03967	6.2
91.04456	0.8
91.05482	23.3
93.06486	1.6
93.07047	25.0
95.04977	4.8
95.05483	1.0
95.08611	23.7
97.02893	12.3
97.06535	2.8
97.10177	2.5
99.04466	1.6
99.08120	0.9
101.02392	1.6
105.07034	20.9
107.04942	2.5
107.08591	13.4
109.02856	3.0
109.06502	3.3
109.10159	12.1
111.08046	2.0
115.05439	1.6
117.07018	11.0
119.08586	15.1
121.06532	2.2
121.10149	12.2
123.04408	1.3
123.11715	3.9
124.99944	1.4
125.09615	2.2
127.03951	4.3
128.06244	3.3
129.07008	9.6
131.08566	15.9
133.06477	1.1
133.10135	11.7
135.08058	2.0
135.11687	6.4
137.09668	1.4
137.13245	1.4
141.06969	4.6
142.07790	2.8
143.08566	12.3
144.09325	1.0
145.10129	16.4
147.08084	1.4
147.11710	6.9
149.09637	2.2
149.13274	2.8
153.01741	1.0
153.06984	0.9
154.07751	1.5
155.08551	10.7
156.09241	2.4
157.10138	12.3
159.11691	8.9
161.13271	2.8
163.14742	1.1
165.06975	1.6
167.08626	5.0
168.09402	1.3
169.10124	11.1
170.10794	2.1
171.11717	11.3
173.04437	2.6
173.13287	7.0
175.11293	1.0
175.14827	2.2
177.16447	1.1
179.08492	1.3
180.09280	1.2
181.10101	6.1
183.11696	12.3
184.07318	5.5
184.12480	1.5
185.13235	6.8
187.14830	3.5
189.16463	1.5
193.10162	3.5
193.12225	1.7
194.10876	1.2
195.11722	6.0
197.13243	10.4
199.14851	5.2
201.16383	1.5
206.10802	1.0
207.11687	3.6
209.13341	6.3
210.13774	1.2
211.13081	1.8
211.14825	5.3
213.16342	3.9
219.11758	1.0
221.13379	4.2
223.14835	6.5
225.16377	4.4
227.18007	1.8
231.17374	1.0
235.14799	2.4
237.16376	3.7
239.17972	2.7
240.86069	1.0
241.19601	1.2
249.16243	1.2
251.17995	1.7
253.19595	1.4
257.19006	1.9
259.20724	1.4
261.22079	1.8
263.17947	1.0
265.19443	1.4
267.15909	1.0
267.21350	1.2
275.20068	2.7
283.20517	1.6
309.22028	1.2
311.23645	1.0
323.23578	1.4
335.26038	5.0
337.25180	1.7
339.23148	1.3
349.24585	0.9
353.24780	1.0
367.26367	1.2
381.27841	1.0
433.30212	1.1
435.32385	2.0
449.34833	1.0
501.35965	1.1
515.37708	1.0
517.40399	6.6
525.35291	0.9
527.37421	4.8
535.41962	1.6
541.38940	1.8
545.38159	6.6
591.44110	7.0
607.43237	2.9
609.45123	100.0
610.45355	6.2
621.44702	2.1
633.45392	1.2
651.46027	2.2
694.02332	1.1
699.44983	1.2
735.48230	1.9
753.48950	3.0
771.50549	21.9
772.50714	2.0
790.58099	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
55.05516	9.6
57.03451	5.2
57.07084	1.4
61.02935	16.6
65.03922	2.1
66.67424	1.0
67.05177	1.8
67.05510	22.2
69.03432	7.5
69.07074	8.7
69.20846	0.9
71.01373	3.9
71.05009	1.1
73.02930	9.0
75.51363	0.9
79.05502	14.1
81.03433	4.2
81.07065	21.6
83.04989	1.9
83.08636	4.5
85.02913	15.5
85.06537	1.1
88.77879	0.9
91.03960	7.0
91.05488	13.7
93.07067	14.8
95.04977	1.6
95.08610	17.0
97.02907	11.0
97.06541	1.7
97.10159	2.3
99.04465	1.2
101.02369	2.2
105.07052	13.3
107.08588	10.1
109.02951	1.1
109.10183	7.1
115.05499	1.1
117.07028	8.7
119.08588	13.5
121.10171	6.2
123.11723	2.0
127.03929	2.8
128.06236	2.6
129.06985	8.0
130.82523	1.0
131.08589	11.5
133.10139	8.9
135.11714	4.4
137.13225	0.9
141.06970	4.9
142.07806	3.0
143.08556	10.7
145.10153	13.5
147.11743	4.9
149.13306	1.9
154.07748	1.7
155.08563	10.6
157.10130	11.9
158.10864	1.2
159.11711	8.1
161.13266	2.1
163.57942	1.1
165.07097	2.0
167.08582	5.1
168.09355	2.1
169.10139	12.1
170.10689	1.3
171.11693	9.1
173.09747	1.1
173.11763	1.2
173.13295	4.5
174.24075	1.0
175.14838	1.2
179.08595	2.3
180.09398	1.2
181.10193	7.1
183.11676	10.6
184.07318	1.2
185.13316	8.1
187.14879	3.3
193.10149	2.7
194.10809	1.2
195.11693	7.4
197.13315	7.3
199.14882	4.8
201.16426	1.7
205.10042	1.4
207.11722	3.4
209.13278	7.1
211.14842	4.5
213.16438	2.6
219.11661	1.2
221.13409	2.1
223.14879	4.4
225.16495	3.3
227.18079	1.9
233.13394	1.2
235.14806	2.2
237.16402	3.2
239.18007	1.8
249.16393	1.3
251.18077	1.9
261.16260	1.2
265.19580	1.9
266.49405	1.1
277.19492	1.3
363.26489	1.1
385.28656	1.0
393.27420	1.2
439.14145	1.0
447.32294	1.1
449.33862	1.4
501.35947	1.2
517.40735	6.9
518.66632	1.0
535.41522	3.2
539.37146	2.3
541.39752	1.2
548.95197	1.1
573.42920	1.2
591.44183	6.6
607.43317	1.7
609.45172	100.0
610.45630	8.0
611.46649	1.5
621.45410	1.4
753.48956	1.7
771.50391	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	771.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01807	1.2
55.02037	0.7
55.05421	9.6
55.05716	2.5
57.03340	4.0
57.07002	1.3
61.02827	13.8
61.03178	3.0
62.41729	0.7
65.03866	1.0
67.05403	17.3
67.05801	3.1
69.03326	7.5
69.03729	1.2
69.06967	8.0
69.07371	1.2
69.15602	6.5
71.01295	0.9
71.04923	1.6
73.02807	6.4
79.05379	15.0
79.05893	1.7
81.03297	3.6
81.06943	20.6
81.07475	2.6
83.04873	2.0
83.08499	4.1
85.02785	11.0
85.03339	1.3
85.06462	1.1
85.09497	0.6
86.09619	0.7
91.03830	5.6
91.05363	14.1
93.06920	13.6
95.04861	1.8
95.08479	18.2
95.09471	0.8
97.02769	10.4
97.06412	2.0
97.10040	2.7
98.21454	1.6
99.04367	1.5
101.02259	3.0
105.06900	13.5
107.04881	0.8
107.08466	9.6
109.02805	0.8
109.06448	1.5
109.10022	6.7
111.04344	1.0
111.08004	1.4
115.05317	2.0
117.06886	7.5
117.07765	1.4
119.08588	11.9
121.06362	0.7
121.10144	7.1
123.07951	2.0
123.11601	1.7
125.09531	1.1
127.03783	2.3
128.06197	3.0
129.06999	8.5
130.07654	1.1
131.08578	11.9
133.10136	7.3
135.11693	3.6
137.13229	0.7
141.06989	3.6
142.07628	2.2
143.08571	12.5
145.04893	0.6
145.10129	10.1
147.11723	4.7
149.13132	2.3
151.14740	0.7
153.01749	1.4
153.06952	1.3
154.07632	1.5
155.08562	10.4
156.09224	1.3
157.10123	12.2
158.10756	0.7
159.11705	9.8
161.13127	2.5
165.06865	1.3
166.07724	0.6
167.08585	4.7
168.09247	1.2
169.10136	13.0
170.10785	1.0
171.07950	0.7
171.11681	9.2
173.13257	4.9
175.11197	0.7
175.14673	1.3
179.08459	1.6
181.10129	5.9
182.10785	1.5
183.11700	12.7
184.07225	2.7
184.12280	1.0
185.13266	5.9
187.14687	2.9
189.16287	0.8
192.09233	0.7
193.09991	2.9
195.11699	7.1
196.12427	1.2
196.67697	0.6
197.13277	8.4
199.13121	0.7
199.14856	4.0
201.16396	0.9
205.10146	0.8
207.11719	3.0
209.13327	6.0
211.14835	5.8
213.16272	2.6
221.13101	2.8
223.14912	3.4
225.16328	4.3
227.17810	2.1
233.13239	0.9
235.14684	2.5
237.16333	2.4
239.17805	2.3
249.16174	1.3
251.17757	1.8
253.19534	1.2
255.17142	0.7
263.17798	1.0
267.20950	1.2
275.20114	0.9
277.19263	1.0
297.21988	1.0
299.20013	0.8
309.22089	0.7
311.20065	0.7
311.23538	1.2
319.20563	0.7
321.21930	1.4
323.23563	0.7
335.25922	0.8
337.25201	1.3
351.26907	1.0
357.98438	0.8
389.27664	0.7
433.30896	0.7
435.32788	1.1
447.32184	0.9
461.33725	0.9
487.34149	0.7
499.39746	1.2
501.35764	1.6
515.37775	1.1
517.40735	6.3
521.36407	0.8
525.35480	1.0
527.37598	1.5
535.41522	2.7
539.37732	1.5
553.39423	0.8
555.40314	0.9
557.54639	0.8
573.42450	1.1
591.44116	6.5
607.43524	2.4
609.45160	100.0
610.45477	7.6
621.45050	1.2
633.44922	0.8
643.41870	0.8
651.45526	0.8
695.20142	0.8
699.46582	0.7
717.47729	1.1
753.48767	1.1
771.50476	21.8
772.50830	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	771.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.6
55.05280	2.5
55.05518	39.9
57.03447	13.3
57.07076	5.8
58.84730	2.7
61.02921	3.3
65.03929	6.2
67.05511	92.6
68.99786	2.9
69.03429	25.6
69.07072	32.4
70.75313	7.2
71.04976	7.9
73.02921	3.3
79.05497	85.5
81.03420	54.4
81.06593	5.0
81.07062	100.0
83.04990	17.0
83.08620	18.8
85.02892	11.3
85.06539	4.3
91.05489	76.9
93.07048	75.6
94.14237	2.3
95.04949	12.9
95.08617	73.0
97.02906	16.8
97.06526	11.4
97.10161	10.6
99.04441	7.2
103.05486	2.9
105.04520	4.5
105.07039	57.6
107.04961	10.6
107.08598	45.7
109.02890	12.1
109.06518	12.5
109.10165	31.9
111.04425	3.8
111.08061	4.6
115.05380	3.9
117.07021	28.1
119.08583	48.0
121.06477	4.8
121.10148	36.9
123.08064	7.2
123.11707	13.3
127.03915	17.6
128.06189	5.3
129.05528	3.6
129.06989	12.6
131.08582	38.6
131.48506	2.5
133.06514	5.0
133.10139	36.6
135.08067	8.3
135.11705	17.7
137.09610	5.1
141.06978	4.4
143.08574	16.4
145.06473	6.0
145.10135	29.3
145.11198	4.5
147.08061	4.4
147.11684	22.7
149.09654	6.8
149.13283	9.9
151.11151	2.9
154.07768	2.7
155.08586	8.1
157.10139	15.9
159.08022	3.6
159.11699	23.9
161.09573	7.0
161.13277	10.6
161.73816	2.5
163.11168	5.2
163.14813	3.9
165.12804	4.1
167.08487	5.0
169.10123	8.5
171.08138	3.4
171.11690	11.5
173.04503	15.0
173.09604	6.3
173.13266	12.0
175.14763	4.2
177.12772	5.6
179.08534	3.6
181.10109	7.3
183.11681	11.3
184.07341	4.7
185.09567	5.3
185.13240	5.7
187.11169	4.0
187.14833	7.1
195.11638	5.7
197.13330	6.3
199.14885	6.7
201.16516	3.0
211.11212	3.9
219.17358	3.0
239.17996	4.7
247.20625	3.9
257.18985	11.1
259.20541	5.3
261.22141	6.7
267.10211	7.0
275.20129	34.5
277.21573	4.1
293.08127	4.4
293.21112	3.8
301.21704	3.7
331.22818	5.0
335.25894	27.6
339.55142	2.7
349.23880	13.2
369.24051	4.6
419.44437	2.7
529.39136	4.9
545.37946	4.1
609.45276	33.4
617.37738	4.7
635.39038	8.6
653.39728	5.5
671.41675	16.4
673.42633	4.9
753.48615	5.0
771.51190	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	771.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.0
55.05516	14.2
57.03439	5.6
57.07080	1.7
61.02936	12.7
61.84615	1.0
65.03947	2.1
67.05513	28.8
69.03443	9.6
69.07078	12.8
71.01362	1.1
71.05009	2.0
73.02931	8.1
79.05501	22.5
81.03433	7.0
81.06590	1.7
81.07063	28.8
83.04982	3.6
83.08632	7.9
85.02912	12.5
85.06553	1.6
91.03974	6.9
91.05492	18.9
93.07056	21.4
95.04981	5.0
95.08617	23.9
96.59117	0.9
97.02911	11.9
97.06530	1.8
97.10184	3.6
98.21585	1.7
99.04466	1.7
101.02410	1.8
105.07047	19.3
107.04959	2.3
107.08601	15.0
109.02891	2.3
109.06507	2.7
109.10165	9.9
111.11773	1.5
113.09679	0.9
113.82346	1.0
115.05486	1.7
116.06255	1.0
117.07019	12.0
118.14514	1.0
119.08592	16.3
121.06506	1.1
121.10159	12.2
123.08080	2.2
123.11705	3.4
125.09628	2.2
127.03927	4.6
128.06253	2.9
129.07040	10.9
131.08580	15.2
133.10156	10.7
135.08058	2.5
135.11714	5.5
139.11211	1.3
141.07027	5.7
142.07777	3.1
143.08568	12.8
145.10130	13.0
147.11726	7.2
149.09660	1.4
149.13272	2.0
151.11229	1.4
153.01779	1.7
155.08565	10.9
156.09381	2.0
156.13367	1.0
157.10115	12.4
159.11708	10.2
161.09676	1.6
161.13278	3.5
163.11253	1.3
163.14929	2.1
166.07802	1.3
167.08583	3.8
168.09401	1.6
169.10152	11.3
170.10811	1.2
171.11690	9.9
173.04527	1.5
173.13254	6.8
175.14821	3.0
179.08525	2.4
180.09431	1.1
181.10173	7.7
183.11749	12.3
184.07356	2.6
185.09750	1.0
185.13332	6.8
187.14844	3.5
189.16432	1.0
193.10159	2.7
193.12053	1.0
194.10918	1.3
195.11729	7.7
196.12643	1.1
197.13257	9.0
199.14839	4.5
201.16319	1.7
207.11743	3.9
209.13277	5.7
211.14842	4.6
213.12886	1.0
213.16412	3.0
215.18015	1.4
219.11758	2.0
221.13268	1.9
223.14841	3.8
225.16435	3.1
227.12756	1.2
227.17993	2.5
233.13358	1.7
235.14906	2.3
237.12674	1.2
237.16415	3.2
239.17978	2.5
241.19630	1.5
243.17206	1.1
247.14772	1.0
247.20663	0.9
249.16376	1.9
251.17989	1.4
255.17294	1.4
257.18900	2.2
261.16397	1.1
263.17987	1.3
265.19632	1.6
275.20111	3.4
281.18820	1.2
285.21857	1.2
287.20044	1.0
297.22064	1.1
311.23718	1.5
325.25296	1.2
335.26175	4.5
337.25339	1.3
339.23160	1.7
349.23911	1.1
351.27032	1.9
353.24857	1.4
363.26984	1.1
402.88770	1.2
421.30911	1.2
513.35632	1.1
517.40564	7.6
527.37170	2.8
535.41174	2.3
539.37183	1.3
545.38416	2.2
553.41760	1.6
573.42810	1.1
591.44031	6.3
607.43262	3.1
609.45178	100.0
610.45599	5.3
621.44543	1.7
675.46332	1.5
687.48413	1.2
717.46051	1.4
735.49524	2.2
753.49176	2.2
771.36438	1.1
771.50336	22.1
772.51154	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.5
55.05517	20.1
57.03450	6.1
57.07076	2.2
61.02919	3.8
65.03941	13.9
67.05509	32.5
68.72487	1.1
69.03093	1.1
69.03435	13.6
69.06786	1.0
69.07072	12.3
69.85777	2.1
69.86193	3.3
71.01345	1.7
71.05000	3.3
73.02902	3.6
76.16306	1.0
78.72041	1.1
79.01855	1.4
79.05499	28.9
81.03424	17.2
81.07062	30.3
83.04997	12.7
83.08627	7.8
85.02913	9.3
91.03936	1.9
91.05485	32.7
93.03422	1.1
93.06480	1.9
93.07047	26.4
95.04974	6.4
95.08614	25.7
97.02891	10.6
97.06519	4.3
97.10177	3.4
98.20852	1.6
99.04437	3.7
101.02376	1.3
103.05463	2.1
105.04483	1.4
105.07036	23.7
107.04951	4.7
107.08598	14.8
109.02881	4.6
109.06509	3.7
109.10181	9.6
111.04441	3.1
111.08072	1.9
112.16486	1.1
115.05467	3.6
116.06343	1.0
117.07025	13.8
119.08595	18.2
121.02848	3.2
121.06510	3.7
121.10146	12.0
123.04417	2.1
123.08064	3.1
123.11691	2.2
125.09661	1.4
127.03915	4.9
128.06235	4.4
129.05478	2.2
129.07021	8.3
130.07762	1.8
131.04942	1.6
131.08582	16.4
133.06512	2.9
133.10129	13.3
135.04437	1.2
135.08073	3.0
135.11690	5.8
137.09631	1.9
139.03885	3.2
141.07030	6.4
142.07774	2.3
143.08569	12.9
145.06506	2.8
145.10144	13.6
147.04492	1.2
147.08041	1.8
147.11696	8.0
149.02361	89.6
149.03448	8.4
149.09592	2.2
149.13326	3.0
150.02681	3.4
151.11209	1.4
151.46399	1.1
153.06993	3.1
154.07753	1.7
155.08557	9.8
157.06458	2.0
157.10141	11.1
159.08072	1.6
159.11702	10.2
160.71909	1.0
161.09647	1.6
161.13280	3.3
163.03955	1.8
163.11215	1.8
165.06985	3.5
166.07825	2.1
167.08582	7.1
168.09306	1.4
169.10139	10.7
171.08107	1.8
171.11688	7.6
173.04546	6.0
173.05920	1.8
173.09645	2.1
173.13268	5.7
175.03981	1.5
175.07607	1.4
175.11267	2.2
175.14752	1.6
177.05513	1.3
178.07791	1.7
179.08580	4.0
180.09325	2.2
181.10130	8.5
183.11694	8.9
184.07452	1.6
185.09663	3.0
185.13242	5.2
187.11194	2.0
187.14845	2.1
191.07066	1.9
191.08624	1.4
192.09499	1.2
193.04984	100.0
193.10071	5.7
194.05301	4.1
194.07018	1.3
195.08064	3.0
195.11729	7.4
197.09607	2.9
197.13277	6.1
199.11139	1.9
199.14803	3.5
201.09285	1.2
201.16339	1.7
205.10159	1.2
207.11781	4.0
209.09718	2.0
209.13315	5.5
211.11064	1.1
211.14868	3.7
213.09167	1.2
213.12779	1.2
219.06548	1.6
219.11824	1.2
219.17480	1.8
221.13217	3.9
223.11162	2.1
223.14854	3.5
225.12793	1.5
225.16461	2.2
227.18108	1.7
233.13246	2.3
235.14822	3.6
237.09174	1.7
237.16400	1.6
239.17999	3.0
241.08618	1.3
249.16367	1.9
257.18951	1.5
259.20667	2.5
263.07169	1.3
265.08542	1.9
275.20166	5.9
279.20944	1.4
281.18158	1.0
301.21790	1.4
315.23239	1.6
325.21915	1.4
341.06570	2.2
349.10278	1.2
349.24533	1.4
351.23032	1.4
353.28421	1.3
359.07874	1.2
367.11801	2.0
367.22647	2.1
375.26627	1.1
385.09061	4.7
398.07803	1.5
445.30679	1.6
460.96216	1.2
513.35358	1.4
515.38702	2.6
525.92749	1.2
533.39319	2.0
537.36041	1.4
551.41223	1.8
589.42133	1.3
597.36005	1.5
605.41541	1.3
607.43555	37.4
608.43628	3.4
615.36768	2.9
633.37872	2.3
651.39020	8.6
653.40759	1.3
669.39374	3.1
671.40692	1.6
704.14789	1.2
715.45911	2.3
733.46252	2.9
751.46021	4.1
769.17902	9.1
769.35571	1.0
769.48975	19.4
770.17780	2.2
770.47937	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	73.4
56.05840	4.7
62.89508	1.6
65.03912	2.2
65.09816	1.8
67.05513	2.6
79.05511	4.4
81.07034	4.1
83.04987	100.0
83.65875	1.6
84.05309	6.9
85.06529	1.9
91.05478	16.4
93.07059	4.4
95.04964	7.6
97.02915	1.9
103.05495	2.0
105.07014	5.2
109.12680	1.7
115.05473	3.0
117.07021	3.2
119.04976	3.4
121.06532	4.2
123.04456	1.7
128.06230	8.5
129.07001	5.8
131.08548	4.0
133.06511	2.3
135.04448	3.8
135.05475	1.8
135.08006	2.0
137.05995	3.3
141.07027	10.5
142.07657	3.8
143.08658	8.3
145.06522	3.3
145.10132	2.4
147.08060	3.1
152.06197	2.2
153.06961	4.5
154.07813	10.8
155.08514	3.5
161.06023	2.8
162.06366	2.1
165.05527	3.4
165.06920	2.3
167.08586	4.3
169.10147	10.6
170.10443	3.6
171.08075	5.5
173.05894	1.8
173.09653	4.3
175.11208	2.0
179.08551	6.2
182.07298	3.9
185.09619	6.2
187.11218	2.5
189.09061	3.0
195.08083	3.3
197.09624	14.2
198.09979	2.8
199.11278	2.0
201.09076	4.1
213.09140	7.4
215.07237	2.4
215.10683	6.9
216.11009	3.0
225.09114	8.4
226.09398	3.0
241.08636	7.2
241.82205	2.0
243.10182	27.9
244.10484	6.0
259.09750	5.4
261.11240	6.1
262.11536	2.6
275.12677	3.9
276.12970	3.1
341.13843	19.3
343.11572	2.9
343.15445	42.2
344.15939	10.5
345.15921	3.0
352.30322	2.0
365.37985	2.0
403.73093	1.8
533.22186	2.1
592.50360	2.1
701.28577	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	769.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67159	1.4
55.01862	2.3
55.05517	62.6
65.03926	6.0
67.01865	2.3
67.05499	5.7
69.03417	3.7
71.50755	1.6
71.51186	2.0
72.22044	1.3
73.51461	1.4
79.05473	7.7
81.03427	3.1
81.07056	5.8
83.04989	100.0
85.02907	2.3
85.06535	2.2
91.05486	17.0
93.07053	9.1
95.04983	20.7
95.39164	1.3
97.06526	2.2
98.02634	1.3
103.05455	2.7
105.07034	10.7
107.04948	5.8
107.08594	3.3
109.06509	3.1
111.04424	1.9
115.05444	6.0
117.07013	4.5
119.08575	6.1
121.02845	2.8
121.06512	6.3
121.10139	1.6
123.04496	2.0
123.08025	2.1
127.11189	2.3
128.06241	8.7
129.07013	11.2
131.04826	1.5
131.08563	3.6
133.06493	2.1
133.10118	1.8
135.04404	3.2
135.08043	3.3
137.05956	2.3
141.07018	9.1
142.07809	12.3
143.08606	10.0
145.06483	5.1
145.10085	4.1
147.04419	4.9
147.08029	3.9
149.02373	30.4
149.03474	3.3
151.07602	1.5
152.06221	4.1
153.06972	4.6
154.07787	7.9
155.08566	7.3
156.09225	2.1
157.06532	4.7
157.10158	8.7
159.04413	6.1
159.08040	3.4
159.11674	1.9
161.06010	3.0
163.07553	2.1
165.05515	1.7
165.07037	2.9
166.07742	1.5
167.08560	7.5
167.87529	1.8
169.06537	2.8
169.10118	9.7
170.07294	2.1
171.08049	6.5
171.11671	2.6
173.05989	1.9
173.09573	3.5
175.07532	2.4
175.11148	2.7
177.09120	2.2
178.07755	1.6
179.08495	2.7
181.10103	3.4
182.07368	2.3
183.08046	2.5
185.09634	15.8
187.07553	3.1
187.11217	2.5
189.09053	1.8
193.04991	35.0
193.07578	1.7
195.08040	5.1
197.09615	13.0
198.06784	2.7
199.07423	2.7
199.11174	5.3
201.09135	2.2
203.10620	2.5
213.09123	22.2
215.07011	1.9
215.10718	5.9
217.08698	1.5
217.12158	1.7
225.09055	6.4
229.08568	2.1
229.97313	1.5
231.10133	3.1
241.08748	9.6
243.10220	12.8
245.11693	3.4
249.14896	4.8
258.93149	1.3
259.09683	14.3
261.11221	2.7
275.12817	3.4
277.14359	4.8
313.14252	3.0
341.13861	18.1
343.15417	25.6
343.32129	1.5
344.15762	2.0
362.22919	1.5
401.36142	1.5
503.69806	1.4
508.12201	1.4
562.12927	1.5
769.17230	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.7
55.75859	0.3
57.07051	1.1
65.03922	0.4
67.05510	3.9
69.07079	4.8
70.16191	0.7
71.08616	0.7
78.19646	0.2
79.05083	0.2
79.05502	3.8
81.07067	3.3
83.08241	0.2
83.08627	2.4
91.05493	2.1
93.07062	3.4
95.04955	0.5
95.08609	2.3
97.10186	1.9
104.99283	2.0
105.04493	0.3
105.07020	1.2
107.08597	1.4
109.10131	0.7
111.11717	0.5
115.03674	1.6
117.06997	0.4
118.12474	0.2
119.08606	0.6
120.96615	0.8
121.10167	1.1
131.08566	0.7
133.10104	0.6
135.11662	0.6
149.13271	0.3
174.98555	0.3
176.99245	3.6
186.99561	0.5
190.28668	0.3
195.00317	100.0
196.00693	0.6
198.97444	0.8
213.00111	0.4
268.99854	0.8
350.00879	0.2
437.20688	0.4
487.24475	0.7
505.24777	0.3
511.24634	0.5
529.25293	0.3
571.47247	4.4
593.45428	20.1
594.45996	1.2
611.46307	1.2
765.46802	9.8
766.47021	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.9
55.05513	68.1
56.05842	2.3
56.37462	1.0
59.04987	1.7
62.06758	0.9
65.03934	1.2
67.05500	2.7
69.03442	6.3
69.07082	1.3
71.04984	1.0
71.51337	1.7
79.05497	5.6
81.03432	1.3
81.07053	3.7
83.04981	100.0
84.05315	3.2
85.02874	1.3
85.06564	5.7
91.05481	14.0
93.03423	1.3
93.07076	5.6
95.04972	8.2
97.02891	3.6
97.06516	1.5
97.84595	1.1
99.08103	2.6
103.05463	3.1
105.07042	10.8
107.04951	4.0
107.08548	1.1
109.06490	2.2
115.05455	4.6
117.07009	6.5
119.04951	4.4
119.08584	4.4
121.06502	7.5
123.04433	2.0
123.08031	2.0
128.06213	7.9
129.07030	10.1
131.04980	1.4
131.08577	5.4
133.06491	2.9
135.04427	4.0
135.08046	3.1
137.05978	1.8
137.79703	1.0
141.07011	9.7
142.07771	2.4
143.08551	10.4
144.05656	1.0
145.06483	4.4
145.10129	4.6
147.04427	1.5
147.08061	5.0
149.06044	2.1
151.03751	1.0
152.06174	1.2
153.06995	4.6
154.07759	11.8
155.06024	1.3
155.08583	7.1
157.06502	2.6
157.10225	1.2
158.07213	1.1
159.08037	3.7
159.11710	2.8
161.06020	3.9
161.09663	1.8
165.05498	3.1
165.07028	3.2
166.07806	1.9
167.08614	2.3
169.06487	1.8
169.10112	17.8
171.08080	6.1
171.11678	1.9
172.08786	1.4
173.06001	2.3
173.09631	6.5
175.07591	2.2
177.05449	1.7
178.07788	1.9
179.08546	7.4
181.06490	1.6
181.10141	2.8
182.07272	5.3
183.08034	4.2
184.08910	1.3
185.09598	2.2
187.07513	2.0
187.11200	6.6
189.09184	2.0
197.09586	23.3
198.10178	1.7
199.07549	2.2
199.11189	4.0
201.09129	5.2
207.08049	1.5
213.09129	1.6
215.10675	14.7
217.08577	1.2
225.09117	13.5
227.10640	1.8
229.12294	3.0
233.11726	2.1
241.08537	2.2
243.10181	31.4
244.10460	1.5
245.11816	2.3
247.13254	1.9
257.11707	3.9
259.09473	1.6
261.11227	12.3
275.12793	17.9
277.14127	1.2
343.15411	50.0
343.77188	1.0
359.15530	1.1
454.95755	1.0
464.69153	1.1
635.27844	1.9
703.30811	1.5
735.33496	1.4
767.34613	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
55.05508	1.8
57.03429	1.9
61.02931	6.6
65.03933	0.5
67.05512	5.4
69.03430	3.9
69.07063	1.7
71.04998	1.0
73.02927	4.4
79.05502	3.9
81.03438	3.3
81.07060	5.5
83.04998	1.1
83.08633	1.5
91.03986	2.8
91.05499	3.8
93.07055	4.9
95.04998	1.3
95.08621	3.7
97.02894	4.7
99.04477	1.5
101.01811	0.4
101.02352	2.5
103.03952	0.6
105.07021	2.3
107.08630	2.5
109.02880	0.5
109.06519	0.6
109.10163	1.4
117.07090	0.7
119.08604	1.8
121.10144	3.3
127.03941	2.0
127.11242	0.7
131.08601	1.8
133.10130	1.1
135.11737	1.1
139.11235	0.7
145.05028	0.8
145.10152	1.2
147.11710	0.7
149.09666	1.0
151.95396	0.5
157.10175	0.8
163.23254	0.6
173.13240	0.6
184.07341	2.6
185.04282	0.7
192.29446	0.4
193.12297	1.3
229.84892	0.6
231.13792	0.7
232.13741	0.6
243.08487	2.2
251.12665	0.8
269.13696	2.3
335.25845	0.9
443.18738	3.1
469.20657	2.1
487.21594	3.5
519.29395	8.7
520.29657	0.6
603.40729	2.6
656.47827	0.6
721.41357	1.4
747.43292	2.5
765.43994	100.0
766.44342	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	765.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.6
55.05514	70.8
55.76114	0.6
59.04997	1.7
65.03941	2.3
67.05500	2.2
69.03418	1.7
75.04494	0.5
76.71886	0.5
79.05506	3.2
81.03416	0.9
81.07075	1.3
83.04986	100.0
84.05317	0.9
85.06545	4.7
91.05482	9.5
93.03410	1.1
93.06541	0.5
93.07014	2.7
95.04976	7.0
97.02930	1.0
97.06546	1.0
99.08105	0.9
103.05463	1.9
105.07038	5.8
107.04942	2.0
107.08553	0.9
109.02863	0.8
109.06493	1.6
111.08098	1.1
115.05464	3.4
116.06257	0.9
117.07037	3.9
119.04954	2.0
119.08598	1.9
121.02878	0.8
121.06499	2.4
123.04427	1.0
123.08099	0.9
125.06004	1.5
128.06233	5.3
129.07007	6.4
130.07764	0.7
131.04886	0.8
131.07715	0.5
131.08536	3.3
133.06467	2.7
135.04427	1.7
135.08057	1.2
137.05997	1.5
141.07007	4.7
142.07774	2.5
143.08530	4.2
145.06525	3.1
145.10095	1.7
146.07314	0.5
147.04401	0.7
147.08032	3.0
149.05946	1.7
149.09560	0.6
151.07567	1.2
152.06184	1.8
153.07001	4.4
154.07779	5.2
155.08595	5.1
156.09315	0.7
157.06490	2.4
157.10107	2.3
158.07237	1.2
159.04385	1.8
159.08060	3.8
159.11659	0.8
161.06000	5.8
161.09586	1.1
163.03838	0.6
163.07549	1.2
164.69388	0.5
165.05559	1.2
165.06970	2.9
165.09009	0.6
166.07802	1.5
167.08609	2.6
168.05753	0.7
169.06476	1.5
169.10162	7.4
169.68930	0.5
171.08022	2.4
171.11617	1.0
172.08838	0.8
173.05954	2.4
173.09627	3.5
175.07526	2.2
177.19749	0.6
178.07805	1.3
179.08549	2.6
181.06419	0.9
181.10085	1.4
182.07274	1.6
183.08043	3.1
184.08708	0.8
185.05901	1.3
185.09648	2.8
187.07581	7.7
187.11180	2.5
189.09036	1.0
193.08379	0.6
193.10078	0.6
195.08009	1.9
195.11681	0.5
197.05977	1.0
197.09619	8.5
199.07506	2.1
199.11119	1.3
201.05396	0.6
201.09084	4.1
202.07768	0.7
203.06873	0.7
203.10516	0.6
205.10149	0.7
206.10509	0.6
209.06042	0.5
209.09576	0.7
211.07520	2.4
213.09117	3.4
215.10645	6.3
217.08510	1.3
223.07504	0.8
225.09099	6.0
227.10692	1.0
229.12209	1.4
229.24510	0.8
231.10077	1.0
233.11792	0.7
239.06924	1.1
241.08591	2.4
243.10161	15.9
255.10223	0.6
257.11673	1.9
259.09622	2.0
261.11237	1.3
265.08667	0.6
273.11172	2.3
275.12897	4.1
291.12192	0.6
313.12213	0.8
335.12711	0.6
343.15430	15.8
344.15494	1.0
373.16522	0.7
425.16873	0.8
441.87256	0.7
455.18509	0.8
473.18982	0.6
483.18021	0.6
485.20242	1.1
503.19861	1.0
505.21121	0.6
533.20874	1.8
565.23517	0.7
633.25940	1.5
665.28564	1.3
733.31061	1.5
765.34619	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91733	1.0
55.01865	1.3
58.40392	0.8
63.40572	0.8
65.03919	2.0
67.05499	2.2
69.03425	2.4
69.48215	6.8
71.29412	1.1
79.05490	2.4
81.03403	3.0
81.07060	1.4
85.02898	4.2
91.05482	5.7
94.04215	1.5
95.04968	4.1
97.06563	1.1
98.20786	2.1
103.05478	21.2
105.03387	1.5
105.07029	3.8
107.04967	4.7
108.02083	1.8
109.02898	1.4
109.06516	2.0
111.04454	1.1
115.05454	4.0
117.07014	2.4
117.68066	1.1
118.04150	3.8
119.04984	7.1
121.06539	2.0
122.03642	4.3
123.04430	2.7
125.05982	3.7
127.03919	1.8
128.06215	1.2
129.07019	2.3
130.02043	1.0
131.04948	40.2
131.08580	0.9
133.02866	4.7
133.06517	4.5
133.10196	1.2
135.08058	2.2
137.05994	71.2
138.06444	1.0
141.05507	1.1
143.04907	2.6
145.06479	4.0
146.03606	1.0
147.04434	6.4
147.08066	1.5
148.05222	9.7
149.05972	2.8
151.03926	84.4
151.05034	5.5
151.07523	2.0
153.05478	3.9
156.11443	1.1
157.06490	2.8
160.05209	2.3
161.05983	4.4
163.07564	26.4
165.05487	5.7
165.09187	1.1
167.07043	8.9
173.06017	3.9
175.07549	10.0
176.04703	1.8
177.05476	3.3
177.09157	2.8
179.07071	5.6
181.04976	22.9
187.07610	4.6
189.05490	2.1
189.09155	2.9
191.07050	100.0
192.07443	1.9
193.08618	2.7
195.06531	1.3
203.07018	4.5
205.06709	2.2
205.08620	6.7
207.10182	1.2
209.06299	1.1
209.08020	4.7
215.07005	2.1
217.08557	2.5
219.08203	1.6
219.10118	2.3
221.07997	1.1
223.09627	2.1
233.08076	4.7
235.09697	5.0
237.09134	2.3
249.09079	2.3
263.06552	1.9
263.09155	20.3
265.08606	2.0
267.10107	2.2
277.08563	2.6
293.07983	1.7
295.09628	3.0
309.11301	1.3
312.09799	1.2
325.10587	1.9
327.12213	3.8
329.13974	1.5
337.10724	2.4
339.12250	1.7
341.13641	2.3
351.12527	1.9
355.11728	10.1
357.13406	2.1
359.14774	1.7
369.13397	8.2
387.14444	53.9
517.18616	1.6
549.20898	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.01861	0.6
55.05516	2.4
57.03439	1.8
61.02930	6.3
65.90392	0.5
67.05510	6.0
69.03433	3.1
69.07069	1.2
69.91607	2.3
71.04996	2.4
73.02914	3.8
76.37846	0.4
79.05489	4.9
81.03426	1.9
81.07053	6.2
83.04967	1.2
83.08630	0.8
85.02907	5.7
91.03953	3.7
91.05497	3.4
93.07058	3.9
95.08611	4.6
97.02886	5.1
97.06562	0.6
99.04469	1.4
101.02379	2.2
105.06416	0.4
105.07008	2.3
107.08575	2.6
109.06570	0.5
109.10186	2.2
115.03967	0.4
117.07043	1.0
119.08582	1.1
121.10165	1.6
123.11741	1.1
127.03935	1.8
131.08611	1.3
133.10141	2.4
135.11690	1.1
149.09659	0.5
149.13277	1.0
159.11748	0.8
162.19777	0.4
201.16261	0.6
210.97578	0.5
243.08455	1.7
267.15640	2.1
335.25925	0.5
485.23602	4.7
519.29315	9.3
763.46051	100.0
764.46454	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	763.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.05507	2.5
57.03437	1.8
61.02931	4.2
67.05508	7.3
69.03423	2.7
69.07058	1.2
70.81467	1.8
71.05007	2.1
73.02924	3.1
73.27710	0.7
79.05484	3.8
81.03427	1.9
81.07056	8.4
83.04986	1.5
83.08613	1.4
85.02906	5.3
91.03961	3.3
91.05488	3.5
93.07040	4.7
95.05009	0.9
95.08628	4.6
96.27409	0.7
97.02894	4.0
97.06544	0.8
99.04466	1.1
101.02379	1.3
105.07046	3.6
105.67097	0.7
107.08619	4.7
109.10155	2.5
117.07080	1.0
119.08594	2.3
121.10164	1.9
127.03931	1.7
131.08600	1.4
133.10162	2.4
145.10123	1.9
149.13318	1.7
159.11761	1.3
243.08432	1.2
260.20825	0.8
267.15884	1.9
485.23767	5.0
519.29297	7.9
638.27380	0.9
713.33679	1.3
763.46063	100.0
764.46356	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	764.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91733	1.0
55.01865	1.3
58.40392	0.8
63.40572	0.8
65.03919	2.0
67.05499	2.2
69.03425	2.4
69.48215	6.8
71.29412	1.1
79.05490	2.4
81.03403	3.0
81.07060	1.4
85.02898	4.2
91.05482	5.7
94.04215	1.5
95.04968	4.1
97.06563	1.1
98.20786	2.1
103.05478	21.2
105.03387	1.5
105.07029	3.8
107.04967	4.7
108.02083	1.8
109.02898	1.4
109.06516	2.0
111.04454	1.1
115.05454	4.0
117.07014	2.4
117.68066	1.1
118.04150	3.8
119.04984	7.1
121.06539	2.0
122.03642	4.3
123.04430	2.7
125.05982	3.7
127.03919	1.8
128.06215	1.2
129.07019	2.3
130.02043	1.0
131.04948	40.2
131.08580	0.9
133.02866	4.7
133.06517	4.5
133.10196	1.2
135.08058	2.2
137.05994	71.2
138.06444	1.0
141.05507	1.1
143.04907	2.6
145.06479	4.0
146.03606	1.0
147.04434	6.4
147.08066	1.5
148.05222	9.7
149.05972	2.8
151.03926	84.4
151.05034	5.5
151.07523	2.0
153.05478	3.9
156.11443	1.1
157.06490	2.8
160.05209	2.3
161.05983	4.4
163.07564	26.4
165.05487	5.7
165.09187	1.1
167.07043	8.9
173.06017	3.9
175.07549	10.0
176.04703	1.8
177.05476	3.3
177.09157	2.8
179.07071	5.6
181.04976	22.9
187.07610	4.6
189.05490	2.1
189.09155	2.9
191.07050	100.0
192.07443	1.9
193.08618	2.7
195.06531	1.3
203.07018	4.5
205.06709	2.2
205.08620	6.7
207.10182	1.2
209.06299	1.1
209.08020	4.7
215.07005	2.1
217.08557	2.5
219.08203	1.6
219.10118	2.3
221.07997	1.1
223.09627	2.1
233.08076	4.7
235.09697	5.0
237.09134	2.3
249.09079	2.3
263.06552	1.9
263.09155	20.3
265.08606	2.0
267.10107	2.2
277.08563	2.6
293.07983	1.7
295.09628	3.0
309.11301	1.3
312.09799	1.2
325.10587	1.9
327.12213	3.8
329.13974	1.5
337.10724	2.4
339.12250	1.7
341.13641	2.3
351.12527	1.9
355.11728	10.1
357.13406	2.1
359.14774	1.7
369.13397	8.2
387.14444	53.9
517.18616	1.6
549.20898	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.05507	1.9
57.03439	1.8
57.07080	1.3
61.02648	0.7
61.02932	7.6
67.05503	6.8
69.03439	4.5
69.07064	1.7
71.05011	1.2
71.52198	0.8
73.02924	5.2
79.05495	5.7
81.03424	2.4
81.07064	6.6
83.05010	0.7
83.08625	1.2
85.02917	6.8
86.09724	1.0
87.10062	0.5
89.06043	2.3
91.03971	2.9
91.05476	3.0
93.07041	7.2
95.04976	0.8
95.08617	5.6
97.02907	6.3
97.06571	0.6
99.04466	1.6
101.02377	2.7
105.07028	2.5
107.04964	1.3
107.08599	4.0
109.02895	1.2
109.06561	0.8
109.10143	1.2
113.06024	0.7
117.07027	1.4
119.08601	2.2
121.06555	0.9
121.10134	2.7
122.07270	0.6
125.00005	0.8
127.03954	1.6
127.59965	0.6
131.08575	1.3
133.08641	0.8
133.10197	0.7
135.11688	4.5
144.97598	0.5
145.06471	0.6
145.10115	2.6
147.11736	0.7
163.11174	5.3
173.09615	0.7
181.12341	0.7
184.07335	3.1
185.04265	0.6
203.05290	0.7
227.12872	1.9
243.08408	2.9
249.11040	7.3
267.12158	1.0
285.11902	0.8
305.13708	1.6
335.26138	1.1
347.45282	0.5
458.08249	0.5
467.18973	8.7
467.25333	0.8
485.20004	5.1
509.65442	0.6
519.29309	6.3
583.36035	0.8
745.41327	39.4
746.41803	2.1
763.42365	100.0
764.42688	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	763.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.05486	1.6
56.05009	0.9
57.03424	1.4
60.08169	6.3
60.81683	0.6
60.82977	0.6
61.02937	4.7
65.88867	0.6
67.05509	6.1
69.03408	2.4
69.07045	1.8
71.04972	0.9
71.07346	2.6
73.02893	3.0
79.05495	3.7
79.68486	0.6
81.03397	2.4
81.07053	5.8
83.04968	1.0
83.08621	1.2
85.02924	4.7
86.09710	32.0
87.04461	0.9
87.10037	3.8
89.57805	0.7
91.03936	3.1
91.05451	2.6
93.07047	4.2
95.08581	3.0
97.02906	4.6
97.06501	0.9
98.98486	3.2
101.02345	2.1
104.10753	1.6
105.07030	1.5
107.08591	2.2
109.02855	1.3
109.10106	1.6
110.80441	0.7
117.07005	0.8
119.08579	1.6
120.85153	0.8
121.06538	0.7
121.10111	1.0
125.00018	21.0
126.00317	1.3
127.03869	1.5
127.11172	2.2
133.10146	1.0
135.11681	1.7
137.05992	0.9
145.10048	1.1
148.81506	0.7
161.05994	0.8
163.11063	0.7
184.07355	100.0
185.07695	13.2
231.13770	0.8
267.16022	0.9
284.97668	0.7
338.27887	0.8
411.20297	0.9
413.17960	2.0
485.20029	2.2
519.29236	7.2
530.39484	0.8
713.46155	5.6
719.44592	0.9
763.42334	81.4
764.43054	4.0
779.60327	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01876	0.8
55.05517	2.3
57.03434	2.8
59.88270	0.6
61.02929	8.2
65.03944	0.6
67.05502	8.5
69.03430	4.5
69.07068	2.0
71.01353	0.8
71.04978	1.6
71.52065	0.8
71.52488	1.0
73.02918	6.3
79.05495	7.7
81.03414	3.8
81.07064	7.6
83.04990	1.4
83.08620	1.4
85.02906	9.2
86.09707	3.2
87.04477	0.8
91.03966	5.4
91.05488	5.4
93.07047	8.1
95.04976	0.8
95.08601	6.8
97.02895	7.0
97.06551	1.4
99.04459	1.8
100.61477	0.6
101.02398	3.1
105.07069	2.4
107.04948	0.8
107.08600	3.7
108.03474	0.6
109.02889	1.4
109.10185	3.7
115.03970	1.2
117.07050	1.8
119.08607	2.3
119.82201	0.8
121.10160	3.1
125.00045	1.2
127.03953	2.7
131.08586	1.5
133.10158	1.9
135.11694	3.9
137.06084	0.7
145.10147	2.6
147.11781	1.1
149.93990	0.7
159.11728	0.7
163.11240	2.0
179.11740	0.7
184.07361	10.1
185.04272	1.1
203.05348	0.9
220.81174	0.8
227.12848	1.2
243.08420	3.1
243.48372	0.8
249.11015	9.5
250.05301	0.9
267.12198	1.1
271.13226	0.8
305.13702	1.3
307.59320	0.7
335.25986	1.5
338.38391	0.9
467.18826	4.5
485.19928	2.7
519.29291	11.1
602.40399	2.4
745.41241	43.1
746.41571	2.5
763.42395	100.0
764.42975	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	760.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01865	1.8
55.05513	9.4
57.03441	6.8
57.07062	1.1
60.08159	4.5
67.05507	24.4
69.07075	6.9
69.97919	4.3
71.04998	1.9
71.07381	3.9
72.95488	0.8
74.78403	0.8
77.03922	1.0
79.05495	14.8
79.05920	1.5
81.03419	30.3
81.07062	26.5
83.04986	3.2
83.08617	7.6
84.02260	1.0
85.06535	1.3
86.09715	30.7
86.10250	1.6
91.05484	15.0
93.07050	16.8
94.07395	0.7
95.04975	9.9
95.08614	17.1
96.08953	0.9
97.02898	2.0
97.06564	2.0
97.10150	2.2
98.98475	2.2
100.22283	0.8
102.79658	0.8
104.10773	1.8
105.07027	11.3
107.04973	2.4
107.08598	10.5
109.06508	1.8
109.10164	6.4
111.08084	1.4
117.07019	3.4
119.07743	1.2
119.08578	10.7
121.06522	1.3
121.10143	9.0
123.08075	0.9
123.11726	1.3
123.49516	1.0
125.00015	20.9
125.09676	1.4
125.41295	0.8
129.07011	4.6
131.08562	7.9
133.06532	1.2
133.10117	4.9
135.11691	5.2
137.13193	0.9
142.07741	0.8
143.08549	1.5
145.10143	4.3
147.08080	1.7
147.11667	4.3
149.09653	2.4
149.13271	3.4
157.10139	4.4
159.11708	3.2
161.13271	1.9
163.11194	1.3
171.11739	1.6
173.13283	2.4
175.11252	3.2
175.14836	1.0
177.12761	0.8
184.07350	100.0
185.07616	1.2
187.14784	1.2
189.11200	1.2
193.12262	8.4
227.12817	2.5
243.21075	2.8
261.22147	7.8
267.15933	33.7
299.23904	0.8
301.25238	2.0
317.24908	1.1
335.25803	31.0
421.26053	0.9
435.32520	2.3
453.33704	3.9
471.34805	2.0
503.98578	1.0
527.37335	20.6
528.37238	1.0
545.38361	17.0
548.24603	0.9
563.39374	2.0
569.38043	1.4
710.43549	4.8
760.42627	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	761.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.6
56.77007	0.7
57.03435	1.2
60.80823	0.6
67.05511	3.4
69.07069	1.3
71.04984	0.8
71.08622	0.7
79.05505	2.7
81.03432	1.0
81.07066	2.7
83.08614	1.3
86.09741	1.5
91.05464	1.3
93.07064	2.5
95.08607	1.2
97.10194	0.8
107.08654	1.3
109.10186	1.8
121.10145	1.7
124.38872	0.7
146.86813	0.7
147.06078	0.7
157.10124	1.0
184.07410	2.5
212.33484	0.7
230.14574	0.8
249.75383	0.7
337.27252	0.9
483.16595	1.1
552.20160	0.7
564.39630	0.8
761.38751	100.0
762.39136	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	761.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29102	0.6
55.05508	2.0
58.57663	0.6
67.05503	2.0
67.57813	0.6
69.07079	0.8
69.80535	0.7
71.52224	1.1
71.52594	0.6
79.05514	1.0
81.07068	2.1
83.08640	0.9
86.09695	0.9
91.05483	1.5
93.07054	1.8
95.08614	1.0
105.07017	1.4
107.08609	1.1
108.02525	0.6
109.10165	1.3
119.08563	0.9
125.00011	1.3
125.03271	0.7
133.10100	1.0
177.38788	0.7
184.07347	3.5
185.07619	0.8
209.13179	0.7
214.77191	0.7
274.48709	0.8
300.79333	0.8
483.16684	0.7
535.26355	1.5
761.38727	100.0
762.39130	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	762.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.1
55.05505	0.3
55.41647	0.1
56.05037	0.8
58.06363	0.2
58.06638	0.4
60.08168	6.0
61.02921	0.2
63.99104	0.1
67.05504	0.9
69.03418	0.1
69.07082	0.3
70.06599	0.1
70.40959	0.1
71.04973	0.1
71.07378	3.4
71.52383	0.2
73.02902	0.1
74.04307	0.1
77.02236	0.1
79.05499	0.5
81.03423	0.3
81.07070	0.9
82.07367	0.1
83.08650	0.1
83.81924	0.1
85.02910	0.2
86.09709	28.9
87.10025	0.2
91.03950	0.1
91.05482	0.4
93.07034	0.4
95.04953	0.2
95.08612	0.4
97.02903	0.2
98.98469	3.3
104.10744	1.9
105.07012	0.2
107.08597	0.3
109.10141	0.2
119.08558	0.3
121.10136	0.2
125.00011	19.3
127.11197	0.2
133.10094	0.1
135.11642	0.2
137.05952	0.2
143.01117	0.2
149.09641	0.1
151.07466	0.1
161.06013	0.2
175.07565	0.2
184.07347	100.0
185.07724	0.7
185.80594	0.1
188.63361	0.1
267.15881	0.2
292.22916	0.1
337.27222	0.2
432.21158	0.2
450.22189	0.2
519.29236	0.3
529.38354	0.2
617.40619	0.2
712.45538	4.8
713.44867	0.4
762.41058	1.1
763.29401	0.2
763.42249	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
55.01875	1.2
55.05268	1.5
55.05516	16.5
57.03439	5.7
57.07075	3.1
59.04991	1.4
61.02925	3.0
65.03938	4.0
67.05508	74.6
69.03432	3.0
69.07073	12.6
70.63197	2.3
71.04998	19.3
71.07368	0.9
71.08611	1.0
73.02913	1.2
79.05496	39.6
81.07060	100.0
82.07374	1.1
83.04974	3.7
83.08620	9.2
85.02914	3.5
85.06546	6.4
86.09714	7.6
87.04459	0.9
91.03968	1.0
91.05483	30.4
93.07048	38.6
93.07643	2.1
94.07390	0.9
95.04982	5.1
95.08614	30.4
97.02895	1.7
97.06525	5.3
97.10182	2.4
98.98519	0.9
99.08127	1.2
105.04544	0.9
105.07034	17.6
107.08604	23.6
107.24171	0.8
109.06509	2.8
109.10165	13.5
111.08094	1.7
117.07022	5.9
119.08586	10.6
119.09368	1.2
121.10155	15.4
123.08084	1.0
123.11707	15.2
125.00025	4.7
125.00821	0.9
125.09652	1.0
129.07013	0.9
131.08586	9.2
133.10141	20.9
135.08096	1.3
135.11688	10.9
145.10176	5.6
147.11681	5.6
147.61511	0.9
149.13252	6.3
151.11174	6.4
159.11687	8.4
161.13301	2.3
169.12291	1.7
171.11766	1.1
173.13284	2.8
177.12764	2.4
183.13853	2.5
184.07347	22.0
185.13266	1.2
187.13307	3.7
187.14795	0.9
195.13879	1.2
201.14742	1.1
201.16481	1.4
226.79956	1.0
227.16441	1.8
257.17581	1.7
261.22153	2.4
269.17505	6.3
301.20111	18.3
317.25003	1.5
335.25827	29.4
393.31567	1.4
405.29297	1.1
437.34177	1.3
458.89740	1.0
485.36099	3.4
503.37338	94.1
504.37933	5.4
511.38150	1.8
515.82080	1.1
517.38647	4.7
529.38953	15.9
548.67072	1.0
561.41547	80.5
562.41992	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	758.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.4
55.01867	7.4
55.05516	24.9
57.03449	15.3
57.07087	2.5
57.93365	1.9
59.05021	2.2
61.02925	5.4
65.03941	5.5
67.05511	89.4
69.03422	6.2
69.07074	27.7
69.76734	11.8
71.05000	6.5
73.02934	2.9
79.05502	59.7
81.03418	6.8
81.07066	70.4
83.04983	12.0
83.08620	16.1
85.02910	10.1
85.06549	3.5
86.09712	7.5
91.03961	3.4
91.04917	2.8
91.05486	57.0
93.07051	67.1
95.04974	16.3
95.08617	47.4
97.02908	9.1
97.06541	12.3
97.10172	7.1
98.06794	1.8
99.04465	3.2
99.08072	4.0
105.07043	39.0
107.04974	6.4
107.08600	40.4
109.06500	9.0
109.10168	37.0
111.04452	11.1
111.08070	5.8
113.05976	2.9
113.09678	2.5
117.07031	21.8
119.08588	36.7
121.06540	6.1
121.10148	33.0
123.04452	2.2
123.08058	6.4
123.11707	7.4
124.99950	2.7
125.09701	2.7
128.06184	2.5
129.07024	11.4
130.07809	3.3
131.04945	2.8
131.08583	30.0
133.06493	3.5
133.10136	27.7
135.08086	7.1
135.11710	28.1
137.09630	3.9
139.11151	3.0
141.06966	3.8
142.07828	2.9
143.08571	7.5
145.06494	3.8
145.10120	25.9
147.08075	7.4
147.11681	14.2
149.09625	10.5
149.13231	8.2
151.11203	5.9
154.07733	2.7
154.90775	1.9
155.08595	5.7
155.10735	2.2
157.10129	9.6
159.08046	4.0
159.11713	14.1
161.09645	5.2
161.13260	8.5
163.11186	10.3
163.14824	2.0
167.08632	2.1
169.10103	5.0
171.11696	10.4
173.09627	8.4
173.11897	2.6
173.13293	8.0
175.11246	3.6
175.14818	3.2
183.11732	6.1
184.07339	22.5
185.13248	5.4
187.11188	2.0
187.14784	5.4
189.12802	3.8
191.10709	6.4
197.13318	3.5
199.14815	4.3
201.12924	2.0
201.16400	2.1
203.14326	2.4
209.11720	17.6
209.13362	2.2
211.14905	3.2
213.14613	2.0
227.12834	8.8
227.16368	5.5
229.14421	8.4
237.08617	2.0
243.15791	3.7
243.21117	2.5
253.14583	2.1
255.16006	6.8
259.20523	3.9
261.22186	8.3
271.20840	2.9
273.22177	8.0
277.21741	2.3
283.15405	48.6
285.17020	2.6
289.21527	3.3
299.23428	2.3
301.16537	22.5
301.21506	3.8
315.23355	10.1
317.21225	4.0
317.24878	3.3
331.22733	2.2
333.24142	3.4
335.25900	29.4
347.25894	3.4
363.25467	2.8
373.23721	5.7
375.25104	2.3
415.30231	2.0
433.30975	7.3
441.32724	2.7
451.32050	17.0
469.33124	14.6
471.31122	2.3
487.34033	8.6
507.34949	2.7
515.37213	4.5
525.35785	23.8
543.36884	100.0
544.37152	5.8
561.37909	39.9
562.37390	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.01862	5.8
55.05516	27.4
57.03442	17.2
60.08158	5.9
61.02936	3.5
65.03942	5.2
67.05510	77.6
68.05818	2.6
69.03412	3.7
69.07074	19.8
69.17254	3.7
69.17668	14.8
71.05000	4.5
71.07363	1.8
73.02904	2.2
79.05499	60.8
81.03415	7.0
81.06590	3.4
81.07059	68.4
83.04985	12.1
83.08629	10.0
85.02898	5.6
85.06538	5.0
86.09222	2.6
86.09711	29.8
86.66452	1.7
91.05481	44.8
93.07048	61.6
95.04978	11.1
95.08615	49.6
97.02882	6.1
97.06528	9.4
97.10155	5.3
98.21578	2.4
98.98449	3.6
99.04482	2.0
104.10722	3.3
105.04526	2.6
105.06395	2.6
105.07042	27.0
107.04986	9.7
107.08607	36.0
108.15549	1.7
109.06489	4.6
109.10175	21.0
111.04438	5.0
111.08064	3.1
113.05997	1.9
115.05432	3.1
117.07014	15.7
119.08595	20.3
119.09376	2.7
121.06496	3.9
121.09322	3.2
121.10144	34.8
123.08047	4.1
123.11712	11.5
125.00008	23.0
125.09644	2.6
129.06973	6.3
130.07726	2.9
131.08589	29.0
133.10129	22.4
135.08046	2.6
135.11713	28.4
137.09631	3.2
139.07481	1.9
139.11078	2.1
143.08591	5.0
145.06528	2.7
145.10124	28.3
147.08051	2.9
147.11681	6.3
149.09627	6.7
149.13268	6.0
150.35219	1.6
151.11154	3.4
153.12761	3.5
155.08495	3.3
157.10124	5.0
159.11699	6.9
161.09567	2.6
161.13229	3.3
163.11211	26.0
165.12798	1.5
171.11630	2.7
173.09624	9.8
173.11873	1.8
173.13257	4.0
175.14813	2.0
181.12299	3.3
184.07346	98.5
187.07567	1.7
187.14781	2.8
191.10721	14.1
209.11728	19.5
227.10771	2.9
227.12766	17.0
230.08965	2.8
241.08650	2.7
259.20486	2.0
261.22174	9.2
283.15414	49.7
301.16452	34.3
313.96472	1.9
317.24808	2.1
335.25821	100.0
336.26172	3.7
433.30981	2.0
451.32123	2.5
525.35730	3.5
543.36859	60.7
544.37097	3.3
561.37915	30.0
604.32990	2.6
758.42780	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	758.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.5
55.01876	13.3
55.05513	34.2
57.03439	22.8
57.07067	5.0
61.02906	7.0
62.50219	2.4
65.03933	7.6
67.05506	100.0
69.03416	6.4
69.06735	2.5
69.07071	28.3
71.01347	3.7
71.04993	5.3
71.31728	3.2
79.05494	84.5
81.03419	21.1
81.07059	90.0
83.01325	3.4
83.04545	3.0
83.04987	28.8
83.08625	17.3
85.02898	14.2
85.06544	5.3
86.09692	7.3
91.05481	55.0
93.07048	92.2
95.04966	18.7
95.08611	60.0
97.02898	13.3
97.06531	10.8
97.10164	9.5
99.04473	3.4
102.48208	2.2
105.07029	36.8
107.04961	11.7
107.08598	49.1
109.06510	4.8
109.10154	33.7
111.04427	12.3
111.08054	9.0
113.06026	2.1
117.07015	22.5
119.08575	37.8
121.06492	7.0
121.09351	3.2
121.10149	41.1
123.08076	8.0
123.11684	7.8
125.00007	5.2
125.09617	4.3
128.06219	2.8
129.07004	8.0
131.08588	25.1
133.10143	21.0
135.08066	5.6
135.11682	34.5
137.09627	4.1
143.08533	4.4
145.06511	3.4
145.10129	34.7
147.08011	5.7
147.11671	9.7
149.09621	3.6
149.13239	7.3
151.11157	4.1
153.12729	13.5
155.08502	6.0
157.10106	6.4
159.11682	10.0
161.09537	3.3
161.13243	8.1
163.11203	30.9
163.14905	3.2
171.11673	5.1
173.09612	7.7
173.13261	8.9
173.19582	2.4
175.14825	2.3
177.23685	2.1
181.10277	1.7
181.12285	12.5
183.11722	2.4
184.07336	17.9
185.13274	2.4
187.14781	4.5
191.10698	13.3
209.11734	34.3
213.71397	2.0
225.73033	2.5
227.12744	17.7
229.14290	4.3
243.21144	6.0
259.20419	2.2
261.22183	14.7
265.14441	5.1
273.22064	2.8
283.15396	46.5
285.17081	2.9
286.97937	2.5
299.23627	3.7
301.12964	4.0
301.16449	78.7
303.19980	2.8
313.21829	2.3
315.23166	5.8
317.24796	3.7
335.25806	95.3
336.26199	4.6
389.26913	3.1
433.30701	3.8
451.32233	13.0
469.33206	6.5
487.34015	4.2
515.36951	2.8
525.35608	20.3
543.36829	75.0
544.37097	4.4
561.37872	65.3
561.46710	3.5
562.38104	4.8
695.44275	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	758.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	10.4
55.01877	12.4
55.05516	47.8
57.03444	18.3
57.07080	4.2
57.65585	1.6
60.08160	4.5
61.02916	6.5
65.03939	5.4
67.05512	100.0
67.16900	1.4
69.03427	6.2
69.07077	22.8
69.32401	15.5
71.01347	3.9
71.04989	5.5
71.07392	1.7
73.02913	4.9
77.03927	1.8
79.05502	85.7
80.05826	3.6
81.03425	54.4
81.07064	86.8
83.04987	14.9
83.08629	21.6
85.02911	11.0
85.06523	5.0
86.09708	17.5
91.05491	52.6
93.07052	78.7
94.07387	2.5
95.04980	15.1
95.08619	64.9
97.02900	15.8
97.06538	10.2
97.10183	17.9
98.98429	2.8
99.04452	3.6
103.65384	2.2
104.10763	2.4
105.04570	2.8
105.06315	2.2
105.07034	37.2
107.04952	19.5
107.08601	47.1
109.06535	8.4
109.10162	24.9
110.51730	2.0
111.04439	9.8
111.08089	8.4
115.05438	3.1
117.07026	17.4
119.08589	27.0
121.06506	4.9
121.10159	28.7
123.08082	3.5
123.11712	7.1
125.00018	12.8
125.06004	3.5
125.09641	13.3
128.06233	3.2
129.07008	7.8
131.08580	22.3
133.10153	19.7
135.08046	5.6
135.11707	38.5
139.03816	2.0
139.11218	1.9
143.08577	4.6
145.06528	2.7
145.10158	30.2
147.08072	5.3
147.11708	16.1
149.09648	3.0
149.13289	8.6
153.12746	14.8
155.08580	4.4
157.10175	8.3
159.08023	2.5
159.11662	8.0
161.13258	6.8
163.11198	43.3
163.14841	2.9
165.12717	1.9
169.10054	3.1
171.11655	1.7
173.09608	5.1
173.11972	2.0
173.13281	9.2
175.11252	3.3
175.14844	2.3
177.12708	2.7
181.12299	11.2
183.11710	2.8
184.07358	60.2
185.13261	4.4
187.11099	1.9
187.14874	4.0
191.10661	8.8
193.12222	7.9
199.11464	2.7
199.13281	9.9
199.14847	1.9
209.11710	10.6
209.13393	2.1
217.14389	3.1
227.10579	2.1
227.12796	31.4
229.14401	4.7
241.19566	3.2
243.21190	3.4
259.20639	6.3
261.22189	6.1
265.14392	5.2
267.15933	19.9
268.16235	2.5
277.21469	1.9
283.15427	17.0
292.65347	1.7
299.23685	4.2
312.64774	1.8
315.23187	1.8
317.24680	2.2
327.23123	3.6
333.24411	3.4
335.25845	58.8
336.26303	3.8
351.25262	4.6
424.20758	1.7
451.31995	2.0
471.74997	1.6
489.35678	2.4
508.97226	1.7
543.36560	7.1
561.38159	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	757.5614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.5
55.01866	3.5
55.05521	11.9
57.03438	1.5
57.07080	3.0
60.08174	6.7
65.03941	2.8
67.05182	1.8
67.05513	21.7
68.99796	2.0
69.03448	2.7
69.07088	9.9
70.89946	2.7
71.05000	1.6
71.07362	3.7
73.16807	1.4
79.05506	12.9
79.67959	1.1
81.03419	1.5
81.07072	23.7
83.04965	2.2
83.08617	5.6
85.02926	1.9
86.09717	34.3
87.10042	2.9
91.05490	16.3
93.07055	16.3
95.04993	9.9
95.08610	14.8
97.02879	1.6
97.06554	2.9
97.10183	4.5
98.98453	5.5
100.94408	1.0
103.05466	2.3
104.10737	2.2
105.04562	1.4
105.07043	17.8
107.04942	3.0
107.08595	10.1
109.06534	4.9
109.09516	1.4
109.10169	9.9
111.04395	2.3
115.05473	1.4
115.33373	1.1
116.06273	1.4
117.07044	5.4
119.04911	1.9
119.08603	11.5
121.02921	1.5
121.06508	2.8
121.10119	6.2
123.08121	1.5
123.11726	1.5
125.00026	23.4
126.00406	1.4
127.03887	1.2
127.11264	1.3
128.06258	1.8
129.07008	5.4
131.08577	12.7
133.10144	12.0
135.04486	1.8
135.08099	3.7
135.11678	3.5
137.09612	2.2
137.38411	1.1
139.03929	15.5
141.06982	3.4
142.07808	3.3
143.08556	5.4
145.06505	1.4
145.10146	8.6
147.11688	4.8
149.09615	2.6
149.13269	1.6
151.11147	1.2
153.05473	2.9
155.08574	3.9
156.09290	1.8
157.10138	6.7
158.10829	1.6
159.08109	3.0
159.11720	6.8
161.09584	2.2
161.13295	2.4
166.09615	1.0
167.08627	3.3
169.08755	1.1
169.10170	4.9
171.08029	1.9
171.11725	5.5
173.09677	7.5
173.13281	3.6
177.05467	4.2
179.08566	1.2
180.95953	1.2
181.10156	1.5
183.11772	3.4
184.07362	100.0
185.06117	1.7
185.07718	13.7
185.09279	1.9
185.13280	3.7
187.11172	1.4
191.07082	1.3
195.11642	1.6
197.09657	1.4
197.13264	4.4
199.11253	1.5
199.14842	4.7
201.09061	2.2
205.08626	1.6
209.13336	1.8
211.14897	1.6
213.09244	1.3
213.16391	1.5
223.11320	1.6
225.16299	1.7
227.10649	1.6
239.14375	1.4
243.10292	1.7
253.19534	2.2
257.11783	2.3
265.19711	1.5
269.11954	1.7
275.20145	2.5
283.20697	2.0
307.20541	2.3
325.21643	1.4
333.18622	1.4
351.19473	2.1
391.22766	2.2
409.23721	2.6
415.32166	1.8
421.32834	1.9
433.33319	3.4
551.41150	1.7
563.40833	1.5
577.42810	1.5
579.43677	2.2
585.45093	12.6
591.44000	1.8
593.41748	2.0
605.45001	2.4
617.46002	1.8
638.27393	3.9
645.48969	6.3
658.51740	1.3
660.25262	6.2
667.50854	2.7
679.87274	1.3
685.51709	10.3
703.52783	7.8
721.53961	2.4
757.45807	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
55.01871	2.0
55.05515	9.5
56.05021	1.2
57.03427	2.6
57.07073	1.5
58.60465	0.7
60.08171	6.3
61.54314	0.8
65.03928	1.1
67.05509	26.7
69.03426	8.2
69.07073	7.8
71.04983	1.2
71.07384	5.1
74.50105	0.8
77.03933	0.9
79.05500	21.4
81.03423	5.5
81.06598	1.6
81.07062	26.0
83.04974	2.9
83.08635	3.7
85.02876	2.2
85.06537	1.0
86.09711	29.0
87.10032	3.4
91.05482	19.0
93.06493	1.7
93.07052	24.4
95.04991	4.3
95.08610	19.9
97.02895	2.1
97.06525	2.5
97.10155	2.4
98.98467	4.8
99.04454	1.0
104.10751	2.0
105.04520	1.1
105.06390	1.4
105.07037	13.3
107.04957	2.3
107.08594	10.6
109.02869	2.1
109.06519	2.4
109.10149	8.0
111.04475	1.2
111.08081	1.3
111.53879	0.8
115.05466	1.5
117.07022	5.9
119.08588	9.0
121.06464	2.3
121.10155	9.8
123.08052	1.5
123.11679	2.0
124.03555	0.8
125.00012	21.3
125.97688	0.7
127.03904	1.7
128.06181	1.4
129.05479	1.2
129.07001	3.4
131.08568	9.5
132.69559	0.8
133.06477	1.3
133.10164	7.7
135.08055	1.5
135.11679	5.9
137.09651	1.0
141.07094	0.8
143.08527	2.8
145.06433	0.9
145.10118	8.1
147.07986	1.6
147.11688	6.0
149.09615	2.0
149.13229	4.4
151.11215	1.0
155.08554	1.7
157.10124	3.7
159.08087	1.0
159.11728	5.5
161.09598	1.5
161.13271	3.1
163.14818	1.1
169.10112	1.8
171.11713	2.6
173.09639	1.0
173.13254	3.4
175.11224	1.9
175.14822	1.0
183.11639	1.8
184.07352	100.0
185.07712	9.9
185.09500	1.5
185.13304	1.8
187.14798	1.7
189.12762	1.2
195.11671	1.2
197.13321	1.7
199.14806	1.4
200.34253	0.8
201.16425	0.9
206.25584	0.8
259.20599	1.5
261.22079	2.2
273.22186	0.8
275.20084	1.6
277.21671	1.7
289.21878	1.0
291.15817	1.2
301.21570	2.2
303.22910	1.4
319.22644	0.9
327.23212	1.3
335.25772	10.0
343.80896	0.8
345.24420	1.2
351.23312	1.4
369.24139	4.1
387.25204	2.2
405.26172	1.7
443.27609	1.7
461.28802	1.6
479.30194	1.6
481.01010	0.9
585.45447	5.0
739.50989	1.3
757.53986	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	757.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01857	1.1
55.05512	3.1
57.03435	1.7
57.07062	0.9
60.08166	1.4
61.02933	6.0
67.05178	0.7
67.05512	8.5
69.03437	3.8
69.07065	2.4
69.23255	0.8
69.23663	2.8
71.01366	0.4
71.04998	1.1
71.07378	1.2
71.08667	0.4
72.32288	0.3
73.02922	4.4
77.90121	0.4
79.05500	6.0
81.03428	2.1
81.07065	7.7
83.04961	1.0
83.08618	1.5
85.02427	0.7
85.02910	6.1
85.12760	0.4
86.09711	8.5
87.04469	0.7
87.10048	0.9
91.03965	3.4
91.05489	4.5
91.52275	0.3
93.07049	6.0
95.04985	2.1
95.08608	5.8
96.39178	0.4
96.95409	0.3
97.02893	5.5
97.06557	0.6
97.10177	0.9
98.98489	1.3
99.04475	1.1
101.02393	2.0
103.03960	0.6
105.07034	3.8
107.04948	0.5
107.08587	3.0
109.02897	0.9
109.06503	0.5
109.10157	2.1
117.07018	1.3
119.08583	2.2
121.10152	2.1
123.08114	0.5
123.11735	0.9
125.00021	5.9
127.03922	1.6
129.07040	0.5
131.08606	1.1
133.10139	1.6
135.08141	0.4
135.11717	1.6
139.03911	0.7
143.08611	0.6
145.10176	1.7
147.11708	1.4
149.13232	0.8
151.93053	0.3
157.10255	0.5
159.11755	0.8
161.09755	0.5
161.13286	0.7
173.13342	0.4
177.05557	0.5
179.14352	0.9
184.07356	25.0
185.04195	0.5
185.07741	2.0
243.08403	2.3
261.14670	4.1
269.81851	0.4
275.20184	1.3
300.23187	0.6
317.17438	0.6
319.24426	0.4
335.26022	0.9
479.22488	4.4
497.30963	0.9
501.23264	0.7
503.37543	0.4
519.29413	9.1
520.29596	0.4
531.37177	0.4
585.45129	3.5
620.87079	0.4
660.25482	7.0
661.26245	1.3
703.53101	0.6
757.45148	100.0
758.45667	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	757.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.4
53.59046	2.9
55.01859	6.8
55.05516	71.6
57.03437	13.7
57.07064	10.1
58.03786	2.8
60.08156	7.7
64.72724	2.5
64.83662	3.0
67.05505	56.7
68.05829	4.5
68.99786	4.1
69.06789	2.5
69.07074	29.0
69.54874	2.6
71.04984	4.1
71.07351	3.7
71.51693	4.0
79.05496	40.1
80.05853	3.2
80.30388	3.2
81.03419	42.4
81.07059	59.3
82.03732	4.7
82.07403	5.8
83.04987	63.4
83.08611	20.8
86.09704	30.1
91.05482	38.8
92.05810	3.7
93.06491	3.5
93.07043	39.2
95.04966	18.5
95.08605	40.4
97.06535	13.1
97.10175	10.8
98.98495	4.0
105.07050	27.3
106.07371	3.2
107.04939	8.2
107.08602	26.0
108.08906	2.8
109.06513	3.5
109.10150	19.3
111.04446	7.0
111.08040	7.0
115.05491	4.9
117.07020	13.3
119.08590	20.9
121.06480	8.0
121.10140	23.2
123.04446	3.9
123.08011	3.9
123.11710	6.7
125.00002	24.1
125.05995	3.6
125.09586	3.1
128.06195	2.9
129.06993	16.1
131.08575	16.9
133.10130	10.7
134.10472	4.1
135.08051	6.1
135.11676	13.7
137.02255	2.7
137.06003	4.1
137.13272	3.0
139.03896	7.6
141.07004	8.2
142.07805	5.5
143.08571	7.8
145.06483	5.2
145.10135	12.7
147.08037	4.6
147.11647	8.8
149.09644	5.5
149.13228	6.3
151.03868	5.1
151.11162	2.9
152.06187	5.5
153.05534	4.7
153.07021	5.4
153.09166	3.3
154.07765	3.3
155.08560	15.9
157.06464	4.0
157.10100	11.3
159.08069	5.6
159.11639	4.0
161.05911	4.7
161.09592	5.0
161.13274	3.3
165.05635	3.7
165.07010	11.4
166.07744	4.8
167.08540	13.0
168.05693	5.9
171.07990	3.8
171.11662	8.0
173.06068	3.0
173.09654	4.9
173.13281	7.6
175.07585	3.6
175.11209	4.5
179.08609	5.6
181.10101	5.4
183.08043	31.4
184.07359	100.0
184.08977	5.6
185.06075	3.6
185.07681	7.9
185.09621	14.9
186.38046	2.9
187.07492	4.1
187.14954	4.0
188.76599	3.2
190.07649	2.9
193.12207	10.9
194.12450	3.8
195.08022	10.8
197.09602	8.5
199.07518	6.0
199.11386	2.7
201.09041	5.6
203.14342	3.0
207.08057	4.5
208.08746	3.4
209.09625	8.4
211.07521	12.7
211.11105	4.5
213.09158	11.0
215.07182	3.2
219.08150	3.8
223.07492	15.4
223.11227	4.4
225.09074	6.3
227.10684	4.4
229.08611	57.1
237.09111	17.1
241.08617	56.2
251.07130	4.3
251.10542	4.0
253.08641	6.1
255.10118	8.2
261.22128	8.2
263.06995	3.1
263.10858	2.8
265.08652	12.5
267.10474	3.1
267.15985	32.3
268.16394	17.2
269.11761	3.2
279.10193	3.3
283.09647	9.8
299.14886	3.9
309.07468	3.2
321.24158	5.6
325.10577	3.4
335.25818	35.0
336.26099	25.2
347.25766	20.3
363.25229	17.7
375.25143	15.8
454.34213	4.4
515.31757	4.3
527.37762	6.9
528.37732	23.5
529.32788	5.2
539.31305	10.8
546.38599	12.3
557.32733	16.8
559.34521	5.0
567.31458	6.0
575.33777	12.5
585.32159	31.2
593.35303	6.1
603.33264	84.8
604.33228	4.8
621.34235	48.3
639.34961	7.4
703.38367	25.7
721.39215	16.6
739.40546	6.5
784.76752	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	756.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45152	0.1
56.05038	0.8
58.06637	0.4
60.08166	6.2
63.33181	0.1
67.05507	0.2
70.06593	0.1
70.63269	0.1
70.63597	0.2
71.07375	3.9
76.98142	0.1
79.05498	0.2
80.95156	0.1
81.07076	0.2
86.09708	29.6
87.10011	0.1
88.55001	0.1
92.57177	0.1
93.07034	0.2
95.08592	0.1
97.59418	0.1
98.98466	3.2
104.10746	1.7
119.19392	0.1
125.00008	20.2
143.01070	0.2
177.82326	0.1
184.07344	100.0
185.07690	0.7
222.43045	0.1
280.25793	0.1
346.98093	0.1
372.20825	0.1
478.33020	0.1
496.33844	0.1
756.55566	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.3
56.05037	0.9
57.07061	0.2
57.25754	0.1
58.06381	0.1
58.06631	0.3
59.07386	0.1
60.08169	6.2
62.81946	0.1
67.05505	0.3
69.07079	0.2
69.27015	0.2
69.27402	1.0
71.07377	3.4
79.05502	0.2
81.07067	0.3
83.08621	0.1
86.09712	30.5
86.90986	0.1
87.10051	0.2
91.05466	0.2
93.07044	0.3
95.08624	0.2
97.02850	0.1
98.98468	3.3
104.10743	1.9
105.07061	0.2
109.06581	0.1
109.33468	0.1
121.10228	0.1
125.00013	20.3
126.00307	0.1
131.08600	0.1
166.02711	0.1
184.07353	100.0
185.07747	0.9
223.90063	0.1
224.23404	0.1
358.85965	0.1
398.96558	0.1
496.33710	0.1
584.43469	0.2
598.45630	0.1
715.65027	0.1
756.33661	0.2
756.55359	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	757.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
55.01862	3.1
55.05515	67.0
65.03931	1.7
67.05511	4.7
69.03420	4.4
69.03765	1.6
71.07751	1.6
71.08083	1.8
79.05501	6.6
81.07069	3.6
83.04985	91.4
86.09752	1.4
91.05478	15.0
93.07043	2.9
95.04978	6.6
97.02905	1.9
97.06538	1.9
103.05495	4.0
105.07021	11.4
107.04968	5.8
115.05453	12.0
116.06274	2.2
117.07027	18.3
119.04933	1.5
119.08575	6.2
121.02838	1.8
121.06524	4.6
123.89400	1.4
128.06233	30.1
129.07016	25.5
130.07780	4.4
131.04929	3.4
131.08598	10.9
133.06497	3.5
135.04393	2.0
137.05962	2.5
141.07007	21.7
142.07779	12.8
143.08566	72.2
144.05760	2.5
145.06491	15.8
145.10127	23.8
147.08076	9.4
152.06219	4.8
153.05658	2.5
153.06981	15.2
154.07788	31.8
155.06018	3.6
155.08562	59.2
156.09232	3.6
157.06512	7.7
157.10139	8.0
158.07294	5.8
159.08075	11.2
159.11729	5.5
161.06050	3.1
161.09654	5.7
163.03969	2.1
165.07048	5.3
166.07802	1.7
167.07109	1.7
167.08572	7.5
168.05760	1.8
169.06462	5.0
169.10139	57.0
169.11592	3.5
170.07277	3.7
171.08057	15.5
171.11696	14.4
172.08839	2.7
173.06009	6.6
173.09650	39.5
175.07593	3.3
178.07793	2.9
179.08514	9.7
181.06476	2.6
182.07283	5.4
183.08038	11.7
185.09628	28.4
187.07651	3.6
187.11182	10.6
189.09131	7.5
195.08127	2.4
197.05894	1.8
197.09636	55.2
199.07549	6.9
199.11221	5.0
201.09106	33.8
203.07010	2.5
203.10713	5.0
213.09143	13.3
215.10681	77.6
216.10913	1.7
217.08646	5.3
219.10161	7.8
225.09062	17.4
231.10162	24.4
233.11702	8.4
243.10184	52.0
249.11266	4.2
259.09567	1.6
261.11234	100.0
279.12262	42.6
280.12601	3.4
292.65445	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.9
55.01869	3.4
55.05277	1.5
55.05516	22.1
57.03192	1.5
57.03440	19.1
57.07091	1.6
60.08157	6.1
61.02921	1.4
64.20806	1.1
65.03935	2.9
67.05507	65.4
69.03422	3.4
69.07068	14.6
71.01341	1.1
71.04978	4.5
71.07373	2.6
71.50853	1.3
71.51263	2.1
77.03914	1.4
79.05496	50.5
81.03420	85.5
81.07061	56.6
82.07376	1.5
83.04974	6.8
83.08622	23.5
85.06535	2.6
86.09711	23.8
86.34418	1.1
91.04907	1.5
91.05483	41.2
93.07049	48.9
95.04974	31.4
95.08607	41.9
97.02908	2.4
97.06538	5.4
97.10191	7.4
98.98450	2.8
99.04507	1.2
99.08146	1.3
103.05447	1.6
104.10674	1.6
105.04504	1.8
105.07040	33.4
107.04975	8.5
107.08609	26.9
109.06523	6.2
109.10159	22.2
111.04407	2.2
111.08083	6.8
115.05441	2.2
117.07024	9.3
119.08585	25.5
121.06503	4.3
121.10157	25.2
123.08059	2.9
123.11707	7.6
125.00018	18.6
125.09631	5.8
128.06216	1.1
129.07019	14.0
131.08575	23.2
131.10229	1.1
133.06479	3.9
133.10133	18.3
135.08064	3.3
135.11719	12.8
137.05933	1.3
137.09590	3.3
137.13240	1.6
142.07800	3.3
143.08582	3.6
145.10126	12.8
147.08025	2.3
147.11714	13.2
149.09650	5.5
149.13266	5.9
151.11131	1.2
155.08533	2.2
156.53566	1.2
157.10161	9.9
157.68994	1.2
159.11685	8.5
161.09654	1.4
161.13300	7.0
163.11145	2.0
163.14789	3.7
165.12753	3.1
169.10156	1.5
171.11641	2.5
173.09741	1.5
173.13261	6.8
175.11201	10.0
175.14899	1.3
183.11700	2.1
184.07353	93.7
185.13176	1.6
187.14792	2.7
189.11168	4.0
189.12802	2.0
193.12245	22.9
199.14952	1.4
209.13257	1.4
211.13185	2.2
227.12617	6.4
229.89159	1.1
235.13379	1.7
243.21138	5.9
249.14902	2.6
261.22141	19.1
265.56207	1.2
267.15927	100.0
268.16315	2.1
279.23056	2.3
299.14902	2.0
301.25198	6.4
309.17068	2.2
317.24792	4.6
333.23758	1.5
335.25818	90.0
336.26248	2.7
417.26471	1.6
417.31653	1.4
421.25830	2.5
435.27310	2.2
435.32477	6.3
453.33734	6.7
471.34714	4.2
527.37354	53.7
528.37988	2.0
545.38403	37.4
559.38916	2.1
671.41187	1.5
756.55133	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	2.9
53.03946	5.9
54.35766	1.3
55.01870	5.0
55.05267	1.9
55.05513	23.5
56.01092	1.1
57.03449	14.0
57.07068	2.5
59.04994	2.0
59.17738	1.2
60.08186	2.0
61.02925	3.9
64.18334	1.2
65.03943	4.2
67.05509	60.1
69.03422	3.4
69.07077	16.2
69.59244	3.3
69.59674	4.3
71.04986	3.8
71.07420	1.8
71.08635	1.2
73.02924	3.2
79.05497	44.9
81.03437	6.1
81.07061	55.3
83.04993	5.3
83.08623	15.5
85.02918	4.1
86.09724	10.3
91.04903	1.8
91.05489	43.0
93.07049	52.1
95.04962	7.0
95.08615	43.9
97.02882	8.5
97.06553	6.0
97.10172	4.1
98.20778	2.5
98.98470	1.4
99.00819	16.3
99.04464	2.3
103.05494	2.7
105.04533	1.3
105.07040	30.5
107.04951	8.8
107.08599	26.8
109.02886	22.8
109.06535	3.7
109.10172	17.4
111.08083	4.2
113.06044	1.3
115.03941	2.0
115.05453	1.5
117.07031	9.4
119.08585	21.1
121.06480	6.5
121.10159	18.5
123.04481	2.1
123.08105	3.0
123.11697	7.7
125.00011	7.7
125.09637	1.7
127.03934	2.3
128.06288	1.8
129.06992	2.7
131.08582	11.9
133.06482	3.1
133.10136	41.7
135.08081	2.2
135.11708	12.7
137.01363	1.1
137.09641	1.7
137.13257	2.4
139.07536	2.5
143.08580	8.4
145.10136	8.3
146.07207	1.4
147.04486	1.8
147.11691	4.9
149.09590	1.9
149.13263	7.1
151.11172	11.8
152.38408	1.3
159.11708	5.0
161.09634	19.7
161.13303	3.5
163.14807	3.9
171.08080	5.5
173.13272	4.7
175.14931	1.8
177.16275	1.2
179.10646	9.3
184.07347	37.6
189.09148	9.6
197.11781	3.8
207.10220	5.0
225.11250	18.3
243.12360	3.9
243.21140	7.1
259.20453	1.5
261.22141	24.5
281.13818	11.2
299.14899	90.1
300.15274	1.6
315.23257	1.6
317.24744	4.1
335.25818	100.0
336.26178	4.1
449.30661	2.4
467.31470	5.2
485.32474	2.4
505.39172	2.3
513.35834	3.5
515.37225	1.9
523.34851	1.3
531.36426	2.5
541.35242	13.4
559.36389	52.5
560.36652	3.1
577.36530	1.7
584.44586	1.3
738.72186	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	3.6
53.03945	4.8
55.01863	4.0
55.05515	25.4
57.03234	1.0
57.03446	10.0
57.07070	2.4
59.05006	1.2
60.08164	3.6
61.02923	5.1
65.03922	1.7
67.05509	43.7
68.99776	1.4
69.03423	2.8
69.07069	10.1
71.01354	1.4
71.04986	1.7
71.07380	1.5
73.02899	2.4
79.05503	31.6
81.03413	5.0
81.07063	47.9
83.04973	4.4
83.08620	14.3
85.02890	3.9
85.06554	1.8
86.09717	17.2
91.05482	28.7
91.06026	2.2
93.07050	38.3
95.04978	4.1
95.08615	27.5
97.02894	5.1
97.06530	4.5
97.10149	2.3
98.98449	1.9
99.00827	16.5
99.08120	2.0
105.06393	2.5
105.07034	26.2
107.04941	5.5
107.08599	20.2
109.02871	8.5
109.06529	2.4
109.10171	14.9
111.04454	1.6
111.08096	3.1
115.03907	2.2
117.07025	6.7
119.08583	14.1
121.06521	7.1
121.10153	11.1
123.04423	1.5
123.08089	1.6
123.11704	5.5
125.00020	13.9
125.09641	1.6
127.03897	3.0
129.06998	2.3
131.08586	6.3
133.10138	35.9
135.08110	1.5
135.11716	9.2
137.09692	1.4
139.07550	2.2
143.08578	4.7
145.10138	4.5
147.11697	4.4
149.13255	4.2
151.11223	8.9
159.11667	5.1
161.09622	14.1
161.13283	4.6
163.14928	2.8
171.08052	4.1
173.13275	5.1
178.95689	1.3
179.10704	8.7
183.07910	1.6
183.74318	1.3
184.07353	58.1
187.14757	2.0
189.09125	9.0
197.11673	2.2
207.10152	2.8
225.11214	14.6
243.12286	3.7
243.21123	3.2
258.91055	1.3
259.20761	1.4
261.22141	12.3
277.21695	1.6
281.13803	3.5
299.14917	100.0
300.15109	1.6
315.23114	3.2
317.24811	3.9
335.25836	80.0
336.26129	2.3
439.32214	1.4
467.31537	5.0
485.32190	2.4
513.35962	2.8
515.37115	1.8
541.35577	7.7
559.36383	32.4
560.36682	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
55.01871	3.3
55.05518	67.6
67.05512	9.2
69.03443	1.8
70.05844	4.6
70.06233	6.4
71.05003	2.0
74.06079	3.4
78.62460	1.9
79.05477	9.5
81.03417	2.1
81.07063	21.8
83.04988	100.0
86.09712	10.7
91.05483	18.8
93.07050	17.3
95.04982	7.8
95.08601	3.3
97.06551	4.5
98.20758	3.8
98.98510	2.1
103.05466	2.0
105.07048	12.3
107.04967	4.4
107.08588	3.7
109.06528	8.0
111.04437	5.0
115.05460	8.8
117.07011	8.8
119.05001	11.2
119.05765	2.2
119.08556	6.2
120.98837	2.0
121.06497	6.6
123.04442	7.4
124.99986	5.3
128.06226	13.7
129.07021	27.0
130.07758	2.5
131.08574	19.1
133.06534	2.9
133.10100	6.8
135.04456	3.5
137.05988	23.7
141.06982	24.6
142.07787	35.5
143.08574	18.3
145.06454	4.4
145.10155	5.3
147.08075	2.6
149.05981	2.7
152.06230	2.6
153.07030	6.7
154.07776	3.5
155.08562	18.9
156.09349	5.9
157.06538	5.1
157.10135	64.0
158.10551	2.4
159.08066	6.8
159.11749	3.9
161.05972	3.0
161.09575	2.3
165.05498	36.6
165.06989	10.3
166.07822	9.0
167.08589	6.0
168.09354	4.8
169.06500	4.2
169.10190	6.2
170.07265	4.7
171.08047	7.9
171.11734	11.7
173.09586	5.0
181.10121	27.1
183.11711	7.9
184.07361	24.1
184.08881	6.5
185.09630	81.0
187.07564	19.2
189.09196	2.8
195.08127	3.0
197.09573	2.6
198.19653	2.0
199.07538	3.3
199.11192	75.7
200.11693	2.8
203.10660	15.6
205.08623	3.7
209.09514	3.1
213.09109	10.3
215.06946	2.6
215.10657	4.2
217.08589	2.4
225.09044	3.6
227.10683	97.1
231.10291	5.8
241.08614	11.7
243.10188	6.0
245.11765	95.5
246.12154	3.2
259.09665	21.6
261.11264	5.8
277.10672	17.5
295.11896	2.3
341.13828	15.8
361.16443	26.5
395.17035	8.3
469.33929	2.1
576.41858	2.6
631.78833	2.4
738.47919	2.6
767.87347	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	756.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03193	0.8
53.03952	1.8
55.01863	1.6
55.05517	46.8
57.03427	0.9
57.21159	0.8
63.73929	0.8
67.05502	3.5
68.46756	0.8
69.07079	2.4
70.96150	2.3
79.05497	5.1
81.03417	6.7
81.07060	4.6
83.04989	100.0
83.08620	1.2
84.05332	1.4
90.96319	0.7
91.05495	6.8
93.07060	2.5
93.09431	0.7
95.04974	5.1
95.08619	1.1
97.06548	2.7
97.10164	1.4
105.07049	7.2
107.04967	3.4
107.08614	1.7
109.06519	2.0
109.10210	1.2
115.05478	2.1
117.07026	3.6
119.04980	2.0
119.08571	2.8
121.06498	2.4
121.10177	1.3
122.19096	0.8
123.04438	1.5
123.08064	1.0
125.09636	2.5
128.06233	3.3
129.07024	5.6
130.07817	1.1
131.04913	2.0
131.08569	5.4
131.40184	0.8
133.06485	2.3
135.04442	3.0
135.08081	1.0
141.06998	6.7
142.07811	1.3
143.08585	6.0
145.06497	3.3
145.10190	4.8
147.04410	1.5
147.08034	2.3
148.39908	0.8
152.06174	0.9
153.07010	3.1
154.07803	6.5
155.08583	6.2
157.06529	1.9
157.10123	3.0
158.07347	1.2
159.04448	3.2
159.08089	3.4
159.11723	1.9
161.06024	1.0
165.06958	1.4
167.08614	1.6
169.06493	1.3
169.10153	12.8
171.08090	3.0
173.05936	4.9
173.09636	3.5
175.03934	1.4
175.07581	1.5
175.11288	0.9
178.07732	1.1
179.08597	2.9
181.06488	1.2
181.10161	2.1
182.07338	2.2
183.08102	1.9
185.09663	3.1
187.07573	2.1
187.11234	5.3
193.12408	1.6
197.09639	12.1
199.07642	1.7
199.11238	2.6
201.05539	1.6
201.09093	4.3
213.09154	3.4
215.10696	13.0
225.09090	10.4
227.10606	1.3
231.10219	2.3
233.11754	1.1
243.10193	22.2
245.08151	3.9
245.11687	1.1
261.11227	10.9
267.15918	4.0
279.12216	1.0
325.14279	7.0
343.15491	5.3
367.22702	2.0
374.91492	0.9
379.17581	8.5
385.23663	1.8
387.12726	1.0
390.15924	0.9
459.27441	10.7
477.28497	12.3
485.19278	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	11.2
55.01865	8.6
55.05513	32.7
57.03440	16.1
57.07072	5.6
61.02926	3.6
65.03935	8.6
67.05508	100.0
67.77113	2.1
69.03432	17.6
69.07066	30.7
71.01349	2.2
71.04990	3.8
71.08609	2.6
71.52174	2.4
73.02905	6.1
79.05497	98.1
81.03426	18.4
81.06591	5.1
81.07059	89.1
83.04973	10.0
83.08604	15.2
85.02893	9.4
85.06525	2.8
86.09700	8.7
86.34721	2.1
91.05486	87.4
93.07049	89.9
93.07642	5.2
95.04981	22.9
95.08611	65.2
97.02882	10.1
97.06532	8.8
97.10152	5.7
103.03930	3.5
103.05472	4.3
105.04516	7.0
105.07035	69.5
107.04953	10.5
107.08604	50.2
109.02888	10.5
109.06509	8.9
109.10151	24.7
111.04420	6.1
111.08084	5.0
115.05457	9.5
116.06259	3.8
117.07024	36.7
119.08583	49.5
119.85847	2.5
121.06522	11.7
121.10149	36.2
123.04428	3.1
123.08106	6.1
123.11707	7.9
125.00018	5.3
125.09727	2.5
127.03918	8.0
128.06236	11.8
129.07005	25.3
130.07796	4.8
131.08582	48.3
133.06505	8.0
133.10135	35.4
135.08086	11.4
135.11679	18.7
141.06996	12.8
142.07813	5.4
143.08551	28.4
145.06506	8.1
145.10127	37.8
147.08022	6.7
147.11687	19.1
149.09608	5.4
149.13251	5.9
153.06956	4.3
154.07748	4.6
155.08530	14.4
156.09282	2.9
157.06517	4.0
157.10135	21.3
159.08078	12.4
159.11705	23.8
161.06058	2.9
161.09607	6.0
161.13254	11.8
163.11136	5.6
165.07011	2.9
165.12660	2.4
166.07840	2.8
167.08539	12.3
168.09282	6.7
169.06381	2.3
169.10104	16.9
171.08023	8.0
171.11673	16.4
173.09602	7.4
173.13225	14.8
175.11180	9.1
175.14809	3.3
179.08559	4.2
181.10114	10.5
183.08055	4.6
183.11688	16.0
184.07333	25.0
185.09633	6.6
185.13266	10.8
187.11201	7.4
187.14819	4.5
189.09122	2.5
189.12793	5.2
193.10136	4.8
195.08049	5.3
195.11711	9.6
195.13541	2.7
196.08910	2.3
197.09624	4.4
197.13220	10.9
199.11160	8.6
199.14838	5.3
201.12746	5.4
203.14307	3.3
207.11731	2.9
209.09625	3.2
209.13251	5.7
211.11092	4.9
211.14761	5.1
213.12685	5.3
213.16322	3.4
215.10767	3.6
215.14296	3.0
221.13377	2.7
222.02083	2.5
223.11143	2.8
223.14792	5.1
225.16411	4.9
237.12898	2.6
239.17929	3.3
241.19565	2.6
243.21059	4.4
251.17979	2.4
257.18976	5.6
259.20557	8.9
261.22058	5.9
261.81097	2.3
269.18982	3.1
271.20609	4.3
273.22086	3.3
276.20078	2.4
283.20609	3.5
284.61368	3.3
285.22064	3.1
287.20087	4.6
297.34821	2.6
299.20114	3.3
301.21732	7.5
313.21652	7.4
315.23264	4.1
321.22290	4.6
325.21759	10.7
335.22141	2.7
335.25861	43.4
337.21609	4.5
339.23309	6.7
343.22748	7.1
349.21536	10.7
367.22690	21.1
385.23706	10.1
387.25262	2.7
399.25385	2.7
403.24661	8.1
417.26297	3.0
441.26276	6.6
459.27441	8.0
477.28610	7.4
583.43359	3.3
609.44604	4.0
635.46149	5.0
677.47034	4.4
701.47705	17.0
719.48657	12.6
737.50104	17.7
755.51312	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	755.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.01857	2.0
55.05514	62.2
65.03942	2.9
67.01867	2.6
67.05505	4.9
68.24191	1.2
77.33395	1.5
79.05498	7.6
81.03419	2.0
81.07063	2.8
83.04987	100.0
91.05481	10.6
93.03350	1.5
93.07042	6.2
95.04976	13.3
95.08664	1.6
98.21519	3.7
103.05493	2.9
105.07063	6.3
107.04961	4.7
107.08579	3.2
109.06501	2.1
109.68061	1.3
111.04457	1.7
115.05457	5.0
117.07011	6.2
119.04961	1.8
119.08591	1.7
121.02885	1.6
121.06512	7.5
123.04464	2.5
124.99946	1.5
128.06253	7.0
129.07013	8.7
131.04887	3.0
131.08566	4.4
133.06442	2.1
135.04384	5.4
135.08044	2.6
141.06992	8.6
142.07811	7.1
143.08556	6.5
144.08003	1.2
145.06491	4.8
145.10077	1.6
147.04419	3.5
147.08070	1.6
149.06006	2.3
152.06213	3.3
153.06992	4.2
154.07800	7.1
155.08569	5.0
157.06496	4.1
157.10155	7.4
158.07259	1.8
159.04434	4.4
159.08051	9.6
159.11732	1.5
161.05966	1.9
163.03915	2.0
163.07489	2.0
165.06981	3.1
166.07610	1.8
167.08563	6.2
169.06461	2.8
169.10159	9.3
170.07271	3.4
171.08054	6.2
173.05968	3.4
173.09656	2.2
175.07524	3.5
175.11159	4.2
179.08560	3.0
182.07213	2.4
184.07387	3.2
185.06041	2.7
185.09631	15.1
187.07588	12.2
189.09082	2.8
195.08028	4.5
197.09592	7.4
198.06763	1.4
199.07576	3.1
199.11118	2.2
203.10628	4.0
213.09117	16.8
215.07082	1.4
215.10657	5.7
217.08559	2.5
225.09108	3.8
227.10719	2.6
229.08533	1.7
231.10086	1.9
241.08580	9.2
243.10132	9.5
245.08183	2.0
245.11798	9.1
258.27902	3.2
259.09677	60.5
261.11246	2.4
275.09216	1.8
325.14450	1.8
341.13840	33.1
359.14709	2.3
400.76691	1.5
687.63885	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.8
55.01859	3.2
55.05517	62.1
57.07086	10.8
65.03946	2.0
67.01884	4.9
67.05511	16.2
67.97870	2.0
67.99874	2.1
68.99786	7.6
69.03433	3.8
69.07075	17.0
71.08615	5.0
74.09709	4.2
79.05496	11.2
81.07060	16.3
83.04987	62.6
83.08613	12.6
83.61107	1.8
85.02905	4.2
91.04994	2.0
91.05486	13.0
93.07027	7.3
95.04997	13.4
95.08615	11.4
97.02885	2.8
97.06523	4.5
97.10168	7.6
103.05467	2.2
105.07045	7.3
107.04954	6.0
107.08614	5.2
109.06526	5.0
109.10161	7.4
111.00773	2.7
111.04471	13.9
115.05457	6.9
117.07023	7.7
119.04957	3.0
119.08570	7.1
121.06495	3.4
121.10175	3.7
123.04438	6.7
123.08101	3.1
127.11180	3.4
128.06227	7.2
129.07036	6.5
131.04936	3.1
131.08571	5.2
133.06508	5.7
133.10136	3.3
135.04430	10.6
137.05980	3.6
137.09608	2.9
139.03917	12.1
139.07639	2.5
141.07001	5.2
142.07829	2.6
143.08553	5.7
145.06497	8.8
147.08047	4.2
151.17508	2.4
152.06224	3.3
153.05470	4.7
153.06972	7.8
154.07724	2.7
155.08560	7.9
157.06470	4.3
157.10156	4.3
159.08073	8.3
159.11658	2.9
161.05959	3.7
163.03893	4.4
165.05502	8.5
165.07008	19.8
166.07739	10.5
167.07233	2.2
167.08516	10.4
169.06500	2.1
169.10060	3.0
170.07277	5.3
171.08064	6.7
173.06071	4.8
173.09566	3.8
177.05464	5.8
178.07809	7.4
179.03453	2.7
179.07094	3.2
179.08574	7.8
181.06535	4.4
181.10117	14.4
182.07239	2.9
183.08069	10.7
183.11673	2.7
184.07338	5.8
185.09627	4.1
187.07524	3.4
189.05518	4.5
189.07043	3.1
189.09151	3.1
191.07039	4.5
191.08582	6.5
192.09323	2.7
193.10149	3.9
194.07272	3.8
195.08067	16.1
197.09651	5.6
199.07545	4.0
201.09167	2.4
203.08630	2.6
207.06500	7.6
207.08128	8.8
207.11844	2.7
209.06090	2.3
209.09653	26.3
211.07544	7.0
213.05545	2.6
213.09091	7.6
215.06908	3.1
219.08025	5.8
221.09639	4.9
222.06808	3.2
223.07483	11.0
223.11128	3.4
225.09145	8.6
227.07048	5.1
227.10713	5.5
229.08565	6.2
233.09720	3.3
235.07541	9.5
235.11298	2.8
237.09116	35.1
239.10684	5.9
241.08549	11.1
247.07504	3.8
249.09082	5.6
251.10654	4.0
253.08522	5.1
255.10147	7.5
261.09097	4.5
263.07062	8.9
265.08649	23.7
265.11746	3.2
267.10205	3.3
277.08548	3.1
279.10165	6.0
281.08105	6.4
283.09671	21.7
291.06476	6.9
293.11804	4.4
303.10358	3.2
304.26373	3.1
307.09573	3.2
309.07547	9.7
313.27496	3.3
321.11240	6.2
323.12741	2.5
325.10938	3.8
327.08569	4.4
331.09644	3.0
335.29434	7.2
349.10690	8.3
351.12048	3.1
367.11804	7.8
377.30414	4.0
379.22232	3.0
385.13208	3.2
395.31558	3.1
399.25235	4.7
459.21478	2.8
571.37811	6.5
589.38599	6.4
599.37469	20.1
617.38416	31.1
618.38513	2.2
635.39319	25.2
636.38525	2.1
653.40509	100.0
654.40710	5.8
735.43268	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.01879	2.6
55.05516	78.7
57.25016	1.1
58.87997	1.0
63.18324	1.0
63.34693	1.1
65.03942	3.0
67.01857	2.4
67.05492	3.9
69.03418	5.4
71.12177	2.1
77.63753	1.0
78.78692	1.2
79.05503	7.0
81.03413	2.5
83.04987	100.0
85.02902	2.0
91.05482	12.5
93.07036	5.6
95.04973	13.4
95.08598	2.0
97.02880	4.5
97.06546	2.6
100.11238	2.2
103.05450	2.7
105.07047	8.4
107.04950	4.5
107.08586	2.8
109.02881	2.0
109.06550	3.2
111.04427	3.5
115.05467	6.6
117.07026	8.7
119.04965	2.1
119.08561	3.9
121.06503	6.5
123.04483	1.9
128.06224	11.4
129.07025	12.4
131.04926	2.7
131.08557	5.4
133.06474	4.9
135.04437	3.9
135.08034	1.5
137.05981	3.1
141.05449	1.9
141.07007	9.7
142.07771	14.8
143.08568	10.9
144.05745	1.6
144.19907	1.3
145.06461	8.4
145.10156	2.8
147.04446	2.0
147.08069	3.7
149.05980	2.6
152.06204	8.6
153.05684	1.4
153.06985	7.3
154.06284	3.8
154.07794	6.1
155.08543	6.2
157.06477	4.7
157.10141	10.5
159.08080	7.7
161.06064	6.3
161.09641	2.9
163.03856	1.4
163.07550	2.5
165.05588	1.5
165.07004	4.8
165.08986	1.2
166.07764	2.2
167.07104	1.7
167.08575	18.2
169.06483	2.6
169.10097	6.5
170.07262	5.0
171.08054	11.7
173.05891	3.0
173.09608	3.5
174.06769	1.3
175.03792	1.1
175.07594	13.7
175.11147	3.3
179.08549	3.0
181.06471	3.9
182.07271	1.8
183.08067	2.7
185.09621	22.6
185.11255	1.4
187.07533	5.2
187.11224	1.7
189.05553	1.5
189.09091	2.9
193.10100	1.4
195.08047	16.3
197.05991	2.8
197.09601	9.7
198.06758	2.3
199.07597	7.6
201.09158	2.1
203.06975	1.7
203.10698	2.9
211.07559	1.5
213.09114	34.4
215.07042	5.0
215.10680	4.2
217.08646	4.0
217.24620	1.4
223.07506	6.9
225.09099	3.6
229.08505	2.8
231.10089	10.1
237.91541	1.3
241.08615	50.1
242.09044	2.6
243.10115	7.9
259.09656	29.5
263.10983	1.6
277.10596	4.6
293.42990	1.3
300.00183	1.2
318.14816	1.4
341.13800	3.8
343.15451	5.4
359.14954	2.4
377.15421	1.8
381.14517	1.4
387.14569	3.6
413.17099	2.4
441.18713	1.7
469.16513	1.7
471.17963	1.6
487.17865	1.9
499.17374	2.8
505.18497	2.8
512.20148	2.3
535.19208	2.5
553.20862	1.6
617.23682	4.8
635.24725	3.0
717.29321	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	753.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44177	0.7
53.03952	4.7
55.01873	2.6
55.05514	67.3
62.20787	0.7
65.03953	8.9
67.01864	1.9
67.05508	4.0
69.03424	2.0
69.07062	1.0
70.17358	1.4
70.17726	3.2
77.03944	0.8
79.05494	6.3
81.03413	1.5
81.07062	1.6
83.04984	100.0
84.05300	0.8
91.05486	10.4
93.03396	4.4
93.07054	4.2
95.04968	10.0
97.06544	1.2
98.21452	0.9
103.05473	2.7
105.04501	0.9
105.07047	9.4
107.04974	4.9
107.08591	1.9
109.02848	1.2
109.06504	2.3
109.10120	1.2
111.04436	1.2
115.05463	5.7
116.06273	1.0
117.03367	0.9
117.07047	4.6
119.04945	2.8
119.08582	2.6
121.02884	8.5
121.06487	2.9
123.04495	0.9
128.06235	8.9
129.07021	12.9
131.04910	2.0
131.08589	4.2
133.06505	7.6
135.04434	3.2
135.08035	1.0
141.06987	9.0
142.07790	15.4
142.08827	1.6
143.08578	7.0
145.06493	5.1
145.10144	1.8
147.04443	2.0
147.08025	1.7
149.05943	0.9
152.06209	5.8
153.06989	5.8
153.96976	0.8
154.07759	6.5
155.06050	1.1
155.08569	7.5
156.09322	0.8
157.06499	4.3
157.10118	9.9
158.07298	1.1
159.04405	6.4
159.08051	4.2
159.11719	1.2
161.05988	14.9
161.30769	0.8
165.05592	1.0
165.06981	4.1
166.07715	2.2
167.08589	10.7
169.06482	3.0
169.10114	6.9
170.07315	4.7
171.08032	5.8
173.05966	2.7
173.09592	4.3
173.82901	1.0
175.07391	1.0
175.11177	5.5
178.07942	0.8
179.08571	2.2
183.08075	2.5
185.06006	1.4
185.09622	19.9
187.07536	4.7
187.11211	1.6
189.09238	1.1
195.08051	9.9
197.05966	1.3
197.09651	6.3
198.06802	1.7
199.07536	4.7
199.11151	1.1
201.09073	5.8
211.07494	2.0
213.09106	29.2
215.07034	2.5
215.10722	3.5
217.08624	3.5
223.07571	3.0
225.09196	2.5
225.12723	0.9
229.08586	1.4
231.10153	1.7
241.08569	19.0
243.10193	15.3
247.09630	1.4
259.09689	16.1
275.09021	0.8
313.14429	3.0
323.12979	1.1
330.06601	0.8
341.13852	37.0
343.15341	1.4
346.27643	0.8
359.14871	1.8
375.77795	1.0
382.25400	1.0
550.19891	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.1
55.01866	1.2
55.05515	85.1
65.03938	1.8
67.01884	0.7
67.05511	3.4
69.03434	4.7
69.07066	1.6
69.71171	4.2
70.87135	0.6
71.05004	1.4
79.05491	5.8
81.03396	1.0
81.07046	1.1
83.04987	100.0
83.17070	0.7
83.86907	0.7
84.05284	1.0
85.02894	0.9
89.19500	0.7
91.05489	12.6
93.07052	4.6
94.58768	0.6
95.04974	14.9
95.08628	0.8
97.02900	5.8
97.06538	2.4
99.04459	1.4
99.61377	0.7
103.05470	2.7
105.07049	8.4
107.04951	3.7
107.08638	1.0
109.02914	1.2
109.06541	2.5
111.04472	2.4
113.05975	0.9
115.04002	0.9
115.05461	5.1
116.06222	0.6
117.07019	6.3
119.04964	2.8
119.08601	4.0
121.02891	0.7
121.06498	6.1
123.04443	2.5
123.08068	0.7
125.06012	0.8
128.06230	6.0
129.07033	6.8
130.07840	1.3
131.04944	2.0
131.08598	4.8
133.06509	5.1
133.10179	1.5
135.04440	3.3
135.08083	2.0
137.06007	2.3
141.05438	4.0
141.07002	5.1
142.07784	6.2
143.08566	7.5
144.05753	1.1
145.06494	5.8
145.10130	1.7
147.04424	1.6
147.08075	3.2
149.05994	4.6
151.04033	0.8
152.06253	2.5
153.05775	0.8
153.06972	4.8
154.07780	2.6
155.06030	1.1
155.08536	6.0
157.06491	3.2
157.10152	3.3
158.07288	1.1
159.04375	1.5
159.08034	3.8
159.11757	1.2
161.05983	5.8
161.09641	1.0
163.03874	0.9
163.07503	3.3
165.05525	3.2
165.07065	3.6
166.07768	1.2
167.07191	1.2
167.08603	5.6
169.06499	2.2
169.10098	4.1
170.07329	1.9
171.04395	1.0
171.08049	9.0
173.06075	3.6
173.09671	2.0
175.03972	0.9
175.07578	3.5
175.11211	0.8
177.05473	2.0
178.07855	1.4
179.07149	1.3
179.08583	3.9
180.09360	1.0
181.06508	1.9
181.10158	2.1
182.07254	1.9
183.08112	2.0
185.06020	1.7
185.09630	8.5
187.07503	4.6
187.11238	2.2
189.05482	1.7
189.09085	3.9
190.07852	0.9
191.07079	2.6
191.08565	0.9
192.09352	1.2
193.10161	1.9
195.08038	6.2
197.06007	2.4
197.09619	4.4
198.06804	1.1
199.07536	4.6
201.09225	2.2
203.07050	1.1
203.08688	1.5
203.10652	1.0
205.10162	1.6
207.08165	1.0
207.09973	0.9
207.11774	1.5
209.09724	2.4
211.07605	3.0
211.11282	1.0
213.09119	9.6
215.07030	1.8
215.08833	1.3
215.10780	2.4
217.08650	4.5
217.10471	1.2
219.08237	1.1
219.11829	1.2
220.08862	0.9
221.09714	1.6
223.07596	2.4
225.09149	3.4
225.13020	0.9
229.08508	1.0
231.10164	2.1
232.08885	1.4
233.09747	1.5
235.07529	0.8
235.09537	1.5
237.09322	1.2
239.10712	1.2
240.09572	0.8
241.08475	8.0
243.10002	3.9
245.09727	1.6
247.07727	0.8
247.11143	1.1
249.09187	1.7
251.10796	2.1
252.09457	0.8
258.10657	0.9
259.09586	10.3
261.09122	1.5
263.10947	1.4
265.08411	0.9
267.09906	0.8
271.11469	1.0
273.12836	1.0
275.10693	1.1
277.10602	2.5
279.10187	1.4
281.11832	1.0
283.11176	2.1
285.12775	1.2
287.10880	1.0
291.10379	1.1
295.11078	0.8
297.11450	1.0
301.12228	1.1
309.12433	0.9
311.14139	1.0
323.14087	0.7
327.12585	1.1
331.13263	1.2
335.14310	0.9
341.14133	4.7
353.15259	1.1
355.13159	1.5
373.14706	1.1
381.14816	2.6
385.14307	1.2
387.15201	0.9
389.13834	1.2
395.16330	1.1
399.15948	1.4
409.14359	0.8
415.15332	0.9
423.15997	2.1
427.15369	1.7
431.14487	0.9
441.17090	3.2
445.16254	0.8
445.57346	0.7
451.15540	0.8
453.16879	1.3
459.17987	2.4
469.16440	5.0
471.18243	1.2
475.17673	1.3
477.19128	1.2
487.17639	6.7
499.17682	1.7
505.18686	7.1
505.25818	1.2
517.18677	2.7
523.19800	2.3
535.19678	3.6
553.20856	2.0
605.23871	1.6
635.25067	3.7
653.25757	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	752.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.05514	8.5
57.03440	13.1
57.07080	28.4
67.05509	14.6
67.86109	1.3
69.03429	2.4
69.07085	7.8
71.04998	1.8
71.08640	17.3
71.51155	2.2
79.05498	7.5
81.03422	57.4
81.07066	16.1
83.04987	4.1
83.08622	18.2
84.32616	1.2
85.06508	1.6
85.10196	8.1
87.04475	1.7
91.05492	12.3
93.07035	7.3
95.04978	15.4
95.08617	18.0
97.02868	1.6
97.06517	2.0
97.10176	5.5
105.07049	9.8
107.04961	3.1
107.08616	1.7
109.06518	2.2
109.10169	7.3
111.08070	4.3
111.11710	2.0
117.07030	2.5
119.08605	7.1
121.06506	1.3
121.10178	4.9
123.08069	2.1
123.11695	2.9
129.07007	4.8
131.08583	4.8
133.06503	1.6
133.10103	3.1
135.11676	1.6
137.13213	1.8
147.08055	2.6
147.11703	5.0
149.09633	3.8
157.10118	6.4
159.11711	1.2
165.09137	1.3
175.11179	7.7
184.07370	3.8
193.12242	20.6
231.61900	1.4
239.23422	1.4
249.14912	1.8
257.24844	2.7
267.15939	100.0
268.16187	2.0
309.16962	2.4
313.27386	92.2
314.27695	2.3
337.27277	1.3
392.80243	1.2
505.38919	77.0
506.38907	3.4
547.39862	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.3
55.01846	2.0
55.05517	16.7
57.03444	17.0
57.07083	22.3
65.03944	2.7
67.05509	45.6
67.89252	1.7
69.03427	3.2
69.07068	18.1
69.54649	12.5
71.04993	5.6
71.08634	18.0
75.20477	1.8
79.05499	31.6
81.03421	39.6
81.07063	45.9
82.97102	1.7
83.05011	8.7
83.05427	1.8
83.08627	25.7
85.02905	4.5
85.06525	2.0
85.10202	8.6
86.09701	5.9
89.73602	1.7
91.05481	25.7
93.07046	29.5
95.04971	28.1
95.07999	1.9
95.08607	38.5
97.06523	6.5
97.10183	3.9
98.20827	2.9
105.07038	25.4
107.04962	14.1
107.08603	19.1
109.06499	4.8
109.10163	20.0
111.04411	3.5
111.08083	5.5
117.07004	8.3
119.07816	2.2
119.08598	21.2
121.06501	4.8
121.10172	11.9
123.08038	3.4
123.11684	3.0
125.00060	2.6
129.07002	7.0
131.08609	9.7
133.06485	8.3
133.10126	12.4
135.11694	8.1
137.09636	3.5
143.08545	5.9
145.10091	5.5
147.11697	9.6
149.09605	2.2
149.13295	2.7
157.10114	5.0
159.11623	3.8
161.13258	6.0
163.11201	5.0
175.11201	5.7
177.12709	2.3
179.14349	14.1
184.07359	11.0
185.13246	5.4
193.12228	22.5
203.14291	4.7
221.15382	33.1
229.14238	2.9
249.14882	2.2
267.15945	60.4
268.16202	3.3
285.17020	4.6
295.19031	15.1
304.26178	2.2
309.17188	3.2
313.27359	64.6
314.27911	1.9
320.25937	2.9
328.78229	2.1
335.25836	56.5
445.82288	2.1
505.38977	50.6
506.39011	2.1
555.40466	100.0
556.40637	6.6
622.27338	3.7
623.27631	4.2
752.46643	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.05518	62.3
59.65182	1.1
63.48539	1.5
65.03939	3.4
66.13912	1.1
67.01864	3.9
67.05499	3.3
69.03440	1.3
69.46606	9.1
78.15277	1.2
79.05470	6.5
81.07044	1.7
83.04988	100.0
83.29425	1.3
91.05489	9.3
93.07044	7.8
94.59273	1.1
95.04370	2.7
95.04974	42.7
96.79659	1.3
103.05496	3.2
105.03435	1.3
105.04528	1.4
105.07046	3.5
107.04960	6.3
107.08582	2.6
109.06524	1.7
111.04481	1.4
111.31834	1.2
115.05453	6.3
117.07019	4.7
119.04968	4.3
119.08593	2.8
121.02880	2.3
121.06523	4.4
122.16776	1.3
123.04452	2.5
128.06200	7.8
129.07005	16.4
131.04912	2.2
131.08594	3.0
135.04449	4.8
135.07979	2.6
137.06004	1.5
141.06976	10.1
142.07796	28.5
143.08601	8.2
145.06462	4.1
145.10161	1.8
147.04436	12.6
149.06010	1.5
152.06242	7.4
153.07063	6.4
154.07767	5.3
155.08571	3.6
157.06509	5.9
157.10132	16.5
159.04428	18.6
159.08034	4.0
161.05934	2.7
161.09564	1.9
165.07025	3.2
166.07718	2.1
167.08600	14.5
169.06454	3.6
170.07259	6.7
171.08081	6.3
173.06012	2.5
175.11195	10.8
177.05525	2.0
183.08093	2.8
185.06042	2.3
185.09639	30.7
187.07550	3.6
189.05620	1.4
195.08057	10.3
197.05986	1.7
197.09627	1.8
198.06747	2.6
199.07559	4.2
201.09059	2.3
213.09122	43.0
215.10677	1.6
217.08659	2.8
223.07591	2.7
229.08633	2.2
231.10233	2.4
241.08594	25.6
259.09665	18.1
267.13763	1.4
313.14355	7.4
323.12775	2.0
341.13879	70.5
342.14035	2.9
343.15515	1.5
359.14847	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	751.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.01879	1.8
55.05515	60.3
56.96564	2.7
59.05002	1.4
61.02904	0.8
65.03956	4.5
67.01862	1.3
67.05507	6.5
69.03416	3.2
69.36979	6.4
71.05009	1.1
74.09711	1.5
79.05499	7.2
81.03415	1.5
81.07060	5.7
83.04985	100.0
85.02899	1.6
85.06539	3.1
91.05486	14.6
93.03402	3.2
93.07042	7.1
95.04975	17.4
95.08608	2.3
97.02890	2.8
97.06527	1.1
98.97589	2.1
99.08099	1.5
100.37775	0.8
103.05476	2.3
105.07029	7.8
107.04966	3.1
107.08602	3.3
109.06510	2.3
111.08083	1.5
112.99162	0.9
115.05468	4.2
117.07033	6.0
119.04948	2.6
119.08565	4.2
119.58465	0.8
121.06506	4.5
121.10155	0.9
123.04446	0.8
123.08059	3.1
126.39371	0.7
128.06206	7.0
129.07011	8.5
130.07800	1.5
131.04880	0.8
131.08583	6.1
133.06560	2.4
133.10091	0.8
135.04413	2.9
135.08032	2.5
137.05942	2.2
141.07005	8.2
142.07777	4.6
143.07491	1.1
143.08578	8.8
145.06502	3.7
145.10126	3.6
147.04370	2.4
147.08058	4.0
147.50017	0.8
149.01219	1.4
149.06003	1.8
152.06165	1.4
153.07018	3.8
154.07736	6.0
155.06049	1.1
155.08585	6.5
156.09361	2.3
157.06519	3.2
157.10135	5.5
158.07222	2.0
158.99695	1.3
159.04410	1.2
159.08066	3.4
159.11676	2.1
161.05991	3.3
161.09644	2.3
163.04024	1.2
163.07547	1.4
165.05562	2.0
165.07022	2.8
166.07799	2.5
167.08594	3.2
168.09360	1.0
169.06441	1.9
169.10130	12.2
170.99716	1.0
171.08060	4.9
171.11775	4.7
173.05939	1.1
173.09621	3.8
175.07567	1.5
175.11224	1.6
179.08553	3.3
181.06499	1.2
181.10089	4.4
182.07277	3.0
183.08054	1.3
183.11696	0.9
184.08820	1.6
185.09639	6.0
187.07526	1.9
187.11226	2.6
189.09135	2.2
195.07976	1.8
196.08777	1.2
197.09642	10.4
198.06810	1.1
199.07446	1.5
199.11214	7.4
201.09068	3.0
203.10672	1.8
209.09686	1.5
213.09052	5.4
215.07092	1.0
215.10580	4.6
217.08612	2.2
217.12254	3.6
219.01866	0.9
225.09108	5.3
227.10645	3.3
231.10187	1.5
241.08595	3.5
243.10179	16.0
245.08156	2.0
245.11731	4.7
249.14848	12.6
251.10872	1.2
255.10121	0.9
257.11639	2.2
259.09631	4.7
261.11224	3.2
275.12796	5.4
277.14413	10.1
293.05392	1.0
295.13324	1.3
297.11154	1.9
305.58173	0.7
313.14383	1.5
321.04968	1.4
323.12759	1.5
341.13861	29.0
343.15436	25.4
343.19553	0.7
348.19519	0.9
358.16550	1.0
455.73016	0.9
715.31787	1.6
723.06519	0.9
733.31848	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.9
55.01871	1.6
55.05513	68.6
59.04958	1.0
65.03945	2.0
67.05491	2.5
69.03413	1.8
69.66284	5.1
79.05507	5.3
81.03424	1.9
81.07047	2.9
83.04983	100.0
85.02911	1.5
85.06548	1.8
91.05483	13.7
93.07069	5.7
95.04973	5.8
98.21513	1.1
103.05498	1.1
105.07037	5.9
107.04944	4.0
107.08588	1.8
109.02869	1.4
109.06512	1.9
111.04397	1.0
115.05486	4.9
117.07003	5.3
119.04941	4.1
119.08540	2.3
121.06504	3.1
122.07302	1.1
123.04356	1.3
125.05981	1.4
128.06233	7.8
129.06999	10.0
130.07730	1.1
131.04893	1.3
131.08545	3.0
133.06459	2.3
135.04378	5.1
137.05974	2.4
137.09752	0.8
140.06224	0.8
141.07004	8.6
142.07782	5.6
143.08554	9.0
145.06520	5.0
145.10130	2.7
147.04427	2.4
147.08023	3.8
152.06189	2.9
153.07037	4.3
154.07750	10.8
155.06044	1.0
155.08575	5.3
156.09337	1.4
157.06473	3.0
157.10126	5.7
158.07295	1.9
159.04399	1.4
159.08014	3.2
161.05989	1.5
161.09599	2.2
163.03951	1.5
165.05461	4.3
165.06985	2.7
166.07800	1.9
167.08586	7.0
169.06514	1.7
169.10132	11.6
170.07211	2.6
171.08069	8.5
171.11711	1.8
172.08769	1.8
173.05963	2.8
173.09584	2.6
175.07588	1.1
175.11182	2.3
176.48412	1.0
177.09039	1.0
178.07845	2.3
179.08595	4.2
181.06458	2.0
181.10106	1.0
182.07275	3.1
183.06578	1.0
183.08078	2.4
185.05954	0.9
185.09648	9.9
187.07533	1.9
187.11182	2.6
189.09096	1.1
195.08047	2.5
197.09630	15.7
198.06813	0.9
199.07532	2.4
199.11191	1.8
199.13423	0.8
201.09064	1.9
203.10605	1.4
211.07593	1.0
213.09099	9.4
215.07007	1.5
215.10710	5.3
217.08594	1.2
223.07585	1.2
225.09065	8.8
231.10156	2.9
241.08554	6.7
243.10172	28.1
245.11673	2.2
259.09592	7.7
261.11246	2.8
269.34341	1.0
273.11310	2.8
274.54449	0.9
277.25653	0.9
323.06500	1.0
341.13861	15.0
343.15405	23.9
359.14670	1.5
483.17761	1.0
601.24078	1.1
772.65643	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	6.6
53.04164	1.6
55.01865	2.5
55.05518	81.6
57.67284	1.2
58.83329	1.1
59.04991	2.0
59.35756	1.1
61.13913	1.1
64.13581	1.1
65.03960	3.3
67.05503	3.9
69.03416	5.0
69.07076	2.6
70.06617	1.4
71.04977	3.7
71.51453	2.1
73.34136	1.1
79.05508	8.1
81.03420	3.4
81.07061	2.6
83.04991	100.0
84.80994	1.2
85.02887	1.6
85.06564	7.2
85.18339	1.1
91.05495	14.8
93.07066	6.3
94.69144	1.1
95.04964	5.7
97.02911	7.4
97.06513	2.7
99.04466	12.6
99.08099	1.7
103.05475	4.8
105.07043	17.4
107.04955	5.5
107.08618	1.9
109.06514	2.3
115.05463	8.7
116.06228	1.3
117.07034	11.0
119.04942	3.3
119.08602	6.7
121.02863	1.1
121.06515	5.9
123.04451	4.0
125.05946	1.9
128.06255	9.3
129.05528	1.5
129.07018	13.2
131.04950	3.0
131.08578	7.7
133.06461	3.8
135.08046	5.4
137.05992	2.7
141.07018	9.0
142.07805	6.5
143.08563	9.5
145.06494	8.5
145.10120	4.2
147.04497	1.7
147.08046	5.2
149.05949	3.5
152.06221	5.1
153.07043	8.9
154.07805	9.6
155.08578	12.5
156.09229	1.3
157.06567	6.1
157.10138	5.2
158.07306	1.5
159.04443	2.3
159.08093	6.7
159.11708	1.8
161.06001	5.6
163.07562	4.0
163.35767	1.4
165.07004	6.5
166.07784	3.7
167.08601	10.1
169.06438	3.8
169.10143	12.0
170.07289	1.9
171.08043	10.5
171.11610	2.2
172.08919	1.6
173.06026	4.8
173.09615	6.9
175.07538	5.5
177.09119	1.8
178.07790	4.2
179.08582	7.1
181.06531	5.7
181.08630	3.6
181.10115	5.7
182.07230	3.6
183.08073	5.5
183.11629	1.5
184.08888	1.8
185.06003	2.1
185.09636	7.7
187.07626	6.6
187.11194	3.7
189.05464	1.7
189.09102	4.3
190.07666	1.5
191.06999	2.8
191.08693	1.6
191.10689	1.3
192.09361	2.2
193.10175	3.7
195.08115	6.4
196.08679	1.2
197.05937	1.6
197.09644	14.6
199.07538	7.9
199.11229	3.9
201.05450	2.1
201.09027	7.1
202.07796	1.9
205.08496	1.4
205.10223	2.9
207.08179	2.5
209.09630	3.7
211.07538	3.0
211.11168	2.2
213.09081	10.2
215.08813	2.1
215.10674	8.3
216.09288	2.0
217.08519	2.7
219.08151	2.1
219.09966	2.2
219.11801	1.8
221.07922	2.4
221.09769	2.3
223.07591	3.8
223.11174	2.0
225.09134	10.4
227.07008	1.8
227.10675	4.3
230.11075	2.0
232.08849	1.5
233.09720	2.5
235.11256	2.8
237.09062	3.0
239.10742	2.8
241.08485	6.2
243.10120	12.0
245.11664	2.0
249.09090	2.2
251.10832	1.6
257.09558	2.4
259.09470	2.4
261.09106	1.9
263.10690	2.4
269.13416	1.9
275.10696	2.3
283.11130	1.6
287.13763	1.3
288.12021	1.4
289.08783	1.4
289.12173	2.2
301.12250	1.6
307.13708	1.4
309.12897	1.6
313.12161	1.4
315.13760	1.7
329.11810	1.4
341.14157	5.9
343.15359	2.4
379.16504	1.5
383.16504	2.1
407.16400	2.3
415.19647	1.5
425.17386	4.1
435.16074	1.3
443.18451	3.8
453.16885	3.8
455.19016	2.2
457.20377	1.5
459.17865	1.5
471.17963	7.6
473.19449	1.8
475.21207	1.7
483.18164	2.2
485.19351	2.3
489.18893	3.7
501.19159	3.2
503.20319	3.2
519.20013	1.9
521.21570	1.7
551.23016	2.9
589.24792	1.9
603.25250	1.9
619.25201	5.9
621.26672	1.6
651.27374	4.4
751.33209	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01886	0.7
55.05519	2.8
57.03440	3.1
57.07079	1.8
60.08153	0.4
61.02930	5.1
67.05508	7.4
69.03439	3.1
69.07069	2.1
69.27748	3.4
69.69732	0.4
71.01350	0.6
71.05012	1.9
71.08630	1.6
73.02928	3.6
79.05504	4.1
81.03421	5.7
81.07062	6.6
83.04990	1.0
83.08629	2.3
85.02901	4.7
85.10184	0.8
86.09724	1.1
87.04473	0.5
91.03967	2.9
91.05489	4.2
93.07050	5.4
95.04994	2.1
95.08611	5.1
97.02885	4.4
97.06545	1.0
97.10192	1.1
101.02404	1.5
105.07014	2.2
107.04971	0.7
107.08598	3.0
109.02899	1.3
109.06523	1.0
109.10161	3.2
111.08071	0.6
116.04555	0.3
117.07027	0.8
119.08601	2.5
121.06545	0.5
121.10155	2.5
123.11703	1.0
125.00068	0.7
127.03940	1.8
129.07027	0.7
131.08600	0.8
133.10162	1.3
135.08061	0.5
135.11714	1.8
137.09633	1.2
145.05119	0.6
145.10127	1.4
147.11742	0.8
148.85307	0.4
149.13321	0.4
157.10088	0.6
159.11626	0.5
160.11172	0.4
161.11600	0.4
161.13077	0.5
173.11810	0.5
173.13216	0.4
175.11221	0.5
184.07310	3.3
185.04359	0.8
185.07739	0.5
193.12268	1.9
195.00342	0.8
203.05309	0.4
227.14644	0.4
239.23630	0.7
243.08534	1.7
253.14326	1.4
258.08929	0.6
267.15982	3.9
297.20242	0.4
299.97720	0.4
309.16968	0.5
313.27399	4.3
335.26117	0.7
471.22083	3.7
505.39285	2.3
519.29395	7.1
520.29919	0.6
699.37354	0.5
729.72034	0.5
749.44452	100.0
750.44934	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	750.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.1
57.07082	2.0
58.73300	0.8
62.76564	0.8
67.05506	2.7
71.08649	1.1
71.50890	1.1
74.32310	0.8
79.05493	1.4
81.03427	2.7
81.07066	1.0
86.09715	3.0
87.04470	5.1
91.05505	2.6
93.07039	1.5
95.04984	1.8
95.08614	2.0
98.27536	0.8
101.94778	0.8
104.88137	0.8
105.07047	1.9
107.08638	1.1
109.10194	2.0
120.64616	0.8
124.97651	0.9
125.00040	2.8
147.11638	1.2
157.10269	1.1
184.07359	9.6
196.09949	1.6
210.11540	1.3
211.12273	1.4
212.13118	1.2
223.12404	1.3
224.13037	1.5
225.13879	2.7
226.14818	1.2
237.14017	1.8
239.15575	2.6
240.16255	1.1
250.65501	0.9
297.16019	1.2
309.66458	0.9
314.27701	1.0
333.97250	0.9
342.12341	0.9
379.19431	1.0
418.20572	1.9
453.19470	0.9
459.17987	0.9
470.19376	1.0
474.19031	1.5
475.20023	1.3
484.20831	1.1
488.21051	3.0
496.21600	1.2
502.22418	1.2
503.23044	3.4
510.22784	1.5
512.20947	1.8
516.24493	1.5
526.22034	1.2
530.25952	2.1
540.23712	1.4
547.21942	1.3
562.27081	2.0
570.24915	1.6
574.24628	2.5
576.26392	1.0
590.27600	2.4
599.25494	1.2
628.29626	4.2
634.27045	1.9
656.28577	14.6
688.31165	12.4
691.29547	3.0
700.27258	2.5
732.30029	4.6
750.31348	100.0
751.31860	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	749.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.4
55.01870	1.8
55.05514	69.6
59.05007	7.5
60.46554	0.7
61.17502	0.7
62.59123	0.9
64.45901	0.7
65.03945	6.7
67.05513	4.7
69.03419	2.0
69.07081	0.9
79.05496	5.0
81.03410	1.5
81.07050	1.6
83.04984	100.0
85.06531	4.6
86.09603	0.7
86.36564	0.8
89.06038	0.8
91.05482	17.3
93.03403	1.6
93.07024	2.9
95.04960	6.5
95.08588	0.8
97.02860	1.6
97.06547	1.4
103.05493	4.8
104.90849	0.8
105.03391	1.4
105.07030	7.8
107.04963	2.5
107.08600	2.5
109.02878	3.9
109.06509	2.3
111.08116	1.8
115.05461	9.5
116.06219	3.5
117.07043	7.8
119.04931	1.7
119.08585	1.1
121.02864	1.9
121.06509	2.8
123.04471	0.8
128.06233	10.6
129.07013	13.8
131.04924	4.9
131.08574	14.0
133.06483	4.3
135.08041	1.7
139.07516	0.9
141.06989	9.5
142.07790	5.4
143.08578	4.3
144.05704	2.5
145.06485	6.8
145.10115	3.1
147.04417	1.3
147.08063	1.7
149.05934	1.8
152.06212	2.6
153.06995	6.1
153.77122	0.8
154.07794	5.9
155.06007	1.8
155.08556	12.0
156.09120	1.1
157.06491	6.2
157.10104	3.3
158.07294	1.2
159.04434	8.3
159.08058	24.6
159.11682	1.4
161.06006	6.7
161.09647	1.2
165.07008	2.3
166.07777	1.0
167.08574	5.3
169.06537	2.0
169.10136	6.7
170.07294	1.1
171.07997	4.5
172.08823	1.5
173.05995	5.3
173.09641	5.1
175.07585	2.3
175.11278	1.0
179.08533	2.7
181.06465	1.4
181.10201	1.0
182.07269	2.4
183.08011	2.3
185.06001	6.6
185.09613	5.8
187.07549	91.8
187.11127	2.6
188.07918	1.8
189.09128	1.8
195.08054	2.9
197.09596	9.6
199.07626	4.7
199.11209	1.6
201.09125	11.8
209.09654	0.9
213.09157	5.5
215.07086	1.5
215.10652	6.4
217.08669	2.3
223.07483	1.2
225.09100	16.9
227.10693	2.1
229.08630	1.9
229.12187	1.9
241.08549	4.8
243.10165	15.5
257.08087	1.0
257.11737	8.5
259.09601	7.0
273.11221	1.6
275.12839	7.7
313.14395	1.1
341.13855	15.4
343.15451	1.3
551.28009	0.9
600.33496	1.0
749.40631	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	749.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.7
55.01865	1.7
55.05513	67.5
59.04993	0.7
65.03941	2.1
67.01871	2.0
67.05509	2.0
69.03433	1.8
70.13804	2.5
70.14144	0.7
79.05500	5.0
81.03420	1.7
81.07056	1.4
83.04984	100.0
85.02905	0.9
85.06545	1.9
91.05477	9.4
91.06013	0.7
91.15534	0.7
93.03433	1.3
93.07038	3.5
95.04983	6.0
97.02920	1.3
103.05492	2.7
105.03448	0.7
105.07024	6.3
107.04962	4.4
107.08638	1.2
109.02929	1.1
109.06536	1.4
110.39955	0.5
111.04473	0.9
115.05447	5.4
117.07009	5.7
119.04943	2.5
119.08596	1.7
121.02900	1.6
121.06532	2.2
123.04430	0.9
128.06232	9.8
129.07008	11.1
130.07848	0.6
131.04950	1.9
131.08554	3.9
133.06522	2.4
135.04448	2.3
135.08083	2.1
137.05966	1.0
141.06989	9.1
142.07780	15.6
143.08578	7.8
144.05711	1.3
145.06468	5.5
145.10173	1.0
147.04408	1.6
147.08092	2.6
149.06020	2.1
152.06219	6.9
153.06981	5.7
154.07780	6.1
155.06097	0.9
155.08562	4.0
156.09320	1.1
157.06503	4.1
157.10130	7.1
158.07272	0.9
159.04489	2.0
159.08018	3.7
159.11766	0.8
161.05997	4.6
161.09645	0.6
163.03949	0.7
163.07512	1.1
165.05681	1.1
165.07048	5.8
166.07819	2.6
167.08578	8.9
168.05725	1.0
169.06473	4.0
169.10126	5.8
170.07260	3.8
171.08052	6.4
171.09360	0.8
171.11742	0.8
173.05977	2.9
173.09586	1.7
175.07549	1.5
175.11188	3.8
177.05499	1.4
178.07845	2.4
179.08614	2.3
181.06522	1.5
181.10144	1.2
182.07350	1.7
183.08046	3.6
184.08881	0.7
185.06073	1.2
185.09616	17.1
185.11269	0.9
187.07539	3.9
187.11215	1.6
189.09152	2.0
193.10196	0.7
195.08058	9.5
195.11700	0.6
197.06020	1.0
197.09650	5.6
198.06845	1.1
199.07535	3.8
199.11220	0.9
201.09164	2.5
202.07771	0.7
203.08647	0.8
203.10687	0.9
205.10300	0.8
207.08145	1.1
209.09685	1.8
211.07602	1.9
212.08365	0.9
213.05795	0.9
213.09106	24.2
215.07025	1.6
215.10612	3.0
217.08620	2.0
223.07530	3.8
223.11288	0.7
225.09103	3.1
227.07034	0.8
227.10582	1.1
229.08643	0.8
231.10133	1.0
233.09622	1.1
235.11205	1.1
239.06938	1.0
239.10812	0.8
241.08603	17.3
241.12213	0.9
243.10161	9.8
245.11853	0.7
251.10657	1.4
255.10143	0.6
259.09555	6.2
263.10928	0.7
273.11377	1.6
277.12485	0.9
281.11890	0.6
295.13562	0.7
313.14539	1.5
323.12988	1.3
331.57172	0.7
341.13873	15.2
343.15390	5.1
377.13916	1.0
389.15543	0.7
471.18570	1.0
481.16385	1.0
499.17657	1.8
513.89966	0.7
531.20337	0.9
599.22797	0.7
617.23785	0.8
631.25110	0.8
749.31927	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01881	0.7
55.05515	3.7
57.03432	1.7
57.07072	1.4
61.02934	4.4
65.03960	0.4
66.47909	0.5
67.05521	4.4
69.03442	3.0
69.07074	3.0
69.70692	2.3
71.05005	0.6
71.08630	0.7
73.02930	3.1
79.05495	3.7
79.90576	0.4
81.03423	5.1
81.07066	5.3
83.08615	3.2
85.02923	3.8
86.09726	0.9
89.06059	0.6
91.03964	2.7
91.05497	4.0
93.07069	2.7
95.04993	1.3
95.08605	3.2
97.02898	3.2
97.06549	1.0
97.10187	1.3
99.04474	0.9
101.02396	1.3
105.07009	2.9
106.72238	0.4
107.04988	0.6
107.08613	1.6
109.02881	0.5
109.06556	0.6
109.10178	1.5
110.74709	0.4
111.08105	0.6
115.03728	0.5
117.07035	0.9
119.08622	1.9
121.10177	1.9
125.00002	0.5
127.03962	1.4
129.07022	1.6
131.08606	1.1
133.10185	1.2
135.11731	0.9
136.00636	0.4
140.74101	0.4
145.10165	0.8
147.11667	1.1
149.09628	0.8
157.10194	0.9
160.11238	1.0
175.11296	0.7
176.99292	1.6
177.11336	0.5
184.07323	2.1
185.04294	0.7
193.12323	0.6
195.00316	35.4
211.13300	0.6
243.08398	1.0
247.55159	0.5
251.12662	0.6
258.09067	0.9
283.15265	0.7
323.18478	1.7
336.62106	0.4
413.17621	0.6
441.21500	1.0
443.15518	0.5
467.18677	0.5
469.20511	7.7
503.37527	1.2
519.29333	4.1
525.35541	9.2
525.42889	0.6
526.91730	0.5
575.39331	16.5
576.39825	1.1
613.43140	0.5
688.78253	0.5
690.05359	0.5
697.36829	14.1
747.42920	100.0
748.43250	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	747.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
54.09943	0.3
55.05504	1.2
57.03440	2.5
59.17212	0.3
60.08154	0.6
61.02931	5.1
67.05508	5.7
69.03435	3.2
69.07073	1.3
70.06496	1.1
70.06902	0.6
71.04991	0.8
71.07327	0.4
73.02927	3.8
79.05497	4.1
81.03430	2.9
81.07064	5.8
83.08626	0.8
85.02911	6.0
86.09693	1.7
91.03947	2.9
91.05473	3.9
93.07050	5.1
95.04975	1.1
95.08611	3.6
97.02891	4.0
97.06566	0.4
97.10187	0.4
99.04485	0.6
101.02401	1.4
105.07030	3.2
107.04957	0.6
107.08591	2.3
109.02887	0.7
109.06506	0.7
109.10172	2.0
115.03986	0.4
117.07024	1.0
119.08586	1.7
120.47371	0.3
121.10128	1.8
125.00030	1.3
127.03931	1.4
127.11171	0.5
131.08582	1.6
133.10126	2.0
135.11739	1.0
135.94630	0.4
145.10123	0.8
147.11716	1.0
149.09567	0.5
157.10170	0.4
159.11772	0.7
175.11215	0.6
184.07352	6.0
185.04237	0.7
185.07759	1.2
193.12276	0.7
218.09630	0.3
219.17596	0.4
221.68558	0.4
243.08498	1.7
251.12584	1.1
335.25955	1.4
426.98990	0.4
469.20612	3.4
519.29266	7.6
569.80438	0.4
661.69843	0.4
747.42902	100.0
748.43024	5.1
778.03845	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01875	0.6
55.05510	1.5
57.03444	2.0
59.52701	0.4
60.08173	0.7
61.02930	5.2
61.44201	0.4
65.03926	0.5
67.05509	5.0
67.07185	0.4
69.03436	3.5
69.07072	0.9
71.04987	0.7
71.52152	0.5
73.02909	2.6
78.91400	0.4
79.05495	3.9
81.03414	3.3
81.07068	4.6
83.08637	1.3
84.68389	0.4
85.02916	5.5
86.09705	3.0
87.04472	0.6
88.93628	0.4
91.03953	3.5
91.05480	3.2
91.14384	0.5
92.67616	0.4
93.07040	3.1
95.04983	1.2
95.08614	3.0
97.02895	3.5
97.10197	0.5
98.98478	0.5
99.04465	0.9
101.02385	2.1
105.07046	1.9
107.08596	1.0
109.02913	0.5
109.10163	1.1
111.08128	0.4
119.08578	1.8
121.10146	2.4
125.00024	1.6
127.03926	1.4
129.07028	1.0
131.08574	0.5
133.10149	1.3
135.11742	1.0
137.09676	0.5
145.10146	0.5
147.11702	1.0
157.10204	1.2
158.16978	0.4
173.13115	0.4
175.11253	0.8
177.11247	0.4
178.86404	0.4
184.07332	6.9
185.04239	0.4
185.07755	1.1
186.21143	0.4
193.12280	1.6
193.70404	0.4
203.43997	0.4
211.13493	0.5
243.08450	1.3
251.12730	0.8
335.25986	0.9
368.90540	0.4
469.20468	8.3
475.45816	0.5
519.29327	4.4
747.42932	100.0
748.42981	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	745.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01886	0.5
55.05507	1.7
57.03442	2.0
61.02924	4.2
62.76154	0.3
67.05505	4.0
69.03431	3.0
69.07071	0.7
69.40047	1.2
69.40465	1.7
71.01376	0.5
73.02906	2.9
79.05499	3.9
81.03429	1.2
81.07063	4.2
83.08640	1.1
85.02921	3.3
91.03958	2.1
91.05479	2.7
93.07050	3.7
95.04967	0.9
95.08607	4.3
97.02903	2.8
97.10252	0.4
99.04476	0.9
101.02399	1.3
102.52715	0.4
105.06403	0.4
105.07056	1.7
107.04971	0.7
107.08607	2.1
109.02901	0.7
109.10184	1.2
117.07037	0.8
119.08619	0.6
121.10165	1.9
123.11696	0.5
127.03936	0.9
131.08588	0.7
133.10161	0.5
135.11711	3.4
141.51183	0.4
145.10127	2.1
147.11710	0.4
163.11180	3.7
185.04242	0.5
219.09970	0.9
227.12779	2.8
237.57246	0.4
243.08426	2.3
249.11008	7.9
258.08945	0.6
305.13571	2.7
336.26486	0.6
369.98108	0.4
467.18842	10.5
519.29468	5.3
548.39832	0.5
583.35974	0.5
745.41315	100.0
746.41626	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	745.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.2
53.88061	0.2
55.01884	0.2
63.60284	0.2
65.03933	1.1
66.04719	0.5
67.05499	0.5
69.03426	0.3
70.06596	0.3
70.66702	0.6
70.67067	0.3
72.61196	0.2
77.88552	0.2
79.05487	0.8
81.07038	0.3
82.04209	0.3
85.02894	0.7
91.05476	0.9
94.04201	2.6
95.04987	0.3
97.06550	0.3
103.05475	0.2
107.04964	0.6
109.06555	0.4
115.05457	1.4
117.07041	1.4
119.04917	0.4
122.03648	7.4
123.04445	0.5
124.05208	0.3
125.06043	0.4
127.67829	0.2
130.04884	0.3
131.04962	0.4
133.06465	0.2
137.05986	100.0
138.03120	0.2
138.06346	1.3
142.02591	0.3
143.04929	4.2
145.06502	2.0
147.04459	0.4
147.08051	0.3
151.03917	3.5
151.05017	0.2
153.05482	0.4
155.06056	0.9
155.41824	0.2
161.06012	0.3
167.07043	9.8
171.04312	0.3
171.06525	0.5
173.06010	3.8
175.07576	1.5
181.04973	13.3
191.07010	0.3
203.06996	1.1
205.08583	2.1
233.08116	0.7
235.09679	1.5
355.11768	0.7
357.13358	8.2
358.13605	0.3
387.14407	56.6
388.14731	1.4
583.21820	0.3
745.26831	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
55.05524	1.5
57.03441	2.3
57.07057	0.3
58.05178	0.3
60.08162	0.4
60.28418	0.3
61.02931	6.1
61.03219	0.3
67.05508	5.9
69.03434	3.4
69.07076	1.2
70.08476	1.0
71.01376	0.5
71.04649	0.3
71.05017	0.6
73.02921	3.7
75.25619	0.3
79.05501	4.4
81.03432	1.7
81.07063	5.5
83.04997	0.5
83.08640	0.7
85.02912	5.1
86.09708	2.0
87.04494	0.5
87.10075	0.3
91.03960	3.0
91.05507	1.8
93.07056	4.8
94.07365	0.3
95.04995	0.6
95.08616	5.0
97.02906	4.3
97.06573	0.3
99.04473	1.1
101.02386	1.5
105.04564	0.3
105.07053	1.9
107.04937	0.3
107.08586	2.2
109.02915	0.9
109.10184	1.3
117.07014	0.7
117.89268	0.3
119.08627	1.3
120.95390	0.3
121.10156	1.5
123.11736	0.5
125.00034	1.1
127.03921	1.4
131.08595	0.9
133.10172	1.0
135.11723	2.5
145.10143	1.6
147.11685	0.4
149.13251	0.5
163.11215	2.5
183.58397	0.3
184.04611	0.3
184.07349	5.3
185.07738	0.5
203.05267	0.5
219.09975	0.4
227.12904	1.2
243.08463	2.3
249.11014	10.9
289.15067	0.3
305.13831	0.8
335.25989	0.5
467.18921	5.2
519.29358	9.4
745.41357	100.0
746.41608	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	744.453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95711	1.2
53.03930	3.4
55.01857	2.0
55.05517	12.4
57.03196	1.2
57.03442	12.9
60.08149	1.4
61.02914	3.4
65.03927	3.0
66.91805	1.2
67.05506	51.2
69.03426	6.7
69.07077	14.2
69.09270	1.1
71.04995	4.1
73.02917	1.4
73.07896	1.1
73.81046	1.1
77.54604	1.0
79.05495	54.0
81.03416	4.1
81.07062	47.3
83.04984	10.8
83.08630	6.2
85.02904	6.1
85.06488	1.5
86.09698	7.3
87.04469	6.0
91.03935	1.6
91.05481	23.1
91.89832	1.1
93.07047	57.2
95.04964	5.4
95.08611	34.7
95.94205	1.3
97.02899	1.9
97.06523	4.1
97.10139	3.2
99.04441	1.7
99.08070	3.0
101.05996	2.6
105.07032	15.0
107.04973	3.5
107.08601	27.1
109.06548	2.4
109.10160	12.1
111.08079	1.5
115.03926	2.8
117.07040	6.7
119.08596	11.3
121.10147	71.4
123.08030	4.7
123.11697	4.5
124.99983	6.0
125.09620	1.5
129.06987	2.3
131.08572	28.3
133.06461	2.3
133.10126	7.4
135.08063	1.4
135.11705	7.5
137.09569	1.6
137.13182	1.3
139.11192	6.0
142.02187	1.2
145.10106	4.1
147.11707	3.2
149.09630	24.4
149.13228	3.7
149.63208	1.2
155.46252	1.1
159.08044	3.3
159.11696	4.6
161.13239	2.6
163.14873	1.7
167.10684	25.1
173.09685	1.2
173.13237	3.7
177.09126	3.7
184.07341	23.5
185.11760	4.4
187.14781	1.6
195.10176	4.7
213.11232	3.7
229.34128	1.2
232.91599	1.1
241.14407	2.9
243.21143	5.4
246.99330	1.3
259.15384	1.7
261.22205	17.0
267.15759	1.3
269.13913	2.3
287.14905	100.0
317.24689	4.1
335.25815	88.2
336.26169	3.2
409.31085	1.6
427.31738	1.3
547.36383	22.9
565.37268	3.6
601.34894	1.2
603.45599	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.49
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.6
55.01871	1.5
55.05518	14.5
57.03443	8.8
57.07071	1.9
59.05001	2.2
60.08155	0.5
61.02937	3.8
65.03944	2.4
67.05511	100.0
68.05839	0.7
69.03438	1.8
69.07076	13.7
70.81422	0.7
70.81772	1.0
71.05000	19.1
79.05499	36.1
81.03438	3.4
81.07065	45.2
82.07375	0.5
83.04995	4.4
83.08620	8.1
85.02925	2.6
85.06549	3.4
86.09724	3.1
87.04496	0.8
91.03964	1.2
91.05488	25.6
93.07053	43.9
95.04986	3.7
95.08617	33.4
97.02910	2.7
97.06540	4.3
97.10183	2.3
99.04458	0.8
99.08107	1.7
101.06052	0.7
105.04536	1.5
105.07043	12.1
107.04937	1.2
107.08602	23.2
109.06554	2.0
109.10165	64.2
111.04482	0.6
111.08083	3.1
113.09563	0.5
115.05497	0.7
117.07024	4.9
119.08599	17.0
121.06520	0.7
121.10155	16.5
123.08072	1.6
123.11732	2.5
125.00042	2.1
125.09607	0.8
127.03930	0.6
127.11251	0.5
129.07054	1.4
131.08571	7.1
133.10138	8.1
135.08099	1.2
135.11703	17.5
137.09624	9.2
137.13249	0.6
139.11131	1.5
143.08586	1.2
145.10126	9.1
147.11679	4.6
149.13263	3.0
151.11237	0.9
155.10667	3.0
157.10152	1.1
159.11697	3.0
161.13341	3.7
163.11150	3.4
163.14807	1.2
165.12801	1.1
169.12308	1.4
171.11752	1.2
173.11757	4.9
173.13297	2.5
175.14864	1.7
181.12306	2.2
184.07367	8.4
185.13293	0.6
187.13377	1.2
187.14905	1.6
196.06631	0.5
211.13271	0.6
213.14864	1.3
229.14481	0.7
242.68462	0.5
243.16051	1.1
243.21265	0.8
243.83969	0.6
245.92863	0.6
255.16003	5.3
259.20569	0.9
261.22247	2.9
287.18549	15.8
299.15060	0.6
317.24786	1.8
335.25842	27.4
336.26163	1.4
379.91376	0.6
397.31091	1.3
423.32687	0.7
471.34689	2.1
489.35791	89.4
490.36057	3.4
503.37332	4.0
515.37305	11.2
533.38385	1.3
547.40009	72.5
548.40125	3.7
572.48438	1.1
691.43695	0.9
744.45258	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00653	0.7
53.03934	2.7
53.42891	0.7
55.01866	1.6
55.05517	12.4
57.03442	13.3
57.07080	1.5
60.08158	1.2
61.02917	3.2
61.63266	0.8
65.03930	1.9
67.05511	47.4
68.62502	0.8
69.03428	6.0
69.07074	13.8
71.01337	1.0
71.04995	4.4
71.07384	1.1
74.10602	0.7
79.05500	45.1
80.05826	1.2
81.03414	3.3
81.07064	43.9
83.04986	9.1
83.08620	4.6
85.02899	4.9
85.06535	2.2
86.09722	5.7
87.04490	5.6
91.03948	1.3
91.05490	21.8
93.07051	60.5
94.07359	1.4
95.04987	4.7
95.08616	33.6
97.02907	2.3
97.06532	4.3
97.10168	3.3
99.08131	1.9
101.06031	2.3
103.05482	1.1
105.04499	1.0
105.06387	1.4
105.07045	16.2
107.04981	3.9
107.08607	27.9
109.06486	1.5
109.10171	12.3
111.08086	1.0
114.30070	0.8
115.03917	1.9
117.07001	4.6
119.07803	1.1
119.08597	12.8
121.06461	1.1
121.10156	56.6
123.08099	5.6
123.11711	3.0
125.00001	3.3
125.09648	1.4
129.07034	1.8
131.08577	25.2
133.06511	1.6
133.10138	6.6
135.08041	1.0
135.11697	8.1
137.13287	1.5
139.11203	5.0
145.10130	3.6
147.11685	4.1
147.72908	0.8
149.09634	19.0
149.13312	4.8
149.14331	0.9
151.07465	0.7
151.11095	0.9
155.96054	0.8
159.08011	2.4
159.11743	3.4
159.80190	0.9
161.13316	4.2
163.14838	2.2
167.10692	21.4
173.13304	2.9
175.11130	0.9
175.14819	1.2
177.09154	3.1
184.07375	17.2
185.11742	4.5
187.14847	1.3
195.10156	5.2
213.11220	2.2
219.17502	0.8
241.14304	2.5
243.15929	0.9
243.21086	4.8
257.06244	0.8
259.15332	1.1
261.22174	19.6
269.13809	4.1
277.21649	1.3
287.14905	65.4
288.15247	1.1
317.24792	3.6
335.25821	100.0
336.26260	4.2
440.71426	0.8
455.36319	0.8
501.35519	1.6
529.35992	1.0
537.38232	0.8
547.36304	30.5
548.36938	0.9
565.37354	3.5
771.62274	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.5
55.01878	3.8
55.05269	2.0
55.05519	26.1
55.07240	1.5
57.03192	2.1
57.03443	22.4
57.07070	5.2
60.08150	2.1
61.02933	8.3
65.03938	3.9
67.05509	92.4
69.03426	6.0
69.07070	31.8
69.43444	1.4
69.97288	6.7
71.04984	6.7
71.08648	2.2
73.02943	2.2
77.85789	1.4
79.05498	63.0
81.02988	2.3
81.03430	26.4
81.07059	93.1
83.04976	13.9
83.08625	16.7
85.02882	8.1
85.06544	6.3
86.09701	7.8
91.03967	3.3
91.05484	56.4
92.05798	1.8
93.07051	65.8
95.04970	26.2
95.08611	64.1
97.02892	6.7
97.06531	10.5
97.10166	3.8
99.08081	2.0
103.05463	2.0
105.07036	39.2
107.04264	1.5
107.04966	7.1
107.08599	40.4
109.02875	1.5
109.06540	13.0
109.10157	17.2
111.04464	1.6
111.08091	3.3
113.06059	2.3
113.09679	2.3
115.05409	2.5
117.07024	12.4
119.07797	2.8
119.08585	29.8
121.06490	3.9
121.10141	27.2
123.08053	3.7
123.11703	7.8
125.00036	7.2
125.09647	2.4
127.03912	2.2
129.07008	8.8
131.08577	20.4
133.06512	2.5
133.10149	24.0
135.06415	1.7
135.08055	3.3
135.11694	21.5
137.09624	3.2
137.13242	2.8
141.06934	1.7
142.07817	4.2
143.08545	2.3
145.10106	10.2
147.08070	2.2
147.11693	18.8
149.09618	5.8
149.13304	7.2
151.11127	4.0
157.10150	11.9
159.11674	7.3
161.13290	5.2
163.11214	11.2
163.14833	3.1
165.12715	3.5
171.11736	2.2
173.13292	4.0
175.11206	13.0
175.14757	1.9
181.12346	1.4
184.07346	29.0
185.13245	1.6
187.14787	2.1
193.12291	11.2
197.13220	1.6
199.14859	1.7
211.13347	6.2
227.12808	12.1
227.16422	1.8
229.14191	2.0
243.21104	5.6
250.63451	1.8
261.22122	13.9
267.15891	26.7
268.16220	1.6
273.21851	1.5
283.15399	13.3
285.16983	79.0
286.17307	1.8
301.21790	2.1
317.24634	2.3
335.25815	100.0
337.27353	19.5
435.32346	2.0
453.33624	4.7
471.34451	2.0
474.01633	1.8
503.37335	4.5
527.37384	14.9
545.38397	67.2
546.38306	2.4
563.39447	2.4
742.43854	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	742.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01871	3.9
55.05267	3.1
55.05512	28.4
57.01019	1.5
57.03444	19.3
61.02908	4.5
65.03925	2.6
67.05508	65.4
69.03426	4.7
69.07072	20.0
70.54504	5.6
71.04993	4.6
79.05499	57.8
81.03425	68.5
81.07065	69.9
83.04996	17.6
83.08629	29.6
85.02438	2.6
85.02914	28.0
85.06536	2.8
91.05489	49.1
93.07045	54.1
95.04975	32.3
95.08612	39.3
95.11578	1.6
97.02897	3.8
97.06544	6.5
97.10155	6.4
104.76843	1.6
105.07042	35.8
107.04953	8.3
107.08620	24.6
109.06521	6.4
109.10159	14.3
111.04468	1.8
111.08089	10.4
113.05993	3.6
117.07010	7.0
118.25550	1.4
119.08592	26.4
121.06509	1.6
121.10155	22.1
123.08062	3.0
123.11681	5.4
129.07018	16.6
131.08580	20.9
132.98499	1.6
133.10146	17.9
134.86726	1.5
135.11710	11.3
137.09590	2.2
142.07782	3.5
145.10155	7.1
147.08060	4.3
147.11710	16.6
149.09586	7.2
149.13268	5.0
150.96767	1.7
153.00221	1.8
157.10130	13.3
159.11737	4.4
161.13257	3.6
162.60997	1.6
163.14807	2.2
165.12805	5.5
173.13274	5.1
175.11246	12.4
175.14781	2.2
177.84119	1.8
187.14844	3.4
193.12256	52.4
194.12730	2.2
211.13293	94.0
243.21149	3.3
250.27612	1.6
261.22116	12.5
267.16022	16.7
285.16974	86.2
286.17096	2.3
294.93805	2.2
317.24957	2.7
335.25821	80.9
336.26157	3.8
435.32813	1.9
453.33655	2.6
527.37366	12.6
539.23468	1.9
545.38416	100.0
546.38721	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	742.474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.9
55.01862	3.8
55.05514	28.6
57.03442	21.2
57.07072	2.7
61.02930	6.5
61.80505	1.0
65.03934	3.9
67.05509	70.7
69.03416	4.9
69.06728	1.5
69.07072	20.6
71.04994	6.4
73.02921	1.5
74.57648	1.0
77.03954	1.0
78.57735	1.1
79.05497	66.2
80.05856	1.2
81.03423	60.5
81.07062	72.4
82.07363	1.2
83.04984	17.3
83.08624	23.8
85.02444	1.8
85.02912	23.6
85.06522	2.2
86.09695	2.1
91.03933	2.1
91.04898	2.1
91.05486	54.6
93.07048	59.3
95.04977	24.8
95.08613	47.5
97.02892	5.7
97.06537	6.2
97.10188	5.1
99.08100	2.9
105.04524	1.7
105.07036	36.0
107.04968	5.9
107.08599	24.4
109.06515	5.8
109.09486	1.2
109.10167	16.2
111.04440	3.3
111.08090	9.0
113.06010	2.4
115.05441	2.5
115.71642	0.9
117.07002	7.6
119.08580	28.8
121.06522	1.8
121.10151	20.8
123.08073	3.5
123.11684	5.7
125.09631	2.0
128.06229	1.1
129.06995	11.4
131.08574	19.0
133.06496	2.6
133.10144	19.1
135.11716	12.5
137.09612	2.1
137.13211	2.0
141.07071	1.1
141.75996	1.0
142.07770	2.7
143.08595	0.9
145.10146	8.8
147.08067	3.8
147.11694	16.4
149.09633	6.6
149.13234	4.4
151.11156	1.2
155.08498	1.6
157.10136	13.4
159.11679	3.8
161.13234	4.2
163.11180	1.8
163.14868	2.0
165.12724	2.8
167.10623	1.2
169.10219	1.3
173.13301	4.2
175.11192	12.2
175.14836	1.4
184.07335	6.2
185.07700	1.8
187.14819	1.9
192.14856	1.1
193.12256	37.0
211.13306	49.4
227.12787	1.5
229.26112	1.1
233.18869	1.3
234.58371	1.1
243.21054	3.4
249.35800	1.0
261.22198	11.4
267.15903	15.7
269.32385	0.9
285.16977	55.9
286.17444	1.0
286.30536	1.0
317.24631	2.5
333.24240	1.3
335.25809	96.2
336.26108	2.3
435.32535	2.6
453.33694	1.4
527.37347	12.4
545.38403	100.0
546.38733	3.9
642.37323	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
53.19010	1.6
55.01871	2.7
55.05518	19.6
57.03437	15.6
61.02927	3.7
65.03947	2.5
67.05504	54.7
69.03417	3.2
69.07072	17.7
69.07397	2.9
69.63537	2.1
71.04996	3.6
71.52106	2.4
73.02892	2.2
79.05072	3.3
79.05495	39.7
81.03423	47.6
81.06592	4.4
81.07057	57.6
83.04977	11.7
83.08624	19.4
85.02919	15.4
85.06535	2.8
86.09702	3.7
91.05484	38.5
93.07049	42.8
95.04980	21.7
95.08614	36.3
97.02879	3.0
97.06522	6.2
97.10164	5.0
105.07027	26.1
107.04965	5.5
107.08595	19.0
108.83601	2.1
109.06529	4.7
109.10136	14.6
111.08068	8.3
113.05994	3.1
117.07001	6.7
119.08580	20.3
121.10152	20.8
123.08043	3.2
123.11701	6.0
124.99982	3.5
125.09625	2.6
129.07024	7.2
131.08548	14.3
133.06479	1.8
133.10127	15.5
134.98328	1.9
135.08072	3.2
135.11690	10.1
136.26552	1.8
142.07811	2.7
143.08585	2.8
145.10143	7.1
147.08080	2.6
147.11693	16.3
149.09641	4.0
149.13252	6.8
151.11189	3.2
155.08556	2.4
157.10133	8.2
159.11694	4.8
161.13284	4.7
163.11102	2.5
163.14841	3.3
173.13225	3.7
173.94102	1.9
175.11200	8.2
184.07367	15.6
187.24039	2.0
193.12230	29.9
211.13304	35.9
243.21040	2.9
261.22131	7.5
267.15884	16.6
285.16980	44.3
312.03882	2.4
317.24597	2.1
335.25830	71.9
336.26114	4.7
337.26880	4.3
454.62759	2.2
471.34528	3.4
509.72372	2.0
527.37213	11.7
545.38373	100.0
546.38971	4.6
548.63770	2.0
742.48065	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	741.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01861	3.1
55.05513	32.8
57.03442	4.2
57.07076	11.1
63.05722	0.8
65.03922	1.6
67.05509	20.3
69.07071	35.8
69.84783	0.8
70.99340	2.1
71.05000	1.5
71.08636	7.9
79.05497	17.9
81.03423	1.8
81.07063	27.5
83.04969	2.1
83.08620	25.3
85.06534	1.2
85.10177	2.9
91.05486	27.2
93.07050	20.9
95.04948	2.5
95.08611	16.8
97.06539	1.4
97.10166	17.0
98.98476	8.6
99.08099	1.3
105.07041	26.5
107.08595	12.1
109.06537	1.7
109.10163	6.9
109.70339	1.0
111.08065	1.2
111.11716	4.4
115.05450	1.5
117.07019	10.5
119.08589	27.0
121.10140	10.7
123.08053	1.1
123.11702	2.6
125.09662	1.1
128.06192	1.5
129.05496	1.1
129.07021	5.5
131.08568	16.1
133.10127	18.8
135.11717	8.7
137.09622	1.2
142.07735	0.9
143.08542	5.4
145.10129	12.1
147.11703	18.2
149.13243	3.9
155.00999	2.4
155.08530	1.0
157.10141	5.8
159.11690	10.7
161.09581	1.1
161.13260	14.9
163.14790	2.8
169.10155	1.0
171.11697	7.8
173.13284	8.3
175.14798	6.2
183.08194	0.9
183.11665	2.1
185.13263	4.8
187.14839	3.7
189.16364	1.1
191.67181	0.9
197.13245	1.8
199.14848	3.6
201.16316	1.0
213.16441	2.2
215.17931	3.1
217.19527	6.7
229.08568	2.1
231.21091	3.7
237.22203	2.1
239.17960	2.6
241.08665	1.4
241.19534	24.4
243.21036	1.8
246.05368	0.8
257.19043	2.8
259.20605	12.5
273.18439	1.2
275.19992	2.7
277.21582	1.1
293.21170	2.1
297.22366	1.0
309.24222	1.1
311.25815	49.9
312.26105	1.2
313.21631	11.5
313.27307	7.9
315.23239	14.6
331.22614	1.6
331.26193	2.0
333.24155	6.7
337.27493	1.3
365.26740	1.8
365.30930	0.9
387.29083	1.4
447.25241	1.3
495.41779	1.3
569.45679	100.0
570.45941	7.0
629.47272	3.2
769.94519	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74469	3.5
53.03940	5.7
55.01867	6.4
55.05292	3.6
55.05521	25.9
57.03427	13.3
57.07086	3.5
65.03947	3.5
67.05179	5.5
67.05508	68.5
69.03426	4.8
69.07076	21.8
71.04998	6.3
71.51311	4.5
78.49621	3.3
79.05501	50.1
79.63295	3.1
80.05815	5.4
81.03389	6.5
81.07063	64.5
82.07380	4.7
83.04977	11.4
83.08614	11.7
85.06602	4.3
88.53590	2.6
91.05490	35.5
93.06491	4.2
93.07049	61.8
93.16446	3.1
94.07404	7.4
95.04965	14.6
95.08614	68.6
96.08956	5.1
97.02865	4.9
97.06522	8.9
97.10141	4.7
98.12949	3.0
99.04464	3.1
100.30923	2.9
105.07043	26.4
107.04956	12.5
107.08599	41.5
109.06500	7.6
109.10169	19.3
115.87190	3.0
117.07027	15.8
119.08559	16.6
121.06523	7.0
121.10149	29.3
123.07975	2.6
123.11691	7.5
127.11215	3.1
129.07010	3.8
131.08591	10.9
133.10132	13.6
135.08031	7.1
135.11699	51.0
136.12158	4.7
143.08537	5.1
145.06462	3.8
145.10138	37.5
146.10493	4.3
147.04417	5.8
147.11708	4.4
149.09610	5.1
149.13281	4.5
155.08598	5.8
157.10028	5.2
159.11665	4.1
161.13297	3.8
163.11180	63.2
164.11501	6.1
171.11714	5.1
173.09645	7.2
173.13260	5.4
175.07523	3.2
181.10141	9.0
181.12236	12.9
182.10393	3.6
184.07336	5.1
191.10608	3.4
209.11743	6.6
227.10773	6.8
227.12796	100.0
228.11102	4.3
228.13165	10.5
229.75999	3.0
261.22183	13.7
265.14395	5.7
267.15979	5.2
283.15433	91.7
284.15707	15.5
301.16342	3.7
335.25818	91.7
336.26248	24.9
428.71268	3.5
533.45831	3.3
543.29431	4.3
543.36914	53.1
544.37140	34.1
545.38275	10.1
561.37152	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	739.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.1
55.05515	74.0
65.03948	11.0
67.05503	23.1
69.03427	8.9
69.07088	6.4
69.23758	11.6
69.24170	43.9
79.05502	25.8
79.53961	5.4
81.07071	21.0
83.04987	100.0
85.35440	5.9
91.05486	32.4
93.07049	24.0
95.04994	33.6
95.08607	11.1
97.06556	6.7
105.07053	31.4
107.08604	15.9
109.06532	6.6
109.10185	10.4
114.63824	5.7
115.05453	8.0
117.07044	11.1
119.08588	21.4
121.06501	13.3
121.10182	7.5
128.06244	10.7
129.07008	26.6
131.04926	6.3
131.08577	18.9
133.10132	8.9
135.04385	6.9
141.06982	6.8
142.07803	23.8
143.08562	15.4
145.10159	16.7
147.08055	7.5
147.11726	8.1
155.08557	7.3
157.10149	19.3
159.04460	12.6
159.11752	7.5
161.05940	9.7
161.13307	8.8
167.08545	12.7
169.10239	9.3
171.11819	6.6
175.07594	9.8
175.11171	9.7
181.10175	7.9
185.09644	26.7
185.13312	8.6
187.07524	7.8
195.08096	12.1
197.13316	6.8
199.07651	7.4
213.09200	30.9
215.10638	6.9
241.08653	16.7
243.10280	8.5
259.09671	13.5
341.13889	30.9
359.14890	6.4
621.73346	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	740.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	2.3
55.01884	2.8
55.05521	12.7
55.05761	0.8
57.03441	9.4
57.07055	1.1
61.02907	0.5
65.03906	1.8
67.05511	39.8
67.05853	1.6
69.03393	1.6
69.07074	11.7
70.75774	1.5
71.04958	1.9
73.02901	0.9
77.03924	0.7
79.05500	32.1
81.03382	1.7
81.07065	39.3
83.04990	3.0
83.08625	8.2
85.02885	0.9
85.06532	1.1
91.05485	15.5
93.07052	45.2
95.04985	5.3
95.08616	45.7
97.02914	2.5
97.06535	3.2
97.10126	1.7
99.04408	2.1
99.08026	0.7
103.05428	0.7
103.87159	0.6
105.04491	1.2
105.07041	11.7
107.04963	5.4
107.08605	28.4
108.08885	0.5
109.06483	2.1
109.10174	11.2
111.04418	1.0
111.08052	1.4
111.77173	0.5
113.06013	0.6
117.07029	8.7
119.08592	11.6
121.06511	4.0
121.10156	15.7
123.11736	2.8
125.05954	2.1
129.06976	0.6
130.07741	1.0
131.08566	5.3
133.10135	5.1
135.08035	1.4
135.11703	37.1
136.11996	0.7
137.13194	1.1
139.07495	1.3
143.08530	0.9
145.10139	24.6
147.11707	2.4
149.13295	3.6
153.12798	0.6
159.11674	1.6
161.13232	1.9
163.11189	35.5
163.14833	1.2
164.11505	1.0
165.12764	0.6
165.94618	0.5
173.13326	1.2
175.14920	1.1
180.54755	0.5
181.12260	6.6
184.07368	1.4
187.14775	1.1
209.11739	1.6
227.12805	51.8
243.21004	1.5
261.22134	7.6
283.15421	43.7
284.15649	1.2
317.24716	1.6
335.25827	100.0
336.26328	3.2
543.36871	69.9
544.37372	4.3
554.49799	0.5
580.64655	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01862	2.5
55.05519	16.5
57.03440	9.9
57.07063	1.7
58.09114	1.1
61.02937	1.8
65.03923	2.2
67.05508	39.6
69.03427	1.7
69.07084	12.4
69.22453	4.2
69.22875	7.3
71.04997	3.0
73.02914	1.4
75.10390	1.0
79.05499	37.9
81.03437	2.0
81.06588	2.3
81.07062	44.4
83.04985	3.0
83.08622	8.5
83.63345	1.1
91.05478	15.4
93.07053	55.2
93.26500	1.2
95.04986	7.6
95.08615	56.3
97.02882	3.4
97.06544	3.4
97.10152	2.7
97.75027	1.3
98.20798	2.1
99.04448	3.2
105.04548	1.4
105.07028	14.4
107.04954	9.4
107.08601	32.6
109.10170	10.0
111.08062	1.5
117.07015	10.3
119.08601	14.1
121.06529	6.7
121.10149	18.9
123.11691	2.4
125.06006	3.2
130.07768	1.3
131.08559	5.1
133.10115	5.4
135.08058	2.4
135.10703	2.7
135.11705	49.9
139.07550	1.3
139.11150	1.1
139.47346	1.2
145.10133	31.1
149.13245	2.0
161.13278	1.6
163.11197	56.4
164.11650	1.4
173.13303	2.2
175.14818	1.6
181.12262	10.7
201.40511	1.4
209.11761	1.4
214.67116	1.2
227.12796	84.2
228.13229	1.8
243.21086	2.7
261.22208	8.0
283.15414	100.0
284.15817	2.9
317.24783	3.0
335.25827	98.3
336.26147	3.6
428.98724	1.6
541.07599	1.2
543.36871	90.0
544.36823	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	739.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
55.01868	3.6
55.05517	73.4
57.03438	1.5
62.44813	1.2
65.03945	3.0
65.04317	1.5
65.36052	1.4
67.01859	1.4
67.05509	7.5
69.03445	8.6
69.07071	1.8
70.02238	1.7
70.06574	2.4
71.04992	1.7
71.51538	1.7
79.05515	12.5
79.05935	2.3
81.03403	3.3
81.07071	7.5
83.04990	100.0
85.02892	1.9
91.05486	19.9
93.07049	15.5
95.04977	13.5
95.08616	3.4
97.02917	3.0
97.06519	5.3
99.04385	1.9
103.05458	4.8
105.07039	18.7
107.04991	6.5
107.08616	7.5
108.55918	1.4
109.02897	1.8
109.06509	7.0
111.04460	3.7
112.22924	1.2
113.02346	1.4
115.05470	9.5
116.06202	1.8
117.07027	14.0
119.04894	2.6
119.08584	8.8
121.02878	2.6
121.06533	8.1
121.10146	2.0
123.04422	4.7
123.08065	2.0
123.11696	1.3
128.06226	14.7
129.07016	17.9
130.07745	1.8
131.04958	3.1
131.08572	12.6
133.06503	7.6
133.10170	4.3
135.04405	6.2
135.08018	6.4
137.05974	5.0
139.07536	1.5
141.06993	14.6
142.07785	18.8
143.08562	19.9
144.05695	1.9
145.06493	9.7
145.10135	7.1
147.04401	2.9
147.08028	7.0
149.06035	7.1
151.03908	1.6
151.07559	3.8
152.06230	7.9
153.05563	2.0
153.07004	6.3
154.06471	1.4
154.07773	7.7
155.06012	2.2
155.08527	8.4
156.09387	3.4
157.06514	6.1
157.10146	17.6
158.07176	3.3
159.08098	11.7
159.11720	4.1
161.05988	10.5
161.09624	5.5
163.03882	2.8
163.07588	3.9
165.05632	2.2
165.07010	5.7
166.07787	6.9
167.07182	2.4
167.08537	11.7
169.06512	3.7
169.10104	7.0
170.07275	3.8
171.08078	13.0
171.11673	9.1
173.05988	3.7
173.09604	5.3
173.13220	1.8
175.03929	2.6
175.07549	5.3
175.11162	5.7
177.05424	1.7
177.09164	2.1
178.07851	1.8
179.07098	1.7
179.08566	3.1
181.10130	13.3
182.07254	2.3
183.08070	2.4
183.11595	2.2
184.08876	1.8
185.05991	2.8
185.09625	20.3
187.07562	7.4
187.11205	4.3
189.09094	5.4
189.12651	1.8
195.08061	6.7
197.09618	8.3
198.06802	2.4
199.07567	4.1
199.11192	17.6
201.09163	7.2
201.10724	1.4
203.07007	3.4
203.10663	8.0
206.08292	1.6
209.09624	1.8
213.09137	22.1
215.07059	5.3
215.10629	10.3
217.08670	3.5
217.12244	6.2
223.07536	4.2
225.09074	2.4
227.10669	17.2
231.10217	8.8
241.08601	22.3
243.10196	12.5
245.09454	2.0
245.11777	21.1
259.09692	28.9
261.11194	5.2
263.12854	11.9
277.10620	7.5
327.13541	1.5
341.13815	2.9
343.15335	5.7
345.16815	1.5
363.17581	1.9
401.87708	1.6
503.20117	1.7
521.21747	3.3
621.26538	2.6
639.26660	1.5
652.25494	1.6
721.32068	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55508	1.7
53.03938	7.2
55.01857	3.6
55.05515	53.9
65.03930	4.3
67.05497	11.3
69.03445	3.2
69.07065	2.4
69.25807	16.3
71.04967	2.7
71.88094	1.8
77.55482	1.8
79.05495	23.9
81.03425	2.6
81.07063	35.7
83.04985	79.3
86.09708	2.5
90.15972	1.7
91.05489	32.5
93.07044	32.3
95.04964	15.2
95.08602	6.0
97.02875	2.1
97.06550	4.4
98.21545	3.5
103.05439	3.6
105.03332	2.2
105.07047	21.7
107.04942	7.0
107.08589	10.5
109.06518	7.6
109.10149	5.9
110.58649	1.7
111.04434	10.3
114.95876	2.0
115.05459	11.7
116.06227	2.3
117.07009	18.2
119.04930	12.5
119.08585	12.0
121.06509	9.9
121.10142	3.9
121.15636	1.7
123.04440	13.9
128.06242	23.4
129.06175	2.8
129.07018	39.4
130.07837	3.1
131.04941	2.2
131.08578	24.3
133.06502	6.8
133.10107	8.0
135.04320	2.9
135.08040	5.0
137.05969	32.3
138.73099	2.1
141.07004	29.1
142.07793	52.0
143.08568	30.2
144.09425	2.8
145.06483	8.5
145.10115	10.9
147.04404	3.1
147.08080	5.1
147.11681	4.5
149.05995	5.7
152.06194	6.3
153.07027	10.3
154.07729	4.2
155.08559	24.6
156.09344	10.4
157.06540	11.2
157.10135	74.1
158.07251	2.8
159.04402	2.1
159.08089	13.2
159.11710	6.9
161.05975	6.2
161.09653	4.7
163.03932	3.9
163.07564	7.1
165.05476	51.7
165.06978	14.1
166.07790	20.5
167.07301	1.9
167.08536	13.9
168.09360	4.9
169.06450	9.4
169.10152	10.5
169.14124	1.7
170.07274	7.5
171.08070	13.8
171.11700	16.9
173.09595	5.7
173.13316	2.0
175.07484	3.3
175.11221	4.0
179.07030	2.1
179.08481	2.7
181.10120	35.7
183.08005	3.7
183.11722	11.7
184.07426	2.5
184.08904	9.2
185.06013	6.2
185.09627	91.8
185.13194	4.0
186.09982	2.2
187.07562	21.6
189.09116	5.5
195.08040	5.6
196.28720	2.0
197.06055	2.4
197.09685	6.0
197.13219	2.2
199.07515	6.7
199.11198	81.6
200.11676	2.8
201.09157	4.3
203.10670	17.0
205.08553	4.7
209.09654	4.5
211.14780	2.6
212.93149	2.0
213.09099	20.7
215.07016	2.2
215.10591	3.9
217.08583	6.3
221.08072	2.1
223.07762	2.3
225.09174	3.8
225.16333	1.8
227.10667	100.0
228.10880	2.3
229.08661	3.3
231.10127	13.2
241.08574	12.3
243.10211	6.5
245.11728	53.7
259.09662	32.2
267.21057	3.7
277.10672	20.4
295.11536	1.9
341.13901	7.6
343.15244	3.9
377.16208	2.2
395.17303	3.3
421.93799	2.1
431.85837	1.9
456.80536	2.1
739.37811	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	739.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55508	1.7
53.03938	7.2
55.01857	3.6
55.05515	53.9
65.03930	4.3
67.05497	11.3
69.03445	3.2
69.07065	2.4
69.25807	16.3
71.04967	2.7
71.88094	1.8
77.55482	1.8
79.05495	23.9
81.03425	2.6
81.07063	35.7
83.04985	79.3
86.09708	2.5
90.15972	1.7
91.05489	32.5
93.07044	32.3
95.04964	15.2
95.08602	6.0
97.02875	2.1
97.06550	4.4
98.21545	3.5
103.05439	3.6
105.03332	2.2
105.07047	21.7
107.04942	7.0
107.08589	10.5
109.06518	7.6
109.10149	5.9
110.58649	1.7
111.04434	10.3
114.95876	2.0
115.05459	11.7
116.06227	2.3
117.07009	18.2
119.04930	12.5
119.08585	12.0
121.06509	9.9
121.10142	3.9
121.15636	1.7
123.04440	13.9
128.06242	23.4
129.06175	2.8
129.07018	39.4
130.07837	3.1
131.04941	2.2
131.08578	24.3
133.06502	6.8
133.10107	8.0
135.04320	2.9
135.08040	5.0
137.05969	32.3
138.73099	2.1
141.07004	29.1
142.07793	52.0
143.08568	30.2
144.09425	2.8
145.06483	8.5
145.10115	10.9
147.04404	3.1
147.08080	5.1
147.11681	4.5
149.05995	5.7
152.06194	6.3
153.07027	10.3
154.07729	4.2
155.08559	24.6
156.09344	10.4
157.06540	11.2
157.10135	74.1
158.07251	2.8
159.04402	2.1
159.08089	13.2
159.11710	6.9
161.05975	6.2
161.09653	4.7
163.03932	3.9
163.07564	7.1
165.05476	51.7
165.06978	14.1
166.07790	20.5
167.07301	1.9
167.08536	13.9
168.09360	4.9
169.06450	9.4
169.10152	10.5
169.14124	1.7
170.07274	7.5
171.08070	13.8
171.11700	16.9
173.09595	5.7
173.13316	2.0
175.07484	3.3
175.11221	4.0
179.07030	2.1
179.08481	2.7
181.10120	35.7
183.08005	3.7
183.11722	11.7
184.07426	2.5
184.08904	9.2
185.06013	6.2
185.09627	91.8
185.13194	4.0
186.09982	2.2
187.07562	21.6
189.09116	5.5
195.08040	5.6
196.28720	2.0
197.06055	2.4
197.09685	6.0
197.13219	2.2
199.07515	6.7
199.11198	81.6
200.11676	2.8
201.09157	4.3
203.10670	17.0
205.08553	4.7
209.09654	4.5
211.14780	2.6
212.93149	2.0
213.09099	20.7
215.07016	2.2
215.10591	3.9
217.08583	6.3
221.08072	2.1
223.07762	2.3
225.09174	3.8
225.16333	1.8
227.10667	100.0
228.10880	2.3
229.08661	3.3
231.10127	13.2
241.08574	12.3
243.10211	6.5
245.11728	53.7
259.09662	32.2
267.21057	3.7
277.10672	20.4
295.11536	1.9
341.13901	7.6
343.15244	3.9
377.16208	2.2
395.17303	3.3
421.93799	2.1
431.85837	1.9
456.80536	2.1
739.37811	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	738.479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.3
55.01892	1.5
55.05518	14.1
56.05037	1.8
57.03440	5.6
57.07074	3.0
59.06120	1.4
61.28990	1.7
65.03938	4.2
67.05512	50.7
69.07076	13.4
69.90756	1.4
71.04993	3.0
77.03892	1.7
79.05499	56.7
81.03413	4.9
81.06590	3.4
81.07063	47.2
83.04986	8.7
83.08617	5.2
85.06541	3.8
91.05483	40.8
93.07052	58.8
93.07642	3.2
95.04961	10.5
95.08615	32.6
97.06522	4.1
97.10155	2.3
101.07151	2.4
102.05560	2.3
102.09193	3.6
105.04533	2.5
105.07040	28.8
107.04942	3.3
107.08609	19.5
109.06549	3.7
109.10174	10.0
111.08057	1.7
117.07022	8.8
119.08585	18.2
121.10156	11.7
123.08106	1.8
123.11689	3.1
128.06282	1.8
129.07024	9.0
131.08583	6.9
133.10146	10.1
135.11690	6.2
143.08574	6.4
145.10136	6.8
147.08078	2.1
147.11684	23.8
149.13293	2.3
159.11708	4.0
161.09584	3.0
161.13297	7.0
165.12761	2.0
171.11662	16.1
184.07344	6.7
189.12752	3.5
207.13832	18.4
243.20988	1.9
245.17073	1.5
261.22177	4.9
279.15927	1.7
281.17511	47.8
282.17792	1.8
335.25809	48.8
336.26312	2.5
541.38959	100.0
542.38965	4.3
559.39948	2.8
597.48560	2.4
742.08276	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.8
57.07067	0.3
57.38439	0.2
58.06368	0.2
58.06629	0.5
60.08164	5.5
63.09090	0.2
69.67033	0.9
70.06615	0.2
71.07376	3.4
71.08635	0.2
81.03404	0.2
81.07072	0.2
83.57706	0.2
86.09707	28.4
95.08620	0.3
98.20744	0.2
98.98459	3.1
99.31823	0.2
102.52621	0.2
104.10754	2.2
105.07027	0.2
121.79518	0.2
125.00008	20.2
134.23615	0.2
184.07341	100.0
185.07736	0.4
194.29976	0.2
199.24654	0.2
267.15884	0.3
313.27393	0.4
619.37817	0.2
688.45410	6.6
689.45575	0.2
721.89899	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	735.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.5
55.01871	1.6
55.05513	64.9
57.03448	0.9
59.05022	0.5
63.35512	0.5
65.03947	3.5
65.04237	0.6
65.05289	0.5
66.97720	0.5
67.01859	3.2
67.05510	3.8
69.03432	2.2
69.07088	0.8
71.05030	0.6
71.50860	0.6
76.79404	0.5
79.05495	5.2
81.03423	2.1
81.07065	2.6
83.04986	100.0
85.02895	0.7
91.05479	9.7
93.03409	1.8
93.07065	4.4
95.01312	0.7
95.04978	9.3
95.08625	1.7
97.02901	1.2
97.06564	0.7
99.04456	0.9
103.05476	2.1
105.03380	1.2
105.07037	6.0
107.04964	5.5
107.08604	2.7
109.06538	2.4
109.10192	0.9
111.04424	1.1
111.13481	0.5
113.02405	0.7
115.05456	6.0
116.06281	0.7
117.07012	4.7
119.04961	1.7
119.08592	2.9
121.02898	2.2
121.06499	3.7
123.04442	1.9
123.08065	0.6
128.06235	8.2
129.07019	12.8
130.07767	1.0
131.04883	2.8
131.08537	4.8
133.06514	2.8
133.42010	0.6
135.04443	2.9
135.08054	1.6
135.11690	0.7
137.05984	1.2
141.06985	8.6
142.07785	16.2
143.04922	0.9
143.08582	6.2
144.05717	1.1
145.06528	4.2
145.10146	1.5
147.04422	1.7
147.08054	1.5
149.05995	1.5
151.03893	1.0
152.06206	7.4
153.07028	5.4
154.07773	4.8
155.04913	0.7
155.05980	1.0
155.08549	5.5
156.09514	0.5
157.06535	4.2
157.10139	11.1
159.04410	2.8
159.08034	4.3
161.05995	5.9
161.09602	1.6
163.03928	2.1
163.07553	1.4
163.11244	0.9
165.05583	1.3
165.07031	4.3
166.07782	2.1
167.08565	11.3
169.06429	3.1
169.10132	4.4
170.07298	4.6
171.08055	5.8
173.06013	2.3
173.09625	2.9
175.07620	0.7
175.11240	4.4
177.05431	1.0
178.07880	0.8
179.08568	1.6
181.06508	0.7
182.07423	1.0
183.08064	2.7
184.05368	0.7
184.07274	0.9
185.06059	1.4
185.09627	21.9
186.09967	0.6
187.07570	2.8
187.11226	0.8
189.09071	1.3
195.08066	10.7
196.08720	0.8
197.05986	1.9
197.09613	4.0
198.06781	3.2
199.07504	4.1
201.05502	0.8
201.09157	1.9
203.10699	1.4
211.07564	1.1
213.09119	31.6
214.09682	0.6
215.07031	1.9
215.10680	2.0
217.08574	1.9
223.07585	3.9
225.09128	1.6
227.12787	1.2
229.08624	1.2
231.10156	2.1
241.08592	21.6
242.08882	0.6
243.10115	4.7
257.08170	0.7
259.09680	12.1
313.14227	1.4
323.12738	0.9
341.13837	13.5
343.15414	1.0
359.14886	7.2
460.92502	0.6
735.36084	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01887	2.4
55.05515	68.4
56.05849	0.6
57.01229	0.5
65.03947	2.3
67.01871	2.1
67.05509	2.7
69.03433	1.7
70.06609	0.9
71.22296	0.5
71.51255	0.8
73.91220	0.5
77.03943	0.6
79.05495	3.7
81.03410	1.8
81.07070	1.4
83.01331	0.9
83.04986	100.0
91.05489	7.0
93.03410	0.9
93.07048	4.2
95.01285	0.5
95.04984	4.3
95.08598	1.0
97.02919	1.0
97.06517	0.7
103.05483	1.5
105.03395	0.6
105.07031	4.3
107.04961	3.4
107.08607	2.0
109.06514	1.4
111.04446	1.6
111.49622	0.5
115.05463	5.4
116.06277	1.1
117.07029	5.6
119.04939	1.3
119.08588	2.2
121.02880	1.0
121.06487	2.6
123.04477	1.0
123.08099	0.5
127.05450	0.6
128.06219	8.8
129.07022	11.3
131.04929	2.0
131.08591	3.8
133.06523	1.5
133.10170	1.1
135.04390	1.5
135.08037	1.6
137.06047	0.6
141.06982	9.8
142.07785	19.4
143.04953	1.0
143.08580	8.3
144.05730	0.9
145.06482	5.3
145.10162	2.0
147.04364	1.2
147.08044	1.4
149.05884	0.8
152.06213	8.2
152.52390	0.5
153.07016	4.5
154.07793	5.7
155.04909	0.8
155.06038	1.1
155.08575	4.1
157.06543	4.6
157.10135	13.1
158.10585	0.6
159.04437	1.8
159.08087	4.1
159.11671	0.7
161.05962	2.7
161.09639	0.9
163.03964	0.7
163.07532	1.2
165.07011	5.1
166.07788	2.0
167.08574	13.2
169.06483	3.2
169.10143	3.6
170.07309	6.0
171.04327	0.5
171.08046	9.5
172.08672	0.5
173.05974	3.2
173.09622	1.9
175.07542	2.6
175.11192	4.2
177.09207	0.8
178.07816	0.7
179.08537	1.4
181.06479	1.0
181.10033	0.9
182.07289	0.9
183.08025	2.8
185.05965	1.7
185.09624	23.5
187.07584	2.8
187.11176	1.0
189.09093	2.5
191.07065	0.7
195.08076	12.6
196.08592	1.0
197.05939	1.6
197.09584	3.2
198.06763	3.4
199.07582	5.3
201.05450	0.9
201.09122	1.5
203.10612	0.8
207.07755	0.9
211.07495	1.6
213.09117	38.3
215.07080	1.1
215.10696	1.3
217.08595	3.0
223.07628	4.8
225.09024	0.9
229.08614	1.9
230.74802	0.6
231.10194	2.8
239.06998	1.0
241.08604	26.9
242.08961	0.7
243.10117	2.6
259.09644	14.1
277.10645	2.3
295.11856	1.2
313.14343	1.2
333.15213	0.6
341.10129	0.7
341.13885	9.9
342.13806	0.6
351.34610	0.5
359.14911	0.6
377.15918	4.3
471.17984	0.8
517.17938	1.1
617.23029	0.7
635.24243	0.9
735.29779	0.5
735.37170	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65693	0.7
53.03945	3.6
55.01870	2.0
55.05516	65.7
57.07078	0.6
65.03941	12.1
67.01854	3.2
67.05508	5.5
69.03439	6.1
69.07083	1.5
69.78596	1.9
69.79012	1.9
71.04984	1.5
79.05495	9.4
80.60628	0.7
81.03417	3.2
81.07070	5.4
83.04986	100.0
84.05283	1.1
86.09718	0.7
91.05482	12.3
93.03410	7.1
93.07056	6.0
95.04980	11.1
95.08636	2.2
97.02910	1.6
97.06531	2.1
103.05475	2.3
105.04536	0.8
105.07038	12.5
107.04955	5.4
107.08594	2.4
109.02893	1.6
109.06509	3.6
109.10150	0.8
111.04431	1.0
115.03928	1.6
115.05450	6.2
116.06244	0.9
117.07042	6.1
119.04967	2.1
119.08595	4.9
121.02876	9.3
121.06515	2.8
121.10159	1.0
123.04467	0.7
123.08091	1.8
128.06241	9.4
129.07007	13.7
130.07811	1.0
131.04939	3.6
131.08574	5.6
133.06534	8.2
133.10123	1.7
135.04439	3.8
135.08069	1.9
135.11755	0.8
137.06020	1.5
139.03879	0.7
141.07005	9.6
142.07791	15.7
143.08582	8.5
144.05750	1.0
145.06505	6.0
145.10121	4.3
147.04416	1.8
147.08051	3.7
147.11723	1.1
149.02379	1.0
149.06004	1.2
149.09613	0.8
151.07487	0.7
152.06195	4.3
153.06989	7.2
154.07791	8.8
155.04927	1.1
155.06078	0.9
155.08560	8.8
157.06517	3.9
157.10143	9.8
158.07242	1.3
159.04434	6.5
159.08034	5.1
159.11717	1.9
161.05998	20.8
161.07266	1.3
161.09656	2.6
163.03894	1.7
163.07529	1.1
163.11223	1.2
165.05820	1.0
165.06987	4.5
166.07826	2.2
167.08578	8.1
169.06461	1.7
169.10117	11.3
170.07300	3.9
171.08069	7.9
171.11792	0.8
173.05977	4.0
173.09634	6.8
175.07625	2.0
175.11171	4.1
178.07811	1.6
179.08530	4.1
181.06474	1.4
181.10101	1.6
182.07285	3.1
183.08070	3.9
184.08815	0.8
185.06084	2.0
185.09621	16.8
187.07602	2.9
187.11229	3.1
189.09151	3.0
191.07100	1.5
195.08083	9.2
195.09807	0.8
196.08716	1.1
197.09608	11.1
198.06813	1.6
199.07524	4.6
199.11304	1.6
200.08437	1.4
201.05638	0.6
201.09094	6.9
203.10725	1.7
211.07600	0.8
213.09116	25.5
214.09538	1.3
215.10684	7.6
217.08670	2.9
221.09633	0.7
223.07594	2.9
225.09134	6.6
231.10179	2.1
241.08589	12.8
243.10176	21.9
249.11215	1.4
255.20930	0.7
259.09708	4.2
261.11243	5.7
277.10724	1.7
291.19583	0.8
313.14423	2.7
323.12601	0.8
341.13840	15.3
343.15485	1.8
361.16547	1.3
399.03201	0.8
399.08530	0.7
402.39969	0.8
415.27869	0.7
498.19327	0.7
501.19028	1.0
667.91266	0.7
698.21674	0.8
719.36737	1.1
737.38519	16.0
738.38440	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5622
Annotation	Aralia cerebroside
Peak:m/z	Relative Intensity
51.37995	0.8
53.03939	1.6
55.01857	1.4
55.05516	11.4
56.05042	4.7
57.03426	1.4
57.07079	6.3
58.06585	1.1
60.04531	74.6
65.03966	0.9
65.72283	0.8
67.05510	16.3
68.05024	1.4
69.07076	12.7
69.44614	5.9
70.06591	2.5
71.08632	3.7
72.04523	4.3
74.06080	2.4
79.05501	10.1
80.05045	1.3
81.03416	3.0
81.07064	16.8
82.06588	3.4
83.04981	0.9
83.08633	8.9
84.08140	1.1
85.02906	1.1
85.10178	1.0
86.06062	3.6
90.05559	3.6
91.05484	8.8
92.99135	0.8
93.07048	10.5
94.06583	6.2
95.04957	1.6
95.07339	1.3
95.08617	12.2
96.08135	2.2
97.06535	2.2
97.10195	5.3
97.90065	0.8
98.06062	1.7
100.07613	0.9
102.75216	1.1
105.07049	6.6
107.08603	6.8
108.08097	1.6
108.21057	0.8
109.10175	5.6
110.09642	0.8
111.08125	1.0
111.11740	1.3
112.07579	1.0
119.08602	7.4
121.10174	6.2
122.09679	1.9
123.08132	1.0
123.11745	1.5
126.92654	0.7
133.10149	6.1
135.11731	3.2
137.09628	1.2
137.13245	1.0
140.10689	0.9
147.11700	2.5
149.13280	2.0
151.14861	0.9
161.13249	1.3
184.07385	1.1
219.21208	1.2
233.22725	1.1
234.22287	0.8
238.25465	1.2
240.89603	0.7
245.22580	4.7
250.25359	3.2
252.27022	0.9
253.83795	1.0
254.24777	1.5
262.25320	28.9
262.28098	1.7
263.23694	5.0
268.26199	1.0
272.25900	4.8
280.26382	28.8
280.29349	1.7
298.27496	11.8
314.26855	3.3
316.28519	2.1
344.27930	1.5
516.47601	3.0
534.48883	16.2
552.49927	100.0
553.50354	4.0
570.50922	30.0
571.51276	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.05511	1.9
57.03441	2.7
61.02926	5.5
62.86627	0.4
63.72854	0.5
63.74308	0.4
67.05512	5.7
69.03429	3.6
69.03751	0.6
69.07066	1.6
70.48021	0.9
70.48418	1.1
71.01359	1.4
71.04982	0.8
73.02922	3.7
79.05504	3.4
81.03427	2.1
81.07068	4.7
83.04964	0.5
83.08613	0.7
85.02915	5.3
87.04478	0.5
91.03965	3.5
91.05489	2.4
93.07048	3.6
93.07543	0.5
95.05003	0.6
95.08622	4.1
97.02900	5.3
97.06475	0.5
99.04462	1.0
101.02383	1.7
105.07044	2.4
107.08613	1.9
109.02872	0.8
109.10162	1.7
116.58015	0.6
119.08582	1.3
121.10169	1.7
125.00003	1.0
127.03916	1.0
131.08594	1.1
133.10181	1.1
145.10208	0.7
152.04915	0.5
153.52155	0.4
182.67618	0.4
184.07401	1.8
185.07739	0.6
195.00369	1.7
201.46016	0.5
237.10973	0.5
243.08369	2.1
269.17838	0.5
300.80606	0.5
312.77319	0.5
335.25659	0.7
345.99579	0.5
354.94662	0.6
381.24728	0.6
413.18146	0.7
455.18896	5.0
519.29358	6.8
543.35498	0.7
561.37128	2.8
733.41321	100.0
734.41779	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	735.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44062	0.9
52.54287	0.9
52.98020	0.9
53.03936	4.0
55.01873	1.2
55.05514	76.8
56.05854	1.2
62.30909	0.9
65.03944	2.0
66.27242	0.7
67.01866	2.0
67.05476	2.8
67.44858	0.7
69.03415	2.0
79.05513	4.2
81.07053	1.4
83.04984	100.0
84.05309	1.6
87.00821	1.2
91.05477	9.3
93.07021	2.7
95.04975	13.0
97.02882	9.3
97.06504	1.0
103.05434	1.2
105.07016	5.9
107.04970	5.8
107.08559	2.4
109.06528	0.9
111.04435	1.4
115.05459	4.9
117.07027	7.2
119.04961	2.5
119.08581	2.4
121.02917	1.2
121.06510	2.4
123.04435	1.7
126.38396	0.8
128.06236	7.5
129.07028	8.6
131.04921	2.3
131.08557	3.2
133.06468	2.1
135.04411	3.8
135.08029	1.0
137.05901	1.2
141.07011	6.5
142.07800	8.6
143.08569	5.6
145.06517	4.4
145.10103	1.0
147.04408	2.8
147.08052	2.3
149.05928	1.3
152.06201	4.8
153.07013	4.7
154.07770	5.9
155.08528	5.3
155.49461	0.9
157.06480	4.3
157.10168	5.3
158.07266	1.5
159.04398	4.4
159.08058	5.4
161.05972	4.8
163.03981	1.3
163.07550	1.5
165.06993	6.3
166.07745	1.8
167.08604	8.7
169.06468	1.9
169.10143	10.4
170.07245	3.1
171.08073	5.9
172.08881	0.9
173.06012	1.5
173.09624	1.0
175.07591	1.9
175.11214	2.5
177.05550	0.9
178.07770	2.8
179.08549	3.5
181.04922	0.9
181.06464	2.2
181.10074	1.1
183.08012	3.5
185.05992	1.3
185.09641	10.9
187.07518	2.6
191.08553	1.5
193.10158	2.0
195.08055	8.5
197.09633	3.5
198.06694	2.0
199.07527	2.4
200.08144	0.8
202.07805	2.1
203.06995	2.1
203.08658	1.2
205.10074	1.4
207.08089	2.1
207.11670	1.2
209.09633	2.4
211.07529	3.2
213.09126	14.6
214.09605	0.9
215.10675	3.5
216.09299	1.7
217.10251	1.4
219.07999	1.2
219.11745	0.8
221.09631	2.6
223.07527	2.3
223.11183	1.4
225.09216	1.6
228.09413	1.3
229.08517	1.1
229.28813	0.9
233.09750	1.8
235.11186	1.1
241.08618	7.5
243.10175	2.5
249.09306	1.3
251.10670	3.3
259.09607	5.6
260.12155	1.0
261.09106	1.1
263.10684	1.6
268.10968	1.0
271.11157	1.4
283.11038	0.9
285.12714	1.3
313.11789	1.1
341.14035	12.6
343.15640	1.0
361.26248	0.9
424.63934	0.9
435.15616	1.6
455.18738	1.6
471.18024	2.7
489.18744	1.2
499.17050	3.1
517.18744	5.4
599.22052	1.4
617.23669	8.3
674.73889	0.9
718.29095	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
55.05513	9.5
56.05035	3.4
57.07068	5.8
58.06597	0.6
60.04530	61.8
63.47518	0.5
65.03946	1.2
67.05180	0.9
67.05511	12.7
69.03423	0.7
69.07074	12.4
69.25625	5.3
70.06590	2.5
71.08625	3.7
72.04516	3.9
74.06065	2.0
79.05503	8.1
80.05007	1.0
81.03423	3.8
81.07059	15.9
82.06590	3.5
83.04974	1.2
83.08624	9.0
84.08126	1.1
85.02900	0.8
85.10182	1.2
86.06058	2.8
90.05560	3.3
91.05482	8.7
93.07049	9.7
94.06579	5.5
95.04962	2.1
95.07338	1.8
95.08618	13.9
96.08142	1.2
97.06519	1.5
97.10162	4.7
98.06056	1.5
98.21524	1.1
99.06060	0.5
100.07639	1.0
105.07015	6.1
107.08627	4.5
108.08138	1.5
109.06538	1.3
109.10162	4.7
110.09685	0.9
111.08089	1.2
111.11707	1.4
112.07597	0.9
116.07086	1.0
119.08580	5.7
119.77576	0.6
121.10149	6.4
122.09682	1.6
123.08031	0.7
123.11730	1.9
125.09645	0.6
133.10143	4.7
135.11671	3.0
136.11185	0.7
137.09619	1.3
137.13298	0.9
147.11653	1.8
149.13264	0.9
161.13228	0.7
189.16425	0.7
194.04727	0.7
219.21089	0.7
233.22661	1.0
245.22639	3.4
250.25359	3.4
252.26842	0.9
254.24823	1.3
262.25320	27.2
263.23654	4.9
266.24979	0.7
268.26450	1.5
272.25858	6.0
280.26376	27.3
284.46179	0.6
298.27393	9.4
302.73907	0.7
314.26871	3.8
316.28516	2.0
344.28018	1.1
440.88956	0.7
516.47906	3.4
534.48828	15.9
552.49908	100.0
553.50165	2.7
570.50983	29.7
571.51465	1.4
577.53009	0.6
645.65173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.329
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84112	0.8
67.05514	0.9
71.50836	1.3
81.07066	1.3
86.09725	1.7
89.60130	0.8
90.59284	0.9
93.07052	1.0
95.08646	1.3
96.53743	0.8
129.23315	0.9
165.50713	0.8
184.07381	2.3
223.23077	0.9
235.12360	0.9
248.02612	0.9
249.14143	0.9
261.13782	0.7
262.13736	0.9
276.15192	1.2
288.14990	1.2
290.16541	0.8
314.16638	1.2
337.15390	1.1
338.16550	1.1
352.18021	0.9
364.17337	1.2
365.17728	1.5
377.17780	1.4
378.18671	1.0
379.19324	3.4
380.20193	1.6
381.21112	1.3
390.19077	1.4
391.19675	2.1
393.16959	1.2
394.21942	1.2
395.18756	1.4
405.17084	2.0
407.18661	2.5
407.23175	1.5
408.19620	3.5
409.20346	7.8
418.17966	1.1
419.18933	1.7
421.20474	3.2
422.21057	2.5
423.21939	15.6
424.22476	3.2
426.21176	0.8
433.20291	1.6
435.21979	3.0
436.22861	3.2
437.23599	3.1
438.24533	4.4
447.22153	1.5
449.23587	2.4
451.21353	2.5
452.22604	1.2
453.19263	1.0
454.20148	1.5
461.23788	1.8
463.21460	2.5
464.22531	0.9
465.23819	1.5
466.19888	1.7
467.25421	1.6
475.21582	1.5
477.23752	1.7
479.21304	1.2
480.21878	1.2
481.22659	3.1
491.20511	1.0
493.18097	1.6
494.23273	2.6
495.24155	4.7
496.23535	1.5
507.23962	2.4
508.25333	4.0
509.26575	6.2
510.26495	5.3
511.27078	2.9
512.25708	1.0
513.25098	1.5
519.24567	1.1
521.26221	4.7
522.26129	2.4
523.23907	2.4
523.26709	2.9
525.21790	3.4
527.27100	1.3
533.22040	1.2
537.25287	17.0
538.25604	2.6
539.22198	4.3
548.24542	1.5
549.24603	2.6
551.23346	1.2
552.27118	1.7
553.28778	5.8
554.25281	20.3
555.26227	5.1
567.25165	1.0
579.25916	1.6
580.26740	2.7
581.27301	2.8
582.25293	1.5
583.25763	1.1
593.24097	1.2
597.27216	10.0
598.27985	4.6
607.25604	1.7
609.24084	1.1
612.29773	8.0
613.30023	5.2
615.27954	0.9
625.26697	3.3
639.28284	2.3
640.28796	3.3
656.28467	7.1
657.29187	8.1
667.27734	10.5
671.27740	1.8
672.31390	3.9
681.29041	1.7
699.30310	86.5
700.30371	5.3
731.32953	100.0
732.33429	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	731.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	1.1
57.07079	1.4
67.05511	2.1
69.14720	8.6
81.07059	2.4
81.34263	0.9
86.09714	1.0
89.06047	1.6
89.38232	0.9
91.05496	2.4
95.08628	1.4
112.56586	0.9
121.10198	1.0
125.00027	1.3
129.02533	0.9
133.08563	1.2
134.48491	0.9
144.07863	0.9
167.63661	1.0
184.07390	2.4
248.13211	1.0
262.13293	1.3
263.11707	1.5
274.13187	1.0
276.15164	1.3
351.16623	0.9
363.16348	1.5
365.18030	1.7
377.17764	2.1
379.19589	2.3
380.20193	1.6
381.20911	1.0
391.19330	2.8
393.21118	1.7
395.18683	2.2
405.21127	1.7
407.18295	2.3
407.22937	2.4
409.20331	6.4
421.20398	2.9
422.21487	1.4
423.21970	13.2
424.22644	2.6
434.21515	1.7
435.21857	3.7
436.22549	3.8
437.23688	2.1
447.22159	2.0
449.23898	2.0
450.24524	1.9
451.21194	2.8
453.18658	1.1
454.20197	2.4
461.23181	4.1
462.20505	2.3
463.21014	2.5
465.23407	1.2
466.19873	2.0
467.20602	3.5
467.25577	1.8
475.21564	1.4
477.18573	1.6
477.23782	2.1
478.23685	1.3
479.20297	1.5
481.22354	5.6
491.20892	1.2
492.21378	1.1
493.22433	3.8
494.23483	1.8
495.23730	5.8
505.22757	1.3
507.23804	2.9
508.24908	6.8
509.26260	7.2
510.26938	7.8
511.27475	8.3
521.25403	4.1
523.26135	2.2
525.21320	1.9
525.28827	1.7
527.26050	1.7
537.25055	25.9
538.25366	3.2
539.22168	6.0
540.24451	1.3
548.23492	1.1
549.25208	2.2
551.22919	3.5
553.27460	1.6
554.25177	33.6
555.25946	6.5
565.24402	2.7
567.23694	2.0
571.29401	1.4
579.24707	1.7
580.26880	2.2
581.27545	3.7
582.24823	2.1
583.25684	4.3
597.27124	11.6
598.28204	4.3
609.22998	1.8
612.29565	8.6
613.30194	10.7
625.26483	2.5
640.29102	2.0
641.25958	2.6
656.28534	7.1
657.29156	9.5
667.27759	4.0
671.29590	1.2
672.31158	2.6
699.30237	94.0
700.30774	4.5
731.32843	100.0
732.33472	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	731.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.7
53.03949	12.4
55.01865	7.3
55.05276	2.8
55.05514	34.1
57.03443	17.4
57.07076	6.2
65.03921	8.1
67.05508	100.0
69.03437	21.2
69.07076	32.2
70.89625	2.3
71.04986	8.6
71.51227	4.1
73.02923	3.9
75.78645	2.9
79.05499	88.2
81.03421	33.2
81.07062	95.8
83.04986	25.3
83.08637	12.7
85.02894	11.1
86.09695	7.3
91.05489	87.0
93.07046	94.2
95.04994	13.5
95.08607	64.9
97.02897	13.7
97.06534	8.1
97.10171	4.7
99.04448	7.2
99.08064	3.9
105.04523	4.7
105.07037	53.2
107.04936	7.7
107.08594	45.5
109.02855	9.0
109.06521	7.8
109.10162	28.1
111.04437	6.6
115.05492	3.9
117.07024	42.0
119.04881	2.9
119.08585	39.2
121.06511	4.7
121.09332	3.5
121.10163	45.9
123.08044	6.3
123.11706	8.6
124.39375	2.4
124.99970	3.4
125.09611	3.4
127.03927	8.7
128.06200	5.6
129.05467	11.0
129.06993	19.4
131.08571	42.7
133.06502	6.1
133.10141	30.1
135.08032	6.6
135.11726	20.4
137.09615	4.5
139.11142	2.9
141.06964	7.0
142.07852	4.0
143.08566	20.9
145.06425	4.6
145.10132	23.0
147.08054	4.7
147.11711	16.4
149.09636	4.4
149.13268	4.5
155.08551	9.0
157.10211	12.8
159.08089	3.1
159.11681	13.9
161.09622	3.3
161.13261	10.8
163.14778	3.4
167.08635	3.4
169.10117	9.0
171.08064	5.0
171.11691	10.0
173.09593	2.9
173.13280	11.8
174.50781	2.5
175.11263	3.9
175.14848	3.6
177.16486	2.8
178.59016	2.3
183.11732	3.3
184.07370	20.9
185.13258	7.6
187.14804	9.0
189.12854	3.2
189.16399	7.4
193.12221	3.5
195.11597	2.9
197.13258	7.1
199.14894	15.2
201.16295	3.4
205.49916	2.8
211.14786	3.9
213.16284	3.5
217.15906	12.0
235.16908	17.1
253.17990	5.9
259.20667	3.4
261.22101	8.1
273.18475	3.8
285.22147	2.9
291.19528	8.0
301.21463	4.6
307.18961	3.5
309.20609	25.3
335.25821	58.9
337.27380	4.4
369.24207	4.6
387.25287	3.2
405.26340	3.3
453.24954	5.4
479.29794	4.5
551.41626	3.1
569.42053	63.7
571.43842	18.6
699.30133	6.9
713.45770	9.1
729.21838	2.9
731.32593	7.3
731.46796	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	731.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	1.5
56.63203	1.2
58.05791	1.2
66.45027	1.1
67.05504	3.2
74.78664	1.2
79.05501	2.5
81.03439	1.2
81.07077	2.8
91.05489	3.4
93.07052	2.6
95.08624	2.6
102.60673	1.2
103.02430	1.2
107.08578	1.7
115.09696	1.2
115.57365	1.4
119.08605	1.9
121.10143	2.1
143.08630	1.4
160.75339	1.3
184.07413	4.7
190.09348	1.3
229.04822	1.5
280.73227	1.5
314.16885	1.6
363.16092	1.6
377.17819	1.4
381.21356	1.7
395.18796	1.7
407.18103	2.1
407.22989	1.8
408.19135	2.7
409.20227	6.6
410.19128	1.2
417.17123	1.4
421.20248	2.7
423.21875	17.8
424.22665	3.4
433.20453	2.7
435.21759	4.1
437.23752	3.3
438.24136	3.6
447.22073	1.8
449.24097	2.5
451.21582	2.8
452.21994	1.4
454.20160	2.8
461.23694	2.2
463.21091	2.2
464.21570	1.7
467.20389	2.6
477.23337	2.0
481.22513	3.8
491.39859	1.4
493.18686	2.4
494.23364	2.0
495.24072	5.1
507.23987	2.4
508.24780	4.8
509.25531	5.5
510.26389	8.7
511.27759	2.3
513.25177	2.1
519.23871	1.4
521.25800	5.1
522.26514	2.4
525.21198	1.7
527.26233	1.7
537.25092	19.5
538.25177	2.5
539.23492	4.1
549.25262	2.3
552.27240	2.0
553.27679	4.9
554.25250	28.2
555.25995	4.8
565.24432	1.8
567.22876	1.9
570.27753	2.3
580.26666	3.4
581.27289	2.3
582.25519	1.5
583.25598	2.0
597.27118	10.2
598.27771	3.4
607.25342	2.0
609.23560	1.8
612.29773	9.5
613.30292	6.3
625.26727	2.5
628.31970	1.4
639.29169	2.2
640.28888	3.9
656.28595	7.9
657.29553	7.1
667.27258	10.7
671.29718	1.8
672.31232	4.8
699.30267	100.0
700.30615	5.6
731.32916	88.6
732.32935	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	729.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.7
53.03937	8.6
53.89707	2.2
55.01865	8.3
55.05517	30.7
57.03438	18.7
57.07072	3.3
60.08145	4.8
61.02916	10.9
65.03928	7.7
67.05508	96.2
68.05845	5.9
69.03432	23.6
69.07073	25.0
71.01415	2.1
71.05000	6.5
71.26704	2.5
71.51332	2.1
71.51692	2.4
73.02910	4.9
77.03893	2.3
79.05498	66.7
80.05824	2.8
81.03422	45.9
81.06590	4.4
81.07059	71.3
82.07400	2.5
83.04977	15.5
83.08611	9.3
85.02908	14.2
85.06537	5.0
86.09715	24.3
87.10033	2.6
91.03945	4.7
91.05484	100.0
92.05801	7.2
93.07043	59.0
94.07369	3.5
95.04954	14.3
95.08608	55.2
96.08942	3.8
97.02911	23.4
97.06508	5.0
97.10157	5.6
99.04458	6.7
103.05446	4.9
105.07032	64.9
106.07377	5.6
107.04944	10.2
107.08598	33.1
109.02875	6.8
109.06501	6.6
109.10168	25.9
109.16783	2.4
111.04434	3.7
111.08083	3.4
115.05435	5.4
117.06239	3.2
117.07018	35.5
118.07404	2.3
119.08585	44.1
119.57435	2.6
120.08913	3.0
121.06487	6.7
121.10136	28.8
123.08067	5.1
123.11703	5.5
125.00034	16.4
127.03888	10.5
127.11130	2.8
128.06201	11.0
129.05441	4.4
129.07021	21.5
131.08572	40.1
133.06491	3.7
133.10130	48.6
134.10489	12.0
135.11679	14.0
137.06024	2.6
137.09605	6.8
139.11150	2.7
141.07048	11.0
142.07768	5.3
143.08553	26.5
144.08963	2.5
145.06517	4.3
145.10121	36.7
146.10387	2.8
147.08038	4.5
147.11703	14.3
149.09622	6.4
149.13234	7.3
151.11174	8.2
153.07024	2.4
154.07730	2.3
155.08575	18.8
156.09221	3.2
157.10118	19.3
159.08092	3.2
159.11705	17.5
161.09607	10.4
161.13243	7.5
162.09984	2.7
163.11163	3.7
167.08534	9.6
169.10141	20.5
171.11700	19.3
173.04492	12.0
173.09460	3.0
173.13266	9.6
175.07487	3.3
177.12735	2.4
179.08473	3.3
179.10695	4.1
180.09450	2.7
181.10124	10.3
183.11699	17.2
184.07356	62.9
185.07758	3.1
185.13300	12.6
187.14877	6.1
193.10085	5.2
195.10098	2.2
195.11751	14.5
197.13242	10.0
199.05969	2.9
199.14827	8.4
207.11618	4.6
209.13243	7.7
211.14818	7.3
217.15974	3.4
221.13306	5.3
223.14857	6.4
225.12767	2.5
225.16457	4.1
231.13689	3.1
231.17346	2.7
233.15433	4.7
237.16287	3.0
253.14325	6.7
254.14610	4.7
257.18903	2.6
259.20615	5.8
261.22116	7.7
271.15417	18.7
272.15710	13.7
306.71396	2.5
307.19061	5.0
309.20691	3.0
335.25851	25.1
336.26190	20.5
341.24640	3.3
342.73709	2.9
451.22781	2.8
453.24432	3.6
475.35538	7.6
493.36453	8.2
511.37622	2.6
514.36188	7.1
531.36877	5.7
532.37256	28.0
533.36633	2.6
549.39093	7.5
550.38037	3.0
565.38562	3.6
567.40417	75.7
568.40503	5.3
569.41553	6.6
579.39880	3.2
585.40991	6.9
591.40131	3.8
675.41754	4.8
711.43958	8.5
729.45837	34.0
730.45862	5.0
731.87848	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	729.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.7
55.01870	1.0
55.05521	1.2
57.03437	2.9
57.07061	1.6
61.02936	6.1
61.68348	0.6
67.05514	6.2
69.03443	4.7
69.07072	1.3
71.08666	0.6
73.02927	4.4
79.05511	3.3
83.08630	2.7
85.02925	6.4
85.10181	0.8
89.79775	0.7
91.03976	3.2
91.05511	2.5
91.48009	0.7
91.52031	0.6
93.07064	2.8
95.04984	2.4
95.08620	3.1
97.02904	4.6
98.21540	1.3
99.04430	0.7
101.02380	1.4
105.07062	2.0
107.08623	1.8
109.02882	0.9
109.10186	3.5
110.10512	0.7
111.08092	0.8
115.04077	0.6
119.08611	1.2
121.10192	1.8
123.11676	0.7
124.76552	0.6
127.03959	1.7
129.07019	0.8
131.08611	1.7
133.10178	1.1
135.11731	1.0
144.77144	0.6
145.05029	0.6
147.11708	0.8
173.11710	0.6
175.11304	1.1
184.07430	1.8
185.04300	1.2
193.12277	1.9
203.05424	0.7
212.45779	0.6
229.14397	3.6
230.14803	1.8
243.08432	1.3
313.27597	1.9
314.27740	1.7
433.68262	0.7
451.19507	9.3
467.37701	1.0
468.37915	2.4
519.29291	7.8
583.53394	0.7
617.45557	1.5
665.26483	1.1
697.29681	1.1
729.41888	100.0
730.42218	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	729.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01877	1.8
65.03951	10.3
66.02795	1.1
67.05508	2.0
68.46420	1.1
69.03449	2.6
70.06586	1.6
71.51256	1.7
72.08165	1.3
78.04706	1.9
79.05487	5.4
81.03413	1.7
82.04208	2.4
85.02896	4.7
86.09722	2.2
91.05481	6.3
93.03395	9.5
95.01339	1.9
95.04960	1.4
97.02922	1.0
97.06514	2.0
99.89362	1.2
103.05482	6.9
105.07059	6.7
106.04245	1.4
107.04991	7.6
109.02861	2.0
110.03671	10.9
111.04469	9.0
115.05469	4.2
117.07038	1.4
118.04182	1.3
119.04945	6.5
120.37728	1.1
121.06517	1.9
122.03631	1.7
123.04436	3.9
124.05282	1.2
125.05991	14.1
128.06253	2.8
129.07019	3.6
131.04942	7.2
132.05670	1.6
133.06534	4.1
137.05998	11.5
138.03195	1.2
144.05699	1.7
145.04915	1.2
145.06479	1.6
147.04472	7.9
147.08049	2.8
149.06006	1.6
151.03964	2.6
151.07564	2.7
152.04704	1.5
153.05484	69.3
159.08092	4.5
160.05254	1.3
161.06018	9.2
163.03934	1.4
163.07539	5.8
167.07059	41.1
171.04398	1.5
172.05208	2.0
175.07565	12.3
177.05467	2.4
179.07092	4.2
179.08571	2.2
181.04996	2.0
185.06001	2.6
186.06717	3.3
187.07523	8.0
189.05455	4.4
189.07080	3.0
190.07838	2.2
191.07037	9.0
191.08624	3.9
193.06589	1.4
193.08551	1.2
198.06732	1.2
199.07568	4.8
202.07802	3.9
203.08582	5.2
204.05717	1.3
205.06509	4.2
206.07312	2.5
207.06494	1.6
208.08917	1.9
215.06891	2.0
215.08769	1.7
216.07758	5.9
217.06291	1.1
218.07274	4.3
219.08102	8.5
220.08879	4.7
221.05959	3.5
221.09659	3.4
223.07628	1.8
229.08662	6.9
230.07115	1.3
231.08067	5.1
232.08890	2.0
233.05957	3.2
233.09659	2.5
234.06747	4.3
235.07614	6.3
236.08408	5.8
237.09157	1.8
245.05998	1.3
246.06801	3.2
247.07559	6.6
248.08374	6.6
249.09163	6.3
250.06294	1.8
250.09839	2.4
251.06985	2.3
251.10730	11.5
259.07584	2.8
260.08377	2.7
261.05432	2.8
261.09122	6.9
262.06052	1.9
262.10104	1.4
263.07007	3.8
263.10651	2.7
264.07867	9.8
265.08633	13.2
274.06305	1.9
275.07043	3.7
276.07822	9.5
277.08603	7.7
278.09467	4.5
279.07260	1.5
279.10175	8.3
280.10928	1.7
281.08234	1.8
281.11649	4.8
288.08032	1.5
289.08597	3.2
290.09314	1.2
291.10110	5.2
292.07327	3.0
292.10651	2.0
293.08185	5.6
293.11472	2.0
294.08942	2.0
296.10449	1.4
304.07373	2.8
305.08057	2.6
306.08817	1.8
307.09662	34.0
308.10516	9.1
309.08029	1.2
309.11023	5.4
311.12817	2.8
319.09705	9.9
320.10480	2.6
321.11237	3.8
323.12805	7.7
328.71536	1.2
336.13577	1.3
337.10712	2.3
338.11176	1.3
339.12299	100.0
340.12585	3.9
341.13980	11.7
351.12314	39.1
352.12793	1.9
353.13794	4.3
369.13345	2.6
499.17346	2.4
546.24194	1.2
552.45734	1.3
649.19708	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01877	1.8
65.03951	10.3
66.02795	1.1
67.05508	2.0
68.46420	1.1
69.03449	2.6
70.06586	1.6
71.51256	1.7
72.08165	1.3
78.04706	1.9
79.05487	5.4
81.03413	1.7
82.04208	2.4
85.02896	4.7
86.09722	2.2
91.05481	6.3
93.03395	9.5
95.01339	1.9
95.04960	1.4
97.02922	1.0
97.06514	2.0
99.89362	1.2
103.05482	6.9
105.07059	6.7
106.04245	1.4
107.04991	7.6
109.02861	2.0
110.03671	10.9
111.04469	9.0
115.05469	4.2
117.07038	1.4
118.04182	1.3
119.04945	6.5
120.37728	1.1
121.06517	1.9
122.03631	1.7
123.04436	3.9
124.05282	1.2
125.05991	14.1
128.06253	2.8
129.07019	3.6
131.04942	7.2
132.05670	1.6
133.06534	4.1
137.05998	11.5
138.03195	1.2
144.05699	1.7
145.04915	1.2
145.06479	1.6
147.04472	7.9
147.08049	2.8
149.06006	1.6
151.03964	2.6
151.07564	2.7
152.04704	1.5
153.05484	69.3
159.08092	4.5
160.05254	1.3
161.06018	9.2
163.03934	1.4
163.07539	5.8
167.07059	41.1
171.04398	1.5
172.05208	2.0
175.07565	12.3
177.05467	2.4
179.07092	4.2
179.08571	2.2
181.04996	2.0
185.06001	2.6
186.06717	3.3
187.07523	8.0
189.05455	4.4
189.07080	3.0
190.07838	2.2
191.07037	9.0
191.08624	3.9
193.06589	1.4
193.08551	1.2
198.06732	1.2
199.07568	4.8
202.07802	3.9
203.08582	5.2
204.05717	1.3
205.06509	4.2
206.07312	2.5
207.06494	1.6
208.08917	1.9
215.06891	2.0
215.08769	1.7
216.07758	5.9
217.06291	1.1
218.07274	4.3
219.08102	8.5
220.08879	4.7
221.05959	3.5
221.09659	3.4
223.07628	1.8
229.08662	6.9
230.07115	1.3
231.08067	5.1
232.08890	2.0
233.05957	3.2
233.09659	2.5
234.06747	4.3
235.07614	6.3
236.08408	5.8
237.09157	1.8
245.05998	1.3
246.06801	3.2
247.07559	6.6
248.08374	6.6
249.09163	6.3
250.06294	1.8
250.09839	2.4
251.06985	2.3
251.10730	11.5
259.07584	2.8
260.08377	2.7
261.05432	2.8
261.09122	6.9
262.06052	1.9
262.10104	1.4
263.07007	3.8
263.10651	2.7
264.07867	9.8
265.08633	13.2
274.06305	1.9
275.07043	3.7
276.07822	9.5
277.08603	7.7
278.09467	4.5
279.07260	1.5
279.10175	8.3
280.10928	1.7
281.08234	1.8
281.11649	4.8
288.08032	1.5
289.08597	3.2
290.09314	1.2
291.10110	5.2
292.07327	3.0
292.10651	2.0
293.08185	5.6
293.11472	2.0
294.08942	2.0
296.10449	1.4
304.07373	2.8
305.08057	2.6
306.08817	1.8
307.09662	34.0
308.10516	9.1
309.08029	1.2
309.11023	5.4
311.12817	2.8
319.09705	9.9
320.10480	2.6
321.11237	3.8
323.12805	7.7
328.71536	1.2
336.13577	1.3
337.10712	2.3
338.11176	1.3
339.12299	100.0
340.12585	3.9
341.13980	11.7
351.12314	39.1
352.12793	1.9
353.13794	4.3
369.13345	2.6
499.17346	2.4
546.24194	1.2
552.45734	1.3
649.19708	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.45
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.4
56.05037	0.9
58.06610	0.4
59.07392	0.3
60.08170	5.8
63.18359	0.2
67.05506	1.0
68.04279	0.2
69.03458	0.2
69.07065	0.3
70.29158	0.2
71.07381	3.4
71.51669	0.2
79.05491	0.7
81.03436	0.5
81.07076	0.6
81.47224	0.2
86.09715	30.0
87.10049	0.2
87.78121	0.2
91.05452	1.0
93.07057	0.8
95.04966	0.2
95.08630	0.5
98.98481	3.7
102.94255	0.2
104.10752	2.1
105.07012	0.6
107.08614	0.4
109.06528	0.2
109.10178	0.4
117.07019	0.2
119.08605	0.6
121.10154	0.4
125.00018	20.3
131.08546	0.4
131.64378	0.2
133.10168	0.4
135.07974	0.2
145.09982	0.2
161.65422	0.2
184.07359	100.0
185.07733	0.7
196.13408	0.3
219.17485	1.2
220.17789	0.5
252.19836	0.2
259.46875	0.2
275.20349	0.3
335.26114	0.2
710.43311	0.2
728.45380	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	728.4501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
56.05036	0.6
57.03436	0.3
58.06636	0.5
60.08167	5.6
63.25541	0.1
67.05501	1.3
69.03382	0.2
69.07054	0.4
71.05018	0.2
71.06145	0.2
71.06477	0.1
71.07381	3.4
79.05506	1.0
80.82682	0.1
81.03412	0.3
81.07070	1.2
83.08611	0.2
85.02902	0.2
86.09710	29.1
91.05499	0.7
93.07046	0.8
95.04961	0.3
95.08586	0.8
98.98473	3.6
104.10751	2.7
105.07037	0.6
107.08600	0.5
109.10177	0.5
117.06999	0.2
119.08582	0.4
121.10165	0.4
125.00010	20.1
127.11171	0.2
131.08568	0.3
133.10147	0.4
135.11693	0.3
137.09712	0.1
145.10179	0.2
184.07349	100.0
185.07747	0.7
271.15375	1.0
297.09262	0.1
307.83710	0.2
313.84641	0.1
335.25867	0.8
531.37079	0.4
545.38135	0.2
550.86542	0.1
728.45087	4.6
729.44971	0.4
736.42822	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	728.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
55.01859	3.4
55.05514	19.9
57.03436	20.4
57.07071	3.1
61.02927	9.4
65.03934	4.7
67.05505	75.9
69.03426	11.5
69.07071	19.2
71.01352	2.5
71.04986	3.9
71.27569	1.8
71.27914	2.5
72.46607	1.3
73.02900	2.4
79.05497	44.5
81.03434	11.4
81.07058	72.7
83.04999	7.5
83.08617	9.8
85.02908	12.4
85.06532	4.4
86.09707	2.7
91.03954	2.5
91.04907	2.8
91.05482	55.1
93.06492	3.2
93.07052	49.2
95.04971	26.5
95.08608	45.6
97.02895	4.7
97.06534	8.4
97.10152	3.6
99.04463	4.6
99.08102	2.0
104.82230	1.3
105.04534	1.4
105.07029	29.6
107.04935	1.8
107.08588	28.4
109.06512	4.5
109.10161	20.6
111.08102	2.4
113.05995	1.6
113.09606	2.0
115.05450	1.8
117.07008	8.0
119.08595	22.0
121.06488	2.2
121.10140	22.9
123.08090	5.9
123.11691	8.7
124.99967	1.7
125.09605	2.5
127.11166	2.8
128.06187	2.1
129.06958	1.4
131.08577	12.4
133.10124	24.1
135.08041	4.8
135.11694	13.1
137.09608	6.5
139.11186	2.5
143.08580	5.7
145.10143	6.4
147.11696	4.5
149.09534	2.4
149.13260	5.9
151.11197	8.1
156.28203	1.4
159.11707	7.1
161.09628	10.8
161.13220	5.9
163.14822	3.1
173.13281	4.7
175.14836	2.2
179.10693	11.0
183.11700	1.5
184.07346	6.2
185.13220	2.0
187.14894	1.8
197.11761	5.3
201.80225	1.5
213.14822	2.4
215.12672	2.0
227.12717	2.7
229.14235	2.3
243.21217	4.5
253.14333	6.2
261.22189	10.1
271.15411	100.0
272.15820	2.4
301.21512	2.0
301.42953	1.4
317.24762	3.4
335.25800	80.7
336.26132	2.2
421.30969	3.3
439.32147	4.9
457.33194	3.1
513.35858	5.0
531.36780	33.5
549.37445	3.2
619.66559	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.4
55.01867	5.4
55.05264	2.4
55.05513	23.7
57.03438	20.5
57.07067	4.0
60.97494	1.4
61.02932	10.7
64.41580	1.4
65.03938	3.3
67.05508	98.4
68.23106	1.4
69.03420	11.9
69.07068	22.5
70.85616	1.9
70.85936	1.9
71.01372	1.9
71.04997	6.9
71.08621	1.5
73.02927	3.5
79.05499	52.0
79.29230	1.4
81.03446	10.6
81.07062	77.4
83.04999	9.7
83.08623	8.7
85.02913	13.6
85.06554	6.3
86.09689	2.6
91.03960	2.8
91.05487	64.4
93.07048	57.7
95.04981	23.2
95.08614	53.4
97.02899	5.9
97.06556	8.3
97.10232	2.8
99.04436	3.8
99.08110	2.2
105.07037	37.5
107.04977	2.7
107.08603	29.5
109.06515	4.2
109.10166	27.0
111.04486	1.5
111.08070	3.2
113.05999	2.5
113.09653	1.5
117.07030	9.0
119.08588	22.5
121.06445	1.5
121.10152	24.2
123.08070	5.1
123.11707	7.5
125.09617	1.7
128.06262	3.5
129.06955	2.2
131.08580	15.2
132.54668	1.2
133.10132	27.0
134.44931	1.5
135.08051	6.2
135.11705	11.6
137.09593	5.4
137.13237	1.6
139.08238	1.7
139.11195	3.7
143.08545	5.6
145.10141	9.6
147.11693	9.2
149.09627	2.6
149.13264	7.3
151.11191	9.7
157.10114	2.2
159.11696	6.4
161.09618	9.5
161.13240	7.0
163.11162	1.7
163.14792	5.3
164.30226	1.3
166.54250	1.5
173.13303	5.9
175.14850	4.1
177.16382	1.5
179.10625	9.7
184.07362	6.7
187.14850	2.9
197.11754	7.9
201.16353	1.8
229.14323	2.7
243.21062	4.2
253.14369	6.9
259.20721	1.9
261.22165	19.6
271.15417	93.5
272.15695	1.8
279.23206	1.6
301.21664	2.0
317.24722	4.0
335.25821	100.0
336.26086	3.0
421.30966	2.0
439.32138	4.1
457.33218	2.0
489.35953	8.8
513.35681	4.8
531.36810	48.8
532.37225	2.5
549.37671	2.0
555.23108	2.0
669.36951	2.7
729.41852	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	726.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70061	0.2
51.73626	0.1
53.03963	0.2
55.05508	0.5
56.05030	0.8
57.03426	0.2
58.06364	0.3
58.06635	0.5
59.07388	0.2
60.08168	6.2
67.05499	0.7
69.07066	0.5
69.15635	1.5
69.16045	0.2
70.13882	0.1
70.83735	0.2
71.04993	0.2
71.07375	3.9
72.09074	0.2
79.05499	0.8
81.03419	0.5
81.07056	1.0
83.08646	0.3
83.86159	0.2
86.09711	33.1
87.10007	0.3
91.05485	0.7
93.07059	0.7
95.04992	0.2
95.08613	0.5
97.10223	0.2
98.98475	4.2
104.10748	2.6
105.07050	0.6
107.08602	0.5
109.10163	0.4
119.08541	0.4
125.00014	21.6
127.11187	0.3
131.08582	0.2
133.10132	0.2
135.11723	0.4
145.10167	0.4
184.07352	100.0
185.07634	0.6
203.66354	0.2
219.30777	0.2
280.05957	0.2
326.85965	0.2
335.25903	0.3
726.43311	4.3
727.42578	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29834	0.1
52.51903	0.2
55.05502	0.3
56.05045	0.9
58.06620	0.5
59.07389	0.2
60.08170	7.1
63.15879	0.1
65.42429	0.2
67.05505	0.6
69.07056	0.2
71.07384	4.5
71.51877	0.3
79.05495	0.6
81.07053	0.6
86.09715	34.9
87.10018	0.3
89.26803	0.2
89.27368	0.2
91.05499	0.3
93.07046	0.7
95.08592	0.3
98.98477	3.9
104.10757	3.5
105.07021	0.2
107.08589	0.3
119.08669	0.2
121.10122	0.2
125.00019	23.0
135.11739	0.2
137.88014	0.2
145.10187	0.2
184.07358	100.0
185.07689	0.7
204.22714	0.2
247.52766	0.2
518.32709	0.3
726.43445	8.8
727.44092	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.3
55.01852	1.8
55.05518	15.1
56.87493	1.1
57.03441	12.7
57.07072	3.4
59.37019	1.2
61.02918	2.8
64.59278	1.3
65.03941	3.9
67.05508	66.7
69.03430	2.2
69.07071	24.5
69.25632	10.8
69.26041	2.4
69.64140	1.5
71.04995	4.4
71.08613	2.0
73.02934	1.5
79.05496	46.4
81.03445	2.2
81.07059	81.2
83.04968	6.0
83.08617	12.7
85.02914	2.8
85.06538	3.3
86.09692	3.8
91.03952	1.5
91.05480	25.0
93.07050	65.1
93.07640	3.1
95.04969	5.1
95.08609	38.0
97.02887	2.6
97.06535	8.5
97.10165	2.9
99.08092	3.5
100.68778	1.2
105.04525	1.7
105.07027	12.3
107.08597	38.3
109.06517	3.1
109.10167	11.7
111.08066	5.2
117.07034	9.3
119.08593	9.0
121.10149	25.1
123.11699	4.5
124.99941	2.0
125.09602	1.6
129.07021	1.8
131.08572	11.7
133.10136	9.1
135.11716	12.3
139.11139	2.1
141.01001	1.3
145.10127	6.1
147.11729	6.3
149.13272	27.3
159.11711	10.9
161.13283	1.5
163.14803	1.4
173.13213	2.1
177.12741	5.5
184.07338	8.6
189.91000	1.4
195.13832	8.5
197.64835	1.4
208.81422	1.5
223.27257	1.3
243.21240	3.0
258.88324	1.3
261.22214	10.9
267.15887	2.9
269.17502	68.0
317.24628	2.1
335.25812	61.9
336.26138	2.8
343.22720	1.6
386.38623	1.5
529.38928	100.0
530.39075	4.7
547.39880	1.8
726.45215	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	724.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41931	0.2
55.05512	0.3
55.08665	0.1
56.05048	1.0
57.07077	0.3
58.06350	0.2
58.06609	0.3
59.07408	0.2
60.08165	6.0
61.76582	0.1
67.05511	0.7
69.07076	0.2
70.00644	0.4
70.01042	0.3
71.07375	3.6
79.05500	0.6
81.03426	0.5
81.07065	0.9
81.07467	0.2
83.05009	0.2
83.08649	0.2
86.09707	30.9
87.10053	0.4
90.86718	0.1
91.05479	0.5
93.07054	0.7
95.08614	0.7
97.02878	0.2
98.98460	3.5
104.10741	2.5
105.07005	0.4
107.08611	0.3
109.06526	0.2
109.10172	0.3
116.99417	0.2
121.10194	0.2
125.00005	20.3
131.08534	0.2
133.10181	0.2
135.11711	0.2
136.64137	0.2
138.84306	0.2
143.01028	0.2
150.49472	0.2
150.59148	0.2
163.11220	0.2
184.07339	100.0
185.07732	1.4
186.07768	0.4
209.11641	0.2
275.68845	0.1
401.58356	0.2
441.23578	0.2
496.33493	0.2
544.36646	0.2
688.45532	5.5
689.45105	0.3
724.27765	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08158	3.3
67.05491	6.5
71.12402	4.1
79.05482	4.6
81.07070	3.5
83.05015	2.2
86.09710	20.8
91.05488	4.1
93.07045	3.6
95.08624	3.4
95.33702	1.9
105.07043	3.2
125.00034	13.6
126.70815	2.3
133.10114	2.0
169.17854	1.7
184.07355	53.2
273.13855	2.2
405.20828	2.6
416.19180	3.8
417.20309	5.3
418.20657	3.7
419.21960	3.1
421.23618	6.1
430.20218	7.6
431.21805	2.6
432.22604	4.4
433.23660	8.3
443.21283	5.3
444.22147	10.8
445.22913	8.0
446.23419	5.7
447.24539	4.3
458.23447	7.7
459.21625	10.0
460.21030	4.8
460.24725	6.5
461.23593	4.4
472.25171	3.6
474.26205	7.2
475.23489	3.8
489.22888	3.3
491.24426	3.1
504.23712	7.6
505.25589	2.6
518.25244	7.5
519.25543	3.3
532.27118	4.5
533.27789	2.2
534.28906	18.0
545.25354	3.1
546.29047	9.5
547.27106	16.8
560.29401	3.2
561.30359	4.4
562.27478	4.3
563.26385	14.7
564.26752	3.0
574.28180	2.8
588.29578	6.8
589.30017	4.4
605.28259	5.4
606.28809	4.5
620.32397	77.3
621.29541	5.7
622.28058	8.5
634.30414	21.2
664.31348	100.0
665.31842	4.6
726.31372	55.6
726.43048	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	724.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.5
53.55107	1.1
55.01867	3.2
55.05269	1.7
55.05513	21.5
57.03439	23.8
57.07087	2.0
59.04993	1.4
61.02922	4.1
65.03939	3.9
66.22114	1.2
67.05504	64.3
69.03423	4.9
69.07068	17.5
69.15180	1.2
69.15491	14.0
71.05001	3.4
76.05674	1.4
79.05019	1.1
79.05493	50.4
81.03418	96.7
81.07058	64.1
83.04987	7.2
83.08619	20.9
85.02892	4.3
85.06544	2.5
86.88844	1.1
91.03966	2.4
91.05479	36.9
93.07045	51.7
94.07353	1.5
95.04977	32.4
95.08607	43.9
97.02910	4.1
97.06534	4.2
97.10179	8.5
99.08126	1.5
103.05510	1.3
105.04529	1.3
105.07030	29.0
107.04950	8.3
107.08595	25.8
109.02914	1.5
109.06530	5.0
109.10152	18.8
109.10841	1.6
111.04450	1.6
111.08086	5.2
115.05462	2.0
117.07018	8.7
119.04916	2.2
119.08590	22.9
121.06512	3.8
121.09275	1.1
121.10144	22.7
123.04410	2.7
123.08053	3.3
123.11693	7.2
125.09651	4.6
129.06993	10.3
131.08586	16.8
133.06464	3.0
133.10143	13.4
135.08029	1.8
135.11676	13.4
137.09566	2.8
137.13278	1.8
142.07814	2.6
143.08551	1.9
145.10132	11.8
147.08084	2.9
147.11684	13.3
149.09619	3.7
149.13254	6.6
151.14877	1.3
157.10135	9.7
159.11693	7.5
160.11243	2.8
161.13268	6.6
163.11253	2.5
163.14807	4.9
165.12762	1.2
170.70657	1.1
171.11673	2.4
173.09734	1.7
173.11870	1.4
173.13318	5.2
175.11189	9.0
175.14828	3.1
177.12799	1.5
177.16518	1.4
178.83223	1.1
185.13286	1.8
187.14842	3.0
189.11249	2.8
193.12254	21.4
199.14812	2.3
225.33556	1.2
227.12859	4.5
233.22459	1.5
235.13280	3.9
235.73015	1.4
243.21080	4.2
249.14909	2.7
258.08887	4.3
261.22150	20.3
267.15921	97.0
268.16245	3.4
273.14871	2.6
279.23483	1.2
282.51740	1.4
301.14404	3.2
301.25262	4.7
309.16895	4.1
317.24796	4.2
335.25790	100.0
336.26370	2.3
336.82611	1.2
345.20880	1.4
435.27298	2.2
435.32556	5.3
453.33887	7.7
471.34708	4.3
527.37329	43.4
528.37878	2.1
545.38489	16.7
569.38318	4.0
595.46942	2.1
635.39240	1.7
724.45502	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	723.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.7
55.01868	4.1
55.05518	21.9
57.03444	7.6
59.05010	3.0
60.92893	3.3
67.05508	80.9
69.03437	12.4
69.07069	16.4
71.00947	7.7
71.01301	3.7
71.04990	25.7
79.05493	47.0
81.03419	28.9
81.07062	100.0
83.04974	22.7
83.08648	8.3
85.06528	5.9
91.05486	41.0
93.07055	43.1
95.04958	9.2
95.08618	38.1
97.02910	5.9
97.06531	8.7
97.10188	7.2
99.04515	3.4
105.07023	24.8
107.08600	25.4
109.02891	4.0
109.06551	4.0
109.10149	24.9
111.04442	3.7
111.08114	4.1
112.14254	2.7
114.93082	3.3
117.07027	11.8
119.08593	19.0
119.09288	2.9
121.10162	15.4
123.11739	12.9
127.03939	6.0
129.05504	8.7
129.07054	4.7
131.08591	15.0
133.10141	25.4
134.04996	3.0
135.08095	4.4
135.11728	12.0
143.08562	9.2
145.10143	7.9
147.11714	7.3
149.13293	9.2
151.11218	7.3
152.68785	3.5
157.10118	4.2
159.08093	4.7
159.11716	10.0
161.13298	5.1
163.03848	4.0
171.11670	6.2
175.11107	3.4
177.12839	5.8
184.07356	20.0
185.07854	4.6
185.13382	3.8
187.13339	9.2
192.47610	3.8
239.16383	3.1
243.15933	6.6
261.22266	5.6
266.20767	3.6
269.17581	7.4
335.17386	3.4
335.25711	17.6
369.24780	4.5
461.58212	3.5
503.37430	27.4
505.38803	14.5
529.38696	6.9
561.41272	19.9
673.43085	7.3
723.44739	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92407	4.4
53.03950	13.8
55.01860	5.2
55.05515	31.5
57.03428	15.1
57.07079	6.3
67.05514	91.9
69.07076	26.5
69.18652	24.8
69.19092	22.1
71.38322	5.4
76.96912	4.5
79.05502	100.0
81.03418	12.6
81.07067	81.2
83.04992	25.9
83.08631	17.4
86.09728	6.0
91.05487	56.6
93.07054	79.9
95.04969	21.4
95.08606	60.2
97.06512	6.0
105.07043	56.5
107.04935	6.7
107.08601	38.7
109.06518	10.5
109.10190	21.0
117.07054	12.6
119.08627	27.3
121.06538	5.2
121.10135	13.4
123.08095	7.3
128.06233	5.2
129.07024	22.0
131.08611	21.7
133.10130	21.6
135.08099	7.1
135.11687	16.2
139.03940	10.2
141.67206	5.1
143.08569	13.1
145.10133	24.3
147.11699	36.5
148.49506	4.8
149.13298	7.6
157.10159	7.1
159.11703	6.3
161.09676	5.2
161.13362	13.1
171.11716	22.4
172.69225	4.9
173.09714	8.8
184.07387	12.6
189.12741	12.4
199.11299	5.6
207.13870	22.2
251.04797	5.0
261.22131	10.2
281.17496	88.7
288.43887	5.7
312.05658	5.5
335.25812	35.5
524.40216	8.8
541.39044	75.9
542.38525	8.6
609.44958	9.8
637.41821	6.6
685.51282	6.8
703.52582	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	723.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	2.0
53.03946	4.2
55.01875	2.9
55.05512	10.8
57.03425	4.8
60.08148	6.7
62.90645	1.5
65.03917	1.9
67.05506	41.2
69.03423	6.7
69.07053	8.1
71.04974	2.2
71.07379	3.9
79.05496	25.2
80.85139	1.8
81.03429	8.3
81.06592	2.0
81.07065	33.2
83.04985	3.8
83.08624	6.7
85.02907	3.7
86.09708	29.7
86.65005	1.4
87.10054	5.0
91.05495	19.4
93.06491	2.7
93.07051	35.9
95.04968	5.0
95.08611	30.1
97.02894	6.8
97.06509	2.0
97.10172	2.8
98.21556	2.2
98.98476	3.6
103.92147	1.6
104.10720	3.0
105.07031	17.5
107.04973	5.9
107.08602	21.2
109.06515	2.1
109.10152	10.7
111.04422	2.4
117.07032	8.1
119.08599	12.6
121.06499	3.8
121.10143	17.6
123.08097	2.1
123.11732	3.9
125.00019	24.8
127.03896	2.4
129.07034	2.3
131.08560	7.9
133.06482	1.8
133.10152	9.0
135.08018	1.8
135.11700	21.0
139.07527	2.0
143.08551	3.9
145.10162	14.1
147.11696	3.2
149.09659	2.2
149.13327	1.9
155.08551	2.0
157.10089	2.1
159.11732	2.2
163.11182	23.1
163.14780	1.4
169.10127	1.6
173.09671	3.2
173.13312	4.1
181.12279	2.4
183.11827	1.7
184.07353	100.0
185.07710	16.1
190.56866	1.5
191.10574	3.7
209.11702	3.2
227.12782	27.0
245.88101	1.6
261.22223	2.2
275.20099	1.8
283.15393	19.3
299.23459	1.4
335.22037	2.7
335.25815	36.5
375.25592	1.8
543.36786	31.3
561.38129	2.6
718.05591	2.3
723.45471	4.4
736.06482	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.4
54.90648	1.4
55.01883	3.1
55.05517	62.6
56.91597	1.3
57.03441	2.6
65.03943	3.5
67.01871	3.8
67.05512	13.5
69.03425	3.5
69.07072	3.7
71.40965	1.8
71.63687	1.3
74.36566	1.4
75.10870	1.4
77.03939	1.5
79.05505	16.5
81.03413	5.4
81.07060	15.4
81.36966	1.4
83.04989	100.0
85.02905	1.5
86.09748	1.4
91.05492	23.1
93.07048	21.1
95.04980	33.9
95.08613	11.0
97.06557	1.9
103.05470	3.2
105.04550	2.1
105.07043	20.5
107.04966	7.5
107.08584	10.3
107.49806	1.4
109.06478	2.8
109.10184	3.2
111.04450	2.8
115.05452	10.4
117.07044	8.9
119.04951	4.0
119.08585	12.2
121.06506	6.4
121.10140	3.9
123.04445	2.8
128.06206	12.2
129.07004	14.5
131.04924	2.6
131.08563	12.0
133.06520	1.8
133.10133	5.6
135.04442	4.0
135.08115	4.5
135.11723	5.7
141.06987	9.2
142.07797	21.1
143.08568	11.3
145.06470	3.9
145.10158	10.5
147.04414	10.7
147.08124	2.4
147.11681	3.4
149.05997	1.6
151.03873	2.5
152.06178	7.3
153.07027	2.3
154.07744	6.9
155.08543	7.5
157.06572	4.6
157.10129	18.1
159.04410	15.4
159.08084	6.1
159.11707	5.7
161.09631	2.5
161.13329	2.8
163.11192	2.9
165.07007	5.3
166.07716	2.4
167.08580	13.0
169.06436	2.3
169.10132	6.8
170.07289	5.9
171.08069	8.3
171.11694	3.0
173.05974	2.3
173.13293	2.1
175.07536	2.1
175.11176	9.6
181.06557	2.0
181.10149	2.5
183.08002	3.5
185.09625	25.8
185.13321	2.8
187.07532	3.5
187.11189	2.4
187.14949	1.8
189.09155	2.1
195.08069	10.6
195.11749	2.1
198.06783	2.3
199.07579	6.3
213.09129	40.0
214.09554	2.1
218.07399	1.8
221.58255	1.8
223.07571	2.6
227.12817	2.1
231.13953	1.6
241.08620	16.5
259.09637	13.4
275.19922	1.8
313.14075	2.0
333.24265	1.9
341.13837	28.0
342.14279	2.1
359.14835	6.9
393.46988	1.6
413.17764	2.0
494.40701	1.6
534.42969	1.6
541.35553	1.7
721.37970	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	721.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83874	1.3
52.95150	1.3
53.03945	4.6
53.12244	1.1
55.01871	4.0
55.05519	61.8
55.95479	1.2
57.03436	1.5
65.03951	3.3
67.01871	5.0
67.05518	8.9
69.03422	1.5
69.07091	2.7
70.06606	3.2
70.30504	2.8
70.30860	2.6
71.05015	2.5
72.34798	1.5
79.05497	13.2
81.03423	4.2
81.07064	10.6
83.04991	100.0
85.02903	2.1
86.09731	1.4
89.62970	1.3
89.89516	1.2
91.05497	15.4
93.07056	17.5
95.04977	41.6
95.08614	7.2
96.39630	1.4
97.02917	2.0
97.06520	1.7
97.10164	1.9
98.21441	1.4
103.05505	4.3
105.04520	1.5
105.07037	16.4
107.04986	6.0
107.08607	8.6
109.02882	2.0
109.06544	2.8
109.10162	4.9
115.05462	9.1
117.07030	8.0
119.04951	4.3
119.08600	7.2
120.08095	2.3
121.02895	2.3
121.06511	6.9
121.10211	2.4
123.04488	3.1
128.06242	12.4
129.07018	18.0
131.04933	2.1
131.08607	7.4
133.06517	2.2
133.10165	4.4
135.04468	4.7
135.08101	3.7
137.05980	1.7
141.06987	10.8
142.07796	25.3
143.08620	12.3
144.05794	1.9
145.06496	4.5
145.10138	5.4
147.04419	10.9
147.08064	2.1
147.11691	2.4
152.06244	6.0
153.07039	4.6
154.07845	6.9
155.08560	6.1
157.06543	6.5
157.10156	16.7
159.04411	16.8
159.08069	6.4
159.11696	1.7
161.05963	2.7
161.09595	1.6
163.03928	2.5
165.07051	3.0
166.07788	1.8
167.08578	12.5
169.06569	3.4
169.10155	3.1
170.07324	7.2
171.08055	9.1
171.11719	2.9
173.05954	1.5
173.09637	3.4
175.07581	1.9
175.11226	10.8
177.05551	1.5
183.08069	3.3
183.11696	1.6
185.06038	1.7
185.09648	26.6
187.07578	4.8
190.80307	1.5
195.08054	11.1
197.05969	2.0
197.09727	2.2
198.06801	4.3
199.07591	7.2
203.10655	1.7
211.07603	1.8
213.09129	44.5
214.09538	1.7
215.07147	1.8
217.08714	2.3
223.07491	3.6
231.10156	2.7
241.08641	19.8
245.11906	1.5
259.09650	13.1
267.13702	1.6
267.20880	1.8
275.20102	2.0
284.17410	1.3
313.14371	3.7
315.05096	2.6
341.13879	31.7
345.09653	2.4
359.14990	4.4
487.06625	1.7
541.35199	3.2
547.32483	1.3
559.36218	3.5
636.28082	1.3
721.37762	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	721.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.0
53.03932	3.8
55.01871	1.3
55.05513	59.4
55.68272	0.9
57.03439	1.2
61.02919	1.7
61.07249	0.9
65.03920	3.5
67.05505	9.8
69.03418	4.3
69.07059	3.1
69.86390	1.0
70.06572	4.5
71.04986	1.8
71.51449	1.0
72.08135	1.2
79.05140	1.0
79.05496	11.3
81.03406	5.3
81.07060	10.7
83.04983	100.0
84.05300	1.9
85.06528	2.1
86.09708	2.2
91.05486	23.9
92.05867	1.1
93.03384	1.8
93.07043	8.1
95.04978	6.2
95.08591	4.1
97.06528	1.5
97.10159	1.2
103.05457	3.3
105.07025	12.7
107.04943	3.0
107.08634	5.2
109.02846	3.4
109.06506	3.7
109.10146	3.9
111.04366	1.0
115.05486	6.7
116.06228	2.9
117.07042	6.7
119.04906	2.8
119.08582	7.5
121.02806	2.0
121.06504	3.7
121.10121	2.3
128.06218	7.6
129.07011	15.1
131.04909	4.3
131.08569	16.8
133.06467	4.3
133.10098	3.3
135.04385	1.6
137.05969	2.3
141.07010	12.6
142.07750	7.6
143.08582	7.3
144.05725	2.5
145.06470	5.6
145.10089	3.4
147.04404	1.7
147.08012	3.8
147.11661	2.6
149.06046	1.3
149.09622	1.2
153.06990	2.8
154.07765	2.8
155.08543	7.0
156.09267	2.0
157.06430	5.6
157.10126	10.5
158.07234	1.3
159.04433	4.2
159.08057	37.9
159.11664	3.5
161.05937	2.8
161.09573	1.8
163.07515	1.6
165.05594	1.8
165.06976	4.4
166.07745	4.0
167.08539	3.3
169.06522	2.3
169.10135	5.3
171.08058	3.9
171.11674	3.4
173.06004	1.3
173.09578	3.4
173.13213	1.2
175.07559	6.3
175.11162	2.9
176.32912	1.1
179.08603	2.0
181.10109	7.7
183.11671	2.0
185.06023	5.1
185.09621	8.2
187.07552	74.6
188.07921	1.6
189.05455	1.0
189.09070	1.2
195.08109	1.3
197.09619	5.2
199.07529	1.0
199.11221	10.0
201.09166	1.6
203.10683	18.2
204.10965	1.3
205.08685	1.0
209.09578	1.7
211.10899	1.3
213.09113	4.8
215.10699	2.7
217.12224	3.7
225.09070	1.8
227.10715	8.2
227.12733	1.7
229.08476	1.2
231.10135	1.4
241.08714	2.7
241.28510	1.0
243.10107	3.5
245.11749	25.7
259.09567	3.5
261.11169	9.8
275.19809	2.0
277.10727	3.8
281.15176	1.1
295.11893	1.2
341.13806	3.7
361.16400	5.2
375.24213	1.2
541.35516	2.7
553.60443	1.2
559.35962	3.1
721.38123	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	721.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.1
53.03954	4.9
55.01872	2.8
55.05514	77.7
65.03945	2.3
67.05508	3.4
69.07063	2.3
69.78474	1.6
69.78889	3.4
71.05007	8.6
79.05499	12.1
81.03408	2.7
81.07063	5.8
82.65652	0.9
83.04985	100.0
84.05335	1.1
84.59106	0.7
88.60957	0.7
91.04919	1.3
91.05486	18.0
93.03475	0.9
93.07037	4.3
95.04962	5.3
95.08585	1.8
97.02905	1.0
97.06520	5.0
98.98547	0.8
99.04463	35.8
103.05467	4.6
105.03398	1.0
105.04526	1.2
105.07037	20.4
107.04971	5.8
107.08579	3.0
109.02864	1.5
109.06509	3.1
111.04465	1.0
115.05464	8.4
116.06217	2.1
117.07021	9.7
118.97430	0.8
119.04951	3.7
119.08590	8.2
121.02840	0.9
121.06494	6.8
123.04431	2.5
123.08092	0.8
128.06230	12.3
129.07007	15.1
130.07794	1.3
131.04941	3.2
131.08580	13.5
133.06497	6.1
133.10139	1.3
135.04439	3.6
135.08072	1.3
137.06010	1.7
141.06993	13.1
142.07806	7.5
143.08559	11.6
145.06483	12.4
145.10129	7.7
147.04411	3.1
147.08066	6.0
149.05952	1.7
151.07501	0.9
152.06201	4.5
153.07010	14.9
154.07779	13.8
155.08566	26.8
156.09326	3.5
157.06473	5.3
157.10185	4.9
158.07286	2.3
159.04425	3.6
159.08047	8.5
161.05968	5.7
161.09627	2.0
163.03905	1.0
163.07552	2.6
165.07027	10.5
166.07779	6.6
167.08578	9.2
168.09340	2.2
169.06532	5.5
169.10132	19.7
170.07286	1.4
171.08051	6.6
171.11740	3.8
172.08774	1.0
173.06032	5.5
173.09627	15.1
175.03929	1.5
175.07532	5.9
177.05453	2.1
177.09146	1.2
178.07768	4.2
179.08542	9.7
180.09329	1.4
181.06480	4.8
181.10143	9.2
182.07266	6.4
183.08067	11.4
183.11705	2.2
184.08788	2.0
185.06020	2.5
185.09596	9.9
187.07555	3.5
187.11198	5.1
189.05458	4.2
189.07024	1.3
189.09134	1.2
190.07779	1.1
191.07025	1.1
191.08598	3.4
191.10362	1.0
192.09341	2.6
193.06572	0.9
193.10121	4.6
194.07266	1.0
195.08043	4.5
195.11722	2.6
196.08917	1.0
197.05974	3.9
197.09636	28.9
198.10484	2.0
199.07570	3.7
199.11197	7.1
201.05492	1.6
201.09099	12.5
202.07841	2.1
203.06892	1.2
203.08618	2.4
204.09338	2.9
205.08440	0.9
205.10165	2.9
206.07277	1.0
207.08014	4.5
207.11766	2.4
208.08714	0.9
209.09662	4.6
211.07545	3.2
211.11038	1.7
213.09126	7.9
215.06906	1.2
215.08705	2.0
215.10654	10.9
216.09454	1.4
217.10185	2.1
218.11028	1.3
219.08168	1.5
219.10156	2.5
219.11757	2.7
220.08780	1.2
221.09656	3.4
222.10393	0.9
223.07532	2.3
223.11127	2.6
225.05713	1.1
225.09108	24.0
227.06789	1.1
227.10603	6.3
228.09348	1.2
229.08417	2.0
229.10373	1.9
230.10918	1.1
231.10155	2.3
232.08861	1.6
233.09624	3.1
235.07466	1.2
235.11172	3.4
235.14841	1.0
237.09108	3.0
237.12807	1.2
239.08629	1.8
239.10712	2.5
241.08356	1.9
241.10503	1.2
242.10974	1.9
243.10107	28.5
245.09700	1.6
245.11774	2.9
246.10497	1.3
247.11253	3.5
247.14796	0.9
249.09048	2.4
249.12845	1.8
251.10707	2.8
253.12288	2.2
254.10927	1.1
255.11743	1.3
256.12433	1.5
257.09506	1.2
257.13370	1.5
258.10318	1.1
259.11343	1.9
261.08844	1.5
261.10959	4.1
263.10797	2.5
265.12335	2.4
267.09851	1.3
267.11978	1.5
271.11383	1.3
271.14780	0.8
273.12811	0.9
275.10730	1.6
277.12317	2.2
279.09918	1.0
280.12427	1.2
281.11893	1.8
285.12869	1.5
287.10840	1.4
287.14252	1.7
289.12256	2.1
291.13892	1.2
293.11652	1.1
295.10968	1.2
297.12857	1.6
301.12051	1.7
303.13892	0.9
305.12378	0.9
309.12509	1.1
311.13193	1.5
313.12228	1.7
315.13705	1.8
319.13428	1.2
323.14178	1.3
327.13843	1.8
329.11676	1.5
341.11566	1.3
341.15350	1.7
343.13141	1.2
345.14954	0.9
349.15613	1.1
353.15369	1.0
353.19095	0.9
357.14902	1.2
361.14505	1.2
367.16949	2.1
369.14847	2.8
377.17725	2.2
381.18573	1.8
385.18265	1.1
395.16315	1.3
397.13971	1.8
397.18384	1.2
409.18188	5.7
411.05951	0.9
411.19354	1.0
413.17361	1.8
415.15323	2.7
421.17935	1.7
425.17471	1.5
427.19037	10.6
429.20706	1.2
431.18655	1.8
433.16437	1.0
437.17532	4.6
439.19049	3.7
443.18454	2.9
445.20169	6.4
455.18542	13.2
457.20062	2.3
461.19659	1.9
467.18341	2.3
473.19614	13.1
485.19693	4.3
491.20691	8.2
503.20770	2.6
521.21625	3.2
527.24164	2.6
561.24817	2.3
573.24738	4.1
591.25916	2.7
603.25897	3.4
621.27014	14.2
721.31451	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	719.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.7
57.68555	0.4
67.05508	1.0
70.80856	1.2
70.81203	0.5
78.26202	0.5
79.05456	0.4
81.07063	1.0
83.04984	0.9
86.09695	0.5
91.05441	0.7
95.08611	0.9
120.08032	0.6
146.06053	0.5
172.04076	0.7
181.77119	0.5
184.07365	2.2
194.08260	0.6
204.06647	0.5
207.09261	0.5
209.10664	0.8
210.11559	1.0
211.12434	0.5
223.08862	0.8
223.12418	1.3
224.13220	0.6
225.10420	0.7
225.13881	2.8
226.14780	0.6
235.12343	0.6
237.13869	1.5
238.14523	0.6
247.12617	0.6
249.13881	1.5
251.08299	1.8
277.06381	0.6
287.10562	0.6
301.12372	0.6
314.12814	0.7
327.13998	0.6
342.16241	0.6
354.16220	0.7
398.15186	0.6
399.19608	0.8
402.14984	0.6
403.15298	1.0
405.21176	0.7
412.16296	0.6
417.16855	3.4
418.17447	2.3
419.18423	0.8
431.18900	2.9
432.19504	2.1
433.20148	4.5
434.20697	0.6
445.16748	1.7
446.21237	0.7
447.21893	10.2
448.22464	0.9
459.22159	1.4
460.19052	1.6
461.19257	0.9
462.20541	0.9
474.20715	1.3
475.21313	21.6
476.22018	4.4
487.21271	0.9
489.22910	1.0
493.22220	0.5
503.20288	2.6
517.22412	0.5
519.24048	1.3
521.24915	0.8
535.23328	15.9
536.23889	0.7
547.23767	2.8
549.24976	2.2
561.25214	5.5
562.25665	4.2
563.26477	2.0
579.26062	0.8
590.25653	0.9
607.25867	1.1
621.27234	9.5
622.27869	100.0
623.28101	4.8
701.33289	0.6
719.32416	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.05507	2.5
57.03433	1.6
57.07073	2.9
60.00106	0.6
61.15314	0.7
67.05509	5.7
69.07059	2.3
69.38255	2.5
69.38681	3.2
71.08622	1.9
79.05498	4.3
81.03403	1.1
81.07053	4.6
83.08620	2.0
85.10199	1.7
89.06036	0.6
91.05495	2.5
93.07055	4.8
95.04987	1.1
95.08615	4.6
98.21546	1.2
105.07050	2.4
107.04997	1.0
107.08596	3.6
109.10186	1.3
111.04463	0.6
117.07057	1.6
118.06590	0.8
119.08609	2.0
121.10172	1.5
129.07004	0.7
131.08577	0.8
133.10153	1.7
135.11696	3.2
136.12030	1.9
143.08569	0.8
145.10173	2.7
155.08594	1.4
157.10168	0.8
163.11198	4.1
164.11501	1.2
166.07587	0.6
169.10141	1.0
171.11655	0.9
181.10242	0.7
183.11777	1.1
184.07394	1.0
194.95885	0.7
196.09909	0.8
197.13383	0.8
201.22617	0.8
204.06538	0.8
210.11571	1.2
222.11476	0.8
223.08902	1.0
223.12396	1.4
225.10469	1.0
225.13872	2.4
226.14636	1.2
227.12761	4.4
228.13208	2.0
237.13911	2.1
249.13898	1.1
251.08272	1.4
252.12616	0.7
261.79312	0.8
272.17743	0.7
273.14017	0.8
283.15442	5.2
284.15802	3.0
285.70639	0.7
309.08682	0.8
313.27414	6.1
314.27707	4.8
335.25876	1.8
339.22980	0.7
349.21939	0.8
367.22797	1.1
389.18304	1.0
390.18887	1.0
390.24747	0.6
403.15717	2.1
417.16959	3.8
418.18097	2.6
431.19086	1.6
432.19547	2.0
433.20059	4.0
436.58258	0.7
445.15939	1.4
445.21225	1.3
446.21170	1.1
447.21921	11.6
448.22549	1.3
457.48032	0.8
459.21967	1.2
461.19684	1.4
474.20520	1.3
475.21326	24.1
476.21729	5.0
489.23505	1.1
503.20697	3.3
507.23837	1.5
519.23804	1.8
521.38678	2.3
522.38745	6.9
534.25897	1.2
535.23431	16.3
536.24066	1.5
547.23639	3.0
549.25159	1.8
561.25378	5.1
562.25873	5.4
563.26617	2.9
579.26233	1.1
590.25598	1.1
607.25232	1.4
621.27112	6.7
622.27911	100.0
623.27936	4.7
701.33270	2.4
701.48322	3.2
719.34314	2.1
719.48309	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	719.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.7
53.04161	0.7
55.01866	1.4
55.05515	65.5
55.30005	0.6
65.03949	4.8
67.05505	5.3
69.03422	1.9
69.07067	1.3
70.06577	1.0
71.04984	3.0
71.51461	0.9
79.05496	7.3
81.03436	4.1
81.07066	6.6
81.92934	0.7
83.04986	100.0
83.08629	0.7
84.04554	0.5
85.06551	2.8
86.09778	0.8
91.05485	20.1
93.03416	2.4
93.07034	3.6
95.01316	0.8
95.04993	5.1
95.08630	1.8
96.85436	0.6
97.06525	0.9
99.04469	0.7
103.05470	2.3
105.03411	0.7
105.07035	8.4
107.04981	2.7
107.08612	6.7
109.02898	2.1
109.06531	3.7
109.10186	1.2
109.30235	0.6
115.05458	7.4
116.06242	3.4
116.92648	0.6
117.07018	7.4
119.04945	2.5
119.08573	4.2
121.02875	1.7
121.06512	3.0
123.04469	0.7
123.08050	0.8
128.06224	8.9
129.07022	16.8
130.07831	0.7
131.04945	3.6
131.08575	16.3
133.06500	4.9
133.10156	2.6
135.04494	1.6
135.08029	1.4
137.06039	0.6
141.06999	14.9
141.08002	1.2
142.07782	9.4
143.08589	5.4
144.05710	3.2
145.06480	5.0
145.10149	3.6
147.04419	1.6
147.08092	3.0
147.11716	1.1
149.05983	1.4
152.06293	1.5
153.06964	3.4
154.07826	2.6
155.06038	1.0
155.08568	5.1
156.09366	2.1
157.06522	5.4
157.10124	9.7
158.07291	1.4
159.04456	4.9
159.08067	43.5
159.11685	1.4
161.05963	4.7
161.09676	1.0
165.06984	3.2
166.07857	3.2
167.08650	2.7
168.09441	0.7
169.06488	3.2
169.10155	3.1
170.07259	1.8
171.08084	2.9
171.11711	2.6
173.05975	1.8
173.09698	2.1
175.07549	5.7
175.11235	2.3
179.08542	1.4
181.06598	0.7
181.10135	6.5
182.07312	1.5
183.08139	1.8
184.08904	1.6
185.06036	6.1
185.09637	7.5
187.07558	81.4
188.07964	1.1
189.09082	1.2
189.12997	0.8
195.08034	1.6
197.09634	3.2
199.07515	1.1
199.11195	8.6
201.09105	1.6
203.10667	20.1
209.09625	2.1
211.07590	1.6
213.09114	3.6
215.10760	2.5
217.08662	1.4
217.12260	4.4
225.09187	2.4
227.10672	11.4
227.12613	0.7
229.08632	2.7
230.14781	0.7
241.08635	1.9
243.10164	4.7
245.11749	29.8
257.08249	2.5
259.09723	8.0
275.09195	1.1
291.19662	0.7
341.13937	6.4
359.15082	2.4
719.36664	2.1
720.39111	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79725	0.6
53.03953	3.8
55.01878	2.3
55.05515	83.3
56.05863	3.3
65.03951	2.8
67.01872	1.6
67.05516	3.0
69.03433	2.0
69.77048	2.9
71.05006	1.1
79.05503	5.0
81.03406	1.2
81.07057	2.4
83.04985	100.0
84.05300	4.8
85.02859	0.5
91.05478	8.6
93.03422	1.2
93.07033	2.9
95.04974	4.2
95.08649	0.6
95.51267	0.6
97.02885	1.4
99.04447	2.2
103.05459	2.7
105.03396	1.2
105.04536	0.6
105.07030	8.9
107.04967	3.6
107.08604	1.6
109.06509	2.7
111.04430	0.8
115.05447	7.3
116.06287	0.9
117.07024	7.2
119.04942	2.3
119.08575	2.5
121.06504	3.3
123.04420	1.7
128.06229	13.8
129.07025	13.4
129.10214	0.8
130.07777	1.1
131.04918	2.2
131.08583	5.2
133.06525	4.3
133.10094	0.8
135.04463	4.3
135.08073	1.1
137.05945	1.3
141.06996	14.3
142.07814	10.8
143.08575	13.1
144.05754	1.1
144.09113	0.7
145.06497	12.0
145.10136	2.8
146.06871	0.6
147.04413	1.2
147.08044	2.9
149.05933	1.5
152.06201	8.9
153.04132	0.5
153.07004	10.4
154.07782	15.4
155.04865	0.7
155.05994	1.6
155.08574	7.8
156.09288	1.7
157.06522	3.0
157.10141	6.8
158.07251	1.8
159.04388	1.6
159.08047	5.3
159.11673	2.2
160.08406	0.7
161.05980	5.6
161.09677	0.8
162.06288	1.0
163.03882	1.0
163.07483	0.6
164.99927	0.7
165.05473	1.7
165.06982	7.2
166.07770	3.1
167.08569	14.6
168.05638	0.7
168.09042	1.4
169.06509	4.4
169.10141	19.8
170.07347	3.5
171.08069	8.8
171.11667	1.7
172.08691	1.9
173.05969	2.1
173.09631	5.7
174.06523	0.5
175.03973	0.9
175.07520	2.0
177.09079	0.7
178.07729	1.8
179.08536	7.8
181.06479	5.1
181.10144	2.9
182.07295	7.6
183.08040	4.0
184.08725	1.1
185.06071	1.4
185.09631	10.5
186.06531	0.6
186.10086	0.9
187.07512	2.8
187.11180	5.0
189.05412	1.4
189.09055	1.0
190.42279	0.7
193.10101	1.1
195.08069	12.8
196.08707	1.1
197.05930	1.1
197.09634	23.4
198.06772	1.4
198.09956	0.8
199.07539	3.9
199.11159	2.8
200.08214	1.0
201.05496	1.4
201.09117	5.2
203.08542	0.8
205.10155	0.7
207.08076	1.4
209.09538	0.9
210.06863	0.7
211.07559	1.2
213.09105	21.2
214.09483	2.4
215.06953	2.5
215.10681	11.0
217.08482	1.7
219.08076	0.8
223.07526	4.3
223.11006	0.7
225.09125	14.7
226.09473	0.7
227.10510	0.8
231.10086	1.4
233.09572	1.0
241.08604	55.9
242.08954	3.1
243.10172	19.3
244.10458	1.5
249.09087	1.1
253.10075	0.7
259.09659	8.1
261.11105	2.4
267.13867	0.8
278.23718	0.6
281.97940	0.6
313.14294	0.8
341.14017	3.8
343.15363	0.9
371.12524	0.6
453.17050	1.1
455.18491	0.8
471.17447	1.7
489.18701	1.3
501.18811	3.4
519.19446	1.4
601.23431	2.5
619.24408	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	718.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01868	2.6
55.05514	11.5
57.03437	10.9
57.07079	29.8
61.02931	1.0
67.05507	17.7
69.03441	1.9
69.07071	9.0
70.76099	1.9
71.04996	2.8
71.08635	21.2
73.02919	0.9
77.03910	1.4
79.05500	19.6
81.03414	2.8
81.07059	23.5
83.04986	2.8
83.08626	12.9
85.02906	1.7
85.06586	1.1
85.10173	13.3
89.06044	7.2
91.05489	4.8
93.06483	1.9
93.07052	31.9
93.07639	1.6
93.89939	1.0
95.04976	4.3
95.08612	41.9
97.02905	3.6
97.06538	2.3
97.10207	4.9
99.04447	4.1
103.07644	1.2
105.04496	1.2
105.07032	8.0
107.04974	6.7
107.08599	21.3
109.06541	1.0
109.10166	9.2
109.51534	0.9
117.07024	9.0
119.08575	7.9
121.06499	3.6
121.10157	9.3
123.11713	2.9
125.05987	2.0
131.08583	1.4
133.08624	1.6
133.10138	2.4
135.08093	1.8
135.11699	40.5
137.13200	1.0
139.07518	2.2
143.08607	1.2
144.09964	1.1
145.10133	23.8
153.12796	1.1
157.79181	0.9
163.11191	54.4
181.12282	9.6
184.07373	4.4
193.31264	0.9
209.11722	1.0
227.12793	68.1
227.95386	0.9
239.23755	2.0
248.08571	1.1
257.24939	1.5
264.76038	0.9
275.49344	1.0
283.15405	87.7
284.15668	2.2
313.27371	98.8
314.27707	3.0
367.22714	1.2
521.38403	100.0
522.38623	4.5
526.76837	1.1
622.28027	5.1
718.45563	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21059	0.9
52.24997	0.9
53.03938	3.1
53.55310	0.9
55.01875	3.4
55.05265	1.9
55.05511	20.2
57.03440	9.8
59.04995	4.3
61.02923	2.6
65.03940	4.1
67.05507	100.0
68.05848	1.1
69.03438	6.5
69.07072	15.7
69.16582	10.6
71.01357	1.0
71.04995	5.1
79.05492	25.2
81.03410	6.2
81.07059	37.9
83.04964	7.9
83.08626	11.5
85.02898	4.2
85.06543	4.1
91.05486	22.6
93.07049	25.5
95.04980	6.5
95.08607	18.7
97.02880	3.1
97.06525	7.3
97.10175	6.1
99.04463	1.4
99.08084	1.6
105.07035	19.2
107.04958	4.5
107.08595	19.3
109.02894	1.4
109.06530	3.0
109.10158	67.6
111.08076	4.0
117.07034	7.5
119.08573	16.4
121.06527	2.3
121.10142	8.2
123.04192	1.0
123.08101	2.3
123.11703	2.4
125.09666	5.2
127.03892	1.5
127.11243	1.0
128.06187	1.7
129.07007	4.1
131.08585	11.4
133.10147	10.0
135.08066	1.9
135.11694	5.2
137.09576	5.8
141.06938	1.4
143.08603	2.7
145.06450	1.3
145.10121	8.5
147.11707	5.9
149.09621	8.7
149.13280	2.9
155.08559	1.4
155.10680	3.9
157.10132	2.9
159.11694	6.3
161.05940	1.1
161.09634	1.1
161.13275	2.6
163.11223	2.2
165.12810	1.3
169.10107	1.9
171.11710	2.4
173.11786	17.4
173.13261	3.1
175.11128	1.2
177.12726	1.3
179.14241	1.3
183.11676	1.4
184.07361	1.4
185.13356	1.7
187.14848	1.5
189.11218	3.2
195.13853	1.7
197.13316	1.3
227.12787	11.9
229.14360	67.9
230.14839	1.4
239.17914	2.8
255.15877	2.7
257.19058	7.1
261.14603	1.1
269.17471	7.7
275.20047	19.3
289.29401	1.0
291.19693	1.2
293.21237	1.3
309.20535	1.8
349.23749	17.8
357.83151	1.1
383.24301	1.9
399.23840	3.6
409.25763	13.6
423.27466	40.7
463.30295	5.6
485.33014	1.3
503.33786	28.3
521.34717	3.7
567.31403	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	718.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.2
55.01881	4.5
55.05516	51.5
58.99583	6.8
68.96478	3.1
69.03442	3.2
70.02962	8.8
74.00666	3.2
76.02231	13.2
76.03996	3.8
79.05495	5.4
81.07063	3.3
83.04990	73.9
83.06110	10.3
84.04510	14.2
85.02886	4.3
85.06548	11.7
88.02233	17.5
91.05492	13.8
93.07052	6.1
95.04974	9.3
96.04520	3.6
97.01144	4.5
97.06538	2.7
99.05584	6.0
105.07056	12.5
107.06051	3.7
107.40473	2.3
109.06528	3.8
109.07664	10.2
110.06004	3.3
111.04460	12.5
115.05486	5.0
116.01703	10.6
117.07030	11.0
119.08604	6.3
120.71648	2.7
121.06509	9.9
124.07654	2.9
126.98283	2.4
128.06268	10.4
129.06953	12.1
130.05020	4.4
131.08582	5.5
133.06503	2.7
135.08046	4.3
136.03993	4.3
137.05963	7.2
138.62868	2.6
141.06990	10.8
142.07803	9.5
143.08548	26.4
145.06123	22.8
145.10152	10.5
146.02809	3.3
147.08058	5.4
153.06732	11.1
154.07819	9.3
155.08498	20.4
156.09351	6.6
157.06563	2.9
157.10138	7.2
159.08029	9.4
159.11720	3.5
161.05948	2.9
161.09583	6.1
162.02213	6.6
163.07584	3.6
165.07042	8.3
166.07733	3.3
167.08578	8.3
169.10150	28.8
171.08029	15.6
171.11714	17.3
172.08830	7.8
173.09644	7.6
174.02271	3.3
175.05859	3.0
175.11205	3.5
179.04962	3.9
179.08563	7.8
180.09344	4.7
181.06200	9.0
181.10115	11.1
182.07455	3.1
183.08017	4.5
184.08920	5.1
185.09598	8.4
186.05002	5.6
187.05566	5.6
187.07529	3.1
187.11159	8.2
189.09096	6.0
195.08015	2.9
196.08818	4.4
197.09605	39.4
199.07251	7.0
199.11206	59.3
201.07320	10.8
201.09006	4.5
203.10718	3.6
211.07307	4.9
211.11264	3.9
211.98199	3.1
213.09116	3.1
215.10703	11.6
225.09129	24.0
227.10378	16.2
229.06941	12.9
231.08340	6.1
233.05949	6.0
243.10260	26.2
247.08112	3.2
255.08466	5.4
257.11765	6.9
275.07370	9.1
275.12735	4.6
293.08441	23.7
300.10532	2.6
301.09042	4.5
318.11612	10.9
336.12604	5.0
350.14139	5.2
356.14346	3.1
403.13086	2.7
404.11517	9.9
418.16986	17.1
421.14456	19.8
436.14450	6.3
446.16547	16.1
450.19763	15.9
453.16980	15.4
468.20398	4.7
475.15201	3.1
478.18961	8.1
504.16754	14.4
505.16385	5.2
521.12213	5.9
521.19629	100.0
522.20123	4.3
547.21088	4.1
550.18341	6.4
553.22229	61.7
571.23285	3.4
575.20685	21.4
582.20874	4.9
587.20984	4.9
607.23163	25.7
625.24268	6.4
650.23792	42.4
682.26556	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01875	2.5
55.05274	2.8
55.05519	49.7
56.05042	3.6
58.99579	7.0
59.04996	4.1
61.01153	1.9
61.08176	2.1
67.05504	4.8
69.03433	5.5
70.02946	8.9
70.06595	4.4
71.39594	2.7
73.25571	2.1
74.00661	2.4
76.02241	14.6
76.04006	4.0
78.38824	1.9
79.05517	4.7
81.07066	2.3
82.06586	3.2
83.04993	76.8
83.06078	9.7
84.04504	14.5
85.01125	2.4
85.02902	3.2
85.06534	8.2
86.00659	3.3
86.99059	1.8
88.02234	16.8
91.05484	9.3
93.07042	5.5
95.04980	9.8
96.04559	2.2
96.08142	2.8
97.01115	4.5
97.02876	2.8
97.06557	1.9
99.05565	4.9
103.05515	3.1
105.07026	9.0
107.04927	4.6
107.06067	3.9
107.08581	5.6
108.04449	2.5
109.06547	2.8
109.07642	5.8
110.05991	2.3
111.04482	12.4
115.05464	4.6
116.01664	7.3
116.03490	1.9
117.07012	8.3
119.04946	2.6
119.08565	4.4
121.06511	7.6
123.08044	2.4
124.07605	6.9
127.05009	2.6
128.06218	9.9
129.06915	10.8
130.05002	3.6
130.07866	2.4
131.04970	2.1
131.08557	9.6
133.06540	3.6
135.04430	2.4
135.08080	6.1
137.06023	4.6
141.07001	7.6
142.03229	4.8
142.07758	5.4
143.08591	24.7
144.01172	4.2
145.06094	25.2
145.10141	9.1
147.02687	2.0
147.08084	10.6
149.04227	2.3
149.09723	2.0
153.06689	12.9
154.07790	12.0
155.08453	16.6
156.09317	5.3
157.06491	4.0
157.10115	8.4
158.07339	3.4
159.08046	7.1
161.04300	2.9
161.05881	2.5
161.09608	6.7
162.02155	3.2
163.05870	2.0
163.07484	3.0
165.07021	2.4
166.07796	3.1
167.08522	8.1
169.06351	2.7
169.10144	23.5
171.02469	2.3
171.08046	19.1
171.11670	16.8
172.03406	3.0
172.08867	5.7
173.09636	10.7
174.02274	2.3
175.07529	3.4
175.11195	3.9
179.04909	7.1
179.08580	9.3
181.06143	7.4
181.10144	12.8
181.74564	2.1
182.07285	4.8
183.08044	5.4
184.08885	4.5
185.04097	2.5
185.09691	9.9
186.05005	6.0
187.05542	5.9
187.07564	2.6
187.11177	7.3
189.09103	5.4
195.08052	3.3
196.08932	5.0
197.09608	31.8
198.10353	4.3
199.07314	6.5
199.11186	65.6
201.07333	13.5
201.09094	5.6
203.10744	4.1
211.07286	3.9
211.11211	5.0
213.07405	4.1
213.09216	4.4
213.12877	2.8
215.10622	12.5
217.12158	2.9
225.09125	19.2
227.10378	13.8
228.06197	2.7
229.06903	15.9
229.12292	4.5
231.08421	4.0
231.13861	5.3
233.05986	3.1
241.08728	2.9
243.10255	27.4
247.07843	3.8
257.11975	3.7
273.09229	2.6
275.07266	12.6
275.12823	6.1
289.08981	2.7
293.08365	19.5
300.10522	2.2
301.08914	3.7
318.11594	11.0
325.11069	2.9
336.12808	4.3
350.14404	2.7
356.14816	2.4
377.15204	4.1
403.13260	3.0
404.11572	10.1
418.16998	18.4
421.14120	16.1
436.14166	5.9
446.16388	16.5
447.15500	2.3
450.19449	16.4
453.17065	19.5
468.20163	5.4
475.15524	3.8
478.18848	9.2
504.16928	16.0
505.16464	6.3
507.18158	2.7
521.19586	100.0
522.19452	4.6
535.21344	4.3
536.19641	3.8
550.18225	6.7
553.14117	4.3
553.22198	62.6
554.22015	3.3
571.22888	3.3
575.20660	20.9
582.20667	6.7
587.20544	5.7
607.23309	24.0
625.24066	7.6
650.12878	2.5
650.23859	48.0
682.26453	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	717.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	1.0
67.05512	1.7
70.96778	1.9
73.47143	0.7
79.05501	1.2
81.03382	0.7
81.07041	1.4
86.73576	0.7
87.30338	0.7
91.05486	1.3
93.07048	1.3
95.08624	1.7
105.07002	0.7
107.08580	1.0
119.08605	0.7
121.10120	1.1
135.41725	0.8
159.11794	0.9
184.07359	2.5
185.21901	0.9
223.12300	1.0
224.12936	0.8
225.13655	1.3
226.14651	1.1
235.12379	1.0
237.13866	1.6
249.13805	1.4
275.15622	1.1
276.15152	1.1
290.12628	0.8
314.16373	1.0
340.17804	1.0
363.17386	0.7
376.17493	0.9
377.17798	1.4
379.19247	1.9
393.16943	1.2
403.19864	0.8
405.16846	1.6
407.18341	1.7
407.23032	1.0
408.19437	2.8
409.20300	6.7
419.18588	1.3
421.20297	2.3
422.20859	2.4
423.16788	1.0
423.21878	12.2
424.22760	1.7
435.21799	2.5
436.22601	1.5
437.24170	3.6
438.24103	2.1
446.20792	1.3
447.22067	1.5
451.20602	1.6
451.25836	1.2
453.18793	1.4
454.20267	1.2
461.23230	2.9
465.18762	1.0
466.19598	1.1
467.20731	2.5
468.21750	1.3
475.21255	1.7
479.24136	4.0
481.22543	5.4
491.20499	1.0
493.18167	3.4
494.23523	3.4
495.24652	3.4
496.24985	3.4
497.25348	2.7
499.23660	0.8
505.22427	1.2
506.20010	1.2
507.23724	2.3
508.24731	1.4
509.21512	2.7
511.23328	0.8
513.24860	1.5
519.20087	1.4
521.21881	1.3
523.23584	12.3
524.23682	2.7
525.20917	5.2
527.22083	0.8
535.23041	2.6
536.21747	0.9
538.25061	1.1
539.26874	4.5
540.23657	17.7
541.24658	4.7
551.22583	2.8
552.23291	1.6
553.24872	0.7
555.26154	1.4
565.23553	2.4
566.25043	1.5
567.26111	2.3
568.23059	1.4
569.23749	2.6
583.25745	7.9
584.26086	2.5
593.23816	1.5
595.22052	1.1
598.27930	6.5
599.28619	3.7
601.26642	1.6
611.25031	3.4
625.26300	1.6
626.26947	2.9
627.24689	1.6
642.26965	5.5
643.27893	6.6
653.26160	10.8
657.25787	1.7
658.29871	3.5
667.27051	1.2
681.43927	1.4
685.28705	100.0
686.29230	4.4
717.31366	74.6
717.44562	3.1
718.31769	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	717.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	2.0
67.05498	3.3
69.07064	2.4
69.15452	3.9
69.15868	11.5
71.08643	2.5
79.05509	2.9
81.07065	4.8
83.08605	1.7
86.09709	2.0
87.04457	1.5
89.06039	14.6
91.05486	2.8
93.07058	3.2
95.08606	3.4
96.92249	1.4
107.08583	1.8
109.10196	2.2
119.08587	2.5
121.10224	1.6
131.08643	1.7
133.08611	8.1
133.82083	1.3
177.11229	3.7
184.05974	1.3
184.07364	8.9
195.00349	1.5
210.11565	1.5
224.13225	1.6
225.13942	2.0
237.13945	3.8
238.14650	9.4
239.15474	1.9
275.15622	1.8
275.28906	1.3
276.16071	1.6
277.17093	1.4
363.16446	1.8
377.17514	2.4
379.19366	2.6
391.19211	2.5
405.21045	1.6
407.22693	2.7
409.20309	6.2
420.16840	3.2
421.20285	2.4
423.21924	4.3
424.22641	2.0
433.20047	5.4
434.16913	2.0
437.19235	3.3
449.23526	3.9
451.21747	1.8
452.21890	2.2
461.19824	4.9
461.72195	1.5
462.20206	2.0
463.21216	21.2
475.21329	4.6
476.22198	4.1
479.24506	3.8
490.23364	2.2
493.18051	1.6
495.24115	3.1
510.26459	2.3
521.25470	2.6
522.24310	12.3
535.23303	4.0
539.26147	3.2
549.25269	2.5
550.25800	8.3
551.25372	2.3
554.28149	2.1
577.24512	3.9
581.27576	17.1
585.30243	2.6
598.27924	2.7
609.27130	18.5
610.27875	1.7
611.25476	2.3
613.30157	9.5
623.27887	2.1
626.27277	7.0
641.29736	100.0
642.29675	6.0
653.25763	5.4
685.28827	27.9
686.29315	2.0
717.30945	18.8
717.44641	4.6
718.30811	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.0
55.01873	1.3
55.05515	76.1
56.05851	0.8
64.00935	0.4
65.03948	1.5
67.05515	2.8
69.03426	1.2
70.91698	0.9
70.92046	0.6
75.71442	0.4
77.03957	0.5
78.99014	0.4
79.05494	4.3
81.03406	0.9
81.07063	1.1
82.87103	0.4
83.04985	100.0
84.05315	0.8
91.05486	7.7
93.07053	1.7
93.10973	0.4
95.04964	4.6
97.02888	3.0
103.05471	1.6
105.03423	0.7
105.04493	0.5
105.07027	4.7
107.04957	2.9
107.08619	2.1
109.02898	1.2
109.06525	1.4
109.11379	0.4
111.04470	0.8
115.05457	5.4
116.06223	0.5
117.07022	4.3
119.04932	2.0
119.08586	1.5
121.02819	0.6
121.06500	3.0
123.04413	1.8
128.06224	8.7
129.07024	7.6
131.04968	2.0
131.08566	3.2
133.06519	2.7
135.04413	2.0
135.08028	1.2
137.05951	0.7
141.07001	6.7
142.07799	6.3
143.08583	6.1
144.05696	0.6
145.06502	6.1
145.10136	1.4
146.07266	0.5
147.04390	0.8
147.08060	1.9
149.02498	0.4
149.06018	2.1
152.06207	4.9
153.06992	4.5
154.07773	5.0
155.06042	0.5
155.08560	3.7
156.09276	0.6
156.41379	0.4
157.06544	2.8
157.10138	3.2
158.07320	0.8
159.04407	1.1
159.06923	0.5
159.08051	3.4
159.11705	0.5
161.05984	7.4
161.09583	0.8
163.03935	0.9
163.07535	0.5
165.05574	1.0
165.06975	3.8
166.07727	1.5
167.07269	0.7
167.08578	7.7
168.09167	0.4
169.06490	2.7
169.10135	5.4
170.07253	1.4
170.30087	0.4
171.08061	6.7
172.08829	0.9
173.06004	2.7
173.09625	2.6
175.07491	1.6
177.05452	1.0
178.07735	1.9
179.08536	2.7
181.06459	1.5
181.10095	1.4
182.07314	2.7
183.08052	2.5
184.08858	0.6
185.05974	1.2
185.09630	7.4
187.07568	2.1
187.11221	2.0
189.05466	0.6
189.09073	1.1
190.07732	1.1
190.42737	0.4
191.07045	1.0
191.08589	0.8
193.10068	1.0
194.07230	0.5
195.08070	6.1
196.08829	0.9
197.05948	0.8
197.09631	7.0
198.06812	0.9
199.07594	2.8
199.11214	0.8
200.08281	0.7
201.05486	0.5
201.09067	1.7
202.07751	0.6
203.08601	0.7
205.10130	1.0
207.08015	0.8
208.08876	0.5
209.09605	1.9
211.07559	1.0
212.08400	0.5
213.09105	10.6
215.06935	1.2
215.08723	0.8
215.10654	5.0
217.08553	1.4
220.08807	0.5
221.09532	1.2
222.10245	0.5
223.07556	3.0
223.11113	1.0
225.09108	3.3
227.06862	0.6
229.08485	0.7
231.10075	0.9
231.76784	0.4
233.09610	1.0
234.10330	0.5
235.11057	0.9
237.09247	0.7
239.06870	0.6
239.10655	0.6
241.08592	12.3
243.10159	9.2
245.07883	0.4
245.56853	0.5
247.11209	0.6
249.09053	1.0
251.06879	0.6
251.10634	0.6
256.08508	0.5
258.10345	0.7
259.09589	5.0
263.10620	0.6
267.09885	0.5
281.07947	1.5
287.10526	0.7
313.11880	0.5
315.10068	0.5
323.09158	0.6
331.13022	0.4
341.13821	2.2
343.15549	3.2
365.15149	0.6
377.13626	1.8
389.15463	0.6
399.33267	0.4
411.15915	0.6
419.14758	0.6
425.17365	1.1
435.15839	0.5
453.16656	1.2
471.17566	0.8
481.15961	0.7
487.17136	0.7
489.18924	0.5
499.17038	1.6
517.18707	2.3
587.22052	1.1
599.22083	1.8
617.23969	3.3
717.27863	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58750	0.4
53.03946	0.9
55.05271	0.7
55.05518	8.8
56.05052	3.6
56.05280	0.7
57.07086	4.2
58.06589	0.5
58.68577	0.5
60.04531	18.4
65.03951	0.8
67.05513	15.7
69.07076	12.1
70.06580	2.2
71.08641	2.9
71.21220	1.0
74.06057	0.6
79.05503	13.4
81.07069	15.4
82.06573	1.3
83.04965	0.6
83.08630	7.3
84.08167	0.9
85.10229	1.2
86.06049	1.0
91.05493	2.3
93.07050	13.3
95.04964	0.7
95.08618	11.6
96.08128	2.3
97.06546	1.1
97.10168	5.3
100.07626	1.2
100.09772	0.5
105.04472	0.5
107.08598	6.9
109.10152	5.1
111.11715	1.6
112.88250	0.6
113.20853	0.4
114.09167	0.7
119.08480	0.5
121.10159	8.7
122.99054	0.4
123.11714	1.6
135.11697	5.7
142.01927	0.5
148.35841	0.6
149.13278	1.9
151.14828	0.7
163.14740	0.8
247.24225	3.1
252.26942	0.6
254.24890	0.9
264.26898	10.0
266.24820	0.6
272.25891	6.6
282.27948	14.1
293.43945	0.6
300.29080	1.5
314.27231	0.5
451.45270	0.5
488.48441	1.0
518.49292	5.5
536.50439	100.0
537.50848	4.2
554.51489	22.4
555.52155	1.0
573.48706	0.7
590.64667	0.5
632.66083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01872	0.5
55.05521	1.8
57.03434	1.7
57.07074	0.4
58.34426	0.3
61.02655	0.4
61.02933	5.1
65.03949	0.5
67.05513	6.0
69.03434	2.9
69.07063	1.7
69.36708	2.5
71.04979	0.7
73.02924	3.6
79.05495	3.8
81.03426	1.9
81.07063	4.3
83.04971	0.3
83.08627	0.6
85.02911	5.4
86.09747	0.3
91.03963	2.8
91.05489	7.0
93.07050	4.7
95.04974	0.9
95.08617	3.5
97.02900	3.7
99.04460	0.8
101.02377	1.4
105.07037	3.5
107.08608	1.8
108.08877	0.3
109.02908	0.7
109.06506	0.3
109.10159	1.5
111.08006	0.3
115.03988	0.3
117.07019	1.2
118.44906	0.3
119.08581	1.8
121.10150	1.7
123.11691	0.3
127.03945	1.4
127.11182	0.4
131.08569	1.0
133.10150	5.7
135.11711	0.7
143.08603	0.8
145.10144	0.7
159.11736	0.5
161.09647	1.1
164.17021	0.3
173.13336	0.4
184.07375	0.8
185.04210	0.5
195.00354	1.2
219.09929	4.3
219.11949	0.4
243.08469	2.2
249.58328	0.3
303.07004	0.8
335.25897	0.5
338.43219	0.3
406.06955	0.4
437.17853	2.7
455.37585	0.5
499.41107	0.4
519.29230	9.9
520.29822	0.5
543.36615	3.1
553.35016	0.4
715.40265	100.0
716.40607	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	716.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.05516	11.4
55.81369	0.5
56.05043	3.6
57.07083	5.8
58.17816	0.6
60.04533	22.3
60.32821	0.5
65.03927	0.9
67.05511	18.8
69.03422	0.6
69.07074	13.2
69.37293	0.5
69.61512	0.6
70.06580	2.5
71.04990	0.6
71.08637	2.3
71.41631	0.9
72.08138	0.7
79.05501	16.2
81.07061	17.4
81.07536	1.0
82.06581	1.3
83.04989	0.8
83.08622	8.9
84.08182	0.8
85.10206	0.9
86.06091	1.1
91.05477	2.6
92.86248	0.5
93.07049	13.8
95.05003	0.8
95.08614	15.7
96.08100	2.7
97.06525	1.3
97.10170	4.8
100.07626	1.4
105.04521	0.6
105.07080	0.5
107.08588	8.3
109.10168	7.0
110.09692	0.7
111.11772	1.5
114.09173	0.8
121.10158	11.9
123.11698	1.8
124.11286	0.5
125.13248	0.5
135.11694	7.3
137.38835	0.5
149.13275	1.6
151.14793	0.8
156.17520	0.8
247.24266	3.2
252.26964	0.8
254.24820	0.9
264.26886	10.7
266.24789	1.1
272.25867	6.6
282.27933	15.0
288.56812	0.5
300.29062	1.8
314.27069	0.7
325.97583	0.5
330.42395	0.5
488.48114	0.7
518.49445	5.3
522.63306	0.5
536.50439	100.0
537.50885	4.1
554.51538	23.4
555.51831	0.7
623.31714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	29.4
57.03429	23.4
57.07072	5.2
67.05511	77.7
68.24142	5.0
69.07066	22.4
71.04978	7.9
71.07385	7.0
71.52241	8.0
79.05510	54.8
81.07064	100.0
83.04978	5.6
83.08619	15.6
84.80393	5.3
86.09709	20.5
91.05479	45.3
93.07050	54.1
95.04951	7.9
95.08616	64.6
97.06520	8.2
97.10217	7.1
98.73618	5.0
105.07043	55.3
107.08606	37.0
109.10166	37.0
111.08096	7.3
117.07047	13.6
119.08588	39.3
121.10148	38.6
123.08103	6.9
123.11730	10.2
124.99990	13.0
125.41961	4.9
129.06989	6.0
131.08560	16.6
133.10144	22.6
135.11684	11.4
137.09668	5.5
143.08540	10.3
145.10133	19.6
147.11696	25.1
149.13290	12.3
156.96030	5.5
157.10112	8.5
159.11703	21.1
161.13239	10.2
163.11234	4.8
163.14708	7.3
165.12747	13.1
171.11646	6.8
173.13249	12.7
173.40323	6.1
175.14822	9.5
183.11710	6.8
184.07350	85.1
185.13229	9.7
229.14345	19.2
239.16415	20.2
241.17931	6.8
259.20410	7.4
261.22168	13.0
335.25781	58.1
407.33328	9.1
425.34256	14.6
489.35764	17.4
499.37888	26.3
517.38910	77.6
573.48584	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	713.5351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	17.9
55.05515	63.4
57.07078	25.8
61.39323	10.0
62.19061	9.5
65.03934	20.3
67.05515	100.0
69.07069	50.2
69.44997	80.6
71.04995	9.2
71.08617	18.0
79.05491	64.3
81.07050	99.7
82.46013	9.0
82.56599	9.4
83.04983	10.3
83.08624	37.6
85.02881	14.2
88.14834	8.9
91.05496	87.6
93.07053	89.2
95.04994	51.9
95.08611	44.3
97.10159	23.2
105.07030	91.0
107.08598	38.3
109.10160	41.2
111.04436	16.6
111.37042	9.4
113.00031	13.9
115.25314	9.6
117.07027	27.5
119.04949	10.9
119.08604	56.7
121.06545	13.8
121.10151	22.6
121.30299	10.6
128.06248	17.4
129.06976	24.8
131.08553	53.4
133.10187	49.0
135.08046	24.0
135.11722	14.5
139.03922	96.1
141.06975	13.4
143.08556	31.8
145.10168	48.8
147.11723	21.7
153.05486	12.1
155.08559	19.6
157.10133	24.3
159.08147	14.7
159.11702	30.8
161.09627	10.3
167.08598	11.8
169.10110	16.9
171.08163	11.1
171.11673	15.5
173.09641	28.1
173.13298	14.3
177.05562	14.6
183.11646	17.8
185.13243	15.4
197.13220	19.7
199.14882	19.5
225.16411	12.9
253.19533	11.2
256.63776	10.3
283.20657	12.6
289.17969	32.8
291.19504	18.3
328.08795	11.0
342.14377	12.7
370.84674	10.6
458.04251	11.8
522.48853	11.3
525.38995	14.1
537.39789	24.9
539.40619	13.5
553.41705	12.3
601.44714	96.2
619.47052	25.5
641.47345	11.1
659.50104	43.5
677.51465	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.3
57.03437	1.9
61.02935	7.1
61.78088	1.5
65.06785	1.2
66.81007	1.3
67.05503	10.4
67.95988	1.1
69.03417	3.8
69.07061	4.1
69.55818	2.4
69.56230	6.2
71.04997	22.5
78.94482	1.3
79.05487	4.1
81.07044	7.3
81.74843	1.3
83.08620	4.2
85.02884	5.5
91.03960	2.4
91.05479	4.3
93.07025	4.9
93.35070	1.3
95.08601	4.5
97.02879	3.4
97.06512	1.4
97.10172	3.2
105.07023	2.7
107.08582	4.9
109.10167	14.0
117.06990	1.3
119.08590	3.2
121.06514	3.1
121.10137	2.6
122.91883	1.3
125.09627	2.4
127.11198	48.8
131.08591	2.4
133.10139	2.0
137.05949	3.9
145.06564	2.3
145.10114	4.5
147.08022	6.3
147.11728	2.0
149.06006	1.4
149.09648	1.8
155.08501	1.4
157.10114	1.5
159.08057	3.8
159.11604	1.3
161.05988	12.1
161.09598	1.9
163.07516	2.8
169.10213	1.5
171.08037	2.8
173.09625	19.6
175.07588	8.4
175.11046	1.6
185.09625	10.2
187.07547	13.5
187.11156	5.5
189.09143	10.5
191.10583	1.5
195.11551	1.7
197.09552	1.5
199.07579	4.3
199.11098	2.3
201.09073	12.9
202.09592	1.4
203.10704	2.2
211.11275	4.0
213.09143	19.2
213.12752	2.2
215.10635	4.9
217.08615	1.2
225.09059	2.7
227.10655	7.5
227.14349	1.6
229.12267	2.9
239.10835	2.1
255.13818	3.1
269.15378	4.7
271.17160	6.5
273.14749	3.1
281.15494	1.8
287.16431	10.1
297.18469	7.5
299.16437	7.1
301.17868	2.5
307.17023	1.6
311.16711	1.5
311.20032	5.4
313.17920	3.2
315.19318	2.0
317.17517	13.3
325.18039	24.7
327.19623	4.2
329.17606	2.0
337.17874	1.6
339.19562	20.0
343.19058	26.2
352.20093	2.0
353.24994	2.5
357.20517	3.7
369.20538	1.7
381.24268	48.9
387.21588	1.5
397.27533	2.0
399.25345	100.0
400.25549	4.1
407.25754	4.6
417.22580	5.5
425.26917	27.4
427.28513	2.3
443.23550	1.5
455.27905	9.2
473.29025	90.2
474.00482	1.4
474.29553	2.9
499.30576	49.0
500.31158	1.6
517.31592	42.9
568.50067	1.4
679.26050	1.8
714.33710	4.1
715.35419	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	713.535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94971	4.2
53.03939	11.4
55.01858	10.8
55.05512	52.8
57.03440	4.5
57.07077	32.7
60.08165	7.7
61.00552	5.2
64.82088	5.1
65.03930	8.4
67.05511	80.0
68.99802	5.9
69.03417	16.0
69.07077	68.6
71.04980	11.9
71.08631	14.9
71.50991	6.2
79.05501	64.0
80.05784	4.1
81.07061	94.2
83.04969	13.8
83.08620	35.9
83.35282	4.8
85.10201	9.1
87.20667	4.5
89.06016	4.9
91.05474	74.2
92.98712	5.3
93.07047	85.2
95.04977	14.6
95.08613	60.9
97.06531	20.6
97.10155	20.0
103.05479	4.8
105.07038	100.0
107.04948	8.3
107.08599	62.1
109.06519	15.3
109.10165	52.1
111.00770	5.5
111.04438	7.1
111.08060	7.4
115.05465	9.0
117.07005	33.2
118.04087	4.3
119.08577	46.5
121.06531	23.2
121.10155	36.0
123.08061	7.3
123.11738	9.4
125.02349	9.4
125.06010	10.9
128.06232	18.9
129.06984	26.3
130.07790	8.4
130.47336	4.8
131.08572	60.9
133.10149	45.4
135.08040	16.6
135.11696	19.4
137.06017	8.1
137.09592	13.4
139.03860	11.6
141.05424	6.7
141.07011	13.2
142.07771	12.4
143.08575	29.1
145.06519	12.4
145.10130	64.5
147.11688	28.4
149.09607	7.6
149.13263	13.6
151.11229	7.4
153.05437	9.7
153.06999	6.1
153.09145	5.8
154.07791	6.9
155.08557	29.1
157.10129	31.3
159.08032	8.0
159.11693	33.0
161.09583	11.8
161.13271	9.5
167.07167	7.0
167.08600	10.3
167.10509	6.5
169.10143	16.0
171.08105	5.0
171.11688	20.8
173.09592	54.7
173.10840	5.8
173.13292	22.5
175.11104	6.6
177.05519	6.6
179.08641	5.3
179.14316	5.5
181.10173	8.9
182.11055	6.9
183.11705	14.8
184.07336	11.0
185.09639	10.1
185.13220	20.9
187.11246	9.9
187.14804	10.6
191.14264	6.0
195.11713	8.6
197.09555	6.4
197.13287	18.1
199.11153	8.1
199.14888	26.5
209.13361	8.3
211.14842	5.6
213.16527	5.7
215.14400	5.4
221.32675	4.5
225.16328	14.6
227.10471	6.1
229.62787	4.9
239.14206	5.5
239.17953	6.2
241.19568	5.9
245.19086	4.9
251.16425	8.0
253.19511	15.9
265.19733	8.6
271.20493	5.7
283.20551	13.7
291.19507	8.5
304.19434	5.4
307.20349	5.9
325.21759	5.9
336.26459	5.2
337.91553	5.9
377.30472	13.2
379.67319	5.4
389.30521	41.5
414.10095	5.1
445.32959	6.7
455.34769	10.7
467.35294	7.6
469.36697	13.1
495.38528	8.8
507.38324	41.4
509.39856	7.2
519.38263	16.5
521.39691	17.6
533.39508	8.0
535.41150	12.7
537.39209	9.1
549.39075	11.8
561.42755	13.9
573.42377	7.9
589.45837	9.2
601.46143	48.3
619.46625	6.5
629.48645	7.1
641.49365	51.2
659.50317	56.9
677.51233	12.5
695.51215	6.7
713.46655	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	713.5351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.2
53.78999	5.6
55.01863	14.9
55.05511	38.3
57.07073	11.5
64.58250	6.1
65.03940	15.4
67.05511	89.8
68.92149	5.5
69.03445	7.8
69.07086	45.5
71.02368	6.9
71.50780	7.5
72.22269	6.2
79.05482	49.0
79.75512	5.7
81.03378	7.1
81.07061	97.6
83.04961	7.2
83.08629	31.8
85.02891	10.0
85.10172	8.7
91.05488	60.2
93.07041	73.8
95.04980	63.9
95.08616	47.6
97.06561	9.3
97.10150	9.2
105.07029	93.7
107.04969	13.9
107.08598	45.4
109.06551	15.0
109.10184	45.7
111.00803	7.1
111.04425	10.4
111.08115	5.7
111.11760	7.8
113.00057	8.0
115.00271	6.0
117.07053	30.1
119.08592	54.6
121.02872	11.6
121.06515	12.5
121.10136	24.8
123.08047	8.2
123.11730	11.5
127.03899	6.2
128.06194	7.8
129.07025	19.1
130.07782	9.3
131.08575	40.3
133.06512	8.2
133.10155	40.9
135.04485	6.4
135.08067	19.1
135.11658	15.6
137.09630	11.1
139.03926	100.0
141.07028	12.2
142.07764	10.4
143.08600	35.5
145.10133	47.2
147.08145	11.0
147.11693	18.1
149.13243	6.8
150.36229	6.7
151.03859	11.7
151.11226	7.2
153.05499	11.5
153.06946	7.3
155.08617	24.1
157.06540	6.6
157.10138	22.5
159.07991	15.1
159.11713	27.7
161.09612	12.8
161.13283	8.8
167.08617	9.2
169.10135	13.5
171.11684	18.6
173.09604	31.7
173.13287	21.5
177.05486	17.6
181.10150	9.9
183.11693	20.0
185.09618	8.4
185.13269	11.1
187.07518	6.2
187.11217	7.9
187.14844	8.3
195.11655	7.5
197.13242	11.5
199.11200	10.2
199.14871	14.1
201.09143	6.4
204.61191	6.2
207.23474	5.7
213.12856	5.8
213.16396	8.6
225.16406	13.7
253.19505	9.6
265.19669	11.7
267.17407	7.2
269.11761	9.5
282.07098	7.4
283.20554	12.2
289.18073	13.2
291.19550	17.8
307.20322	7.9
335.36356	7.4
371.28687	7.7
377.30646	11.4
507.37976	10.5
525.39417	12.8
527.41211	9.6
537.39386	9.1
539.41443	10.3
551.40735	9.1
559.17932	7.2
579.44025	8.3
591.43958	8.4
601.44678	58.2
619.47430	30.1
647.49915	10.0
659.50659	42.2
677.51013	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	713.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.9
55.01880	6.1
55.05520	26.0
57.03437	8.2
62.72222	4.1
65.03936	4.4
65.56441	3.7
67.05183	6.0
67.05512	80.3
69.03436	26.8
69.07073	29.6
71.04978	6.0
71.51131	8.1
73.63103	3.6
79.05074	6.4
79.05498	85.5
81.03416	22.5
81.07059	67.2
83.04957	11.1
83.08601	12.5
83.78187	4.1
86.09718	11.5
91.05486	100.0
93.07050	66.8
95.04976	18.4
95.08613	52.1
97.02921	9.1
97.06543	7.8
97.10168	9.1
105.07038	53.5
107.04960	10.1
107.08585	33.2
109.02885	10.2
109.06512	8.1
109.10126	18.1
111.04407	7.5
117.07030	44.0
119.08591	38.4
121.06461	4.2
121.10146	29.2
123.08044	7.4
124.99986	8.8
126.62163	3.8
127.03968	5.8
127.25903	3.8
128.06229	9.1
129.07014	16.4
131.08589	40.0
133.06511	5.0
133.10173	26.0
135.08058	6.3
135.11711	19.9
139.11143	4.5
143.08521	15.8
145.10118	21.4
147.08064	11.0
147.11684	12.5
149.13234	4.7
155.08575	12.3
157.10176	12.9
159.07979	4.5
159.11601	9.5
161.09573	7.6
161.13260	10.2
169.10164	4.0
171.11655	8.4
173.13274	8.5
175.11284	3.8
183.11610	4.5
184.07393	29.7
185.07774	4.3
185.09579	5.1
187.14870	7.4
199.14865	10.0
215.82225	5.2
235.16980	10.4
237.16374	3.8
261.22028	5.5
289.14120	4.3
301.21628	8.4
309.20444	10.5
335.25772	8.5
351.23175	5.6
369.24066	9.6
461.28619	4.9
541.34973	16.8
659.43805	5.9
695.45044	6.8
713.46423	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	709.467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	2.8
58.06593	0.3
60.04526	0.2
62.06087	0.3
65.66581	0.1
67.05514	0.2
69.03421	0.1
70.06599	6.2
71.05566	0.2
71.08637	2.2
72.08153	0.2
74.06073	0.2
76.16937	0.1
87.45194	0.1
88.07639	9.3
91.05478	0.1
93.07065	0.1
97.02862	0.1
102.09187	2.8
105.07005	0.1
106.08680	5.1
107.04951	0.2
137.05977	0.3
156.17480	0.3
167.07071	0.2
174.18585	0.7
200.20113	4.9
218.21167	100.0
219.21518	1.4
341.75037	0.1
344.46817	0.1
380.00992	0.1
443.31857	0.2
461.33038	0.3
468.35245	0.1
565.83398	0.1
635.94067	0.1
652.83282	0.1
709.38239	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	710.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
53.93546	0.8
55.01851	1.2
55.05512	12.3
57.03194	1.1
57.03442	11.3
57.07070	1.9
61.02931	1.3
65.03934	3.1
67.05509	62.1
68.05830	0.9
68.93508	0.8
69.03437	1.5
69.07075	10.9
71.04980	2.6
79.05497	30.3
81.03402	1.3
81.07059	43.0
82.07417	1.1
83.04967	2.9
83.08630	4.9
85.02907	1.2
85.06528	1.7
91.05486	97.1
92.05812	1.2
93.07050	33.0
95.04984	5.3
95.08612	31.8
97.02909	1.4
97.06522	2.1
97.10162	1.9
98.21626	1.6
105.04521	0.9
105.07038	41.6
107.05000	1.1
107.08597	19.8
109.06521	2.1
109.10168	12.8
111.04436	1.5
111.08068	1.1
115.05457	1.6
117.07024	6.1
119.08561	9.2
121.10154	13.0
123.08112	1.1
123.11706	4.3
125.09644	1.0
127.03998	0.9
128.06213	4.1
129.06998	1.0
131.08583	8.5
133.10136	100.0
134.10497	2.1
135.11699	8.2
137.09573	1.4
137.13257	1.0
143.08574	6.2
145.10144	3.5
147.11699	3.5
147.82617	0.9
148.06363	1.0
149.09566	1.0
149.13264	4.4
151.11209	4.4
159.11684	2.9
161.09647	16.1
161.13243	2.7
163.11200	1.8
163.14777	1.2
163.23381	1.0
173.13249	2.2
179.10641	1.8
187.14824	1.2
193.69211	0.9
197.11751	2.9
227.12827	1.2
243.21127	3.5
251.12755	1.4
253.14369	57.7
261.22159	6.4
273.16269	0.9
283.15344	1.1
298.45093	0.9
317.24619	2.2
335.25815	98.8
336.26105	3.0
495.35028	1.0
505.94104	0.9
513.35797	75.2
514.36017	2.8
540.75183	1.0
569.65686	0.9
678.06165	0.9
710.41296	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.5
55.01875	7.7
55.05269	1.7
55.05515	20.8
57.03440	14.1
57.07072	4.1
61.02916	3.3
64.07981	1.2
65.03931	3.6
65.99743	1.8
67.05511	72.5
68.05846	2.0
69.03439	2.8
69.07078	17.1
71.01348	1.8
71.04987	5.8
71.08643	1.8
71.51085	3.3
77.03914	2.1
79.05496	52.1
80.05825	3.2
81.03410	4.8
81.07066	53.8
82.07443	1.5
83.04983	20.4
83.08631	8.0
85.02911	3.7
85.06535	5.2
91.05491	36.5
92.05818	2.4
93.07053	67.4
93.07645	3.4
95.04967	5.7
95.08616	41.8
97.06544	8.9
97.10192	7.4
99.04517	1.7
105.04559	2.6
105.07031	16.7
106.07419	2.0
107.04934	1.9
107.08605	43.1
108.08952	2.0
109.06553	1.7
109.10180	17.9
111.08065	4.1
117.07048	9.0
119.08578	14.0
121.06553	1.5
121.10149	20.2
123.11706	4.1
125.09654	3.4
128.17148	1.7
129.07002	3.9
131.08601	7.6
133.10143	15.7
134.10460	4.3
135.08098	2.5
135.10695	3.4
135.11699	44.5
135.12724	2.4
137.09575	1.5
137.13304	1.7
143.08569	2.8
145.10146	12.4
147.11682	4.2
149.13258	5.3
153.12747	11.8
159.11717	2.8
161.13249	2.6
162.09967	2.0
163.11221	7.0
163.14809	2.7
168.15662	1.5
171.11664	1.7
173.13263	2.9
181.12236	14.5
184.07336	5.4
187.14870	1.7
188.88437	1.5
201.16475	1.8
227.12910	1.9
243.21121	3.0
253.14339	5.1
254.14766	3.0
255.15942	78.8
261.22168	11.3
317.24997	2.6
335.25827	83.1
336.26151	6.0
337.26364	2.7
423.32538	2.8
515.37341	100.0
516.37579	6.1
533.38281	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.44
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.7
55.01864	9.2
55.05272	2.9
55.05516	38.2
57.03433	13.2
57.07064	4.6
60.25438	2.1
61.02916	2.5
65.03940	6.6
67.05508	95.1
69.03439	19.4
69.07074	27.3
71.04984	9.1
71.52193	3.5
72.51350	2.1
73.02921	2.5
77.69463	2.1
79.05497	84.8
81.03426	73.3
81.07063	100.0
83.04987	33.4
83.08624	21.5
85.02910	13.9
85.06549	6.4
86.09696	6.4
87.04435	3.5
89.03968	2.1
91.05486	88.4
91.89260	2.6
92.05785	2.6
93.07051	84.0
95.04981	32.4
95.08617	58.7
97.02905	15.4
97.06565	11.4
97.10144	8.1
99.04476	5.0
103.05471	3.5
103.97775	2.1
105.03400	2.8
105.04551	4.6
105.07035	57.3
107.04948	12.6
107.08598	42.2
108.08917	2.3
109.02866	5.2
109.06522	9.7
109.10172	23.7
110.10493	3.0
111.04436	12.3
111.08088	11.1
113.06014	2.0
115.05456	6.7
117.03416	4.8
117.07024	21.7
119.08591	48.2
121.06503	4.1
121.10149	40.7
123.04431	7.0
123.08077	7.4
123.11700	8.0
125.00031	5.2
127.03924	8.7
128.06226	6.4
129.05478	9.2
129.07008	19.6
131.08582	37.7
133.02808	2.1
133.06485	7.0
133.10147	32.9
135.04437	8.9
135.08052	4.0
135.11682	16.5
137.05978	3.4
137.09613	4.2
141.07007	5.2
142.07776	6.9
143.08557	9.8
145.02815	3.6
145.06508	3.8
145.10133	25.2
147.04414	4.6
147.08002	5.3
147.11693	37.3
149.05983	4.9
149.09619	14.5
149.13260	12.6
151.11217	2.9
153.07053	5.3
153.12753	3.7
155.08551	9.5
155.30157	2.2
156.09323	2.4
157.06531	6.2
157.10133	20.7
159.04396	6.9
159.08130	3.1
159.11722	14.3
161.02342	6.6
161.05925	5.2
161.09648	3.5
161.13272	8.4
163.03917	48.2
163.11182	12.2
163.14790	4.7
165.05521	6.0
165.12755	5.7
166.07753	2.6
167.08577	5.9
169.06491	2.5
169.10074	5.7
171.11670	8.2
173.02371	9.9
173.05969	5.8
173.09637	3.3
173.13268	8.2
175.03944	3.0
175.07501	3.6
175.11183	12.7
175.14804	4.4
176.11949	4.5
177.12740	4.2
181.06488	5.9
181.10170	11.4
181.12186	8.4
183.08006	3.0
183.11714	5.4
184.07350	18.0
184.08856	2.8
185.06030	4.8
185.07607	2.4
185.13280	6.1
187.03922	11.3
187.07556	4.4
187.14853	5.3
189.09149	3.9
189.12711	2.6
191.10645	7.0
193.12247	27.2
197.13338	3.8
199.03917	8.7
199.11206	6.3
199.14839	3.4
201.05431	3.6
201.09074	3.7
209.09589	5.0
209.13440	2.3
211.07579	5.3
211.11337	4.0
211.13269	36.9
211.15033	3.8
213.05428	15.0
213.09229	3.9
215.06949	3.9
217.04797	2.8
217.08540	3.6
223.07562	3.1
225.05424	5.3
225.09109	3.1
227.07001	4.3
227.10657	11.3
227.12852	6.5
229.14365	3.5
243.21008	4.3
245.11726	4.3
259.20575	6.4
261.22168	14.7
267.13654	5.5
267.15936	8.5
277.21808	3.1
283.15652	3.5
285.17017	9.7
311.12799	6.8
315.65207	3.0
317.24512	3.8
335.25830	35.9
337.14334	19.7
337.27365	6.3
339.23126	2.2
343.26370	2.4
353.16086	2.6
355.14987	13.1
369.24359	4.3
411.18054	4.7
429.19046	35.4
527.37476	16.5
535.36505	4.0
545.38306	35.3
597.34973	3.3
615.36798	9.8
633.37622	8.2
653.39966	4.0
661.40674	6.0
671.39709	9.4
679.41882	8.1
689.41248	32.2
690.89880	2.3
707.41766	60.8
708.40833	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	707.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.8
53.03946	9.5
55.01873	6.5
55.05238	1.6
55.05510	29.9
55.35203	1.2
55.96704	1.3
57.03432	8.6
57.07074	4.0
65.03941	5.6
67.05505	74.6
69.03426	2.8
69.07071	19.8
69.23529	4.0
69.23956	10.0
69.82397	1.3
71.04991	5.0
74.95255	1.4
77.03931	1.6
78.35873	1.4
79.05492	90.3
81.02930	2.1
81.03419	58.3
81.07055	78.1
82.07382	1.9
83.04976	8.8
83.08614	16.4
83.84217	1.4
85.06534	3.7
86.09715	2.3
89.03928	2.2
91.05481	64.4
93.07043	76.9
95.04980	20.8
95.08604	43.3
97.06531	6.1
97.10169	8.7
98.21581	2.7
103.05484	5.7
105.04530	5.2
105.07035	52.9
107.04957	6.6
107.08598	36.3
109.06531	6.0
109.10147	20.7
111.08095	5.4
115.05471	5.4
117.03382	4.7
117.07001	16.0
119.04923	1.8
119.08578	33.2
121.06532	5.3
121.10140	44.8
123.04415	10.6
123.08087	4.8
123.11726	6.2
124.99957	1.5
125.09650	2.9
128.06236	2.0
129.07016	12.8
131.04863	6.5
131.08568	28.5
132.09297	1.7
133.02872	4.0
133.06526	4.7
133.10129	25.1
135.04416	5.4
135.08034	2.1
135.11697	16.7
137.05978	2.1
137.09621	4.4
141.07018	4.3
142.07826	3.5
143.04866	1.6
143.08571	4.8
145.02876	4.4
145.06511	4.6
145.10118	13.4
147.04411	8.9
147.08061	4.4
147.11696	23.8
149.06032	7.7
149.09610	18.9
149.13258	7.8
151.11206	3.5
153.07057	2.9
155.08577	4.0
157.06458	7.9
157.10091	10.6
159.04428	17.0
159.08008	1.9
159.11713	10.2
161.02313	10.1
161.05980	7.9
161.09666	2.1
161.13268	7.1
163.03903	43.0
163.11186	1.5
163.14851	3.1
165.05499	8.7
165.07016	3.6
165.12794	4.4
167.08600	3.3
169.06519	4.3
169.10127	2.6
171.04463	3.6
171.08099	4.1
171.11711	2.6
173.02332	28.1
173.05965	14.9
173.09631	1.7
173.13266	6.3
175.03967	6.4
175.07582	4.1
175.11220	7.5
175.14880	3.4
177.05420	2.0
179.08553	3.0
181.06525	4.5
181.10048	1.5
183.08115	5.9
183.11745	2.7
184.07355	3.7
185.06004	10.4
185.07469	1.6
185.09576	2.5
185.13327	3.0
187.03909	27.0
187.07529	7.4
187.11285	2.0
187.14700	1.7
189.05458	7.9
189.12767	1.6
193.10509	2.1
193.12251	13.6
195.07999	6.8
195.13893	4.2
197.06010	4.0
197.09645	3.3
199.03912	16.2
199.07535	6.4
199.11249	2.4
199.14844	1.4
201.05472	13.8
201.09131	3.0
203.03493	2.8
203.07043	2.6
205.04971	2.4
207.08047	2.7
208.08916	1.7
209.09624	3.0
211.07446	6.7
211.11395	2.6
211.13361	5.0
213.05453	24.6
213.09143	3.5
215.03394	2.0
215.07106	5.1
219.08130	1.5
221.09702	3.6
223.07677	2.3
223.11235	2.3
225.05544	2.0
225.09189	4.2
227.06946	3.2
227.10677	1.6
229.05063	2.6
235.11320	1.6
237.09230	3.6
237.12900	1.8
239.07156	1.8
239.10843	1.9
241.12294	2.1
241.19516	2.6
243.13838	2.3
243.21169	3.8
249.12697	2.7
251.10730	1.8
251.14336	1.9
253.12257	2.7
259.20682	6.6
261.12866	1.5
261.22125	13.9
263.10724	2.1
265.12225	3.1
267.13770	28.6
275.14383	1.5
277.21683	6.4
279.13959	2.1
283.13269	8.7
285.14963	4.3
293.11700	8.5
303.92166	1.4
309.15005	1.9
311.12842	22.7
311.16516	7.9
313.14441	2.3
315.23264	2.4
317.24744	3.7
327.16028	6.3
329.13940	2.4
329.17596	2.3
333.24197	3.4
335.25766	17.6
337.14343	14.3
355.15384	58.0
357.17017	12.8
361.23883	1.7
373.16705	4.6
405.24625	1.7
429.19098	46.5
429.24765	2.7
431.20856	6.3
447.20267	3.6
569.36694	2.6
587.37152	7.8
597.35822	5.9
605.39343	2.6
615.36798	23.1
623.39465	5.1
633.37872	21.9
651.38519	2.2
661.40942	4.2
665.40204	2.6
671.39648	3.7
679.42059	32.4
680.42462	2.8
689.40521	50.5
690.41028	3.4
707.41528	100.0
708.41711	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	707.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	3.4
53.03953	9.7
55.01870	9.4
55.05516	29.7
55.43428	1.5
57.03441	6.5
57.07069	3.4
65.03942	5.9
66.23661	1.4
67.05513	83.3
69.03440	5.8
69.07073	18.7
71.04991	5.6
77.03947	3.2
79.05501	100.0
81.03427	66.2
81.07064	81.0
83.05002	9.2
83.08642	12.2
85.06570	3.1
89.03889	3.5
91.05492	79.5
93.07052	80.0
95.04977	21.8
95.08613	52.1
95.35545	1.4
95.45621	1.4
97.02935	2.0
97.06536	5.8
97.10197	8.1
99.08089	1.5
103.05478	4.9
105.04540	4.6
105.07039	56.5
107.04967	7.2
107.08601	39.7
109.06551	6.1
109.10165	24.9
111.08100	2.9
115.05482	6.3
117.03423	3.1
117.07022	12.4
119.04978	1.8
119.08595	37.9
121.06514	3.6
121.10156	43.3
123.04425	8.6
123.08105	5.0
123.11747	5.7
125.09664	1.8
128.06255	2.6
129.07014	12.5
131.04956	4.6
131.08572	25.9
133.02867	4.4
133.06560	2.5
133.10147	22.4
134.71466	1.4
135.04437	5.1
135.08076	2.5
135.11708	15.2
137.05983	1.8
137.09657	2.3
141.07008	3.6
142.07828	3.8
143.08612	3.5
145.02913	3.2
145.06526	6.4
145.10156	11.2
147.04395	8.2
147.08072	3.9
147.11711	21.3
149.06029	6.2
149.09647	19.0
149.13295	6.7
151.11206	3.4
153.07037	2.4
155.04965	1.6
155.08585	2.3
157.06522	6.9
157.10123	9.8
159.04451	14.1
159.08121	1.6
159.11734	6.7
161.02327	10.2
161.06000	7.1
161.13336	5.6
163.03922	65.3
163.11198	2.1
163.14903	2.7
165.05505	8.8
165.06953	3.4
165.12796	8.9
167.08604	3.6
169.06494	3.3
169.10251	1.9
171.04410	2.5
171.08130	4.9
173.02368	30.4
173.04559	3.1
173.05931	15.0
173.13326	5.8
175.03949	4.6
175.07579	3.0
175.11223	5.5
175.14989	1.5
177.05540	2.0
181.06552	4.1
181.10034	1.7
183.04434	1.7
183.08134	6.3
183.11880	1.6
184.07368	3.7
185.05988	9.1
185.09679	2.0
185.13301	1.5
187.03929	27.5
187.07616	6.4
187.15005	1.8
189.05539	6.7
189.09239	3.0
191.08556	1.7
193.10728	1.6
193.12227	9.4
195.08144	3.9
197.06078	5.0
197.09694	3.2
199.03917	17.2
199.07660	5.5
199.11270	2.2
201.05527	8.6
201.09100	2.8
203.03491	3.8
203.07187	2.1
205.82172	1.4
207.08090	3.6
207.11711	1.8
209.09644	3.9
211.07593	4.9
211.11459	1.6
211.13361	5.3
213.05498	24.7
213.09018	3.4
215.03423	1.6
215.07106	3.0
217.04988	1.5
219.11626	1.7
221.09778	3.5
223.07628	1.9
223.11128	3.5
225.09177	3.9
225.12743	1.9
227.07063	3.1
233.09764	1.9
235.11235	2.8
237.12926	2.0
239.14465	3.4
241.19598	2.5
243.21194	3.1
247.11272	2.4
249.12880	4.1
259.20633	4.9
261.22107	11.5
265.12357	4.8
267.13800	59.8
268.14093	1.7
277.21643	3.6
283.13394	6.4
285.12219	1.5
285.14911	9.2
291.13861	2.2
293.11819	8.6
309.15021	6.7
311.12878	24.1
311.16492	11.0
313.14429	2.4
317.24847	3.9
327.15985	8.3
329.17538	1.7
333.17102	3.9
333.24432	3.0
335.25870	21.9
337.14212	7.5
355.15427	98.6
356.16028	2.6
357.17032	14.2
360.54205	1.4
361.23755	2.7
371.35544	1.4
373.16553	2.8
411.18359	1.8
423.25562	1.7
429.19156	57.5
430.19467	2.0
431.20953	4.9
432.25089	1.6
447.20160	6.7
587.37567	3.5
597.35699	3.3
605.38611	1.8
615.37006	11.0
623.39709	2.6
633.38239	13.7
651.38751	4.0
661.41388	1.6
671.40601	1.8
679.42218	21.4
689.40570	35.4
707.41614	81.9
708.42303	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	707.377
Annotation	Tetrastachynine
Peak:m/z	Relative Intensity
53.03929	0.8
55.05528	3.5
57.03426	0.7
57.07067	0.7
60.08164	1.9
61.22266	0.7
67.05503	6.7
69.07067	2.3
69.94050	2.8
69.94474	1.3
70.21306	0.7
71.04999	0.9
71.07372	1.7
71.80221	0.8
79.05509	4.6
79.35324	0.7
81.03410	2.7
81.07072	5.4
83.08611	2.4
86.09713	8.2
87.04472	2.0
87.10061	0.8
91.05505	3.9
93.07042	3.8
95.04958	1.4
95.08611	3.3
97.10188	1.0
98.98500	0.9
105.07031	2.6
107.08585	3.3
109.10153	1.2
112.01334	0.7
119.08601	2.6
121.10153	2.5
125.00018	7.0
129.06978	1.3
131.08548	1.5
133.10123	2.2
135.11711	1.0
145.10179	1.2
147.11700	1.6
149.13222	0.8
157.10066	0.9
159.11751	1.2
163.03943	1.6
169.84509	0.8
171.11595	0.8
173.02423	0.7
184.07347	28.4
185.07791	4.2
185.09180	0.7
191.10585	1.0
213.05508	0.7
235.58470	0.7
255.05998	0.7
275.20480	1.0
331.53534	0.9
335.25757	1.1
355.15433	1.4
429.19382	1.3
464.21838	1.9
527.37115	1.4
535.36627	2.0
595.46710	0.8
609.45428	1.2
689.40686	1.2
707.37665	100.0
708.37988	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	707.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	1.7
51.46339	1.7
52.05970	1.6
53.03957	9.5
55.01873	6.9
55.05515	29.3
57.03431	5.5
57.07071	4.6
65.03939	6.5
67.05506	82.5
69.03423	4.3
69.07077	17.3
69.62079	2.9
69.62484	8.3
71.04991	5.3
74.35116	1.5
79.05496	81.5
81.03419	57.1
81.07057	73.5
83.04996	10.5
83.08623	15.3
85.06562	1.9
89.03922	3.2
91.05483	69.8
93.07047	87.8
95.04967	17.2
95.08610	47.5
97.02875	2.4
97.06537	5.9
97.10162	6.4
98.20711	1.6
103.05497	5.8
105.04549	3.3
105.07027	46.7
105.07693	2.9
107.04956	6.5
107.08594	35.2
109.02876	1.5
109.06534	6.2
109.10158	27.2
111.08087	4.8
115.05479	6.0
116.06226	1.8
117.03355	2.3
117.07024	14.2
119.04995	2.3
119.08580	35.7
121.06559	4.5
121.10148	42.1
123.04410	9.9
123.08131	2.0
123.11723	7.8
125.09650	2.2
128.06239	5.0
129.06982	13.9
131.04962	4.9
131.08571	23.6
132.09361	1.5
133.02898	2.5
133.06544	3.4
133.10138	28.0
135.04445	7.2
135.08081	2.1
135.11708	16.5
137.06029	3.0
137.09647	5.2
139.47778	1.5
141.07034	4.5
142.07816	1.8
143.04900	3.9
143.08571	4.9
145.02859	3.3
145.06529	6.2
145.10118	13.9
147.04425	7.9
147.08104	4.0
147.11678	17.8
149.05998	4.2
149.09599	16.9
149.13245	9.2
153.07048	2.3
155.08583	4.4
157.05379	1.4
157.06461	8.7
157.10126	8.8
159.04439	16.2
159.11694	7.6
161.02386	10.6
161.06015	8.8
161.09659	2.6
161.13316	6.4
163.03906	43.8
163.07495	2.1
163.11140	2.0
163.14839	3.0
165.05507	6.6
165.06950	3.7
165.12741	3.8
167.08578	3.3
169.06523	2.8
169.10199	3.1
171.04425	3.8
171.08038	2.9
171.11719	3.4
173.02365	24.2
173.05980	13.8
173.13303	6.1
175.03967	6.7
175.07605	4.5
175.11217	7.1
175.14870	4.4
177.05537	5.0
178.08038	1.7
181.06528	3.6
181.10117	2.8
183.08138	5.7
185.05978	9.6
185.09579	2.1
185.13231	3.0
187.03889	28.1
187.07600	5.1
187.14844	4.5
189.05496	8.5
189.16454	2.0
193.10268	3.0
193.12282	13.7
195.08087	5.9
195.13908	2.4
197.06020	5.2
197.09686	3.5
197.13387	2.1
199.03918	15.2
199.05585	2.0
199.07645	6.8
199.14920	2.0
201.05437	12.8
201.09178	2.8
203.03348	3.8
207.08087	3.6
209.09647	3.9
210.06645	1.9
211.07500	8.6
211.13231	10.2
213.05472	26.7
213.09126	4.6
215.07112	5.0
215.10696	2.5
219.08240	1.9
221.09718	3.4
221.13185	2.0
223.07536	3.7
223.11177	3.9
225.05580	3.1
225.09029	3.5
227.07111	5.2
227.10677	2.7
229.04958	3.1
235.11304	2.1
237.09155	2.6
237.12700	3.1
239.10799	2.2
241.12343	3.9
241.19690	3.8
243.13832	1.7
243.21112	3.6
249.09140	2.1
249.12714	1.9
251.10841	2.6
253.12282	2.6
259.20499	7.7
261.22208	11.9
265.12161	2.4
267.13733	21.7
277.21805	7.9
283.13297	9.2
285.14917	5.2
293.11835	6.8
299.16302	2.0
309.14944	4.3
311.12839	19.8
311.16443	7.8
313.14517	3.7
315.23239	2.1
317.24530	2.6
327.15793	9.0
329.13898	3.1
329.17603	2.6
333.24344	3.7
335.25812	21.2
337.14355	11.7
355.15411	54.2
357.16934	15.4
361.23965	3.0
363.19641	2.1
373.16693	3.9
423.25461	2.4
429.19092	48.5
429.24625	2.8
431.20663	5.9
447.20142	2.6
527.37604	2.1
545.38708	2.4
553.33264	2.1
569.37219	2.3
571.34167	2.7
579.34674	1.9
587.37439	3.5
597.35724	7.6
605.38495	3.7
615.36810	19.8
623.39355	5.8
633.37671	25.1
635.39209	2.3
647.38940	2.0
651.39050	4.1
661.41278	4.8
663.40576	2.1
671.39893	3.4
679.41998	31.8
680.42334	2.0
689.40588	48.9
690.41058	2.6
707.41522	100.0
708.41864	4.7
726.83521	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
56.05042	0.7
57.07059	0.3
58.06388	0.1
58.06629	0.3
58.88629	0.1
59.07395	0.1
59.72259	0.1
60.08169	6.3
67.05505	0.6
69.03410	0.2
69.07059	0.2
70.06581	0.2
70.95265	0.2
71.04987	0.1
71.07380	3.5
71.08620	0.2
79.05492	0.4
81.03412	0.4
81.07047	0.5
83.04952	0.1
83.08621	0.1
85.02923	0.1
86.09713	30.2
87.04491	0.6
87.10014	0.2
91.05478	0.5
93.07044	0.4
94.07398	0.1
95.04981	0.2
95.08612	0.4
97.02908	0.1
97.53915	0.1
98.97873	0.2
98.98477	3.6
104.10751	2.5
105.07020	0.4
107.08601	0.2
109.10194	0.1
117.07037	0.1
119.08598	0.2
121.06519	0.1
121.10210	0.1
125.00016	21.0
125.09607	0.1
131.08557	0.2
133.10141	0.1
143.01047	0.2
143.08606	0.1
145.10190	0.1
150.06734	0.1
184.07353	100.0
185.07703	0.7
193.12100	0.1
211.13396	0.1
227.13031	0.1
337.27292	0.1
390.63965	0.1
496.34363	0.2
544.36371	0.2
609.26825	0.3
706.46838	5.8
707.46979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	4.2
53.03959	14.9
55.01871	5.7
55.05513	27.4
57.03424	8.9
57.07068	2.9
65.03943	7.1
67.05511	98.4
69.03436	24.9
69.07077	24.0
69.65456	2.9
71.05000	51.1
79.05066	5.7
79.05499	67.2
79.30176	2.9
81.03424	47.7
81.06589	5.9
81.07060	100.0
83.04968	12.9
83.08623	21.4
85.02917	9.2
85.06539	9.7
87.04462	3.7
91.05489	73.0
93.07049	68.0
95.04996	15.4
95.08611	41.9
97.02907	19.2
97.06528	12.0
97.10163	6.5
98.21529	6.3
98.98450	6.2
99.04459	8.2
105.04535	4.4
105.07048	42.3
107.04981	8.6
107.08600	39.2
109.02916	15.3
109.06509	6.6
109.10170	22.9
111.04446	9.9
114.38303	2.9
115.05458	3.2
117.07028	17.9
119.08597	19.4
121.06506	3.4
121.10161	29.5
123.08059	3.7
123.11746	15.1
125.09666	7.3
127.03902	12.2
129.07004	10.8
131.08574	23.4
133.10136	32.2
135.08101	3.3
135.11705	20.2
137.09604	5.7
143.08577	7.3
145.10126	14.9
146.86984	2.7
147.11684	11.7
149.09636	3.2
149.13274	12.9
151.11133	14.8
155.08604	6.4
157.10124	6.8
159.06702	3.4
159.07974	3.3
159.11722	20.5
161.09599	3.3
161.13275	5.8
163.11176	7.9
173.04474	12.3
173.09554	4.5
173.13228	6.0
175.15010	3.4
177.12729	10.6
181.10071	3.6
183.11743	6.2
183.13829	9.1
184.07353	11.4
185.07736	3.6
185.09686	3.0
185.13324	3.7
187.00748	2.8
187.13287	13.1
187.14767	5.0
191.10811	3.7
193.12291	5.9
195.13837	9.2
197.13135	3.7
201.14857	4.2
211.11276	2.8
222.53311	4.0
227.12758	7.3
257.17368	5.3
261.22049	5.7
277.21756	4.1
317.24710	3.5
321.17068	4.4
325.95242	2.9
335.25873	6.5
339.18100	7.1
349.27533	4.8
351.22940	4.1
369.24255	8.4
461.29056	4.3
475.21341	5.0
501.35532	9.8
503.37445	4.8
517.38519	10.4
533.37537	4.1
600.55334	3.2
607.43213	4.1
608.26196	15.3
647.31348	4.8
651.11340	3.2
655.42438	3.6
673.43060	9.6
705.45642	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	705.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	2.2
53.03941	17.3
55.01875	13.6
55.05514	35.0
55.94622	2.9
57.03439	13.2
57.07079	2.7
58.63430	1.9
59.04978	2.6
61.02916	4.6
65.03935	5.1
67.05504	83.2
69.03430	33.9
69.07072	27.7
71.04987	10.0
71.12539	4.2
73.02902	4.7
79.05495	73.1
81.03421	58.5
81.07057	100.0
83.01333	2.4
83.04980	29.1
83.08614	17.5
85.02914	16.3
85.06532	5.5
91.05482	67.6
93.07043	75.5
95.01373	2.0
95.04967	17.2
95.08606	44.8
97.02888	28.5
97.06547	17.7
97.10166	6.4
99.04440	9.6
99.08140	2.1
103.05494	2.1
104.34181	2.2
105.04484	2.3
105.07036	56.0
107.04966	13.5
107.05591	2.8
107.08596	40.4
109.02877	14.7
109.06521	8.8
109.10149	27.3
111.04456	11.1
111.08079	5.9
115.05473	4.7
116.06297	2.6
116.25583	2.0
117.07014	27.7
119.08587	40.1
121.06508	9.2
121.09341	3.0
121.10146	29.2
123.04403	3.5
123.08065	6.0
123.11702	9.4
125.09633	9.8
127.03910	16.5
128.06165	5.2
129.05461	4.9
129.06989	16.8
131.08566	36.9
133.06490	5.4
133.08583	3.1
133.10135	30.6
135.08058	10.6
135.11697	21.7
137.06050	3.5
137.09619	6.0
139.11180	2.3
141.06995	5.9
142.07758	3.1
143.08537	15.5
145.06467	5.5
145.10123	32.8
147.08054	6.1
147.11699	21.8
149.09625	11.6
149.13287	13.6
151.11165	6.4
153.12801	4.6
154.07780	2.6
155.08528	10.0
157.10127	14.8
159.08081	6.1
159.11732	21.8
161.09625	8.2
161.13261	6.6
163.11211	15.8
165.06984	2.6
165.12746	2.6
167.08600	3.2
169.10141	15.4
171.08083	4.5
171.11601	10.6
173.04538	10.1
173.09637	7.5
173.11903	2.7
173.13208	10.9
175.11238	4.8
177.08777	2.5
177.12785	4.7
179.08592	3.2
181.10115	6.2
181.12219	6.7
183.11710	9.1
184.07352	5.0
185.09592	3.5
185.13274	8.6
187.07605	2.9
187.11157	3.9
187.14810	5.7
189.11066	3.4
189.12709	5.2
191.10674	8.5
193.10042	2.1
193.12204	3.1
195.11708	3.6
195.13863	3.8
197.09663	3.9
197.13316	5.7
199.11166	5.0
201.12848	2.9
203.14386	2.6
208.82211	2.0
209.11713	19.0
209.13301	4.8
211.13120	2.4
211.14951	3.0
213.16422	4.0
215.10667	2.9
225.16466	2.7
227.12773	13.2
229.12317	2.5
229.14395	2.5
243.10097	4.1
247.20506	3.7
257.19022	5.0
259.20560	5.0
261.22198	5.5
267.15973	2.9
267.21228	3.5
269.17426	12.4
273.18494	2.7
275.20044	24.9
283.15417	6.3
289.21527	2.5
293.20959	3.0
301.21536	3.1
315.23053	2.8
327.23260	2.5
335.25943	5.8
349.23914	10.4
353.16031	3.3
353.24847	2.5
369.24216	6.1
387.25183	2.4
413.21872	3.8
427.19687	2.5
451.32016	5.2
469.33014	5.0
525.35883	12.5
543.36761	42.6
559.34772	2.6
561.37683	4.1
623.40332	2.3
651.38336	2.4
669.39874	6.4
687.41003	17.1
705.42120	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	705.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	14.6
55.01865	7.6
55.05517	34.7
57.03445	15.6
57.07074	3.8
61.02931	6.6
65.03947	5.9
67.05512	100.0
69.03432	37.2
69.07078	23.4
70.89057	2.0
70.90961	5.6
70.91339	4.5
71.01350	3.8
71.04987	13.2
79.05496	68.7
81.02982	4.4
81.03420	40.6
81.07058	78.1
83.04987	15.7
83.08612	15.7
85.02903	14.3
85.03309	2.1
85.06537	6.4
86.09719	9.7
87.04459	6.0
91.03947	2.6
91.05490	64.6
93.07049	76.5
95.04977	18.9
95.08610	53.8
97.02908	21.0
97.06528	9.7
97.10173	9.6
99.04453	9.6
105.04533	3.1
105.07031	52.6
106.04169	2.3
107.04959	11.8
107.08597	45.4
109.02893	15.1
109.06527	10.3
109.10162	32.2
111.04473	14.9
111.08092	4.5
115.03980	3.1
115.05462	3.9
117.07027	26.7
119.08585	48.3
121.06506	7.4
121.10147	24.4
123.04417	5.0
123.08076	7.7
123.11699	9.9
125.00019	4.8
125.09628	5.3
127.03941	12.6
127.11222	5.8
128.06229	4.4
129.05502	2.8
129.07011	22.5
130.07782	2.6
131.08572	30.2
133.06467	4.6
133.10136	39.8
135.08070	10.2
135.11696	26.4
137.09627	4.9
141.06985	4.4
142.07689	2.4
143.08549	14.3
145.06497	7.4
145.10124	34.4
147.08087	5.8
147.11690	14.8
149.06142	2.7
149.09627	10.4
149.13292	8.6
151.07507	2.6
151.11220	5.9
153.12796	3.3
155.08548	8.7
157.10115	15.1
159.08098	6.2
159.11725	16.4
161.09630	7.9
161.13266	9.1
163.11198	12.6
165.09149	2.6
167.08441	4.3
169.10121	8.4
171.08022	4.9
171.11708	9.0
173.04547	5.1
173.09679	5.9
173.11815	5.2
173.13306	7.7
175.11215	5.9
175.14854	4.7
177.12794	3.2
181.10147	4.1
181.12271	5.3
183.11693	9.3
184.07359	25.7
185.07849	5.2
185.09627	4.2
185.13304	7.4
187.11247	6.2
187.14804	5.9
189.11232	3.0
189.12746	4.2
191.10669	6.7
193.12276	3.4
195.11729	6.9
197.13272	5.8
199.11211	3.7
199.14771	3.8
201.12708	3.1
209.11699	35.7
209.13380	4.3
219.17499	4.9
223.14873	3.7
227.12830	9.6
227.16496	6.3
229.14392	6.9
231.17581	2.3
259.20660	5.3
261.22134	6.5
267.86658	2.6
271.20639	5.8
273.22195	5.4
275.20074	3.6
277.21802	3.1
280.26669	2.6
283.15298	16.4
289.21585	4.8
291.23032	2.6
301.21490	5.6
303.22900	3.7
315.23224	3.3
317.24805	3.7
335.25687	5.0
339.68884	2.6
351.23065	2.6
357.24088	2.6
369.24402	3.2
387.25415	5.4
427.19662	3.0
433.31039	4.5
443.27734	3.0
451.32043	6.9
469.33029	9.7
487.34088	5.1
501.35855	4.5
519.36652	10.5
525.35822	21.5
543.36804	73.0
561.37756	7.1
608.25891	4.2
613.37787	2.9
629.29358	3.0
651.38843	4.2
669.39606	6.5
673.26996	3.2
687.29993	3.8
687.40747	16.9
705.30682	19.5
705.41901	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
54.73483	1.3
55.01873	4.2
55.05515	82.0
65.03936	4.6
67.01867	2.3
67.05499	3.9
69.03435	20.4
69.79779	6.4
71.04998	2.1
79.05500	10.2
81.03403	2.0
81.07067	4.2
83.04987	100.0
91.05489	15.6
93.03416	2.0
93.07015	3.2
94.59125	1.4
95.05000	8.5
97.02883	4.6
97.06509	3.1
98.20753	1.7
99.04456	5.8
103.05469	4.5
105.07043	17.4
107.04964	8.4
107.08572	2.6
109.02901	2.4
109.06519	3.1
115.05465	9.8
117.07020	13.0
119.04950	3.4
119.08590	5.9
121.06501	5.9
123.04457	3.7
128.06235	18.2
129.07021	20.1
130.07820	2.7
131.04950	3.9
131.08582	9.3
133.06490	6.3
133.10176	2.6
135.04402	6.5
135.08055	2.3
137.06017	1.8
141.07007	21.9
142.07787	15.0
143.08565	22.7
145.06499	15.5
145.10129	6.6
147.04451	2.9
147.08061	5.1
149.05971	4.4
152.06233	13.9
153.06995	18.9
154.07787	23.5
155.05995	2.5
155.08554	16.5
156.09331	3.2
157.06519	6.3
157.10135	7.1
158.07257	4.3
159.04437	2.0
159.08052	8.6
159.11737	2.6
161.06018	9.4
163.03902	1.9
163.07613	1.9
165.05635	2.8
165.06967	11.7
166.05518	1.6
166.07780	6.1
167.08594	20.3
168.09259	2.3
169.06496	5.9
169.10138	29.8
170.07262	3.0
171.08098	13.7
171.11745	3.9
172.08783	2.3
173.06006	8.6
173.09634	8.4
175.03851	2.1
178.07779	4.1
179.08553	12.0
180.09416	2.0
181.06470	9.2
181.10100	4.7
182.07275	11.6
183.08078	4.7
185.05998	3.1
185.09642	16.3
187.07571	5.4
187.11194	6.0
189.05473	2.2
189.09100	1.9
192.09160	1.8
195.08044	20.1
196.08780	3.8
197.05937	2.2
197.09641	37.4
199.07620	8.5
199.11244	4.2
201.05496	2.7
201.09081	7.6
205.10141	1.7
207.08054	2.7
209.09607	3.1
209.78993	1.4
210.06738	1.9
211.07573	2.6
213.09093	27.3
214.09595	1.6
215.07019	3.5
215.10667	16.8
217.08597	2.7
221.09673	1.7
223.07597	9.0
223.11122	1.8
225.09125	21.0
227.10667	2.8
231.10072	1.7
233.09641	2.6
237.09245	2.1
241.08601	73.0
243.10179	29.7
251.10527	1.7
253.12288	2.2
259.09683	10.3
261.11224	4.8
265.12280	2.2
279.11703	1.6
341.13950	6.8
407.16177	2.1
425.17542	2.2
455.18213	1.9
471.17978	4.2
483.17633	2.1
501.19260	4.1
519.20239	3.3
587.22711	4.1
605.23462	4.3
705.32202	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	0.9
57.07061	0.2
58.06352	0.1
58.06623	0.3
59.07381	0.2
60.08167	7.7
64.34099	0.1
67.05515	0.6
70.06590	0.1
70.68576	0.3
71.07374	3.8
71.08601	0.1
78.46159	0.1
79.05475	0.2
81.07069	0.3
83.08610	0.2
84.54435	0.1
85.10155	0.2
86.09708	34.9
87.10026	0.1
91.05488	0.1
93.07046	0.3
95.08589	0.4
98.98466	3.7
104.10746	3.2
104.21292	0.1
105.32131	0.1
105.32925	0.1
107.08595	0.4
109.10173	0.2
111.47713	0.1
114.68581	0.1
119.08566	0.1
121.10163	0.1
125.00010	22.7
135.11681	0.3
145.10146	0.2
163.11153	0.2
184.07346	100.0
185.07727	0.4
187.69875	0.1
290.50519	0.1
352.11746	0.1
381.63144	0.2
496.34116	0.2
515.84845	0.2
521.38513	0.2
686.28741	0.4
704.31775	0.4
704.45001	12.0
705.45313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
55.05506	0.4
56.05038	0.7
57.07055	0.2
58.06363	0.2
58.06628	0.5
60.08169	6.9
62.50423	0.2
67.05507	0.7
68.26550	0.1
68.64495	0.1
68.76254	0.1
69.07077	0.3
69.87226	0.8
70.06599	0.2
71.04941	0.2
71.07382	3.7
71.08647	0.2
73.85493	0.1
79.05498	0.6
81.07047	0.6
83.04974	0.3
86.09711	33.3
87.10069	0.2
91.05485	0.4
93.07043	0.5
94.78040	0.1
95.04968	0.2
95.08606	0.5
98.20737	0.2
98.98479	3.9
104.10746	3.5
105.07027	0.3
107.08581	0.4
109.10164	0.3
117.07053	0.2
119.08595	0.3
121.10110	0.2
125.00014	22.8
131.08598	0.3
135.11728	0.3
145.10194	0.2
163.11140	0.2
184.07352	100.0
185.07741	0.7
329.19601	0.2
466.22388	0.2
478.32745	0.2
496.33679	0.4
672.27527	0.2
704.44928	10.5
705.32428	0.3
705.45264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43324	1.5
53.03950	6.8
54.65396	1.7
55.01874	3.7
55.05515	62.6
61.02931	2.2
61.51170	1.6
65.03942	5.7
67.05511	24.1
69.03423	5.6
69.07078	6.0
69.34508	15.0
70.06576	1.6
73.16067	1.9
79.05499	22.0
81.03421	7.5
81.07056	26.9
83.04987	100.0
83.08619	3.9
91.05484	36.5
93.07053	29.6
95.04967	16.0
95.08602	17.2
97.06549	3.6
103.05482	2.8
105.06325	2.1
105.07038	42.7
105.07696	3.7
107.00307	1.7
107.04984	5.8
107.08615	22.1
109.06542	8.0
109.10150	9.6
111.04479	3.3
111.50340	1.6
115.05455	5.0
117.07030	16.0
119.04961	5.8
119.06028	1.5
119.08591	20.9
121.02922	2.9
121.06509	8.5
121.10165	7.6
123.04414	2.4
123.08002	2.2
123.11696	2.7
128.06215	9.0
129.07005	21.0
130.07880	2.8
131.04958	2.6
131.08575	22.5
133.06537	4.5
133.10130	13.5
135.04445	3.2
135.08083	4.6
135.11746	5.6
137.09605	1.8
141.06984	12.8
142.07800	12.8
143.08571	20.7
144.09300	3.2
145.06526	5.7
145.10123	16.4
147.08047	4.8
147.11684	10.6
149.02338	2.3
149.05983	4.1
149.09607	3.2
149.13319	1.9
151.04012	2.0
152.06177	3.2
153.07019	4.4
154.07828	7.8
155.08560	14.0
155.54639	2.0
156.09387	2.8
157.06525	4.0
157.10120	16.5
158.07214	2.2
159.04422	3.5
159.08055	9.7
159.11691	10.9
160.90508	1.8
161.06003	16.2
161.09587	2.4
161.13231	4.7
163.03932	1.8
163.07553	2.5
163.11194	2.3
165.07021	3.9
166.07791	1.9
167.08521	9.6
169.10153	15.7
170.07352	2.7
171.08075	5.1
171.11699	10.3
173.05954	2.1
173.09648	6.5
173.13297	5.1
175.07533	3.2
175.11200	3.6
178.07802	2.5
179.08476	3.4
181.10149	7.3
182.07245	2.7
183.08034	4.1
183.11729	7.9
185.09679	8.7
185.13310	6.7
187.07558	3.4
187.11221	4.0
187.14854	2.7
189.09198	3.5
193.10207	2.8
195.08084	4.9
195.11705	4.9
197.09602	9.5
197.13322	4.4
199.07535	3.5
199.11203	3.7
199.14857	7.7
201.09157	6.3
201.12743	2.1
207.11678	2.5
209.09602	3.5
209.13319	5.1
211.07463	2.1
211.11203	2.0
211.14825	5.0
213.09105	11.8
215.10736	8.3
217.08521	3.3
219.11716	3.1
221.13322	2.3
223.07745	2.1
225.09187	2.8
225.16460	4.1
227.14301	2.4
231.11917	2.5
241.08662	5.6
243.10051	16.7
253.19469	2.2
259.09738	5.2
261.16428	2.4
265.19568	3.5
267.21146	4.9
283.20651	2.8
292.89642	1.8
341.13800	3.7
343.15710	5.6
359.14981	6.8
422.85352	1.6
443.28070	1.7
454.70071	1.8
541.35266	4.7
625.34381	1.8
703.39923	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	703.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.0
55.01864	5.3
55.05516	68.9
57.88041	2.1
58.06565	2.1
60.26648	2.1
65.03930	4.0
67.05515	21.0
69.03414	7.1
69.07061	4.6
70.06581	7.4
71.11979	5.2
79.05497	21.4
81.03409	7.4
81.07061	28.8
83.04990	100.0
88.07623	7.7
91.05489	38.7
92.59052	2.2
93.07051	27.1
95.04487	1.8
95.04987	16.7
95.08619	12.7
97.06532	3.6
99.79042	2.4
102.09174	5.7
103.05460	2.9
105.03397	2.3
105.04530	2.8
105.07042	37.8
107.04956	3.5
107.08604	18.8
109.02883	4.7
109.06496	8.0
109.10146	5.0
111.04437	5.5
114.78049	2.1
115.05451	7.9
117.07029	21.7
119.04951	6.3
119.08589	20.1
121.02846	3.5
121.06490	8.5
121.10149	5.8
123.04441	2.7
123.08106	3.1
128.06224	10.2
129.07018	17.7
130.07826	2.3
131.08588	21.1
133.06479	8.6
133.09286	2.3
133.10106	13.9
135.08087	5.1
135.11690	3.7
137.05992	4.4
141.06966	9.3
142.07750	7.6
143.08556	18.1
145.06494	5.5
145.10150	19.4
147.08035	3.1
147.11678	7.2
149.02335	9.5
149.06012	4.1
149.09633	2.4
150.02707	3.2
151.03885	3.0
152.06175	2.9
153.06973	3.8
154.07770	7.7
155.08575	12.2
156.09361	3.6
157.06482	5.1
157.10143	16.0
159.04437	2.9
159.08089	11.0
159.11697	13.2
161.05997	14.6
161.09660	4.3
161.13254	3.9
165.06961	4.8
166.07808	5.0
167.08571	8.0
168.09302	2.2
169.10106	12.6
171.08014	5.7
171.11768	5.7
173.05974	3.0
173.09624	5.0
173.13274	5.8
175.07559	3.8
175.11195	4.1
181.10161	6.7
182.07274	3.2
183.08064	3.1
183.11716	6.9
184.07359	3.7
185.09636	6.3
185.13219	5.1
187.07542	4.8
187.11174	5.7
187.14804	3.2
193.04959	5.6
193.10196	4.7
195.07959	3.3
195.11649	6.7
197.09654	7.9
197.13235	4.1
199.11198	3.2
199.14871	3.1
200.12102	2.8
201.09189	3.0
207.11705	3.4
209.13165	3.4
211.11165	3.7
211.14854	3.8
213.09204	4.5
215.10712	7.4
221.13225	2.7
225.09073	2.5
233.13263	5.5
243.10141	13.3
256.26349	8.3
257.26654	6.6
259.09705	6.1
265.19534	3.3
267.21170	3.3
275.20193	2.4
301.03397	2.3
315.14261	2.6
325.14172	3.2
343.15567	4.8
359.14752	8.5
411.13562	2.8
425.19556	4.6
430.12262	2.8
437.19354	2.3
525.29877	5.2
541.34869	4.6
543.30963	3.7
546.77502	2.5
625.35419	3.6
643.36304	3.9
703.39001	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33813	1.8
55.05527	1.5
57.00649	1.3
57.03440	1.6
57.07082	3.2
61.19093	1.5
67.05512	4.0
71.51770	2.5
74.80254	1.4
77.03360	1.7
79.05516	3.1
81.07078	4.0
83.08617	1.8
86.09719	2.8
89.06041	6.3
91.05487	2.5
91.09566	1.3
93.07073	2.3
95.08602	2.2
100.54719	1.4
107.08591	1.4
109.10148	2.2
117.07058	1.7
124.13670	1.4
133.08650	3.8
133.10103	1.6
159.09258	1.7
164.10747	3.6
166.16896	1.5
177.25256	1.3
177.74846	1.6
184.07401	3.6
223.12431	3.3
225.13954	1.7
229.14633	1.3
235.12428	2.3
237.13795	3.2
247.12343	1.6
248.11888	2.1
249.14009	2.9
273.08102	1.4
325.16629	1.6
335.26147	2.7
337.15729	2.2
351.16306	1.7
353.17496	2.1
365.17996	2.2
367.19257	2.4
377.17429	1.8
379.19641	2.1
380.20819	1.8
381.20898	4.2
394.18024	3.4
395.18741	3.2
400.20398	2.0
407.18460	2.3
408.19598	5.4
409.20258	34.1
410.20996	4.3
419.18912	2.2
421.20267	4.2
423.21857	15.9
424.22647	13.9
435.22095	3.4
437.24271	1.8
439.17471	3.5
443.22385	6.2
449.19812	1.7
451.21423	3.1
453.18585	7.4
454.20148	1.8
465.23187	1.9
467.20627	2.9
468.21362	3.4
477.19138	2.1
479.20621	2.2
480.18271	1.8
492.21594	1.9
493.18921	4.1
495.24182	5.5
496.24588	1.6
497.25754	6.8
507.23740	2.0
510.26611	2.8
511.27194	30.5
512.27588	5.3
523.23505	5.8
524.24286	2.5
535.19763	2.1
537.25580	2.3
539.24420	2.9
541.24249	5.0
551.22748	3.0
553.20740	1.9
555.26099	30.4
556.26923	8.4
565.24915	1.9
567.22473	5.6
569.24066	2.0
581.27814	6.1
582.24976	4.6
583.25635	4.8
593.24115	6.3
598.27814	21.4
599.28418	2.8
600.29022	4.2
611.24738	3.2
625.26410	11.9
627.27686	2.1
642.26740	3.3
643.17297	1.7
643.27039	7.4
644.28522	1.6
653.26184	24.1
671.27063	5.2
685.28729	83.7
686.28943	4.1
703.29755	100.0
704.30054	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	703.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89412	1.0
55.05508	2.7
57.07067	1.0
67.05507	6.3
69.03432	1.2
69.07081	1.2
71.04982	1.1
71.52196	1.5
75.60205	0.8
79.05521	5.3
81.03413	2.3
81.07055	4.8
83.04984	1.8
84.27899	0.9
85.02905	1.5
86.09721	1.6
91.05469	4.8
93.07046	4.7
95.04984	1.6
95.08582	2.9
105.07021	3.6
107.08594	2.7
109.06536	1.0
109.10161	2.6
117.06979	1.2
119.08583	2.9
120.08126	1.3
121.08961	1.0
121.10085	1.8
129.06976	2.0
131.08548	2.9
132.08066	1.3
133.10086	2.6
145.06569	1.2
145.10085	2.2
147.11766	1.4
151.07553	1.2
159.09167	1.2
161.05984	1.2
163.07504	1.1
166.08630	1.6
173.07138	3.0
180.10255	1.4
184.07376	2.4
185.06996	1.2
187.08769	2.6
197.10719	1.6
201.06558	2.7
202.08626	1.3
208.09711	2.3
208.11420	1.8
209.10664	5.0
210.11324	2.5
211.12315	6.8
212.13057	1.5
215.08228	1.4
219.11320	2.1
222.12988	2.0
223.12083	5.2
224.09441	1.3
224.13052	6.8
225.13853	6.1
226.14656	1.8
227.15417	1.0
229.06215	1.2
233.13016	1.2
235.08830	1.0
236.13113	1.9
237.10286	1.7
237.13869	12.8
238.14610	7.4
239.08218	1.2
239.15445	7.7
249.13882	1.9
250.11055	1.0
251.11777	2.1
253.13356	4.3
259.10754	1.5
260.87909	1.3
265.13412	7.7
266.14038	5.0
267.14935	6.8
267.67258	1.2
275.10248	1.2
287.10513	1.1
296.01663	1.3
297.12387	2.2
299.10361	1.6
300.14978	1.6
302.16653	1.6
309.15979	1.2
314.16525	1.9
315.17151	1.4
315.67767	1.0
316.17883	1.3
317.11392	1.6
325.15320	3.4
326.16455	1.7
327.17285	2.1
328.18011	1.3
330.12253	1.3
352.17938	1.6
358.15591	1.7
369.17123	1.5
374.18747	1.5
383.19073	1.6
386.18826	1.5
387.19604	1.5
388.20361	3.6
389.21100	2.0
394.18793	1.2
402.22073	2.4
404.23227	3.1
411.18420	2.3
412.19162	1.6
413.19482	1.5
421.16553	1.9
427.21173	4.4
430.21402	1.5
431.22125	1.2
455.20914	2.9
468.22598	1.7
470.23416	1.6
471.23880	1.7
480.21884	1.4
481.22519	1.5
485.25342	2.1
490.23651	5.5
491.24118	3.5
495.23956	2.5
496.23047	1.7
497.25296	2.0
498.23364	4.5
499.23135	2.5
513.25140	7.1
514.25378	3.5
523.23224	6.8
524.22797	2.2
526.22491	1.7
527.22888	1.2
541.24561	6.9
542.25183	2.9
551.22894	3.6
556.24854	1.7
565.23810	1.4
569.23828	7.4
583.25439	6.1
584.25940	3.2
585.40790	1.2
601.26495	12.0
611.25122	25.4
611.34662	1.2
629.16003	1.6
629.26117	26.0
630.25897	1.9
639.24341	2.5
643.27673	37.4
644.27954	1.4
653.25458	1.4
661.28833	7.2
671.27148	100.0
672.27344	5.4
685.39307	1.5
703.29663	23.3
703.40442	2.2
704.29480	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
55.01873	3.1
55.05515	75.5
55.40282	0.7
57.94942	0.7
65.03938	2.8
67.05509	4.3
69.03434	2.5
69.07079	2.0
69.57812	2.7
69.58241	2.7
71.05008	1.0
77.03932	1.0
79.05505	7.6
81.03417	2.6
81.07082	3.8
83.04986	100.0
91.05489	14.8
93.03370	1.3
93.07047	4.1
95.04963	5.7
95.08589	1.2
97.02866	1.3
97.06542	1.9
99.04473	1.4
103.05476	3.7
105.07030	13.8
105.07690	1.0
107.04947	5.9
107.08602	2.3
109.02889	1.3
109.06538	3.4
112.70674	0.7
115.05440	7.4
116.06270	1.8
117.07025	8.8
119.04929	2.8
119.08579	6.1
121.02853	1.6
121.06515	4.1
123.04465	3.3
123.08090	1.4
128.06224	12.6
129.07014	12.9
130.07805	1.0
131.04961	1.8
131.08571	8.1
133.06476	4.1
133.10170	1.6
135.04437	4.0
135.08049	1.1
137.05991	1.6
141.06999	14.6
142.07782	6.3
143.04912	0.8
143.08571	13.4
144.09344	1.6
145.06485	8.0
145.10112	5.3
147.04442	1.8
147.08034	4.7
149.06029	1.6
149.09668	0.8
151.07526	1.1
152.06207	4.5
153.07018	9.4
154.07777	17.6
155.04964	1.3
155.06073	1.0
155.08562	12.4
155.09718	1.0
156.09381	2.4
157.06519	5.8
157.10124	5.3
158.07330	3.2
159.04477	2.8
159.08058	6.9
159.11716	1.7
161.05974	4.4
161.09666	1.5
163.03865	1.3
163.07600	2.3
165.07007	9.3
166.07784	5.7
167.08585	8.9
168.05862	0.9
168.09398	1.4
169.06520	4.6
169.10118	24.0
171.08044	8.8
171.11711	3.2
172.08800	1.3
173.05978	4.9
173.09654	5.2
175.03931	1.1
175.07594	4.4
175.08858	0.7
177.09109	0.9
178.07800	4.2
179.08582	12.8
180.09280	1.4
181.06522	3.7
181.10121	6.4
182.07295	8.4
183.08054	4.6
183.11731	1.4
184.08824	1.2
185.06065	1.5
185.09636	5.3
187.07558	4.9
187.11183	4.9
189.05511	1.8
189.09212	2.0
190.07892	1.3
191.08606	1.8
192.09427	2.2
193.10187	3.4
195.08006	3.6
195.11758	2.1
196.08914	1.2
197.05896	2.1
197.09627	32.0
198.10141	1.2
199.07538	4.3
199.11212	5.6
201.05515	1.1
201.09148	4.5
202.07928	1.0
203.06947	1.0
203.08566	2.2
203.10419	1.1
204.09439	1.2
205.10185	2.7
206.10873	1.1
207.08131	3.2
207.11760	2.0
209.06018	0.9
209.09550	4.6
210.06799	0.9
211.07616	3.1
211.11266	1.9
213.09081	5.5
215.07104	1.1
215.08704	1.8
215.10658	14.0
216.09329	1.6
217.10269	1.4
219.08078	1.3
219.11711	1.2
220.08800	0.9
220.12524	1.0
221.09641	2.2
223.07568	2.6
223.11264	2.7
225.09129	26.0
225.12587	1.5
227.10686	4.1
228.09319	1.5
229.08395	1.0
231.10071	1.0
231.11987	1.4
232.08768	1.3
233.09644	1.7
235.11324	2.0
237.09064	1.2
237.12779	1.3
239.10652	1.6
241.08653	3.4
242.11072	1.2
243.10143	34.4
245.07834	1.3
245.11819	1.3
246.10370	1.3
247.11266	2.1
249.09157	1.9
249.12863	1.6
251.10773	2.5
253.12285	2.0
254.10980	1.0
255.11827	1.4
256.12598	0.9
259.11743	1.0
261.11420	3.1
263.10812	2.4
265.10031	0.9
265.12515	1.4
269.11835	0.8
275.10709	1.0
279.10068	1.1
281.12009	1.0
287.10831	0.9
291.10855	0.8
293.11890	1.3
297.11224	0.9
301.12311	1.3
307.13629	0.9
329.11884	1.2
343.15646	1.0
379.16977	1.8
393.18692	1.4
397.18188	2.3
399.15579	1.0
403.17227	1.6
407.16998	1.2
411.19708	1.9
421.18097	2.6
425.17508	1.2
429.20889	1.1
439.18857	4.5
443.18765	2.6
445.16376	0.9
449.17126	1.7
457.20349	3.2
467.18661	4.0
475.21210	1.9
485.19543	7.2
503.20798	6.4
585.25128	1.4
603.25922	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	702.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.8
55.01874	5.5
55.05518	53.7
57.03183	1.7
57.03443	14.0
57.07072	2.9
59.05006	1.4
60.08165	3.5
61.02928	3.2
65.03957	1.9
67.05513	55.4
69.03449	7.3
69.07080	16.3
69.28450	5.4
69.28879	5.1
71.05004	2.0
71.07386	1.9
73.02896	1.6
79.05501	41.6
80.98690	1.2
81.03435	1.5
81.06590	2.3
81.07067	47.0
83.04979	4.8
83.08150	2.2
83.08627	31.2
85.02895	3.5
85.06554	1.8
86.09716	23.1
87.04462	1.9
91.05494	13.1
93.07057	35.6
95.04980	2.9
95.08617	31.0
97.02927	1.6
97.06532	1.9
97.10180	74.9
98.44944	1.1
98.98489	2.8
99.08079	1.8
101.09673	2.0
104.10763	2.3
105.07046	11.3
107.08609	39.0
109.06508	1.7
109.10167	15.3
109.67800	1.1
111.08099	3.4
117.07023	6.0
118.82426	1.1
119.08593	7.7
121.10154	12.1
123.11699	4.9
125.00011	16.0
125.09644	69.7
131.08601	8.2
133.10168	6.8
135.08070	9.2
135.11696	9.2
137.13251	2.3
142.01491	1.0
143.10654	2.3
145.10147	6.3
147.11687	5.3
149.13304	6.5
151.14902	1.2
153.09108	4.0
159.11729	4.1
161.13260	3.2
163.14894	3.7
166.57645	1.2
169.93501	1.2
171.10155	8.7
171.11447	1.5
173.13303	4.0
175.14853	1.5
177.16330	1.2
184.07370	72.9
187.14870	2.8
188.83884	1.5
189.11237	45.0
201.16397	1.7
216.16058	1.1
227.12810	78.8
243.21156	4.6
245.13878	100.0
246.14174	1.4
261.22202	23.7
274.52512	1.1
279.23230	2.8
294.89230	1.3
317.24811	3.7
335.25836	67.9
413.30573	2.1
423.21564	1.4
431.31995	1.9
487.34073	7.7
495.19699	1.4
505.28168	2.3
505.35315	39.5
514.73645	1.3
523.36127	1.5
529.38910	3.0
642.26367	2.1
670.26093	3.4
686.01691	1.3
702.28027	5.0
702.47437	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	702.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91359	0.2
56.05027	0.7
58.06609	0.6
60.07896	0.4
60.08170	5.8
67.05490	0.7
69.07062	0.4
70.15361	0.5
70.15756	0.7
71.07372	3.2
79.05467	0.6
81.07040	0.9
86.09711	29.0
89.06030	1.2
91.05447	0.5
93.07029	0.7
95.08595	0.7
98.98472	3.6
104.10749	2.6
105.07034	0.5
109.10150	0.6
125.00014	19.8
133.08647	0.5
135.11684	0.3
153.11160	0.3
177.11188	0.3
184.07349	100.0
185.07700	0.5
191.75226	0.3
231.16656	0.3
256.46271	0.3
301.14221	0.3
389.40027	0.3
557.10754	0.3
573.48627	0.6
622.00769	0.3
702.32117	1.5
702.46924	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	702.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91359	0.2
56.05027	0.7
58.06609	0.6
60.07896	0.4
60.08170	5.8
67.05490	0.7
69.07062	0.4
70.15361	0.5
70.15756	0.7
71.07372	3.2
79.05467	0.6
81.07040	0.9
86.09711	29.0
89.06030	1.2
91.05447	0.5
93.07029	0.7
95.08595	0.7
98.98472	3.6
104.10749	2.6
105.07034	0.5
109.10150	0.6
125.00014	19.8
133.08647	0.5
135.11684	0.3
153.11160	0.3
177.11188	0.3
184.07349	100.0
185.07700	0.5
191.75226	0.3
231.16656	0.3
256.46271	0.3
301.14221	0.3
389.40027	0.3
557.10754	0.3
573.48627	0.6
622.00769	0.3
702.32117	1.5
702.46924	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	702.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28925	0.4
53.03939	0.6
55.01894	0.5
62.48090	0.4
65.61124	0.5
69.03418	1.4
70.75691	1.1
70.76025	0.9
71.63711	0.4
79.05510	0.7
81.03421	0.8
85.02906	2.7
91.05484	4.7
94.04158	0.7
95.04969	1.5
97.02891	0.6
102.70567	0.5
103.05470	6.8
105.07043	1.3
107.04952	1.7
109.06498	0.5
115.05436	1.1
117.07040	1.7
119.04974	3.4
121.06487	2.0
122.03641	1.6
128.06247	0.6
129.07024	2.2
131.03940	1.0
131.04929	18.1
133.06464	1.0
134.07375	0.6
135.08029	1.8
136.05165	0.5
137.05981	28.2
143.08551	1.1
145.05066	0.5
145.06442	1.1
147.04442	0.5
148.05151	0.5
149.05956	2.4
151.07550	19.4
157.06480	2.4
161.06004	4.6
161.09628	0.7
162.06752	1.5
163.07550	44.4
165.09076	1.1
167.08586	1.5
171.08069	0.5
174.06773	0.8
175.07524	4.4
177.09113	100.0
178.07869	0.5
178.09447	1.6
179.08632	0.6
189.09093	5.4
193.10117	0.9
195.08066	3.8
195.10156	1.9
203.10681	0.6
207.08151	0.5
207.10104	1.1
209.09593	0.7
210.06767	0.6
212.08313	0.7
219.10179	1.1
221.05995	1.7
221.09660	2.0
221.11723	23.5
222.12262	0.5
223.07585	1.4
224.08293	0.6
225.09161	1.3
225.87628	0.4
227.10629	5.9
237.09081	0.9
249.09067	0.8
253.08481	2.3
253.12299	2.8
255.10181	4.9
265.08539	0.7
267.10269	1.2
269.08221	0.8
272.10443	0.7
281.11856	1.0
285.11249	3.6
287.12775	9.4
293.11914	1.0
299.13034	1.0
311.12732	3.0
313.14359	8.0
331.15408	35.3
332.15814	1.0
343.15451	5.5
366.57025	0.5
432.16669	0.5
718.47491	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28925	0.4
53.03939	0.6
55.01894	0.5
62.48090	0.4
65.61124	0.5
69.03418	1.4
70.75691	1.1
70.76025	0.9
71.63711	0.4
79.05510	0.7
81.03421	0.8
85.02906	2.7
91.05484	4.7
94.04158	0.7
95.04969	1.5
97.02891	0.6
102.70567	0.5
103.05470	6.8
105.07043	1.3
107.04952	1.7
109.06498	0.5
115.05436	1.1
117.07040	1.7
119.04974	3.4
121.06487	2.0
122.03641	1.6
128.06247	0.6
129.07024	2.2
131.03940	1.0
131.04929	18.1
133.06464	1.0
134.07375	0.6
135.08029	1.8
136.05165	0.5
137.05981	28.2
143.08551	1.1
145.05066	0.5
145.06442	1.1
147.04442	0.5
148.05151	0.5
149.05956	2.4
151.07550	19.4
157.06480	2.4
161.06004	4.6
161.09628	0.7
162.06752	1.5
163.07550	44.4
165.09076	1.1
167.08586	1.5
171.08069	0.5
174.06773	0.8
175.07524	4.4
177.09113	100.0
178.07869	0.5
178.09447	1.6
179.08632	0.6
189.09093	5.4
193.10117	0.9
195.08066	3.8
195.10156	1.9
203.10681	0.6
207.08151	0.5
207.10104	1.1
209.09593	0.7
210.06767	0.6
212.08313	0.7
219.10179	1.1
221.05995	1.7
221.09660	2.0
221.11723	23.5
222.12262	0.5
223.07585	1.4
224.08293	0.6
225.09161	1.3
225.87628	0.4
227.10629	5.9
237.09081	0.9
249.09067	0.8
253.08481	2.3
253.12299	2.8
255.10181	4.9
265.08539	0.7
267.10269	1.2
269.08221	0.8
272.10443	0.7
281.11856	1.0
285.11249	3.6
287.12775	9.4
293.11914	1.0
299.13034	1.0
311.12732	3.0
313.14359	8.0
331.15408	35.3
332.15814	1.0
343.15451	5.5
366.57025	0.5
432.16669	0.5
718.47491	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01876	4.8
55.05513	60.0
56.37108	1.5
57.03437	15.0
57.07065	1.9
59.04996	1.9
60.08143	2.1
61.02921	5.6
61.53589	1.5
65.03943	3.7
67.05508	64.8
69.03426	7.1
69.07067	16.0
71.04986	2.7
75.86639	1.7
79.05497	45.4
79.56829	1.5
81.03431	2.4
81.07058	54.2
83.04984	3.1
83.08625	28.9
85.02906	4.0
85.06538	2.9
86.09711	9.5
89.06019	3.2
91.05492	16.7
93.07050	39.2
95.04957	3.1
95.08614	33.6
97.02896	2.2
97.10172	68.0
98.20804	3.7
105.07041	13.9
107.08588	41.0
109.10172	14.3
111.08089	4.2
114.02614	1.5
117.07027	8.1
119.08564	11.2
121.10139	17.9
123.11693	5.5
124.99998	8.1
125.09631	71.1
131.08556	8.1
133.08609	2.2
133.10133	6.5
135.08076	4.6
135.11726	10.9
137.13232	1.7
143.10649	2.6
145.10074	7.9
147.11690	4.0
149.13284	5.8
153.09158	4.1
159.11714	6.0
161.13332	3.3
163.14816	3.0
171.10190	5.6
173.13275	5.3
184.07367	32.1
187.14861	2.7
189.11227	49.6
212.07687	1.7
227.12796	83.6
227.20099	7.1
243.21149	7.5
245.13858	100.0
261.22134	27.5
306.82578	1.6
317.24753	4.6
335.25809	99.9
336.26157	2.8
431.31546	1.9
487.34210	5.9
505.35245	65.6
506.35416	2.3
511.80429	2.0
523.36432	2.3
604.41058	1.7
671.27106	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	701.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12430	0.4
67.05495	0.5
71.08629	0.4
71.11722	0.8
79.05489	0.7
81.07086	0.5
82.39516	0.4
86.09737	0.5
89.06029	0.4
91.05466	0.5
93.07088	0.5
93.22591	0.4
93.71758	0.4
95.08601	0.5
181.43105	0.4
184.07346	1.2
211.12572	0.6
211.15022	0.4
223.12271	0.5
224.13234	0.5
225.13977	0.8
228.68771	0.5
235.12314	0.5
237.13936	0.5
238.14700	0.8
251.15475	0.6
261.13919	0.4
262.14313	0.4
275.15402	0.8
280.74472	0.4
296.42285	0.4
308.74673	0.4
352.18353	0.5
365.17398	0.5
378.18326	0.5
381.20941	0.8
391.19281	0.7
393.21268	0.6
407.22745	0.8
408.19595	0.6
409.20389	1.8
420.19971	0.6
421.20206	0.8
423.17792	0.5
423.22104	5.7
435.17175	0.5
435.22025	1.3
436.22913	0.7
437.24081	2.2
438.24612	2.0
439.21585	0.6
446.20453	0.5
449.18948	0.5
449.24155	0.9
451.21643	0.7
453.23108	1.3
462.20837	0.5
463.21292	1.8
464.22324	0.8
465.23013	0.9
467.24625	0.7
469.25592	0.6
475.21454	0.8
476.22006	0.5
477.24094	0.5
479.20236	0.4
479.24829	0.5
491.20273	1.0
492.21619	1.5
493.21985	0.9
496.24344	0.7
497.25330	0.8
507.24161	0.7
509.21008	0.5
511.26849	1.4
519.24249	1.1
522.25970	0.7
523.27802	2.7
524.27655	1.2
525.25177	0.6
529.28027	0.5
535.23724	0.7
539.26672	1.5
540.27008	0.6
550.25397	0.5
551.26886	3.2
553.02759	0.4
553.24683	0.9
555.28741	0.5
561.25830	0.4
566.25940	0.4
567.25879	1.7
571.29016	0.9
578.25122	0.7
579.25928	3.9
581.27252	0.7
583.28992	0.5
589.48364	0.7
591.26727	0.6
595.25629	0.7
609.26721	0.8
610.27777	1.0
611.28748	6.3
612.29120	0.5
637.26874	1.0
641.28992	0.5
655.27502	3.1
669.29230	17.8
670.29810	1.8
701.31824	100.0
702.32019	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	701.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13780	0.5
50.37818	0.5
58.97827	0.5
60.03902	0.4
67.05519	1.0
69.07081	0.7
69.84734	1.3
69.85152	1.7
79.05533	0.4
81.07042	0.9
81.59845	0.5
88.60126	0.5
95.08607	0.8
103.53768	0.5
105.07086	0.5
107.93264	0.5
126.45589	0.5
163.40262	0.5
164.84004	0.5
193.15971	0.6
218.28931	0.5
223.12347	1.0
225.13957	0.6
237.13905	1.2
239.15515	0.9
261.13828	0.9
265.13461	0.8
379.19495	0.8
391.19113	0.7
407.22549	0.8
409.20224	1.4
419.18213	0.7
420.19858	1.5
421.20203	0.7
423.21890	7.0
433.20526	0.6
435.22122	1.2
436.22736	1.0
437.23611	3.7
438.24109	1.7
444.20062	0.6
446.21075	0.7
447.21945	1.1
448.18878	0.9
449.24026	1.1
452.22562	0.7
463.21057	1.6
465.23062	1.0
467.24637	0.6
475.21365	1.9
477.23343	1.1
479.24591	0.9
480.21921	1.5
483.09369	0.6
490.19568	0.7
491.21115	1.8
492.21777	1.1
493.22192	1.3
495.23904	0.8
496.24826	0.9
497.25522	0.7
505.22226	1.2
507.23898	1.3
509.25833	0.9
521.24963	1.1
523.27612	4.4
524.27661	1.5
525.28632	0.8
533.26202	0.7
537.25122	0.6
539.26447	1.0
545.25360	0.6
549.25647	0.7
550.25482	0.6
551.26758	3.8
553.25061	1.2
555.29803	0.7
561.25562	1.3
563.23077	0.8
567.26025	0.7
577.24609	1.5
578.24823	1.0
579.26251	4.9
581.26550	0.9
589.24951	0.8
593.27509	1.0
595.25763	1.2
605.24127	1.3
609.27045	1.6
610.27264	0.7
611.28943	5.6
637.26575	3.1
651.28186	9.2
652.28992	0.9
655.27417	1.9
669.29187	27.5
670.29889	3.5
683.29913	1.2
701.31830	100.0
702.32080	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	702.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
57.03424	0.3
57.23050	0.2
61.02927	0.3
69.03416	0.4
71.24256	0.4
72.29379	0.2
82.53546	0.2
85.02904	3.5
85.44209	0.2
88.66946	0.2
91.03965	0.2
91.05464	1.0
97.02911	1.0
102.74899	0.2
103.05486	0.3
115.05441	1.1
127.03883	0.6
128.06212	1.2
129.07016	6.7
131.04930	1.0
131.07588	0.4
131.08577	6.4
133.10165	0.3
137.05995	2.1
141.07007	4.5
143.04921	0.3
143.08554	0.6
144.05688	0.6
145.04971	0.7
145.06468	0.9
147.04407	0.2
151.07553	0.5
157.06485	6.5
158.07277	2.5
159.08058	5.0
160.05190	0.8
161.09595	0.6
163.06099	0.4
163.07576	0.6
169.06493	2.8
169.07759	0.2
170.07318	1.3
173.05942	0.3
174.06773	12.9
175.07536	2.8
177.09146	0.5
186.06757	2.9
187.07489	0.6
188.08331	0.6
189.09120	24.8
190.09485	0.3
191.10670	2.1
201.09120	9.3
203.10646	0.5
207.10152	0.9
219.10170	100.0
220.10524	1.6
237.11205	1.6
381.15436	0.7
403.85892	0.3
456.48880	0.2
714.20538	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48919	1.1
53.03929	3.7
55.01867	1.1
55.05515	14.9
57.03443	12.2
57.07064	3.0
58.23321	0.9
61.02911	3.3
65.03933	3.0
66.81315	1.0
67.05511	68.8
69.03422	1.8
69.07070	8.3
71.05004	7.3
71.08614	1.6
71.52208	1.5
79.05499	24.8
81.03423	1.5
81.07063	100.0
83.04984	1.9
83.08612	4.7
85.02897	4.2
85.06551	9.7
86.09706	1.5
91.03986	1.3
91.05487	18.0
93.07046	25.5
95.04957	1.8
95.08614	25.5
97.02904	2.7
97.06525	2.2
97.10188	2.6
99.08102	1.3
105.07037	11.9
107.08599	17.0
109.10159	12.5
112.10088	1.2
117.07018	3.1
119.08575	6.6
121.10148	12.8
123.11704	13.0
131.08580	5.8
133.10141	12.2
135.11682	8.2
136.06183	2.7
139.11206	1.3
145.10138	4.1
147.11674	4.1
149.13252	3.0
151.11223	5.1
159.11790	2.7
160.84155	1.0
161.13248	1.8
163.14842	1.3
169.12241	3.3
171.72549	1.0
173.13274	3.1
175.14737	1.1
184.07295	3.3
187.13306	12.7
187.14822	1.7
188.17947	1.0
201.16373	1.1
203.12857	1.2
241.14363	2.6
243.15944	73.4
243.21184	3.6
244.16328	1.2
261.22205	11.2
296.65530	1.1
317.24704	2.9
330.42252	1.1
335.25827	69.9
336.26205	1.3
379.15613	1.0
411.32672	1.0
429.33667	1.5
485.35873	1.0
503.37408	53.4
504.37558	1.4
521.38220	1.7
623.68073	1.3
665.43903	1.8
700.44537	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	699.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.7
63.31900	1.2
63.54486	1.3
67.05501	5.4
69.07071	2.4
71.51752	2.2
79.05499	3.8
81.07056	5.7
83.08557	1.5
91.05488	3.3
92.66677	1.2
93.07054	3.9
95.04984	1.3
95.08591	2.9
105.06994	2.3
109.10162	1.7
119.08565	2.6
120.08121	1.6
121.10181	2.3
156.90086	1.3
178.04971	2.1
211.12207	1.5
221.10904	1.4
222.11467	1.6
223.12349	2.2
235.12282	1.3
237.10344	1.7
237.13913	3.3
253.13422	2.0
265.09818	2.3
295.14362	2.0
325.11945	2.1
337.27225	2.2
341.11771	1.6
401.18008	1.6
404.17349	1.7
417.16812	2.5
426.14795	1.7
427.15598	1.5
431.18463	2.6
441.17078	1.8
444.15533	1.8
457.16272	2.9
459.17706	3.0
471.21823	4.6
472.18542	1.5
473.19568	5.0
484.18826	1.9
487.21045	4.5
489.19168	1.6
490.20227	1.8
491.20889	3.0
499.21750	9.8
501.19455	8.6
502.20010	3.1
515.20764	13.0
516.21661	10.8
517.22150	3.1
526.19763	4.0
527.20667	5.4
529.22400	1.6
531.19830	1.5
533.21631	5.3
542.23468	3.0
543.20343	3.1
547.23358	4.8
575.22913	12.8
579.25531	2.0
586.22546	8.5
607.25079	4.7
617.23938	15.1
618.24426	3.6
635.25055	100.0
636.25494	6.6
649.26624	56.2
650.26782	3.7
667.27698	33.0
668.28326	1.6
699.30750	2.9
699.43823	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	699.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.2
55.05498	2.0
57.07055	1.1
60.08149	0.9
60.13612	1.0
67.05518	5.0
68.05842	0.9
69.07088	1.8
71.51872	1.4
75.04482	5.8
79.05509	6.0
81.03416	2.3
81.07052	5.0
83.08657	1.2
86.09712	2.1
91.05472	3.1
91.22670	1.5
93.07050	4.1
95.04973	1.5
95.08624	2.7
105.07040	2.1
106.06557	1.4
107.08620	3.5
109.10167	2.7
113.64264	1.0
119.08588	2.4
120.08146	1.3
121.10172	2.1
125.00015	1.7
133.10153	1.1
134.06042	8.8
135.11771	1.4
136.05174	2.0
136.06201	29.4
136.07222	1.9
137.06578	2.9
150.09114	1.3
178.04964	1.2
184.07384	9.3
185.07242	1.8
210.11559	1.1
211.08769	1.4
222.94139	1.1
223.08772	1.7
225.10347	1.3
225.13843	1.1
239.11841	1.7
240.12630	1.6
249.10406	1.6
251.08264	1.9
253.13429	2.4
255.15047	2.0
265.09683	1.7
265.13480	1.3
275.08328	2.2
297.12341	1.2
300.11377	1.3
302.12949	1.7
313.12039	1.3
314.12732	2.0
328.11215	1.0
328.14670	2.4
330.16214	1.4
335.25916	1.4
337.12427	1.0
338.12973	2.1
339.13660	1.8
340.10886	1.1
340.14618	2.3
341.11462	1.2
342.12570	2.1
344.14218	1.7
352.14648	1.5
354.12515	1.5
364.14557	1.5
366.12415	1.1
367.13083	1.5
368.13962	1.3
380.13962	1.8
384.13742	1.6
398.15384	2.0
402.14630	1.8
403.15292	2.1
405.17416	1.3
414.14700	2.2
416.16370	2.5
417.17056	2.0
419.14941	1.3
429.17139	2.0
430.18161	1.9
431.18970	2.5
441.17401	1.7
444.15802	1.5
445.16309	1.4
447.17978	1.3
457.16681	1.4
458.17422	1.6
461.19791	1.7
462.20959	1.2
472.18823	1.2
473.19769	2.1
477.19397	2.0
487.21368	1.8
489.19830	1.3
490.20282	1.8
491.20471	1.5
501.19409	3.6
505.22183	1.5
507.20667	1.6
515.20575	2.8
516.21454	3.3
518.19189	2.2
519.19672	1.4
528.17682	1.4
532.20575	1.5
533.22009	4.1
543.20776	1.1
547.23248	4.6
548.24231	1.6
549.22235	1.4
575.22894	1.9
579.25916	1.7
592.22833	5.2
593.23773	1.3
596.22363	1.7
607.25598	4.5
617.24103	11.5
618.24304	1.3
625.26746	2.6
635.24896	14.3
639.28058	6.6
642.33276	1.1
649.26697	17.3
650.26093	1.3
667.27673	100.0
668.27960	10.7
699.30298	37.5
699.44073	3.2
700.30627	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	698.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.5
55.01867	10.3
55.05514	41.0
56.25165	2.7
57.03429	9.7
57.07067	7.9
62.56946	2.9
65.03908	2.9
67.05509	100.0
69.07072	31.7
69.56358	16.1
70.06622	2.8
71.04990	6.5
71.08633	28.6
79.05076	4.0
79.05502	69.3
81.03407	11.0
81.07063	96.7
83.04978	14.9
83.08611	18.9
85.06533	4.1
91.05492	61.5
93.06484	5.3
93.07047	76.4
95.04966	18.8
95.08617	57.6
97.06530	11.0
97.10178	13.7
99.08098	24.9
105.04513	3.0
105.07035	41.3
107.04941	5.1
107.08597	41.3
109.06516	9.9
109.10170	21.0
111.08068	9.1
112.49329	2.6
113.09669	3.0
117.07021	19.0
119.08582	29.2
121.06490	3.7
121.10162	24.0
123.08057	5.0
123.11684	6.5
125.09615	7.8
128.06236	2.9
129.06992	8.4
131.08577	26.0
133.10153	21.9
135.08032	4.8
135.11707	13.9
136.06195	2.9
139.11137	4.3
141.12691	3.2
143.08569	7.8
145.10158	16.4
147.11684	12.1
149.13278	23.6
151.11174	26.2
155.08565	3.6
157.10095	3.1
159.11729	17.4
161.09688	3.4
161.13252	12.2
163.11172	14.4
169.10197	4.8
169.60478	2.9
171.11754	4.1
173.11757	3.0
173.13142	3.7
175.11226	4.0
175.14691	3.7
177.12770	8.5
179.14337	7.8
183.11674	4.4
184.07387	2.8
185.13268	3.7
189.11226	4.0
191.14479	3.0
195.13797	9.6
199.14864	3.2
227.12752	9.8
235.61523	2.8
241.19411	4.3
259.20575	6.9
269.17551	31.7
277.21609	31.1
351.25330	29.7
367.24921	4.2
431.28024	3.3
435.32278	3.7
445.29337	4.6
453.33209	3.6
463.30518	32.4
471.34174	4.7
517.38348	3.3
527.37439	7.4
545.38306	42.9
563.39020	4.3
627.46265	4.3
698.43903	3.9
699.43512	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	699.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.2
55.05498	2.0
57.07055	1.1
60.08149	0.9
60.13612	1.0
67.05518	5.0
68.05842	0.9
69.07088	1.8
71.51872	1.4
75.04482	5.8
79.05509	6.0
81.03416	2.3
81.07052	5.0
83.08657	1.2
86.09712	2.1
91.05472	3.1
91.22670	1.5
93.07050	4.1
95.04973	1.5
95.08624	2.7
105.07040	2.1
106.06557	1.4
107.08620	3.5
109.10167	2.7
113.64264	1.0
119.08588	2.4
120.08146	1.3
121.10172	2.1
125.00015	1.7
133.10153	1.1
134.06042	8.8
135.11771	1.4
136.05174	2.0
136.06201	29.4
136.07222	1.9
137.06578	2.9
150.09114	1.3
178.04964	1.2
184.07384	9.3
185.07242	1.8
210.11559	1.1
211.08769	1.4
222.94139	1.1
223.08772	1.7
225.10347	1.3
225.13843	1.1
239.11841	1.7
240.12630	1.6
249.10406	1.6
251.08264	1.9
253.13429	2.4
255.15047	2.0
265.09683	1.7
265.13480	1.3
275.08328	2.2
297.12341	1.2
300.11377	1.3
302.12949	1.7
313.12039	1.3
314.12732	2.0
328.11215	1.0
328.14670	2.4
330.16214	1.4
335.25916	1.4
337.12427	1.0
338.12973	2.1
339.13660	1.8
340.10886	1.1
340.14618	2.3
341.11462	1.2
342.12570	2.1
344.14218	1.7
352.14648	1.5
354.12515	1.5
364.14557	1.5
366.12415	1.1
367.13083	1.5
368.13962	1.3
380.13962	1.8
384.13742	1.6
398.15384	2.0
402.14630	1.8
403.15292	2.1
405.17416	1.3
414.14700	2.2
416.16370	2.5
417.17056	2.0
419.14941	1.3
429.17139	2.0
430.18161	1.9
431.18970	2.5
441.17401	1.7
444.15802	1.5
445.16309	1.4
447.17978	1.3
457.16681	1.4
458.17422	1.6
461.19791	1.7
462.20959	1.2
472.18823	1.2
473.19769	2.1
477.19397	2.0
487.21368	1.8
489.19830	1.3
490.20282	1.8
491.20471	1.5
501.19409	3.6
505.22183	1.5
507.20667	1.6
515.20575	2.8
516.21454	3.3
518.19189	2.2
519.19672	1.4
528.17682	1.4
532.20575	1.5
533.22009	4.1
543.20776	1.1
547.23248	4.6
548.24231	1.6
549.22235	1.4
575.22894	1.9
579.25916	1.7
592.22833	5.2
593.23773	1.3
596.22363	1.7
607.25598	4.5
617.24103	11.5
618.24304	1.3
625.26746	2.6
635.24896	14.3
639.28058	6.6
642.33276	1.1
649.26697	17.3
650.26093	1.3
667.27673	100.0
668.27960	10.7
699.30298	37.5
699.44073	3.2
700.30627	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	696.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14896	1.4
54.88638	1.5
55.05515	13.6
57.03436	5.8
57.07082	10.1
57.73767	1.6
58.51622	1.5
61.02934	24.2
67.05510	60.3
69.03433	2.3
69.07080	15.1
70.65622	2.5
70.65935	3.2
71.08623	4.5
73.02924	7.8
75.04484	2.0
75.37515	1.6
79.05495	17.6
81.07060	75.0
83.04972	2.2
83.08630	15.4
85.02907	30.5
85.06558	2.9
85.10147	2.0
91.03955	22.2
91.05479	13.9
93.07048	20.5
95.05025	2.1
95.08618	64.5
97.02901	12.3
97.06535	7.4
97.10172	9.1
99.08085	3.2
105.07027	9.6
105.96821	1.5
107.08603	13.3
109.10175	38.6
109.10922	2.2
111.08121	3.1
111.11731	4.4
113.09639	2.1
116.40107	1.7
119.08578	11.1
120.60187	1.5
121.10150	19.6
123.04452	1.4
123.08077	2.1
123.11713	15.3
127.03916	10.3
127.11211	2.1
133.10143	12.6
135.11702	12.0
137.13240	5.7
139.11227	1.9
141.12756	3.5
145.04996	11.9
147.11745	9.8
149.13283	10.5
151.14822	5.6
151.16090	1.7
153.12694	2.2
155.14352	4.9
161.13261	12.6
163.06021	22.7
163.14844	13.0
165.16434	9.3
175.14848	7.5
179.14346	1.8
179.17924	9.3
189.16408	4.4
245.22670	68.9
247.24341	2.1
263.23718	100.0
264.24136	2.4
265.25284	2.4
281.24704	2.5
300.79694	1.5
337.27362	43.4
355.28595	8.8
361.72034	1.7
432.22668	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	695.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.4
57.03439	0.6
59.04982	1.4
59.11571	0.5
67.05495	0.8
69.03421	2.6
69.07085	0.6
70.06567	0.6
70.77266	0.8
70.77586	0.7
73.29234	0.6
78.75531	0.5
79.05486	1.1
81.07059	1.5
83.01337	0.6
85.02904	1.0
85.06516	1.6
87.04484	1.1
91.05483	0.8
93.07037	1.1
95.08630	2.4
97.02887	1.9
105.07030	2.0
107.08585	2.2
109.06525	1.0
117.07033	0.6
119.08575	0.9
121.06499	6.8
123.04450	0.7
123.08060	1.6
125.09643	2.8
127.03914	0.5
129.06979	0.5
131.08580	0.6
135.08028	2.2
137.05988	11.3
143.08516	1.0
143.10698	3.0
145.06619	0.6
145.10147	3.5
147.08055	1.3
149.06039	2.6
149.09630	1.0
151.07549	20.3
158.07269	0.8
159.08081	0.8
160.05196	0.6
161.05968	1.8
161.09576	1.2
162.06775	0.9
163.07545	7.6
163.11171	5.3
173.09604	2.1
174.06822	1.1
175.06046	1.1
175.07556	17.0
175.11165	1.6
176.08273	2.8
177.09109	7.8
188.08356	1.8
189.09125	9.4
191.10681	100.0
192.11026	1.9
202.09961	0.7
203.10605	0.8
205.12254	1.2
209.11774	3.8
213.12856	0.8
215.14244	1.0
219.13643	0.8
231.13811	25.6
232.14165	0.9
233.15274	0.6
249.14865	28.4
250.15175	0.7
257.17517	0.5
272.03912	0.5
273.14774	0.6
289.18076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.2
54.38054	2.3
55.01868	10.1
55.05510	33.7
57.03440	13.6
57.07072	3.5
60.88914	2.4
62.61572	2.7
65.03941	4.6
67.05511	100.0
69.03419	4.0
69.07069	46.9
70.90195	4.5
70.90516	4.7
71.04996	5.5
74.09696	2.6
79.05502	84.7
81.03407	9.3
81.07061	94.6
83.04990	15.2
83.08610	16.4
84.04491	3.5
85.06551	3.8
86.09721	12.6
91.05488	80.1
93.07056	80.6
95.04978	15.9
95.08611	51.8
97.06535	17.7
97.10182	10.9
99.08105	3.8
99.88309	2.7
103.05498	3.5
105.04604	3.4
105.07033	62.4
107.04956	10.8
107.08595	46.3
109.06519	11.5
109.10155	20.7
110.51381	2.6
111.08089	8.3
115.05453	4.5
116.49231	2.5
117.07031	27.2
119.08588	50.2
121.06527	7.0
121.10153	28.8
123.08071	6.7
123.11712	9.7
125.00030	7.8
125.09615	4.2
128.06273	4.7
129.07021	13.9
130.07802	4.5
131.08572	34.0
133.10153	40.2
135.08081	7.7
135.11702	22.4
137.09644	8.2
141.48662	2.7
143.08582	11.1
145.10121	29.5
147.08084	4.7
147.11691	16.1
149.09627	20.5
149.13275	17.3
149.28400	2.9
151.11119	6.3
155.08559	5.5
157.10165	11.9
159.11682	21.6
161.09666	3.3
161.13327	5.0
163.11197	9.4
165.12810	5.8
169.10129	7.4
171.11705	10.4
173.13289	9.5
175.11147	3.7
177.12741	6.9
179.14323	4.1
181.10146	4.0
183.11708	6.7
183.14078	3.4
184.07367	35.2
185.13239	5.8
193.12195	3.7
195.13733	6.8
197.13232	4.6
199.14861	3.6
201.16533	3.4
207.11864	3.2
219.17567	3.2
227.12738	8.7
239.18044	5.3
247.20721	4.9
253.14441	3.5
255.15956	7.8
257.19080	12.4
267.16025	5.1
269.17444	19.6
275.20123	42.6
297.17422	2.7
349.23669	22.4
367.24289	4.5
449.29138	16.5
449.35480	2.8
463.30649	19.2
529.34735	7.7
543.36987	16.8
623.43604	3.3
694.48865	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	694.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.2
54.38054	2.3
55.01868	10.1
55.05510	33.7
57.03440	13.6
57.07072	3.5
60.88914	2.4
62.61572	2.7
65.03941	4.6
67.05511	100.0
69.03419	4.0
69.07069	46.9
70.90195	4.5
70.90516	4.7
71.04996	5.5
74.09696	2.6
79.05502	84.7
81.03407	9.3
81.07061	94.6
83.04990	15.2
83.08610	16.4
84.04491	3.5
85.06551	3.8
86.09721	12.6
91.05488	80.1
93.07056	80.6
95.04978	15.9
95.08611	51.8
97.06535	17.7
97.10182	10.9
99.08105	3.8
99.88309	2.7
103.05498	3.5
105.04604	3.4
105.07033	62.4
107.04956	10.8
107.08595	46.3
109.06519	11.5
109.10155	20.7
110.51381	2.6
111.08089	8.3
115.05453	4.5
116.49231	2.5
117.07031	27.2
119.08588	50.2
121.06527	7.0
121.10153	28.8
123.08071	6.7
123.11712	9.7
125.00030	7.8
125.09615	4.2
128.06273	4.7
129.07021	13.9
130.07802	4.5
131.08572	34.0
133.10153	40.2
135.08081	7.7
135.11702	22.4
137.09644	8.2
141.48662	2.7
143.08582	11.1
145.10121	29.5
147.08084	4.7
147.11691	16.1
149.09627	20.5
149.13275	17.3
149.28400	2.9
151.11119	6.3
155.08559	5.5
157.10165	11.9
159.11682	21.6
161.09666	3.3
161.13327	5.0
163.11197	9.4
165.12810	5.8
169.10129	7.4
171.11705	10.4
173.13289	9.5
175.11147	3.7
177.12741	6.9
179.14323	4.1
181.10146	4.0
183.11708	6.7
183.14078	3.4
184.07367	35.2
185.13239	5.8
193.12195	3.7
195.13733	6.8
197.13232	4.6
199.14861	3.6
201.16533	3.4
207.11864	3.2
219.17567	3.2
227.12738	8.7
239.18044	5.3
247.20721	4.9
253.14441	3.5
255.15956	7.8
257.19080	12.4
267.16025	5.1
269.17444	19.6
275.20123	42.6
297.17422	2.7
349.23669	22.4
367.24289	4.5
449.29138	16.5
449.35480	2.8
463.30649	19.2
529.34735	7.7
543.36987	16.8
623.43604	3.3
694.48865	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	693.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
55.05501	1.3
58.57606	0.6
67.05499	0.9
70.06556	1.3
70.24399	0.6
70.62122	1.2
70.62460	0.9
74.46326	0.6
75.35952	0.5
82.06569	0.7
84.08121	0.8
89.58261	0.8
90.27199	0.6
93.07044	0.8
94.06512	1.4
96.08130	1.5
97.02879	2.3
97.06515	2.1
98.03204	0.6
108.08083	1.3
110.06024	1.0
110.09648	1.7
116.04966	2.0
120.08111	1.4
122.06020	3.5
124.07546	2.8
134.05963	0.8
136.07545	2.1
138.05521	0.7
138.09119	2.2
144.04466	4.5
145.64026	0.5
146.06035	0.7
149.07097	1.1
150.05486	2.4
152.07045	2.2
158.09665	1.3
160.07581	0.6
162.05496	2.0
164.07092	0.7
166.08678	3.5
170.09718	0.7
172.03949	21.1
172.07515	1.0
174.05391	0.7
174.09207	0.8
175.08708	1.0
176.06946	0.7
183.06689	0.9
186.09175	7.2
187.08647	1.2
188.09422	0.8
189.10088	0.7
190.04988	3.0
196.07649	0.8
198.09123	1.3
200.10699	1.3
201.10216	0.9
202.08873	0.8
202.11008	2.9
203.11830	6.3
204.06578	27.9
211.07120	0.7
213.10242	2.5
214.06728	1.0
214.08644	11.2
215.08156	4.2
216.08698	0.7
217.09787	0.9
227.11797	1.0
228.10201	4.4
229.09659	1.2
230.10493	2.3
231.11348	5.8
241.09706	2.4
242.08160	1.9
243.11176	0.6
245.09235	1.8
245.12822	1.1
247.10732	0.9
255.11299	5.2
256.09683	3.5
257.12881	1.9
258.10132	0.7
259.10785	82.4
273.12323	7.8
276.08780	0.6
283.10794	2.9
301.11838	61.7
302.12241	1.7
319.12891	100.0
320.13339	2.6
325.11810	4.8
335.12576	0.9
337.13965	21.2
357.14523	2.9
521.97522	0.7
657.25958	1.1
675.26617	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	692.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
53.67044	1.5
55.01869	6.1
55.05517	33.1
57.03432	17.7
57.07073	2.8
59.04999	3.3
61.02932	10.8
65.03937	3.4
67.05508	100.0
69.03425	6.2
69.07074	19.2
71.01350	2.7
71.05000	5.7
71.09975	2.3
71.10399	1.2
73.02934	6.6
73.03281	1.2
79.05502	40.7
81.03060	1.2
81.03433	12.9
81.07065	70.1
83.04972	9.8
83.08623	21.8
85.02911	16.4
85.06545	4.5
87.04462	5.7
88.22393	1.2
91.03955	2.0
91.05486	29.7
93.06486	2.2
93.07053	38.3
95.04996	6.3
95.08614	22.9
97.02889	7.2
97.06532	10.5
97.10168	15.8
105.07040	13.2
107.04964	5.3
107.07879	1.9
107.08598	30.4
109.06491	3.2
109.10166	48.8
111.04427	3.1
111.08080	5.7
113.05989	1.5
117.07021	9.2
118.29939	1.2
119.08608	10.4
121.06509	3.5
121.10140	11.4
123.08076	3.6
123.11744	2.6
125.09635	14.3
126.96027	1.1
127.03897	1.3
129.05478	3.8
129.06952	1.3
131.08588	10.2
133.10118	10.5
135.08061	2.5
135.11707	9.6
137.09682	2.7
143.07098	1.6
143.10683	2.7
145.10126	3.9
147.08076	2.2
147.11696	4.1
149.09608	3.0
149.13275	15.0
151.11113	2.7
153.12732	3.6
155.08557	1.5
155.10689	5.6
157.10147	2.3
159.11684	6.5
163.11206	9.7
165.12747	1.3
173.09618	2.2
173.10344	1.4
173.11765	15.0
177.12755	4.6
181.12337	3.0
190.14758	1.1
191.10660	2.3
193.12253	4.1
195.13834	14.8
199.13264	6.9
209.11760	8.5
211.13280	3.5
213.14836	3.2
219.42120	1.4
227.12756	8.1
229.14374	51.5
239.16513	2.2
267.13455	1.4
267.15924	9.3
269.17484	54.0
283.15399	6.3
297.16824	1.4
301.16476	16.8
305.41821	1.2
393.26373	2.8
411.27380	4.6
423.27475	29.6
477.28442	2.6
495.29599	56.3
496.30203	1.5
513.30634	27.2
669.43341	1.5
715.34106	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.6
55.01884	9.0
55.05515	37.0
57.03432	18.8
57.07084	1.9
59.04992	3.2
61.02935	8.4
65.03936	2.5
67.05510	100.0
69.03420	5.9
69.07076	19.9
71.01348	2.3
71.04995	5.8
71.09146	2.8
71.09481	1.5
73.02916	7.1
78.44761	1.3
79.05024	1.3
79.05498	42.7
81.03428	17.1
81.07060	73.0
83.04979	12.5
83.08625	23.8
85.02911	17.2
85.06531	5.0
87.04467	5.4
91.03957	4.4
91.05482	30.0
93.06480	2.9
93.07047	43.8
95.04993	8.9
95.08612	27.1
97.02879	10.1
97.06531	13.3
97.10177	17.1
99.08092	2.1
99.36089	1.5
105.07040	14.2
107.04967	6.6
107.08592	31.2
109.06515	4.1
109.10162	60.2
111.04442	3.0
111.08112	8.6
116.04734	1.5
117.07018	9.9
119.08610	11.8
121.06485	2.1
121.10153	12.6
123.08075	2.3
123.11697	5.6
125.09628	16.3
127.03910	1.9
129.05463	6.6
129.07028	3.0
131.08563	10.3
133.06606	1.4
133.10172	12.3
135.08043	3.3
135.11708	12.4
137.09622	4.6
139.11186	1.7
143.10654	3.4
145.10150	5.6
147.08035	2.7
147.11693	6.3
149.13249	13.3
151.11249	1.9
153.12706	2.8
155.10643	6.1
157.10138	1.9
159.11703	9.4
163.11169	11.7
169.10201	1.4
173.09543	1.6
173.11751	16.4
173.13173	2.1
175.11127	1.7
177.12720	6.9
181.12248	3.5
191.10724	3.8
193.12245	5.8
195.13799	17.0
199.13277	7.7
209.11708	10.1
211.13252	4.4
213.14848	2.8
227.12785	8.9
229.14363	56.0
239.16403	3.3
267.15887	8.8
269.17496	61.9
270.17908	2.7
283.15433	5.6
292.57474	1.4
294.49088	1.5
301.16452	20.9
316.79739	1.3
357.24249	1.6
393.26193	2.2
411.27249	6.5
422.26578	1.8
423.27417	35.0
431.27786	2.2
477.28387	2.4
495.22345	2.9
495.29565	55.3
513.30603	25.0
668.90912	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	14.1
55.01865	7.9
55.05518	39.7
57.03449	13.2
57.07065	4.7
65.03927	3.6
67.05513	75.9
69.03433	23.4
69.07078	40.3
71.05003	11.0
71.08620	2.2
73.02901	4.7
76.78706	2.2
79.05500	72.0
81.03426	39.2
81.07065	100.0
83.04990	23.8
83.08624	29.6
85.02900	9.3
85.06536	3.9
86.09724	3.3
91.05489	47.8
93.07053	79.4
95.04974	15.3
95.08615	69.8
96.08960	2.0
97.02894	17.4
97.06522	11.4
97.10148	13.6
98.98470	6.3
99.04464	7.4
101.38309	2.3
101.76122	2.4
103.05492	3.7
105.04558	2.4
105.07038	32.7
107.04958	8.8
107.08607	49.7
109.02864	6.7
109.06509	8.0
109.10159	21.7
111.04453	7.7
111.08068	7.2
115.05413	3.1
117.07046	20.1
119.08601	28.2
121.06489	5.8
121.10139	26.1
123.08109	3.0
123.11716	13.1
125.09696	3.3
127.03931	5.6
127.07566	2.3
128.06189	2.3
129.05479	8.6
129.07005	9.8
131.08595	23.8
133.06461	2.3
133.10156	21.4
135.08051	7.4
135.11705	39.7
139.11310	2.1
141.07005	5.2
143.08583	10.3
145.10156	27.2
147.08087	4.1
147.11708	18.1
149.13290	18.6
155.08566	4.5
157.10133	7.0
159.11732	18.6
161.13263	4.4
163.11224	27.5
164.11523	2.6
165.12726	5.0
167.08549	3.1
169.10202	4.2
171.08002	3.3
171.11708	8.4
173.13246	6.5
175.11108	3.3
177.12747	5.5
179.14345	4.3
181.10204	3.0
181.12173	2.9
183.11682	5.2
184.07336	7.7
185.13268	4.8
187.14844	4.6
193.12062	3.0
195.11754	2.1
195.13800	9.0
197.13191	2.7
207.11577	2.6
209.13234	2.9
211.14851	2.5
213.14851	2.5
221.13103	2.0
223.14854	2.1
227.12788	35.3
229.53899	2.7
233.15622	2.6
237.22125	4.2
250.93861	2.1
259.20572	2.8
261.22232	6.0
266.93436	2.2
267.15924	6.4
269.17517	25.5
277.21875	2.8
283.15421	3.8
285.16843	2.2
285.22177	2.1
293.22641	2.9
301.21640	2.2
311.25610	3.8
335.25864	20.6
337.27530	3.6
339.18036	3.0
369.24237	6.0
387.25296	4.2
412.92520	2.5
413.21597	3.7
479.29758	4.6
519.36908	75.9
520.36926	5.5
529.38843	33.6
547.39642	4.3
593.45184	2.7
655.41644	4.7
673.42932	10.4
691.43671	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
59.26640	0.5
60.52725	0.4
69.60149	0.5
69.71018	3.0
70.30056	0.4
72.34198	0.5
72.86636	0.5
73.93693	0.5
77.44070	0.4
97.06556	1.3
98.20627	0.5
108.96091	0.5
126.26471	0.5
163.03958	0.6
173.02368	0.6
215.07053	0.8
259.09793	1.8
412.15878	0.6
413.16714	0.6
415.13950	0.8
428.15060	1.5
429.15656	0.7
442.16559	1.4
443.17148	0.5
455.13687	1.4
456.14130	0.8
457.19073	4.2
469.15778	0.6
469.44519	0.5
470.12457	1.8
483.12738	6.5
484.13770	11.7
485.13940	2.6
486.15625	0.8
496.17526	0.5
497.14142	5.7
498.15240	7.9
499.15735	2.9
510.18875	1.2
511.16159	2.6
512.17090	6.8
513.17749	26.3
514.18573	6.9
515.19275	0.9
523.16095	8.3
524.16339	0.7
525.17902	1.6
526.18408	2.4
527.19312	7.3
555.18689	4.0
556.19232	1.1
557.24243	0.8
569.20557	0.6
573.19946	0.7
599.21240	2.5
600.22272	1.6
601.22949	2.6
614.23578	1.5
632.20459	0.5
659.23566	1.9
660.24377	4.8
661.24023	0.9
673.25122	2.1
691.26160	100.0
692.26355	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	691.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79136	0.3
53.03945	0.7
55.01875	0.7
55.05521	1.7
57.03447	1.6
61.02933	4.5
67.05512	7.4
69.03436	2.8
69.07069	0.9
69.32848	2.8
71.01360	0.6
71.04996	0.5
73.02928	3.5
79.05491	2.5
81.03424	0.9
81.07059	3.3
83.04978	0.3
83.08621	0.7
85.02917	4.8
85.06551	0.5
91.03977	2.8
91.05503	1.3
93.07056	2.8
95.08600	2.3
97.02896	4.5
99.04482	0.8
101.02383	1.6
105.07037	0.7
107.08612	1.5
109.02892	0.9
109.10171	4.6
119.08598	1.0
121.10177	1.2
127.03967	1.0
131.08588	0.5
133.10254	0.3
135.11736	0.9
137.09705	0.4
155.10713	0.5
173.11847	0.6
173.13367	0.4
174.51602	0.4
184.07541	0.5
185.04242	0.4
195.10167	0.5
203.05382	0.6
210.88354	0.3
229.14273	0.6
243.08516	1.4
251.12524	0.4
335.25909	0.7
352.59448	0.3
372.44705	0.4
374.61322	0.3
413.17709	3.9
517.13763	0.3
519.29486	8.8
519.37006	1.0
691.40308	100.0
692.40564	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	690.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01870	0.7
55.05503	1.8
57.03434	0.6
61.02907	0.6
62.06087	0.8
65.53728	0.4
67.05510	3.8
68.99782	0.8
69.03433	5.0
69.07056	2.0
70.06593	0.9
71.04972	1.2
71.07396	0.6
71.08636	6.1
71.31037	0.7
72.08160	2.3
76.43407	0.4
79.05493	1.5
81.03418	4.8
81.07062	5.9
83.04975	0.9
83.08631	0.9
84.08144	2.1
85.02913	4.7
85.06527	0.4
86.06070	11.4
87.00830	1.8
87.04472	0.6
91.05493	2.5
93.07050	1.1
95.04935	1.2
95.08612	3.0
96.08142	3.1
97.02908	3.9
97.06520	2.3
98.06059	1.3
98.09700	4.9
99.04451	1.8
99.08106	4.0
103.03978	0.6
105.01885	0.8
105.07002	2.5
107.08601	1.4
108.08120	1.8
109.02873	3.5
109.06545	0.8
109.10149	0.5
113.08405	0.6
114.09220	0.7
116.10737	35.4
119.08603	2.9
120.08057	0.5
121.10118	0.8
122.09658	2.0
123.11725	1.1
124.07626	0.7
126.09131	0.8
127.03925	6.3
129.06992	0.9
129.22423	0.4
131.08566	0.6
133.10141	1.2
135.11722	0.5
140.10751	2.2
142.08681	0.7
142.12242	0.7
143.10725	2.2
145.04977	0.6
147.02867	0.5
147.11696	4.3
149.98183	0.4
154.12186	0.5
154.15926	3.6
157.10127	1.3
159.02934	0.5
164.14400	0.5
165.12712	1.2
166.15939	2.6
168.17435	0.8
173.02362	0.5
175.11282	1.1
178.15895	1.4
187.06050	0.6
187.13376	0.4
193.12245	1.4
196.16986	7.1
211.13297	1.3
213.03969	0.6
214.18031	100.0
215.18370	1.9
227.12622	0.6
229.14301	2.8
231.05022	0.8
259.09659	1.9
264.23175	0.6
266.21051	0.6
282.24246	1.4
284.22244	1.5
308.22238	1.9
326.23224	2.0
336.88257	0.5
342.23026	0.4
343.31931	0.4
344.24338	20.2
344.28546	1.0
345.24857	0.5
347.13028	0.8
376.23367	0.5
418.24255	1.9
424.30386	2.1
435.14474	0.5
442.31686	13.4
462.23343	30.8
463.23718	1.1
493.27579	0.9
506.29514	0.8
548.30676	1.7
592.29651	13.3
690.36914	7.3
691.36780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69561	1.9
53.03932	7.0
55.01869	5.4
55.05514	15.6
56.81513	1.7
57.03426	5.3
57.07075	3.4
64.48603	1.7
65.03933	3.5
65.85194	1.8
67.02254	1.6
67.05512	49.5
69.03439	16.6
69.07068	16.2
71.04997	25.6
74.59978	1.6
77.03940	2.0
79.05075	2.7
79.05499	36.5
81.03423	30.7
81.07063	47.4
83.04969	6.8
83.08614	7.7
85.02913	11.6
91.05489	35.0
93.07049	38.2
95.04966	11.3
95.08620	33.1
97.02890	15.6
97.06528	3.4
97.10186	4.2
98.98456	4.9
99.04444	3.1
105.07041	29.6
107.04951	5.8
107.08606	25.3
109.02888	6.9
109.06492	2.5
109.10156	19.1
111.04462	5.2
111.08006	2.3
115.05466	3.3
116.06239	3.0
117.07023	14.5
119.08590	19.6
121.06512	6.6
121.10136	19.5
123.08056	2.5
123.11680	5.9
127.03909	6.4
127.11204	100.0
128.11581	2.3
129.05515	2.6
129.07022	8.7
131.08557	17.7
133.06491	2.2
133.10139	13.9
134.37372	1.9
135.11703	14.0
137.06013	9.5
137.09631	3.4
138.92061	1.7
142.07855	1.9
143.08574	6.8
145.06511	3.1
145.10146	14.6
147.11711	9.5
149.09619	5.0
149.13271	6.1
151.07547	12.3
155.08588	3.0
157.10097	5.7
159.11668	9.7
161.13263	4.9
163.11182	5.9
169.10185	3.0
171.11700	6.2
173.09581	5.5
173.11882	2.6
173.13286	6.5
175.11148	2.1
177.09119	23.4
182.98489	1.8
183.11729	3.9
184.07350	9.8
185.13258	5.8
187.11230	2.2
187.14772	3.0
191.10661	6.8
197.13252	4.0
199.14828	3.6
209.11690	2.3
211.11191	2.1
215.14417	3.9
225.12749	2.9
227.12729	4.4
233.15359	26.7
251.16425	22.1
253.14381	2.2
261.22171	9.9
265.14481	2.0
277.21634	2.7
301.21765	2.6
303.23233	3.9
315.23291	3.1
317.17392	1.9
327.23492	1.7
331.22424	2.0
341.24597	4.3
351.23187	3.3
369.24185	8.5
382.15891	1.9
387.25092	5.9
402.73965	1.8
405.26328	5.4
487.31339	1.9
491.17752	2.3
519.36902	12.0
528.37695	2.4
597.25952	4.0
615.26776	3.0
628.28186	3.2
630.28406	5.0
658.28369	11.3
690.31024	19.7
690.41504	2.8
691.41913	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	689.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36533	4.2
53.03946	13.5
55.01878	11.8
55.05511	35.6
57.03441	7.6
57.66134	4.2
59.05009	6.4
65.03938	7.2
67.05178	8.8
67.05511	100.0
69.03436	21.2
69.07082	24.0
71.05000	15.0
71.51894	9.7
79.05491	78.8
81.03420	79.7
81.07059	81.3
83.04972	13.2
83.08613	22.9
85.02913	18.7
86.09719	7.5
89.47708	4.3
91.05492	70.4
93.07046	85.9
95.01379	5.7
95.04964	62.7
95.08608	60.2
97.02898	13.2
97.06533	11.0
97.10194	13.1
105.07035	50.9
107.04969	16.8
107.08603	40.8
109.02891	14.2
109.06485	6.7
109.10171	24.4
111.04468	11.6
111.08102	12.9
117.07042	22.8
118.87884	4.8
119.08585	37.3
121.02886	4.7
121.06504	9.2
121.10140	35.5
123.04452	20.4
123.08042	9.2
123.11723	7.5
127.03963	9.3
129.07025	17.7
131.08546	29.8
133.06505	6.7
133.10127	20.5
135.11668	25.0
137.27289	5.1
143.08612	11.7
145.10117	24.7
147.04408	12.1
147.08087	5.5
147.11665	24.7
149.05972	7.6
149.09520	5.5
149.13284	7.7
155.08577	6.6
157.10123	14.9
159.11736	10.3
163.11232	14.7
169.10181	6.4
171.11710	11.0
173.13211	6.2
175.11163	15.0
184.07336	12.7
191.10773	7.5
193.12245	39.6
201.12717	5.4
211.13278	46.2
217.12308	6.6
227.12700	6.1
235.13303	21.6
259.13394	10.0
261.22266	8.2
273.14908	11.5
285.16864	5.7
288.93692	5.3
301.14615	22.8
319.15408	7.5
320.90686	5.3
335.25916	30.4
339.00909	5.3
375.18582	7.3
393.19266	6.8
524.15613	5.4
569.37842	5.8
653.40076	9.9
689.32251	11.0
689.34149	7.1
689.42310	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.37
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01865	0.6
55.05503	1.5
57.01509	0.3
57.03422	0.5
61.02914	0.6
62.06081	0.6
63.21454	0.3
65.51065	0.3
67.05492	1.2
68.99802	0.5
69.03439	3.5
69.07061	1.5
70.06586	1.0
70.30800	0.9
70.31149	0.4
70.54982	0.3
71.04987	0.7
71.08633	4.8
72.08141	1.4
73.02898	0.8
79.05490	1.2
81.03420	3.2
81.07061	3.8
83.04958	0.4
83.08596	0.5
84.08128	1.2
85.02435	0.5
85.02911	4.1
86.05593	0.5
86.06075	6.7
86.26424	0.3
87.00821	1.3
90.24434	0.3
91.05485	1.6
92.60015	0.3
93.07039	0.6
94.33065	0.3
95.04978	0.4
95.08612	1.7
96.08137	2.8
97.02887	2.8
97.06516	1.2
98.06083	0.8
98.09699	2.8
99.04449	1.4
99.08092	2.6
102.86545	0.3
103.03948	0.4
105.01856	0.6
105.07021	1.4
107.08589	1.0
108.08136	1.7
109.02903	3.5
109.10168	0.6
114.09189	0.6
116.10738	21.1
119.08565	1.2
121.10133	0.8
122.09667	1.9
122.10525	0.5
123.11732	0.4
126.09148	0.7
127.03076	0.6
127.03923	5.5
131.08633	0.5
136.11241	0.7
138.09061	0.4
140.10716	0.9
143.10693	3.2
145.04968	0.7
147.11690	3.0
150.95287	0.3
154.15939	3.6
157.10107	0.8
159.02905	0.6
164.14284	0.5
165.12790	1.4
166.15916	3.0
168.17456	0.7
169.04988	0.5
170.15395	0.4
175.11150	0.9
178.15941	1.4
181.77020	0.4
193.12268	0.9
196.16980	7.8
210.18520	0.5
211.13246	1.2
213.04036	0.9
214.18031	100.0
215.06992	0.5
215.18294	1.6
229.14430	2.8
259.09610	0.5
308.22067	0.7
315.87555	0.4
326.23135	0.6
344.24356	3.4
376.23337	1.0
418.24353	3.2
424.30612	1.3
442.31686	9.3
444.22467	0.6
462.23380	38.5
463.23648	0.7
513.32056	0.4
540.20398	0.4
548.30640	0.5
551.03339	0.4
592.29840	2.2
646.38373	1.1
690.36902	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	689.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
65.84271	0.9
67.05506	1.1
69.07093	1.0
71.51324	1.4
79.05500	2.0
81.07067	3.4
83.08630	1.8
89.06051	1.1
91.05511	1.7
93.07044	1.0
95.08609	1.2
105.07007	1.8
114.82853	1.0
116.46933	1.0
119.94589	1.0
121.10201	1.1
163.14758	1.0
170.38492	1.0
171.49545	1.0
184.07449	1.3
186.06572	1.0
331.96848	1.1
447.92612	0.9
455.18707	3.4
459.21820	4.2
460.22272	1.3
468.20428	1.4
469.20474	4.2
470.21243	2.1
471.21591	1.4
483.21848	14.0
484.22781	8.2
485.23404	3.8
497.24133	1.6
498.24551	1.0
499.25378	1.7
527.24640	1.3
533.25641	2.7
557.25659	3.5
571.27942	1.2
587.26697	1.9
592.26855	4.9
616.26855	14.4
617.27679	6.4
629.31592	3.2
631.29504	1.2
689.33374	100.0
690.34003	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	689.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
55.01884	3.1
55.05515	9.1
57.03440	2.4
57.07079	1.9
57.13049	1.3
67.05508	23.4
69.03428	6.5
69.07067	7.9
69.18694	12.0
69.19099	2.0
71.04988	1.7
79.05499	20.5
81.03431	22.3
81.07056	22.7
83.04994	6.1
83.08628	4.6
85.02924	2.9
86.09710	1.6
88.11398	1.6
91.05480	18.4
93.07050	21.9
95.04958	14.2
95.08602	15.5
97.02910	4.1
97.06522	1.5
97.10178	3.1
99.04508	2.0
103.05502	1.5
105.07032	13.0
107.04981	4.1
107.08602	12.8
109.02917	4.5
109.06545	2.0
109.10180	5.3
111.04457	2.7
111.08101	2.0
115.05479	1.9
117.07040	6.7
119.08584	9.7
121.10167	7.9
123.04435	4.9
123.08073	1.6
125.09684	2.4
127.03965	2.0
129.07033	4.2
131.04971	1.9
131.08623	8.6
133.06564	1.5
133.10199	4.8
135.08086	2.2
135.11742	4.1
141.06992	2.3
143.08578	1.5
145.10132	6.8
146.09689	1.9
147.04443	2.2
147.08037	1.6
147.11716	6.8
149.09691	2.8
155.08533	1.5
157.06583	2.0
157.10124	3.7
159.08107	2.1
159.11720	3.4
163.03928	1.7
163.11176	2.9
171.11775	2.1
173.02385	1.5
173.06065	1.9
173.13258	2.3
184.07423	5.6
189.12856	1.8
193.12183	6.9
211.13342	6.2
213.05516	1.5
214.85934	1.4
221.10768	1.8
223.12453	1.7
229.53108	1.5
235.13336	3.0
237.14096	1.6
238.14522	1.6
261.22153	1.8
262.13541	2.0
276.15268	1.7
293.25806	1.6
301.14609	2.3
314.16617	2.1
316.14749	1.5
318.16022	1.9
323.14383	1.6
335.25900	5.4
337.14929	1.5
340.18362	2.1
342.19705	2.2
353.18112	2.0
363.16074	1.6
365.17773	2.2
367.19479	1.6
375.17865	1.9
378.19348	1.8
379.19614	2.9
380.20349	2.0
381.21146	3.0
393.21033	2.1
394.17834	8.1
395.18765	3.8
398.18115	1.7
407.22922	2.5
408.19910	2.3
409.20239	46.6
410.21082	4.5
411.18277	2.1
419.18988	2.9
421.20428	2.4
423.21884	14.1
424.22580	20.4
425.23807	1.6
429.20532	7.1
430.21112	1.9
435.22351	2.0
437.23840	2.4
439.17432	3.0
447.22766	1.9
449.19580	2.0
451.21442	2.6
453.18991	10.9
454.19763	3.4
463.21585	2.5
465.23395	4.3
467.20624	3.9
468.21716	4.9
469.22729	2.1
480.24863	1.8
481.22961	2.8
482.23370	2.4
483.24045	4.5
489.22824	2.1
493.18091	2.3
493.23199	3.7
495.20306	1.7
496.24850	2.4
497.25662	30.8
497.32715	2.5
498.26376	6.2
508.24893	2.7
509.22253	6.0
524.24268	2.3
525.25342	2.0
526.23755	2.2
527.23230	5.1
527.37396	1.7
537.21619	4.3
541.24512	37.2
542.25159	12.4
543.25970	2.8
552.23590	2.3
553.20831	8.5
567.26605	7.3
568.23334	5.5
569.24097	3.5
579.22357	2.7
583.25757	1.7
584.26227	26.1
585.27002	4.8
586.27716	4.2
587.24689	2.0
597.23853	2.5
611.25104	13.2
612.25793	1.9
627.28345	1.8
628.25513	5.5
629.26117	13.4
639.24420	19.8
643.27319	2.0
671.27130	100.0
672.27716	4.5
689.28363	96.9
689.41565	13.9
690.29047	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
55.01871	1.4
55.05515	5.2
57.03443	2.1
63.14458	0.5
65.03941	0.9
67.05509	16.2
69.03434	3.2
69.07078	3.3
69.31475	5.1
71.04988	1.3
79.05498	11.5
81.03417	8.0
81.07066	13.3
83.04993	2.2
83.08621	2.5
85.02914	2.4
86.09712	0.9
91.05483	11.4
93.07050	11.2
95.01338	0.9
95.04981	8.7
95.08613	7.9
97.02895	2.1
97.06531	0.8
97.10183	1.7
99.04391	0.5
99.08050	0.5
103.03958	0.9
103.05429	0.6
105.07029	6.6
107.04967	2.9
107.08589	6.6
109.02882	2.3
109.06560	2.3
109.10155	3.5
111.04443	0.9
115.05478	1.0
117.07047	4.0
119.04989	0.9
119.08572	5.8
121.06537	1.9
121.10146	5.5
123.04424	4.9
123.08094	1.1
123.11752	1.0
125.09650	1.6
127.03919	1.0
128.06189	0.9
129.05521	0.7
129.07025	3.6
131.04962	1.7
131.08586	4.8
133.06538	0.9
133.10133	4.5
135.08069	1.1
135.11693	3.2
137.06065	0.6
137.09593	0.8
141.06989	0.7
143.08586	2.0
145.06509	1.5
145.10112	4.2
147.04433	1.6
147.08041	1.3
147.11688	3.9
149.06009	1.0
149.09659	1.7
149.13275	1.8
151.11220	0.7
155.08568	0.9
157.06473	0.7
157.10149	2.4
159.08054	1.1
159.11708	2.0
161.06023	1.7
161.09621	0.9
161.13297	0.9
163.03934	1.5
163.07556	0.8
163.11217	2.0
167.08524	0.9
169.10124	1.0
171.08070	0.8
171.11711	1.4
173.04550	0.9
173.05920	1.1
173.09680	1.4
173.13309	1.9
175.07437	0.6
175.11211	0.8
184.07402	2.3
185.06006	0.9
185.13313	1.0
187.07617	0.6
189.05432	0.9
189.12724	1.1
191.10748	1.2
193.12276	2.2
199.07507	0.6
201.12766	0.7
205.12201	0.9
207.13837	1.2
211.13376	1.7
213.05392	0.7
217.12212	0.7
222.99118	0.6
235.13258	5.3
249.15085	0.8
259.13370	1.9
259.20599	0.7
261.22208	1.6
267.13754	0.8
273.14938	2.7
273.18207	0.6
277.14224	0.6
289.14566	0.7
301.14435	3.5
309.17026	0.6
319.15469	1.5
335.25885	6.7
337.14188	0.6
355.15570	1.5
357.16977	0.7
369.24313	0.9
375.18152	1.7
384.12210	0.7
385.13931	1.1
393.19260	1.3
397.13141	1.2
398.13782	6.9
399.14407	4.6
400.16516	7.8
401.16595	0.6
410.14404	0.9
411.14453	2.6
411.19568	0.6
412.15308	8.5
413.16086	11.8
414.16779	2.5
416.14978	2.2
418.17618	2.9
425.16122	2.1
426.17734	3.4
427.17810	10.5
428.18799	13.5
429.19043	2.4
430.16608	0.8
437.16754	0.8
437.29181	0.8
438.16974	0.8
439.13739	1.2
440.14920	2.4
441.14844	3.4
443.13428	1.9
444.14392	1.9
445.19522	1.2
446.17023	1.4
453.15561	1.1
455.17184	43.0
456.17596	5.0
457.15152	2.4
458.15775	5.8
459.16629	6.0
460.17383	0.9
465.12277	1.0
469.15390	2.2
471.16687	3.6
472.17902	2.9
473.18457	1.5
480.13910	1.0
483.16684	37.2
484.16739	2.9
485.14896	0.9
486.19168	3.8
487.19781	6.0
495.16763	1.7
497.18051	1.0
499.16339	1.1
500.16852	0.9
501.17517	1.7
509.18240	1.5
513.17780	1.1
514.18634	0.7
515.19269	5.0
516.20123	1.5
523.16376	2.8
524.17163	0.7
527.15076	6.6
527.37311	1.6
528.16266	1.8
537.18066	1.8
538.18146	1.7
541.21106	1.2
542.20868	0.7
555.18848	3.6
569.20355	4.0
569.38287	1.3
570.20856	8.5
573.24036	0.8
574.24329	14.5
575.24268	0.7
587.21545	2.4
601.22791	10.8
602.23767	100.0
603.24133	6.4
615.20764	1.1
615.37012	0.9
629.22406	25.0
630.22845	5.1
633.25690	2.8
635.39105	1.3
643.23999	5.3
653.39575	0.7
657.21722	17.8
658.22095	0.8
661.25012	4.1
661.41284	0.9
671.40515	2.2
689.24402	8.3
689.41058	8.0
690.26044	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01886	1.5
55.05506	4.8
57.03442	1.6
57.07069	2.5
60.08171	1.2
67.05511	13.2
69.03434	3.2
69.07059	3.4
71.04981	1.2
71.51722	1.7
77.23296	1.0
79.05499	13.5
81.03422	11.8
81.07066	12.8
83.04982	3.3
83.08622	2.7
86.09718	7.9
87.95882	0.9
89.06018	2.2
91.05489	10.8
93.07056	13.7
95.04964	3.4
95.08611	8.2
97.02918	2.1
97.06575	1.2
97.10129	1.5
98.98483	1.4
99.04459	1.3
105.07037	10.3
106.89600	1.1
107.04953	2.0
107.08604	7.8
109.10165	5.3
117.07027	3.0
119.08559	6.2
121.10168	6.4
123.04415	1.6
125.00011	8.4
127.03922	1.1
127.11165	1.9
129.05487	1.6
129.07001	3.3
131.08582	5.4
133.10139	6.0
135.08060	1.5
135.11722	2.9
141.07103	1.2
142.07732	1.2
143.08521	1.6
145.06555	1.3
145.10156	3.6
147.11679	4.1
149.09627	3.3
149.13289	1.6
157.10103	1.4
159.04482	2.1
159.08154	1.1
163.03888	2.1
163.11166	1.7
165.12862	1.2
169.10107	1.8
171.11653	1.7
173.02351	2.0
173.09709	1.3
173.13416	1.4
175.11269	2.2
183.11737	2.0
184.07359	28.7
185.07735	2.4
187.03935	1.8
191.10756	1.1
193.12279	1.8
199.03928	1.2
213.05502	1.7
243.21117	1.2
259.20517	1.9
261.22278	1.2
265.72348	1.0
267.13834	3.1
301.21829	1.2
311.12857	1.2
335.25894	3.0
355.15378	8.0
357.16840	2.1
370.11023	1.3
384.12268	4.0
385.13116	3.8
387.14435	1.3
397.13208	1.6
398.13840	9.8
399.14532	14.5
400.15454	20.7
401.16318	2.1
411.14917	2.5
412.15436	10.7
413.16162	21.3
414.17084	12.0
418.17728	2.8
424.15329	2.1
425.16473	2.1
426.16797	3.8
427.12949	2.0
427.18292	16.4
428.18628	21.9
429.19577	12.9
440.14395	1.7
441.14716	8.0
442.16437	10.3
444.14108	2.5
455.17191	50.4
456.17676	18.9
457.14731	1.7
458.15961	6.0
459.16867	8.6
460.17374	1.4
467.20972	1.4
469.14984	3.8
471.16623	2.1
472.17542	1.5
481.15103	2.3
483.16696	37.6
484.16782	8.4
485.14236	1.4
486.18594	2.0
487.15100	2.5
487.20218	3.3
488.16708	3.1
495.16418	3.2
496.17703	1.4
499.16217	8.9
500.16721	1.5
501.17252	1.5
509.14478	1.4
511.20084	5.7
515.19128	2.5
516.20020	1.9
523.16339	2.9
524.16412	2.0
527.15656	30.1
527.37189	4.2
528.15833	14.8
538.18207	2.3
539.19312	11.3
543.22540	30.4
544.22382	2.0
548.39929	1.7
555.18829	1.4
569.20172	2.7
571.21954	100.0
572.22601	7.3
574.24365	12.6
586.20276	2.0
587.21112	3.3
601.23077	12.6
602.23798	62.5
603.23712	2.9
615.21106	5.3
615.36542	2.6
615.98889	1.3
617.26636	2.7
629.22528	44.4
630.22870	56.8
631.22894	3.7
633.25391	3.1
633.37323	2.7
643.23639	2.9
657.21930	61.6
658.21875	4.5
661.24799	7.6
671.40607	2.5
689.24463	25.4
689.40558	13.9
690.24591	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	688.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14223	1.0
53.03954	1.6
55.05521	15.2
57.03442	10.8
57.07076	3.9
59.05001	4.1
61.02916	3.4
65.03938	2.7
67.05512	100.0
69.03425	2.4
69.07073	16.4
69.78048	1.1
70.10435	3.8
71.04994	2.7
71.08643	2.2
79.05495	13.0
81.03408	1.5
81.07066	47.4
83.04990	2.4
83.08634	13.4
85.02908	3.9
85.06548	3.6
86.09712	3.1
89.06043	2.8
91.05489	11.5
93.07058	15.9
95.04936	1.4
95.08619	28.0
97.02897	1.7
97.06542	3.1
97.10184	4.6
105.07025	6.2
107.08609	7.8
109.10169	76.0
110.10501	1.5
111.08099	4.0
111.11775	1.2
113.09635	1.4
119.08579	9.2
121.10151	3.9
123.11703	4.5
125.00025	1.8
125.09619	1.4
133.08627	1.4
133.10132	4.2
135.11687	3.9
137.09659	3.6
137.13295	1.8
147.11699	3.9
149.13190	1.2
155.10634	6.2
161.13257	2.3
163.14850	1.7
173.11765	14.4
184.07388	13.9
218.29883	1.1
225.63928	1.2
229.14371	91.8
230.14677	1.3
238.51955	1.1
245.22673	2.9
263.23819	3.7
311.67926	1.2
337.27405	72.5
338.27866	1.5
384.08282	1.4
423.21982	1.3
424.22214	1.7
438.24078	1.4
464.21179	1.5
491.37344	83.4
492.37396	3.2
493.21619	1.6
496.23843	1.6
506.22601	1.4
509.37827	1.5
526.25494	1.3
536.23230	3.0
537.24414	1.3
538.25262	3.2
566.24469	5.5
582.24060	2.6
598.27448	2.4
642.11359	1.2
655.26202	1.5
656.28070	58.7
657.28101	4.4
688.30579	21.0
689.42310	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29386	0.3
56.05022	0.9
60.07883	0.5
60.08166	5.3
67.05486	0.7
70.06590	0.4
70.30318	0.3
70.81359	0.6
70.81700	0.3
71.07380	3.5
72.75047	0.3
73.41899	0.3
79.05491	0.6
81.03407	0.4
81.07037	0.5
83.68138	0.2
86.09713	29.7
89.06034	0.6
91.05521	0.5
93.07037	0.6
95.08622	0.5
98.98471	3.6
104.10745	2.0
105.07017	0.6
107.08575	0.3
119.08549	0.3
121.10165	0.5
122.15272	0.2
123.08089	0.5
125.00014	19.8
131.08534	0.5
133.08632	0.3
143.01086	0.4
184.07355	100.0
185.07654	0.6
212.76331	0.3
346.80267	0.3
606.08600	0.3
688.45404	2.5
689.45599	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.2
56.05025	0.9
56.11674	0.7
57.03438	7.3
57.07067	2.5
59.04993	1.7
60.08167	6.9
61.02919	2.3
65.03929	1.4
67.05508	57.5
69.03410	1.0
69.07069	7.8
71.04978	2.1
71.07365	3.6
77.26991	0.7
78.64819	0.7
79.05496	6.1
81.03442	1.2
81.07058	22.3
83.08620	6.4
85.02897	2.0
85.06548	2.3
86.09711	30.5
89.06026	1.3
91.05486	5.6
91.88328	0.7
93.07034	6.4
95.08606	16.6
97.02882	1.1
97.06506	1.0
97.10168	1.8
98.98465	2.8
104.10749	3.4
105.07044	2.6
106.81162	0.8
107.08579	3.5
109.10162	45.8
111.08077	3.0
119.08579	5.7
121.10143	2.5
123.11718	2.5
125.00011	19.8
131.08522	1.0
131.66016	0.8
133.08630	0.9
133.10129	2.2
135.11688	2.1
137.09604	2.7
147.11710	1.7
155.10687	2.5
161.13232	0.9
164.67654	0.7
173.11765	11.8
175.14722	1.3
175.65308	0.7
183.18182	0.7
184.07349	100.0
213.78761	0.7
227.12761	1.3
229.14360	63.6
230.14642	1.2
245.22600	1.3
263.23773	2.8
270.09665	0.7
278.84378	0.8
320.75711	0.9
337.27383	40.9
361.53125	0.7
491.37280	30.1
492.37201	1.0
510.47586	0.9
656.27850	4.7
657.28864	1.9
688.30017	1.6
688.45111	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	687.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.1
56.54001	0.8
57.07051	0.9
67.05502	3.9
69.07072	0.9
71.08616	0.7
79.05501	2.1
81.07058	2.3
88.73548	0.7
93.07044	2.2
93.35983	0.7
95.08615	1.9
105.07047	1.8
107.08558	1.1
109.10148	2.2
116.55112	0.7
118.83458	0.7
119.08588	0.8
119.16167	0.7
121.10127	0.9
151.57036	0.8
163.97884	0.8
225.13948	1.2
229.14442	1.6
237.14005	1.0
238.14700	1.1
239.15503	1.4
252.16299	1.0
358.15836	0.8
379.19421	0.9
381.20792	1.2
393.20749	1.5
409.20135	1.8
421.20120	1.0
422.21307	1.0
423.21994	6.5
435.22318	1.9
437.23987	4.2
447.17563	1.1
448.18723	1.3
449.19397	1.0
451.21136	1.5
461.19778	0.9
465.23392	1.3
474.00452	0.8
475.21826	1.9
479.21777	1.0
480.21359	1.5
491.20340	1.7
492.21774	2.8
495.23730	1.1
497.25638	1.5
501.23090	1.1
503.20596	1.4
505.22211	1.5
507.23950	2.3
508.21478	1.2
509.26038	3.6
519.23871	2.9
525.24786	2.4
531.23987	1.4
535.23346	2.4
537.25061	5.4
547.23785	1.0
553.24292	1.7
563.23334	1.7
564.23193	1.2
565.24463	7.4
567.23395	1.0
581.24023	4.4
596.25842	1.6
597.26923	2.8
623.25085	2.5
637.26715	1.7
641.26117	2.4
655.27661	100.0
656.28278	5.7
687.30219	35.6
688.29834	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58463	1.3
67.05502	5.0
68.05840	1.7
79.05485	1.8
81.07075	2.6
81.79015	1.4
95.08598	1.7
109.10171	2.9
214.65352	1.4
223.12376	1.3
225.13896	1.7
225.51381	1.3
229.14421	4.7
229.22183	1.3
235.40317	1.3
237.13959	1.7
238.14751	2.4
239.15561	1.8
247.09619	1.7
247.12404	1.6
249.13702	1.7
300.15244	1.7
304.14709	1.4
326.16602	1.6
335.25882	2.9
336.26105	1.8
353.17914	3.1
353.62485	1.5
365.17612	2.3
366.18726	2.7
367.19659	3.2
368.20099	1.7
377.17719	2.2
379.19452	2.8
381.16724	2.0
381.21002	4.2
391.19324	3.5
395.18719	4.9
405.17072	4.5
407.18848	2.6
409.20285	5.4
410.21259	4.9
411.21793	5.8
419.18857	1.8
420.19690	3.7
421.20267	2.6
422.21115	4.7
423.21991	7.3
425.23209	2.1
437.24097	2.6
439.21368	2.4
447.22040	3.2
448.18707	10.0
449.19733	2.8
451.21469	1.6
453.23044	5.1
466.23770	2.0
468.25687	8.4
475.17722	5.0
477.19278	1.9
480.21378	13.7
481.22232	2.3
483.23853	2.5
493.18140	2.3
496.24927	6.0
497.25790	8.6
498.26477	14.7
507.23236	2.3
508.21262	2.8
511.27524	3.0
512.27789	2.5
523.23346	1.9
524.24243	4.2
525.24792	7.5
534.22662	2.9
539.26642	4.7
540.27374	4.9
553.24463	3.6
563.22888	2.1
565.23785	2.2
566.24506	2.2
567.25977	10.2
580.23529	2.2
581.23700	2.9
584.26068	7.1
585.26923	8.5
594.24713	21.1
595.25470	3.4
599.28485	5.1
609.27185	2.0
612.25757	27.8
613.26404	6.9
623.23938	2.1
627.28137	33.7
637.26575	7.1
655.27673	52.1
676.88477	1.5
687.30212	100.0
687.39490	3.5
688.30640	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	687.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
53.75850	0.9
55.05513	2.3
67.05500	5.1
69.07085	1.4
69.58988	0.9
71.04998	1.0
71.51959	1.6
78.55571	0.8
79.05485	5.2
81.03411	3.6
81.07050	4.2
83.04971	2.1
83.08612	1.2
91.05482	4.4
93.07049	4.4
94.59001	0.8
95.04999	1.7
95.08612	3.1
97.02916	1.0
101.58881	1.0
105.07027	3.2
107.04940	1.4
107.08605	3.0
109.02872	1.2
109.06510	1.0
109.10162	2.6
115.05475	1.2
117.07008	1.9
119.08600	3.5
121.10179	1.7
131.08598	2.4
133.10120	1.7
143.08545	1.6
144.08080	1.3
145.10132	1.8
149.09618	1.4
159.11740	1.2
163.11165	1.0
166.08623	1.3
170.09717	1.3
172.07616	0.9
183.61320	0.9
195.09102	1.0
197.10773	1.2
199.08722	1.5
209.10742	7.6
210.11505	1.5
211.08696	1.4
211.12349	1.5
213.06627	1.1
213.10233	1.4
215.83650	1.1
221.10962	1.6
222.11354	1.5
223.08704	2.2
223.12254	5.8
224.13104	6.0
225.13815	4.1
227.08098	1.9
232.09781	1.2
235.08699	1.1
235.12328	1.2
237.10196	2.9
237.13885	14.9
238.14706	6.9
239.15497	5.8
241.09770	1.6
250.11064	0.9
251.11981	1.4
252.12630	1.4
253.13356	2.0
255.11333	1.9
263.11688	1.0
265.13382	10.0
266.14142	3.4
267.14981	3.9
273.12323	2.5
287.14288	1.2
297.12396	3.5
299.10510	1.2
309.16214	1.6
312.15097	1.0
313.16281	1.4
314.16638	1.0
315.13419	3.0
325.15466	9.4
326.16330	1.1
327.13565	1.2
327.17114	3.9
328.14609	1.0
328.18198	2.2
335.13770	1.2
335.25494	1.4
340.14371	1.1
342.19821	1.0
343.12933	2.2
372.16959	1.3
387.19617	1.4
388.20288	1.8
393.17294	1.3
394.17844	1.2
395.18378	1.1
399.15619	1.2
400.16318	2.2
401.21002	1.0
402.21609	1.6
404.23334	1.9
407.19104	1.1
409.20187	2.6
421.20435	1.3
425.19684	1.0
433.20441	1.3
437.19901	1.8
451.22031	1.4
461.19348	1.1
467.20517	1.1
477.20767	1.0
478.20834	1.2
481.22632	1.4
490.22800	3.1
491.24225	1.6
497.25278	3.7
498.26349	1.6
506.23483	1.2
507.24115	5.8
509.21677	1.2
510.23087	1.9
511.23111	1.2
521.25568	2.7
524.23828	2.6
525.25208	7.5
535.23090	2.0
539.26709	2.2
540.27094	1.9
549.25018	3.1
551.25806	1.1
552.23309	1.1
553.24579	2.1
567.26208	4.3
568.26752	2.0
579.25879	2.6
585.26758	1.4
595.25281	3.7
605.22833	1.1
609.27155	16.0
610.26599	1.2
613.26453	1.2
623.24933	1.9
627.28198	34.6
637.26373	7.4
637.36182	1.5
655.27686	100.0
656.27948	4.3
669.28912	1.4
685.17859	1.0
687.29608	6.0
687.40948	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	686.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
53.20238	1.0
55.05519	10.1
56.68921	1.0
57.03441	13.0
57.07057	1.0
59.04987	4.4
61.02932	5.5
65.03929	1.6
67.05510	100.0
68.05831	1.4
69.03429	1.5
69.07074	7.1
69.97912	1.0
70.24715	3.9
71.04984	3.3
79.05499	19.7
81.06599	1.9
81.07064	35.7
83.04974	1.3
83.08627	8.3
85.02892	4.1
85.06551	2.4
91.05485	13.4
93.07047	25.7
95.08616	26.6
96.97841	0.9
97.02900	2.5
97.06531	1.5
105.07030	6.9
107.08598	13.5
109.10164	79.0
111.08038	2.5
113.09656	1.0
117.07012	2.4
119.08588	11.2
121.10159	11.2
123.11720	3.1
131.08578	5.4
133.10117	4.6
135.11681	6.0
137.09605	3.0
145.10124	3.9
147.11653	3.4
149.13255	4.8
155.10672	12.1
158.04068	1.1
159.11646	3.0
161.13249	3.4
163.14836	3.5
173.11806	16.3
173.13271	2.6
175.14812	1.2
187.14882	2.2
189.11301	1.0
198.56252	1.0
209.08247	1.1
227.12813	5.5
229.14362	96.4
243.21086	5.6
261.22156	17.1
317.24792	2.6
335.25824	73.2
336.26056	2.6
366.45676	1.1
379.29700	1.6
397.31100	1.7
489.35791	37.4
490.36496	1.3
507.36731	3.0
659.53320	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.2
55.01873	1.5
55.05522	11.2
57.03441	13.2
57.07081	3.5
59.05002	3.8
61.02922	4.0
65.03934	2.3
67.05511	100.0
69.03438	4.5
69.07084	7.5
71.04991	3.2
79.05496	17.9
81.03423	4.3
81.07065	34.3
83.04986	2.9
83.08613	8.3
85.02915	4.9
85.06548	3.2
91.05471	15.0
93.07052	23.8
95.04954	2.4
95.08617	22.9
97.02908	2.6
97.06568	2.2
97.10173	3.6
98.20638	2.6
99.04485	1.5
99.08076	1.3
101.45681	1.1
105.07016	8.5
107.08604	11.2
109.10165	66.2
111.08099	3.7
117.07034	3.1
119.08603	10.5
121.10158	8.8
123.11755	3.1
125.09624	3.2
127.03917	1.5
129.05513	1.4
129.07010	1.5
131.08578	5.6
133.10138	6.5
135.11726	6.9
137.09631	2.7
145.10092	5.5
147.11691	3.9
149.13243	3.8
155.10686	6.9
157.10042	1.2
159.11728	5.9
161.13318	2.7
163.14813	3.0
173.11797	18.9
173.13266	3.8
175.14850	1.6
205.19266	1.2
223.41110	1.1
227.12839	3.2
227.17894	1.7
229.14378	71.7
229.89473	1.5
243.21121	3.5
255.20979	2.0
261.22131	13.0
263.06815	1.4
299.14981	1.6
315.23233	1.6
317.24805	1.9
335.25839	64.1
336.26187	1.9
373.18549	4.1
397.31061	1.4
415.32187	1.3
430.17679	1.8
471.34494	1.6
489.35767	39.0
490.35730	2.0
507.36676	2.4
594.24182	2.3
633.39624	3.6
655.27911	2.8
657.43353	1.3
686.41223	13.7
687.30225	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01869	2.6
55.05516	56.2
58.99585	2.3
65.03942	1.2
67.05505	2.6
69.03416	2.9
70.02940	2.0
71.23455	1.9
74.00663	2.3
76.02226	8.6
76.03992	3.1
79.05488	2.9
81.03437	1.7
81.07047	3.0
83.04989	100.0
84.04511	5.3
84.05295	1.4
85.02892	1.0
85.04022	5.7
86.09689	1.1
86.99077	1.1
91.05477	3.9
92.01698	2.6
93.07047	2.5
95.04970	4.1
97.06520	5.5
99.05597	1.7
99.20570	1.1
105.07042	5.7
107.04938	2.9
107.08608	1.7
109.06464	1.6
109.07625	1.0
112.03989	1.4
113.03477	1.8
115.05465	1.4
116.01692	3.5
117.07008	3.9
119.08595	1.4
121.06519	3.4
123.04417	1.7
128.06236	4.1
129.06953	4.1
129.91200	1.1
130.05000	8.3
130.07756	1.5
131.04564	4.5
131.08591	2.5
133.06448	1.1
135.04456	1.3
137.06003	2.3
141.07004	4.4
142.07785	1.3
143.08607	4.7
144.01184	2.0
145.06073	10.1
145.10101	2.9
147.08060	2.1
149.03821	2.2
153.06958	1.9
154.07774	4.6
155.08513	4.3
157.06482	1.8
158.07281	1.5
159.08069	1.4
159.11684	1.3
161.09592	1.1
162.02217	6.0
163.03970	2.3
163.07527	2.2
165.06967	1.4
167.08606	4.8
169.10143	11.6
171.08084	5.7
171.11679	1.4
173.05934	1.3
173.09668	4.0
175.07521	1.9
177.03310	21.1
178.07878	1.5
179.04872	9.3
179.08545	3.7
181.06216	2.2
182.07370	1.8
185.03795	2.5
185.09644	5.5
187.05415	1.3
189.09186	2.7
190.05043	3.5
197.09647	8.7
199.11124	2.1
201.09085	1.2
212.16599	1.2
213.09151	1.7
215.10730	5.8
217.08755	1.5
225.09105	3.7
231.04297	3.0
231.10072	1.6
233.05962	1.9
233.11714	1.3
243.10225	7.6
259.09616	4.9
261.11249	26.0
270.16885	1.6
279.12381	1.8
288.06680	1.4
306.07504	2.6
308.09109	3.2
331.04483	1.4
343.15552	1.5
361.16476	99.7
362.16705	2.8
436.17746	1.7
439.15332	3.9
452.13608	3.5
524.14899	2.2
539.20325	2.1
593.21545	2.6
668.24585	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	686.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
55.05516	11.0
57.03443	12.4
57.07078	2.9
59.05001	3.3
61.02927	3.8
65.03941	3.3
67.05510	100.0
69.03436	1.7
69.07069	8.8
71.04993	2.7
79.05499	22.8
81.07063	40.0
83.04993	1.4
83.08626	8.4
85.02918	5.0
85.06559	3.3
91.05488	16.6
93.07053	23.9
95.08614	29.3
97.02884	2.0
97.06573	1.4
97.10156	1.8
98.21520	2.8
105.07044	6.8
106.30427	1.2
107.08601	14.3
109.10165	74.1
111.08100	3.6
117.07019	4.0
119.08575	11.8
121.10157	12.6
123.11749	3.2
131.08591	4.8
133.10121	3.7
135.11720	7.2
137.09601	3.8
137.13234	1.6
137.28629	1.1
145.10132	5.6
147.11684	4.8
149.13272	4.4
155.10672	10.7
159.11726	3.1
161.13263	2.9
163.14798	2.2
173.11761	14.0
173.13318	3.2
187.14886	2.0
210.72620	1.1
227.12828	2.4
229.05797	1.4
229.14368	79.6
243.21126	4.6
261.22189	18.5
317.24832	3.4
335.25812	74.3
336.25760	1.4
353.88394	1.2
428.49072	1.2
489.35812	51.8
490.36160	2.2
507.36871	1.9
509.92239	1.3
545.25568	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.3
55.01880	4.1
55.05515	46.8
56.05023	3.1
58.99597	7.8
63.30431	3.3
64.28911	3.3
67.05505	5.2
69.66530	5.4
69.66936	19.5
70.02949	20.2
72.83138	3.6
76.02219	17.0
76.03989	6.7
79.05484	6.5
81.07059	4.7
83.05000	60.1
83.06110	9.4
84.04509	17.8
85.62593	3.1
86.00681	4.2
88.02228	16.8
91.05473	14.6
93.07053	6.6
95.04998	7.7
99.05641	7.1
105.07040	13.8
107.04971	5.0
107.06082	4.8
109.06525	3.6
109.07690	4.9
114.05524	4.1
115.05473	6.3
116.01702	16.5
117.06994	9.5
119.04900	5.9
119.08579	6.7
121.06524	3.3
124.91087	4.4
125.00653	3.3
125.14465	3.7
127.73312	3.9
128.06236	13.0
129.06824	11.6
130.05038	6.0
131.04935	5.5
131.08591	11.0
133.06499	3.7
135.04430	4.1
135.08047	4.0
137.00609	3.6
137.05963	4.5
141.06982	10.8
142.03217	5.2
142.07684	3.9
143.08551	25.9
145.06093	78.6
145.10103	7.7
146.53506	3.6
153.06741	10.8
154.07809	9.7
155.08452	13.3
156.09364	4.9
157.06583	4.2
157.10117	9.4
159.08092	6.9
159.11711	5.1
161.04218	3.5
162.02222	11.3
163.03880	6.0
165.07069	7.1
166.07802	6.1
167.08549	9.1
169.06461	5.1
169.10120	21.0
170.02719	3.9
171.08049	40.7
171.11688	6.0
173.04132	5.3
173.05794	5.2
173.09605	13.9
179.04909	13.0
179.08569	13.8
181.06305	4.8
181.10095	10.6
182.07245	8.0
183.08084	5.8
184.08830	6.3
185.09651	12.6
187.05592	5.0
187.11244	6.4
189.09190	6.5
193.06279	4.2
195.08090	5.2
197.09636	48.5
199.05450	4.8
199.07266	5.6
199.11159	44.0
201.07365	8.8
201.09135	5.6
211.07182	9.3
213.07303	4.9
213.09152	8.4
214.04529	5.1
215.10712	15.2
217.12256	5.1
225.09140	30.8
229.06802	17.4
230.42795	3.7
231.08272	4.3
243.10208	33.4
255.08344	4.2
259.09811	5.2
261.11411	6.2
275.07361	8.5
300.10556	4.5
301.08875	4.2
318.11615	17.2
336.12704	10.1
378.08707	3.7
403.13287	7.6
404.11716	16.8
421.14322	28.1
422.12695	11.3
436.17795	19.2
439.15372	19.8
471.81961	4.0
475.15421	4.5
493.16248	4.1
504.16406	4.3
521.19574	9.8
522.17938	5.2
539.20691	100.0
550.18243	12.3
575.20923	5.2
593.21649	36.2
650.23749	9.8
668.24976	62.8
686.25720	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	686.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01871	2.7
55.05516	57.7
58.99574	2.6
67.05498	2.6
69.03419	4.4
70.02928	1.4
70.19354	4.0
71.70808	1.1
72.65023	1.1
74.00655	3.3
76.02229	7.9
76.03996	3.9
79.05484	2.4
81.07042	3.1
83.04987	100.0
84.04532	5.6
85.04028	6.4
86.09723	1.5
86.99063	1.3
91.05476	3.1
92.01716	2.3
93.07048	1.7
95.04945	3.3
97.06511	2.4
105.07027	4.4
107.04971	1.6
107.08572	2.1
109.06490	2.4
112.03951	1.6
113.03467	2.2
115.05465	2.3
116.01683	4.2
117.07000	2.7
119.08603	2.5
121.06495	5.8
123.04411	1.6
128.06221	4.0
129.06946	4.7
130.05034	8.3
131.04572	2.9
131.08521	2.7
133.06482	1.8
135.04378	1.6
137.05992	2.5
141.06984	4.3
142.03252	1.6
142.07800	2.6
143.08588	5.5
144.01186	2.8
145.06099	8.5
145.10098	2.4
147.07990	2.4
151.03899	1.3
153.05453	2.8
154.07793	5.9
155.08539	4.6
157.06413	1.7
157.10153	1.8
159.08051	1.4
160.00668	2.5
161.05965	1.2
161.09601	1.7
162.02219	3.6
163.03801	1.7
165.07066	1.5
166.07829	1.3
167.08556	4.4
169.10146	10.7
170.07263	1.4
171.08011	3.3
173.09624	4.5
177.03311	20.1
179.04881	9.1
179.08488	3.6
181.06387	1.3
182.07271	1.5
185.03773	4.0
185.09642	4.4
187.11211	3.2
189.09172	1.6
195.99776	1.3
197.09628	8.6
199.11224	1.3
201.09134	2.2
213.09105	2.8
215.10686	4.6
217.08528	2.4
225.09077	2.4
231.04300	1.4
231.10257	2.4
233.11763	2.0
243.10245	8.2
261.11227	24.1
270.17053	1.9
279.12265	2.5
306.07532	4.4
308.09091	4.0
343.15439	3.3
361.16467	99.7
362.16623	2.8
419.15390	1.5
421.14035	1.5
439.15308	4.4
539.20276	3.5
557.21686	2.2
593.21552	3.3
611.23151	1.2
668.24731	6.9
686.26422	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	685.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58072	0.7
55.05507	2.0
57.03422	0.8
63.40889	0.8
67.05505	3.2
69.07058	2.1
69.85787	3.3
75.04491	6.2
79.05525	3.9
81.07055	2.4
83.08625	0.8
86.09711	1.6
91.05449	1.1
93.07037	2.0
94.06583	1.0
95.04923	1.1
95.08619	1.8
97.10202	1.4
98.20773	0.7
103.05457	0.8
105.07034	1.6
106.06556	2.2
107.08577	1.1
108.08118	1.0
109.10154	1.8
119.08596	1.9
120.08099	1.7
125.00040	1.0
125.09596	1.0
133.10138	0.7
134.06023	9.9
148.07579	1.0
158.09654	1.1
161.54654	0.8
162.05478	0.8
178.04939	0.8
184.07368	7.5
190.97932	0.7
201.10300	1.1
211.08713	0.9
223.08772	1.0
223.12410	1.3
225.10315	1.9
227.12239	0.8
235.08783	0.9
235.12233	0.7
236.09262	0.8
237.10289	1.5
239.11792	1.9
240.12585	1.8
241.13397	1.6
245.13724	1.0
249.10277	1.2
251.08231	1.5
251.11824	0.8
252.12682	0.8
253.09790	1.2
253.13373	1.8
255.14806	1.7
265.09811	1.1
267.11200	1.0
283.14236	0.8
286.09967	1.0
288.11359	0.8
300.11499	1.6
302.12955	1.2
311.25815	1.5
313.12576	0.9
314.12952	2.7
315.14044	0.9
316.10895	1.1
316.14621	1.0
324.11462	0.9
326.12897	1.4
328.10867	1.4
328.14496	1.5
330.12442	1.1
335.25592	1.0
338.12820	1.5
340.14365	1.4
342.12308	2.6
343.13358	1.2
344.14163	1.3
353.11426	1.2
354.12289	2.2
354.16205	1.2
355.13113	0.9
356.14093	2.3
358.15738	1.4
364.14609	1.0
366.12238	1.7
368.13959	1.8
372.17297	1.1
380.14139	1.0
382.15643	1.0
384.13260	1.1
389.17712	1.1
398.15088	1.2
400.16736	1.5
403.15427	2.1
415.15024	1.0
416.16241	2.3
417.17102	2.3
426.13757	0.9
428.16467	1.0
429.17700	1.0
431.18814	2.1
432.19952	1.4
433.20456	1.2
443.14825	1.2
444.15100	1.3
445.16367	1.5
447.17932	1.0
449.19778	1.1
457.16486	0.9
458.17389	1.1
459.18271	1.9
460.18546	1.0
463.17157	0.9
475.21643	1.4
477.19165	2.8
489.22775	1.1
491.21259	1.9
492.21289	1.0
501.18777	1.3
502.19540	1.0
504.17291	1.0
505.22986	1.4
506.23001	0.9
508.21765	0.9
515.21051	0.9
518.19598	1.2
519.20569	1.9
533.21832	3.0
543.20404	1.3
546.18402	1.2
552.22571	0.8
561.21521	1.7
564.20154	4.6
567.23029	0.8
578.21735	4.5
579.21838	1.3
585.21265	0.9
593.23944	2.5
603.21924	0.9
611.24957	4.1
621.23425	5.5
625.26605	3.5
635.24707	3.0
653.26105	100.0
654.26630	10.5
655.24500	1.0
685.28778	46.1
686.28699	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	685.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46646	0.5
53.73848	0.5
55.05503	1.5
67.05507	3.6
69.07072	1.6
71.51282	1.0
79.05503	2.6
81.07068	2.9
83.08612	1.3
85.06535	0.8
88.77095	0.5
91.05486	1.6
93.07047	2.5
95.04967	0.9
95.08609	2.1
105.07052	2.1
107.08614	1.8
109.10188	2.1
119.08585	1.5
121.10161	1.1
131.08569	1.0
133.10152	1.5
134.58572	0.6
136.06218	1.7
142.76822	0.5
145.10185	1.0
147.11684	0.8
149.13277	0.6
150.03448	0.5
162.95630	0.5
202.24240	0.5
210.11542	1.0
211.12245	0.8
212.13162	0.7
223.12344	1.6
225.13879	2.4
226.14734	1.1
235.12378	1.1
237.13835	1.2
247.12357	1.0
249.14110	0.7
267.14984	1.0
270.13834	0.6
275.15433	1.2
276.16217	0.6
282.50656	0.6
293.12903	1.0
303.15048	0.6
307.30154	0.7
313.27472	0.7
333.20459	0.9
335.22079	1.6
335.25867	0.7
351.21365	0.8
389.23422	0.9
391.24792	1.0
407.23785	0.5
463.21176	0.9
492.21826	0.8
507.20605	0.7
575.22894	0.8
591.26544	0.8
594.23645	0.7
603.22900	1.5
607.25592	1.9
621.24194	1.2
625.26184	0.7
635.25079	12.3
636.25281	2.1
639.28479	2.5
653.26270	6.3
654.26691	0.9
667.27777	1.2
685.29321	14.2
685.46490	100.0
686.28650	1.9
686.46991	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	684.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.2
55.01863	7.5
55.05516	68.5
58.99582	4.7
65.03922	3.8
65.79034	2.8
67.01859	4.9
67.05486	4.2
68.05046	2.8
70.02937	7.8
70.06595	4.6
70.63244	8.0
74.00655	3.9
76.02232	16.9
76.03981	9.1
79.05492	5.8
80.05005	3.3
81.07028	4.6
83.04494	5.3
83.04985	100.0
83.06064	3.4
84.04520	20.9
85.04015	8.1
88.02224	4.5
91.05470	9.7
92.01669	3.7
93.07064	5.5
95.04983	22.8
98.06087	3.3
100.11256	7.8
101.11559	5.3
103.05463	3.0
105.07009	6.3
105.71859	2.8
107.04948	5.8
107.08636	3.2
109.06552	3.2
109.07642	3.4
109.28378	2.7
113.03490	3.3
115.05449	6.1
116.01693	10.1
117.06995	9.2
119.04973	3.8
119.08607	3.6
121.06513	8.9
128.06218	9.3
128.29999	2.6
129.06946	10.5
130.05037	14.6
131.04539	5.7
131.08562	5.0
135.08066	3.9
137.05884	3.2
139.38766	2.6
140.07013	2.9
141.06958	13.2
142.03220	8.2
142.07777	18.7
143.08551	11.8
145.06088	26.3
147.04381	6.7
147.08066	4.2
149.05965	3.7
152.06181	6.0
153.06906	5.7
154.07771	9.1
155.08409	8.5
157.06479	5.0
157.10139	14.6
159.04510	6.7
159.08054	8.1
162.02151	8.4
163.03883	2.6
165.06947	5.3
166.07764	3.5
167.08543	14.1
169.06369	6.3
169.10132	7.2
169.28352	2.5
170.02748	3.5
170.07327	6.9
171.08031	14.6
175.11188	6.2
177.03316	32.4
179.04854	20.3
181.06407	3.0
183.08055	9.4
185.03922	5.0
185.09602	25.7
187.05342	3.0
187.07552	6.7
192.02150	2.6
193.06015	2.9
195.08095	20.0
197.09630	20.3
198.06795	3.0
199.05724	3.2
199.07397	8.8
211.07338	7.4
213.09119	41.2
215.10558	4.2
223.07535	26.7
227.05144	3.8
227.10374	3.7
229.08635	5.0
231.10213	4.6
232.29033	2.9
233.05952	4.4
241.08614	45.2
243.10204	7.9
245.06163	7.1
259.09683	20.1
273.05804	4.2
274.10608	3.0
275.07227	4.2
288.06485	4.4
291.06857	3.1
299.07294	2.5
306.07635	6.8
308.08881	7.6
313.14035	4.4
316.10031	9.5
333.35901	2.6
334.11020	8.0
338.92966	2.7
341.10477	3.8
341.13947	37.9
359.14984	6.3
370.12918	3.3
416.15067	3.6
419.12717	13.0
445.13904	7.2
473.13879	16.6
502.15656	3.7
503.15369	4.1
519.18042	20.2
545.19769	4.3
548.16882	12.9
573.19153	13.5
591.20062	5.0
648.22546	18.2
665.50159	3.6
666.23309	20.4
683.52148	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	685.286
Annotation	Unknow
Peak:m/z	Relative Intensity
62.03466	0.9
67.05497	1.2
71.43555	1.4
106.26896	0.9
141.61559	1.0
156.20793	1.0
221.10886	2.2
235.12411	2.0
238.14900	1.2
261.14038	1.8
276.15039	1.1
287.15619	1.0
325.93698	1.0
336.14676	1.1
339.16306	1.1
350.16766	1.3
351.16360	1.5
352.17166	1.5
361.15118	1.1
363.16104	1.1
365.17844	3.0
366.18970	1.6
367.19354	2.6
373.00171	1.1
378.18750	1.4
379.19330	4.0
380.20264	2.5
381.16830	1.7
381.20886	7.9
391.19864	1.1
393.16638	1.9
393.21252	1.9
394.18076	1.5
396.19763	1.6
406.17792	1.1
407.18906	1.8
408.19736	1.6
409.20319	5.0
410.21368	1.8
411.18225	2.0
420.19666	1.9
421.20395	3.1
422.21524	1.9
423.22012	5.9
424.22787	1.4
425.19745	8.3
433.20850	1.3
435.22284	2.4
436.22937	1.2
437.19745	3.7
438.20596	3.3
439.21249	7.2
440.22580	1.6
446.21362	1.1
447.17743	1.9
448.18842	1.8
453.22708	2.9
454.23773	1.2
462.20432	1.9
463.21295	2.3
464.18289	1.5
465.19531	3.9
466.19666	2.1
467.24811	1.9
468.25433	1.2
469.27094	1.3
477.22739	1.3
479.20798	1.4
480.21582	2.8
481.22437	1.6
482.19208	1.1
483.20590	2.8
493.22580	1.4
495.24179	5.1
496.21915	3.5
497.22250	3.9
499.23737	2.9
507.24136	1.6
509.25397	2.3
512.24139	1.9
513.24963	4.1
521.25171	1.1
525.25702	1.4
527.19470	1.0
527.26624	18.2
528.27472	1.4
535.23608	2.3
541.21326	2.2
552.23718	2.1
555.22119	10.5
569.23566	1.3
577.24493	2.1
583.25610	2.7
599.28552	4.4
609.27118	21.9
625.26611	1.2
641.29602	3.2
642.26880	16.8
643.27631	100.0
644.27942	3.6
685.28680	95.9
686.28778	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01868	2.5
55.05511	4.8
57.03426	2.1
59.04996	0.9
61.02930	1.3
67.05247	1.0
67.05511	10.3
69.03432	9.8
69.07070	7.6
69.40546	3.0
69.40968	3.8
70.06601	0.9
71.05000	24.3
71.27170	0.9
73.02924	1.4
74.41330	0.8
77.03902	0.8
79.05489	9.8
81.03426	4.9
81.07060	15.4
82.18647	0.9
83.04574	1.0
83.04995	14.0
83.08603	2.5
85.02914	19.2
85.06547	1.3
88.30227	0.9
91.05494	9.8
93.07050	20.4
95.04970	6.4
95.08615	18.0
97.02907	6.6
97.06528	10.6
99.04456	5.3
105.07040	17.5
106.70344	0.9
107.04944	2.5
107.08600	13.0
109.02896	4.4
109.06512	8.1
109.10164	6.8
111.08083	9.2
117.07011	1.6
119.04939	1.6
119.08583	8.1
121.06512	20.2
121.10143	2.7
123.08054	7.2
123.11697	3.3
125.06007	14.6
127.03903	6.0
127.11200	100.0
129.06992	1.7
131.08540	3.2
133.06494	3.5
133.10161	6.3
135.04422	1.8
135.08069	6.7
137.05975	22.1
139.07573	4.7
142.07797	1.9
143.07051	13.7
143.08565	2.9
145.04927	2.5
145.06441	0.8
145.10104	3.4
147.08076	2.8
147.11696	15.1
149.06004	1.2
149.09610	8.1
149.13219	2.1
151.07550	66.8
151.11145	1.6
152.07999	0.9
153.09094	1.3
157.10158	5.8
159.06586	2.0
159.08031	4.1
161.05872	2.0
161.09558	1.1
161.13277	2.2
163.07527	5.8
163.11179	1.3
165.09085	2.1
165.12781	4.7
169.12207	4.9
171.10358	1.0
171.11707	3.9
173.09647	9.6
175.07564	1.6
175.11185	11.8
177.09116	43.5
187.06024	3.1
189.09099	1.2
189.12766	6.9
191.10672	12.8
193.12270	9.7
199.11191	5.5
205.07043	2.0
207.10147	1.3
207.13765	5.1
211.13306	8.6
215.14325	3.2
217.12227	17.4
229.12254	1.0
229.14433	2.7
233.15384	56.4
234.15833	0.8
235.13303	21.9
251.16438	30.9
253.14348	14.7
271.15344	1.8
313.12836	5.9
377.19186	0.9
405.15588	1.0
420.57867	0.8
455.22925	1.9
486.62860	0.9
665.35284	1.4
684.91351	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3081
Annotation	Swietephragmin C
Peak:m/z	Relative Intensity
53.03960	0.7
55.01891	0.7
55.05511	0.8
57.07053	0.8
62.65364	0.7
66.35705	0.7
67.05509	1.4
69.03795	0.7
75.04480	4.5
79.05508	2.3
81.07053	2.3
87.22850	0.9
91.05494	1.4
93.07049	0.9
94.06556	0.8
95.08606	1.4
105.07060	1.6
106.06559	2.7
109.10130	0.8
117.07034	0.9
120.08148	0.9
134.06027	9.8
145.86256	0.9
152.07074	0.9
155.60983	0.7
172.03949	1.5
178.05067	1.2
183.09195	1.1
186.34918	0.8
197.10764	1.1
204.06566	1.6
209.10756	1.5
211.12216	1.3
212.13091	1.3
221.10706	1.4
223.08711	2.3
223.12305	2.1
225.10280	1.6
234.11421	0.8
236.09534	1.0
237.10246	1.8
239.11707	1.1
240.12560	1.3
241.13457	1.1
249.10297	2.7
249.13799	1.7
251.08179	5.8
251.11852	2.1
253.13431	1.5
255.15028	2.8
263.08160	0.8
263.11844	1.4
265.13452	1.3
277.09924	2.6
279.11285	1.3
284.11652	0.8
297.12323	1.1
311.10684	1.1
311.13904	1.1
314.12787	1.1
323.80457	0.9
325.11969	1.2
326.12997	2.0
328.14606	1.0
331.02997	0.9
333.20563	1.7
337.11798	4.5
338.12744	1.0
339.10025	1.2
339.13806	1.5
340.14667	2.0
354.12366	1.7
354.16299	1.4
368.13834	1.5
374.14914	1.0
382.15750	0.9
390.18900	1.0
404.16260	0.9
414.17255	0.8
416.16315	1.3
417.17416	1.8
418.17896	1.9
419.18613	1.4
428.16443	2.1
429.16968	2.2
430.17627	1.2
431.14517	1.3
432.15549	1.4
433.20331	1.9
442.17676	2.2
445.20544	1.7
446.17172	1.7
447.17184	1.0
447.22409	1.0
459.17975	1.6
461.19446	5.3
462.20819	1.5
463.21115	1.2
470.17426	1.3
471.18027	1.0
473.19620	2.6
475.21674	1.7
489.18265	4.0
493.22397	1.3
503.20541	2.3
505.22379	2.3
517.17529	1.2
517.22369	2.5
518.23285	1.1
521.22015	2.9
529.18610	1.1
531.20197	2.5
533.21814	2.8
535.23297	3.0
545.21655	1.6
547.22455	1.2
548.24115	2.8
549.24542	1.8
559.23535	2.1
561.21301	3.2
562.21716	2.2
576.24152	4.8
577.24725	4.0
580.22852	4.9
591.26355	8.3
608.26282	2.1
609.27448	4.2
610.64813	1.0
619.25323	7.2
623.28937	7.2
635.24890	1.0
636.25787	8.8
637.26343	1.5
651.28180	100.0
652.28809	13.4
653.26331	1.8
683.30542	69.8
683.44434	16.5
684.30481	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	679.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.05504	10.9
57.03429	3.7
57.07058	4.8
64.44656	3.0
67.05513	21.0
69.07050	12.0
70.06622	3.6
71.04970	3.2
71.07330	3.4
71.08617	3.3
71.49033	2.6
79.05488	15.2
81.03406	4.4
81.07061	15.7
82.07356	3.5
83.08610	7.0
86.09718	22.3
91.05459	8.9
93.07024	12.2
95.04961	3.7
95.08592	11.2
97.06547	7.3
98.20772	4.8
98.98492	2.9
100.11253	4.8
105.07017	10.6
107.08573	9.6
109.10155	6.2
117.06978	3.6
119.08560	12.6
121.10134	6.8
123.08065	3.0
125.00021	15.5
131.08577	4.2
133.10068	6.6
135.08051	3.3
135.11668	3.3
147.11682	3.9
157.10239	4.5
159.11700	4.3
184.07336	64.0
184.08977	3.4
185.07588	5.8
285.27319	3.5
321.28790	3.0
335.25470	3.8
373.62967	3.3
436.27463	2.9
459.21478	4.9
517.21948	4.9
543.23395	5.6
545.21625	3.0
560.24017	6.0
571.23138	5.9
575.26208	35.7
603.25781	26.1
619.25354	4.3
620.25635	7.8
635.28369	100.0
636.28650	7.0
643.44806	3.6
647.24640	8.7
678.49768	4.1
679.29034	16.4
679.48328	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	680.486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.0
56.05036	0.6
57.03453	0.3
57.07076	0.7
58.06644	0.5
60.08170	6.6
67.05515	0.9
69.07081	0.5
69.82687	0.8
70.06593	0.2
71.07384	3.8
71.08642	0.7
79.05505	0.5
81.07076	0.7
82.99904	0.2
83.08629	0.7
85.10202	0.2
86.09715	32.0
87.10069	0.2
91.05494	0.2
93.07053	0.3
95.08603	0.4
97.10184	1.2
98.98471	3.1
104.10751	2.3
105.07043	0.2
107.08604	0.5
109.10172	0.4
111.08008	0.2
121.10153	0.3
125.00020	21.1
125.09618	1.1
166.44975	0.2
175.06839	0.2
184.07359	100.0
185.07698	0.9
186.07886	0.2
188.07068	0.4
189.11246	0.7
202.15959	0.4
227.12794	2.3
245.13870	1.9
246.14946	2.1
264.15903	0.3
289.61255	0.2
295.26172	0.2
313.27328	1.5
396.91000	0.1
449.94421	0.2
483.36713	1.2
506.76971	0.2
559.23395	0.2
591.72217	0.2
680.48682	4.4
681.43243	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.1
55.01870	4.8
55.05516	28.9
57.03439	10.9
57.07064	4.3
59.05014	2.2
65.03942	6.6
67.05511	100.0
69.07072	22.7
69.14493	22.9
71.04996	4.8
71.08634	2.9
79.05499	50.5
81.07063	86.4
83.04993	5.0
83.08628	17.5
85.06553	5.6
86.09710	2.7
91.05486	44.2
93.06482	4.0
93.07051	62.5
95.04955	9.9
95.08615	45.4
97.06564	9.7
97.10175	10.6
98.06067	4.9
99.04449	2.2
99.08135	3.0
102.03375	2.0
105.07039	31.2
107.04960	2.5
107.08594	41.5
109.06528	3.8
109.10168	47.4
111.08074	3.4
117.07028	14.0
119.08602	24.1
121.06509	2.9
121.10149	27.2
123.08063	4.4
123.11694	7.1
125.00012	2.8
125.09655	5.9
129.07016	4.0
131.08585	21.7
133.10153	20.2
135.08057	3.0
135.11697	15.3
137.09628	3.5
139.11172	3.5
143.08545	4.8
145.10141	14.9
147.11748	9.7
149.09592	5.7
149.13258	9.4
151.11258	3.2
155.10718	2.7
157.10121	6.0
159.11710	12.7
161.13240	7.2
169.10133	2.4
171.11725	2.7
173.11757	5.5
173.13272	8.6
175.14737	3.1
184.07407	12.4
187.14845	4.6
199.14809	2.2
221.22406	1.9
227.12753	8.0
229.14401	26.4
239.18007	3.3
243.21117	2.8
257.19040	4.1
259.20779	2.1
261.22162	10.4
269.17422	12.3
275.20059	19.6
293.21222	3.9
317.24692	2.5
335.25790	67.5
336.26508	2.6
342.09180	2.2
349.23761	10.3
367.24774	8.9
390.24438	2.1
467.37503	3.9
489.35889	20.7
512.87195	2.4
527.37079	3.7
529.38983	30.9
569.41669	6.6
609.45197	15.5
627.45972	11.6
680.41986	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	678.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71138	0.5
53.03935	2.0
55.01862	1.5
55.05511	6.5
56.05016	0.5
57.03444	4.2
57.07061	1.1
59.04980	0.6
60.08163	6.7
61.94906	0.4
65.03938	1.3
67.05505	24.0
69.03437	0.9
69.07069	15.1
71.04999	4.8
71.07379	4.0
71.08620	0.6
71.52100	0.6
73.02905	1.6
79.05495	20.5
81.03426	3.2
81.07056	20.0
83.04989	3.4
83.08624	2.5
84.08113	0.5
85.06520	0.9
86.09708	30.3
91.04911	0.8
91.05485	15.3
93.07047	18.8
95.04966	4.1
95.08606	13.0
97.06533	18.6
97.10155	0.9
98.61450	0.4
98.98472	3.2
99.08080	1.9
104.10738	2.3
105.04533	1.0
105.07035	9.8
107.04933	1.6
107.08598	8.4
109.06522	3.2
109.10162	4.7
111.08041	1.4
115.05444	0.6
115.07565	7.2
117.07003	5.6
119.08587	7.5
121.06522	1.5
121.10144	7.6
123.08057	1.4
123.11691	1.6
125.00005	20.9
129.07007	2.2
131.08577	6.3
133.06471	0.9
133.10132	6.1
135.08063	1.7
135.11693	4.3
137.09616	0.8
143.08562	1.9
145.10130	5.1
147.08011	1.5
147.11685	2.9
149.09645	1.1
149.13255	2.2
151.11188	1.0
155.08597	1.0
157.10107	1.6
159.11694	3.8
161.09616	1.7
161.13225	1.8
161.23393	0.5
163.11159	0.8
163.14822	0.9
169.10130	0.8
171.11671	1.1
173.13278	1.9
175.11214	1.1
175.14848	0.7
177.12796	1.1
183.11702	1.0
184.07344	100.0
185.13290	0.9
187.11320	0.7
187.14775	0.8
193.12064	0.7
195.11659	0.6
195.13808	0.9
199.14882	0.6
200.30971	0.5
209.13379	0.6
217.15907	2.0
227.17957	1.0
233.15413	1.1
233.79041	0.6
237.16472	0.6
245.19008	1.4
253.14374	1.8
255.17628	0.7
259.20587	0.7
261.22086	1.4
267.15869	0.9
269.17474	1.5
273.18503	5.9
275.19955	0.5
284.73700	0.5
291.19510	3.4
297.17044	0.7
335.25781	9.9
347.22171	0.9
363.25446	1.3
365.23279	1.2
405.30298	0.6
468.65445	0.5
529.38788	6.6
625.44537	1.6
643.45569	1.0
678.46820	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	677.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.01863	3.4
55.05520	17.7
57.03423	5.5
57.07079	6.7
61.02929	30.9
63.80597	1.9
65.03936	3.5
67.05508	86.4
69.03421	4.0
69.07066	15.9
70.86576	1.9
71.08636	4.7
73.02930	10.9
73.28236	2.0
78.53222	2.1
79.05495	55.0
81.03425	2.4
81.07059	88.7
83.04956	2.3
83.08613	10.4
85.02901	29.8
85.06532	2.8
89.82439	2.1
91.03955	28.8
91.05478	30.7
91.18997	1.8
93.07044	69.1
95.04954	4.0
95.08609	72.4
95.91923	1.7
96.97039	1.9
97.02897	14.6
97.06538	3.4
97.10186	4.3
99.04435	2.3
99.08086	3.4
105.07037	24.6
107.08588	46.0
109.06535	2.8
109.10159	40.9
111.08064	2.8
111.20232	1.9
115.03880	2.4
117.07018	13.8
119.08601	21.7
121.10140	43.0
123.08083	1.9
123.11707	16.8
127.03936	10.7
131.08585	27.4
133.10141	21.1
135.11687	31.3
137.09616	4.0
137.13246	7.3
145.05002	13.1
145.10124	18.9
147.11687	16.2
149.13249	21.1
151.14803	2.9
157.10185	2.4
159.11687	16.7
161.13219	14.0
163.06032	20.4
163.14850	18.0
165.12820	2.7
171.11893	2.0
173.13280	16.1
175.14839	4.2
177.16348	6.6
179.14246	2.2
187.14877	11.8
201.16377	3.6
205.15872	3.2
207.04842	1.8
212.39693	2.1
215.17844	2.2
233.22525	3.8
243.21100	38.7
261.22153	100.0
276.80640	2.0
294.10739	1.9
335.25662	16.1
353.26886	32.0
617.22162	7.2
645.21564	5.7
646.89484	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90805	2.0
53.03947	5.5
55.05519	22.5
57.03431	6.0
57.07057	4.5
61.02923	19.7
65.03951	4.3
67.05511	85.6
67.35258	2.0
69.03425	4.0
69.07072	15.5
69.30510	12.0
69.30935	7.0
69.36024	2.1
71.04979	4.4
73.02907	5.0
76.70494	2.0
79.05499	53.5
80.06271	2.1
80.69398	1.9
81.03419	2.6
81.07064	100.0
83.04980	4.4
83.08627	10.6
85.02915	17.8
85.06553	4.7
91.03974	16.5
91.05495	28.8
93.07051	54.5
95.04947	4.9
95.08614	70.8
97.02869	7.4
97.06521	6.4
97.10161	3.8
98.20762	4.3
105.07041	22.3
107.08611	38.8
109.10164	41.3
111.08028	2.3
117.07007	12.3
119.08580	20.1
121.10146	37.8
123.11730	16.2
127.03923	5.3
131.08568	17.9
133.10136	14.6
135.08119	2.2
135.11707	28.6
137.09644	3.8
137.13266	8.7
139.11214	2.2
143.08583	3.3
145.04964	6.7
145.10115	16.8
147.11720	11.8
149.13277	22.4
151.14818	3.5
153.12790	2.6
159.11720	12.9
161.13286	13.4
163.06068	11.8
163.14828	13.4
165.12703	3.3
173.13297	13.9
175.14853	4.9
177.16382	7.3
187.14767	7.0
191.14244	3.0
233.22694	3.1
243.21078	31.1
261.22162	87.8
268.52649	2.3
279.23166	6.3
302.04141	2.3
321.49524	2.2
335.25836	31.9
353.26871	23.8
359.02277	2.4
390.94998	2.8
413.49710	2.4
497.31168	4.7
622.00543	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	678.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.2
55.01888	5.8
55.05519	31.1
57.03437	21.7
57.07076	4.7
65.03934	4.0
66.91644	2.2
67.05507	100.0
67.36517	2.2
69.03428	3.6
69.07069	27.9
69.30034	2.3
69.30398	21.8
71.04989	14.2
74.22722	2.5
79.05496	77.6
81.03411	8.9
81.07066	82.8
81.20030	2.5
83.04984	13.1
83.08610	16.4
85.06535	5.3
86.09700	10.5
91.05485	67.0
92.05822	2.5
93.06487	5.2
93.07047	76.8
95.04999	14.5
95.08609	56.3
97.06522	10.8
97.10180	13.8
98.20791	4.5
98.98484	3.0
99.08087	5.5
100.65202	2.4
105.04466	2.8
105.07029	50.7
106.88668	2.4
107.04925	5.8
107.08595	59.1
109.06518	11.6
109.10167	29.3
111.08083	10.1
117.07015	22.8
119.08587	37.7
121.06516	3.6
121.10140	34.0
123.08083	6.0
123.11685	10.3
125.00034	6.8
125.09637	9.0
129.07004	12.4
131.08577	30.6
133.10126	30.8
135.08073	6.0
135.11740	14.7
136.06161	8.2
137.09610	5.4
139.11214	7.2
141.06961	5.6
142.07770	3.1
143.08563	10.0
145.10143	24.4
147.11710	18.3
149.09599	9.8
149.13255	6.5
151.11185	3.2
157.10138	9.7
159.08093	3.1
159.11667	15.8
161.13274	11.1
163.11154	6.5
163.14801	4.3
167.10600	2.9
169.10080	4.4
171.11630	13.3
173.11768	6.1
173.13268	8.2
175.11043	2.4
175.14868	7.0
183.11667	4.9
184.07336	31.3
185.13266	8.6
187.14813	10.4
189.11159	3.1
189.12703	2.8
191.14201	2.6
197.13280	3.7
199.14896	5.7
203.12746	4.0
205.15906	4.4
213.14767	3.5
219.17506	3.6
221.15253	3.3
223.16853	2.4
227.12752	6.5
229.14343	7.6
229.19469	3.4
239.18056	4.9
241.14294	3.0
241.19455	5.0
257.18863	8.4
259.20602	11.1
275.20108	31.9
277.21576	9.9
293.21103	14.7
333.24429	4.9
335.25705	5.9
344.28448	2.9
346.29495	2.5
349.23654	4.8
351.25247	10.5
365.23468	2.8
367.24561	7.1
506.39078	6.5
625.44440	5.4
648.28894	2.6
657.47754	2.8
678.46509	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	676.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.0
55.01868	11.6
55.05516	56.3
57.03450	26.2
57.07056	5.5
61.39147	3.0
65.03939	5.8
67.05509	92.8
69.03441	7.6
69.07072	49.0
71.04998	10.5
71.08638	8.8
71.50998	4.3
76.58569	3.6
78.01831	4.0
79.05497	100.0
81.03443	18.6
81.06590	5.7
81.07063	86.8
82.10213	3.3
83.04999	10.9
83.08623	21.1
85.02898	4.6
91.05486	77.8
93.07056	86.7
95.04981	23.9
95.08615	54.7
97.06530	28.1
97.10165	23.5
99.08042	3.8
105.04565	4.4
105.07045	55.5
107.04945	27.9
107.08599	52.3
109.02888	3.9
109.06509	24.8
109.10155	37.6
111.08111	6.9
113.06036	6.3
115.05487	4.0
115.07642	5.1
117.07029	18.8
119.07834	3.9
119.08601	46.8
121.02890	23.9
121.06506	31.2
121.10155	38.6
123.04420	4.5
123.08076	20.0
123.11710	10.5
125.06000	10.4
125.09635	16.6
129.07007	12.6
131.08572	34.6
133.06485	6.0
133.10143	25.3
135.08009	17.9
135.11696	19.1
137.09593	8.8
143.08591	9.8
145.06447	5.3
145.10159	22.6
147.08061	13.4
147.11707	21.9
149.09615	4.2
149.13261	10.5
151.07527	5.4
151.11189	6.1
153.09146	5.8
155.08690	3.6
157.10141	13.2
159.08063	51.5
159.11717	12.1
161.09656	6.8
161.13304	7.2
163.07562	14.5
163.11182	4.9
167.10626	4.8
169.10162	8.4
173.09641	5.7
173.13293	9.4
175.11198	6.4
177.09090	5.0
179.14340	12.4
184.07323	6.6
185.13260	4.2
187.14792	7.9
189.11195	11.3
193.12206	5.7
199.11128	5.3
217.15929	4.2
219.13756	9.2
219.17458	5.3
227.12852	18.5
233.15396	29.2
237.14742	5.1
243.17528	4.7
247.13229	8.8
253.16124	5.0
261.18607	6.2
261.22171	9.4
263.16714	3.6
267.15985	5.3
271.16989	15.2
273.18668	4.5
277.21613	6.2
289.18002	57.1
307.18982	20.2
313.16467	5.9
335.25830	82.3
351.25177	4.5
363.21719	10.2
381.22693	9.7
463.12738	3.7
501.35449	5.3
504.37650	6.3
523.68933	3.8
527.37561	4.2
565.17255	3.8
573.37927	5.7
623.42719	14.8
641.44257	17.6
676.26459	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	677.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79002	0.5
51.32020	0.7
55.05506	1.0
57.03420	0.8
67.05495	1.6
68.87570	0.6
69.03437	4.0
70.04341	0.6
71.05010	0.7
75.06634	0.6
79.05497	1.8
81.07050	2.3
83.01342	0.6
85.02914	3.8
85.06534	1.7
87.04461	0.7
91.05457	1.1
92.81242	0.5
93.07018	0.7
95.08613	2.9
97.02903	3.0
105.07052	1.8
107.08581	2.4
109.02875	0.6
109.06536	1.1
117.07034	0.9
121.06514	8.3
121.10190	0.8
123.08052	1.3
125.05938	0.7
125.09641	1.7
127.03914	1.3
129.07027	0.7
133.06487	0.7
133.10086	0.7
135.08067	2.7
135.11716	0.7
137.05977	12.0
140.49081	0.6
143.08603	1.5
143.10703	1.0
145.10109	3.1
147.08058	0.8
149.05995	2.6
149.09641	0.8
151.07550	18.0
152.44292	0.6
161.05980	2.5
161.09612	1.9
162.06796	1.4
163.07538	7.0
163.11169	4.0
165.42924	0.6
170.31387	0.7
171.08073	0.8
173.09621	3.0
174.06845	0.8
175.07571	12.0
175.11169	0.8
176.08333	3.1
177.09117	5.4
185.13269	0.8
189.09132	7.8
191.10684	100.0
192.11047	1.2
205.12294	0.7
207.10220	1.4
209.11661	1.2
213.12859	0.6
215.10626	1.4
215.14252	0.7
216.71599	0.6
219.13777	1.6
229.12280	1.5
231.13809	32.9
233.15468	0.8
247.13260	1.4
249.14896	15.0
273.14920	0.6
289.18109	0.9
299.12445	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96303	0.3
55.05511	0.5
67.05514	1.2
70.06341	1.2
76.29599	0.4
79.05499	1.2
81.03410	0.5
81.07052	1.2
83.05014	0.4
83.08627	0.5
91.05465	0.8
93.07056	0.8
95.04975	0.4
95.08654	0.4
105.07043	0.6
117.07086	0.4
119.08592	0.7
121.10175	0.5
131.08569	0.5
133.10199	0.4
145.10139	0.5
163.07538	0.4
196.76472	0.4
347.09650	0.7
515.31940	21.4
516.32227	0.7
677.37201	100.0
678.37573	4.6
699.21887	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04849	0.9
58.56624	0.9
67.05495	1.6
69.29864	4.9
69.30282	2.5
73.25151	0.9
81.07057	1.8
91.05476	2.1
95.08606	1.0
98.21468	2.1
105.07033	1.0
107.08556	1.1
109.10163	1.2
117.06979	0.9
130.83852	0.9
133.10248	0.9
143.75710	0.9
157.10155	1.0
184.07365	1.2
302.99338	1.0
370.10953	1.2
384.12122	3.4
385.12994	14.7
386.13852	6.1
397.13052	2.1
398.13724	8.9
399.14572	25.2
400.15381	60.6
401.15662	5.3
410.13525	1.2
411.14725	2.2
412.15347	9.8
413.16248	20.8
414.16913	26.5
415.17831	4.8
424.15222	1.3
425.16037	2.6
426.16803	2.5
427.18164	12.3
428.18646	16.3
429.19290	47.9
430.19421	1.6
440.14908	1.5
441.15048	1.7
441.20038	1.8
442.16199	6.2
443.13657	3.9
444.14349	12.6
447.20230	2.1
453.15692	1.1
454.16327	1.6
455.17297	20.0
456.17776	4.9
457.14929	4.2
457.19788	1.5
458.15897	4.2
459.16962	6.2
467.13095	1.1
469.18646	3.1
472.17831	6.3
473.18304	21.4
474.19302	1.5
479.12921	1.3
481.15057	1.5
482.15472	2.2
483.16553	11.4
484.21399	1.3
487.16321	5.1
495.16626	2.2
496.17273	1.7
497.18326	1.5
499.16016	3.1
501.17538	10.2
502.18289	2.8
511.19833	2.0
512.20294	1.4
516.23792	11.2
527.15491	6.4
529.21094	1.7
539.19397	10.8
540.19550	13.6
541.19452	1.4
543.22424	14.4
544.23297	35.1
545.23010	1.5
546.20917	1.2
555.18683	4.4
559.21564	1.2
560.22845	11.4
569.20258	1.7
570.20538	3.8
571.22015	55.6
572.22266	22.2
573.20154	3.2
575.25049	4.0
587.21436	5.6
588.22223	100.0
589.22498	6.7
601.22626	3.3
603.24396	4.3
615.20660	7.8
616.21436	8.6
619.23737	4.6
629.22559	18.1
630.22437	1.4
631.24060	6.2
647.23199	6.5
657.21942	20.2
658.22314	1.9
675.22955	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31760	0.3
66.13187	0.2
70.75991	0.6
104.49042	0.3
113.53581	0.3
143.09605	0.3
183.32500	0.3
214.17696	0.3
214.30724	0.3
299.90836	0.3
439.14017	0.7
453.16080	0.5
454.16562	1.0
455.13000	0.6
456.14163	0.5
467.13486	1.2
468.13815	2.5
469.14899	9.7
470.15775	2.0
471.16779	0.4
479.17267	0.4
481.14798	2.5
482.15854	12.9
483.16641	11.9
484.17264	2.6
495.16571	1.1
496.17508	5.6
497.18228	50.3
498.18863	6.2
499.19427	0.6
500.16849	0.5
501.17682	0.3
510.19217	2.1
511.19809	6.8
512.20587	1.8
515.19208	1.3
523.16467	0.5
524.17017	0.4
527.15375	0.7
528.16547	2.6
529.17395	0.3
538.19800	0.5
539.19226	0.5
541.17468	1.1
542.17871	3.8
543.18903	0.4
555.18823	1.6
556.19550	3.8
557.20319	3.8
558.20734	0.5
569.20605	0.9
571.21838	0.8
611.20850	0.4
616.21741	1.1
629.22791	0.7
630.22986	0.6
643.24146	6.9
644.24713	8.9
645.25214	1.7
657.25610	8.3
658.25946	0.5
675.26605	100.0
676.26819	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	675.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54173	1.9
50.54414	1.9
51.02385	1.8
53.03950	2.8
55.01848	4.7
55.03945	1.9
55.05511	20.4
55.84394	2.2
57.03424	4.1
57.07068	6.8
67.05508	15.0
69.07074	20.1
70.65520	1.7
71.04996	2.6
71.08618	4.8
79.05483	12.8
81.03423	39.0
81.07057	12.5
83.04958	3.9
83.08624	22.8
85.10175	4.1
91.05479	14.4
93.07031	8.4
95.04968	16.0
95.08616	10.3
97.06496	2.6
97.10188	13.2
98.59567	2.2
98.98472	19.2
102.61485	2.0
105.07026	10.4
107.04979	3.0
107.08566	4.1
109.10160	4.5
111.08068	4.6
111.11732	4.9
115.05440	2.5
119.08558	8.9
121.10129	7.4
125.87593	2.3
129.06981	5.4
131.08553	4.5
133.10095	3.9
136.06165	6.1
145.10114	3.2
147.08115	2.4
147.11687	4.3
157.03287	2.1
157.10129	5.9
158.19614	2.1
175.11180	4.7
181.28616	2.1
184.07321	3.7
193.12260	17.4
249.14874	5.6
267.15979	16.6
311.25705	11.7
458.61942	2.5
503.37360	100.0
504.37720	2.6
547.27838	2.4
587.25317	2.3
643.25269	34.2
644.25415	2.5
675.28894	9.0
675.43115	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	674.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89726	0.2
55.05511	0.4
56.05030	0.8
56.99920	0.2
58.06626	0.5
60.08170	5.9
66.53054	0.2
67.05508	2.1
69.03423	0.4
69.07065	0.3
69.35935	1.5
71.07380	3.7
79.05501	0.9
80.19154	0.2
81.03420	0.3
81.07066	1.1
81.92180	0.2
82.07384	0.2
83.08620	0.4
86.09713	30.6
88.53455	0.2
89.30932	0.2
91.05499	0.7
93.07027	1.0
95.08646	1.2
96.08962	0.3
98.20733	0.4
98.98479	3.2
102.69172	0.2
104.10746	2.0
105.07022	0.6
107.08591	0.3
109.10172	0.5
117.07083	0.2
119.08573	0.3
125.00016	21.2
131.08601	0.5
132.08971	0.3
154.65863	0.2
164.47749	0.2
184.07356	100.0
185.07652	0.7
218.67535	0.2
219.75859	0.2
449.19095	0.3
481.21661	0.4
581.23218	0.6
599.24725	0.3
624.24872	0.4
642.25946	0.6
674.43939	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	674.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62788	0.2
54.15428	0.2
55.05519	0.6
56.05029	0.8
57.03419	0.3
58.06618	0.3
59.07404	0.4
60.08167	6.1
67.05515	2.2
69.03425	0.3
69.07076	0.4
71.07378	3.4
71.52306	0.4
72.73697	0.2
79.05492	1.3
81.03412	0.3
81.07047	1.5
82.07404	0.3
83.08646	0.2
84.08919	0.2
85.02921	0.2
86.09709	29.6
91.05497	1.3
93.07022	0.9
95.04983	0.3
95.08628	1.1
97.10201	0.2
98.98466	3.6
104.10756	2.2
105.07024	0.5
107.08620	0.7
109.10144	0.5
117.07029	0.3
119.08589	0.4
121.10151	0.3
125.00010	19.7
129.06989	0.3
131.08542	0.4
133.10205	0.4
137.09576	0.2
141.72217	0.2
145.10149	0.3
147.11697	0.4
151.86171	0.2
184.07349	100.0
185.07663	0.4
215.12726	0.3
238.14426	0.2
572.24695	0.5
600.24347	0.3
630.29291	0.3
642.25879	0.3
674.27649	3.5
674.43488	4.1
675.28424	0.3
675.43744	0.2
695.39087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48973	1.5
51.84261	1.5
55.05511	3.3
67.05492	5.4
69.07072	1.9
69.74719	4.3
69.75129	4.8
71.08807	1.5
79.05495	3.9
81.03427	2.5
81.07044	3.9
83.04961	2.5
91.05463	2.9
93.07054	3.6
95.08611	1.9
99.88499	1.5
105.07021	3.2
109.10133	1.8
116.28058	1.4
119.08592	2.5
121.39568	1.6
129.06931	1.7
161.09599	1.9
193.99034	1.5
197.13190	1.6
398.13852	5.7
399.14395	1.8
400.16452	8.0
409.34067	1.5
412.15234	5.8
413.15982	6.5
418.40195	1.6
425.16641	2.3
427.17761	10.9
428.17731	7.1
437.16495	1.9
440.14252	2.2
445.18564	2.0
446.16736	2.1
455.17264	25.2
456.17926	2.4
458.15964	2.1
459.16602	4.6
471.16812	2.6
481.15277	3.2
482.16174	1.9
483.16815	23.8
487.15979	3.6
495.16507	3.5
499.15958	3.7
509.14484	2.1
511.16318	2.9
523.15802	6.3
524.16840	3.5
527.15497	21.3
528.15735	4.7
537.17474	3.7
539.19421	26.8
540.19714	3.0
541.17212	2.6
557.20337	6.8
560.22339	5.5
570.17029	2.9
587.21130	5.2
588.22229	36.8
589.22272	3.0
615.20813	32.4
616.21112	9.2
643.20398	100.0
644.20703	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	673.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	2.8
53.03936	7.9
54.23030	2.0
54.88925	2.1
55.01867	6.5
55.05518	28.8
57.03425	4.4
57.07069	6.6
65.03934	5.5
67.05508	83.5
69.03436	32.6
69.07069	25.7
70.45545	2.1
71.04991	7.9
71.51874	3.3
78.64816	2.0
79.05497	62.3
81.03424	29.3
81.07059	100.0
81.56834	2.0
83.04987	14.4
83.08636	13.5
85.02897	5.0
85.06532	5.2
86.09718	4.5
91.05486	60.3
93.06484	4.3
93.07047	67.2
95.04964	17.6
95.08064	3.9
95.08616	48.4
97.02882	5.9
97.06539	8.6
97.10162	5.0
98.98470	3.5
99.04462	4.0
105.06403	3.2
105.07039	42.4
107.04931	8.6
107.08606	39.7
109.02879	4.1
109.06513	7.6
109.10168	20.0
111.04453	4.6
111.08063	5.6
115.05453	5.4
117.07018	22.8
119.08590	28.5
121.06495	5.8
121.10156	26.5
123.04441	3.9
123.08045	7.0
123.11696	7.0
125.09615	4.1
127.03918	5.3
128.06212	1.9
129.05542	2.6
129.07018	14.8
131.08572	25.3
133.06496	6.6
133.10141	24.2
135.08072	7.8
135.11722	18.1
137.05968	2.2
137.09584	4.8
141.07034	6.0
143.08554	10.6
145.06485	5.7
145.10135	18.0
147.08066	6.1
147.11685	17.1
149.06076	2.2
149.09636	5.8
149.13289	18.4
151.07578	2.4
151.11234	2.5
155.08531	7.5
157.10141	10.5
159.08063	5.6
159.11699	20.3
161.09560	3.0
161.13237	7.1
163.11200	4.8
163.14771	3.1
165.12819	4.0
167.08673	3.5
169.10158	5.2
171.11705	8.4
173.09625	4.1
173.13277	7.3
175.11183	5.0
175.14856	3.1
177.09152	2.4
177.12706	6.9
181.10135	4.1
183.11700	4.5
185.13234	6.4
187.11131	3.1
187.14851	6.3
189.12790	4.6
195.11887	3.2
195.13834	12.0
197.13292	3.1
199.14824	3.7
201.12691	2.9
205.12143	2.2
211.14819	2.6
213.12907	2.9
213.14778	3.8
233.15271	2.6
259.20847	2.5
261.22195	3.2
269.17395	12.7
275.16306	3.2
277.21741	3.7
301.21628	6.0
319.22659	2.6
327.23090	3.1
335.25812	3.7
339.18063	3.0
351.23123	4.5
369.24432	12.6
377.19257	2.7
387.25107	6.7
395.20490	5.6
405.26251	3.7
443.27963	5.7
461.28757	4.9
519.79974	2.2
599.39667	2.8
614.34375	4.7
637.40759	7.9
639.83624	2.3
655.41687	8.6
673.30872	20.1
673.42725	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	673.43
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	2.5
53.03954	10.6
55.01880	9.6
55.05511	33.1
57.03450	8.7
57.07084	3.7
65.03958	5.0
67.05508	91.6
69.03437	38.9
69.07067	25.4
71.05016	7.7
79.05503	68.1
81.03420	29.8
81.03791	2.7
81.07063	100.0
81.07531	5.4
83.05000	14.5
83.08627	17.3
85.02921	8.0
85.06551	5.6
89.06036	6.1
91.05491	66.8
91.06023	4.0
93.07047	77.3
95.04983	18.2
95.08614	49.0
97.02898	6.1
97.06567	12.0
97.10226	3.2
99.04477	3.6
99.08160	2.6
105.04540	2.5
105.07045	43.8
107.04987	8.4
107.08604	41.8
107.78180	2.4
109.02895	5.0
109.06560	7.4
109.10175	12.5
111.04464	8.3
111.08123	5.6
115.05518	3.4
117.07033	26.1
119.08577	28.4
121.06553	9.7
121.10152	30.0
123.04449	3.8
123.08112	4.5
123.11731	9.8
127.03991	4.2
128.06277	3.6
129.07016	15.7
131.08577	33.0
131.09431	3.6
133.06502	3.4
133.08667	2.6
133.10149	32.0
135.08102	8.6
135.11731	15.2
137.06050	3.0
137.09624	4.4
139.07605	3.7
141.07022	4.2
142.07852	2.7
143.08591	12.8
145.06528	7.1
145.10132	21.9
147.08133	4.4
147.11687	17.0
149.09695	8.1
149.13264	20.7
155.08620	10.2
157.10135	14.3
159.08046	6.5
159.11699	19.7
161.09657	6.8
161.13290	6.0
163.11208	4.8
165.12865	3.1
169.10191	7.2
171.08109	3.0
171.11739	10.7
173.13333	11.8
175.11223	5.8
177.12776	8.3
181.10162	3.0
183.11725	5.9
185.13344	8.1
189.12784	6.4
195.12042	3.5
195.13898	14.2
197.09647	2.9
199.11372	3.2
199.14821	6.4
209.13228	4.3
221.13519	3.5
223.14809	3.0
229.54962	3.6
233.15303	3.2
259.20572	4.5
269.17587	22.3
277.21710	6.0
301.21729	6.1
315.23563	3.9
319.22870	2.8
321.16919	3.1
327.23206	4.7
335.25763	3.4
339.18051	4.1
351.23114	5.4
369.24371	17.2
387.25186	7.0
428.30554	2.7
443.28214	3.1
461.29163	11.5
463.56955	2.9
522.36298	2.7
609.27753	4.0
637.40570	10.7
641.29694	3.2
654.74896	3.3
655.30658	6.1
655.41919	14.5
673.31384	16.2
673.42944	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	673.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
56.05052	0.8
60.08168	5.6
67.05502	2.5
71.00864	1.4
71.07362	3.0
79.05492	2.1
81.07053	1.4
81.08234	0.8
86.09715	21.8
87.10037	2.5
91.05498	1.4
93.07045	1.3
95.08621	1.0
98.98457	3.5
104.10722	1.2
120.08069	0.9
125.00014	18.8
125.00903	1.4
126.00406	0.8
145.07527	0.8
174.09154	0.9
177.05298	0.9
184.07356	79.9
185.07721	11.8
195.09233	1.4
196.09888	1.2
197.10799	1.4
199.08675	0.9
209.10727	1.0
210.11545	3.1
211.08682	2.6
212.09436	0.9
213.10167	1.1
223.08694	2.3
223.12262	1.2
224.09500	2.8
225.10208	5.0
225.13947	4.6
227.08264	2.1
227.11819	1.6
237.10231	3.0
238.11014	3.2
239.08144	1.9
239.11748	5.6
240.08917	1.0
240.12650	2.7
241.09795	2.8
241.13458	1.2
251.11853	2.7
253.09706	2.6
253.13396	27.0
254.13696	1.0
264.08871	1.1
265.13434	1.1
267.07654	1.4
281.09219	2.9
292.10687	1.4
300.11462	1.1
302.09290	1.7
302.12671	1.1
309.08691	1.4
313.11969	3.1
315.13791	1.3
315.23553	0.9
316.10831	1.0
316.14349	1.4
328.14490	0.9
328.54437	0.9
329.11884	1.1
330.12360	1.2
341.11481	0.9
342.12473	1.4
343.13000	1.1
344.10159	1.1
356.13895	1.1
358.11853	1.0
359.12991	1.0
372.13147	1.1
372.17178	5.1
374.15137	6.2
375.15891	1.2
388.11850	0.8
388.16580	5.3
389.17426	5.9
393.13745	1.1
394.14456	1.2
400.16754	4.9
404.19867	17.3
408.16037	1.0
409.16483	1.9
418.14963	0.9
421.13098	2.5
422.13477	1.2
422.18491	1.0
423.18469	1.4
431.18561	1.5
432.19266	8.4
433.16287	1.2
435.14520	2.9
436.15155	2.0
437.16064	2.8
449.15933	2.3
451.17596	4.6
452.18683	1.4
460.19131	4.6
465.19150	1.1
466.20038	1.4
467.20728	3.2
473.16309	1.2
475.21899	0.9
477.15613	2.6
479.16617	1.1
481.22342	2.6
490.19415	1.5
491.19620	1.7
492.21472	32.3
493.18478	2.5
493.21872	3.1
503.21161	4.8
507.20404	7.2
511.19949	3.4
521.22217	5.2
522.23029	1.2
525.21606	1.7
531.20319	2.2
537.25000	1.5
539.23273	6.4
549.21448	9.8
553.24878	4.1
554.25598	1.3
563.22626	3.4
578.08020	0.9
581.23944	13.5
591.22266	3.7
609.23688	1.7
613.26581	40.6
614.26947	1.5
623.25134	8.0
641.26086	100.0
642.26373	3.7
655.27338	2.0
673.28687	14.6
673.41302	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	672.424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59150	0.1
56.05037	0.8
56.67130	0.1
58.06624	0.4
60.01004	0.2
60.08169	6.4
61.82811	0.1
67.05517	0.6
69.07092	0.1
69.30627	1.2
71.07380	3.5
76.86679	0.1
79.05503	0.2
81.07059	0.3
86.09713	31.3
87.10026	0.2
91.05491	0.3
93.07037	0.3
98.98471	3.0
104.10760	1.8
109.10184	0.3
125.00014	20.8
184.07353	100.0
185.07719	0.6
225.10210	0.2
238.10921	0.2
239.08295	0.2
239.11734	0.2
253.13426	1.2
279.31522	0.2
306.02972	0.2
358.12201	0.2
374.15054	0.3
376.03247	0.1
389.17435	0.2
400.16446	0.2
404.19635	0.7
432.19089	0.3
451.17398	0.2
467.20636	0.2
492.21274	0.9
549.20978	0.5
553.24390	0.3
581.23645	0.5
591.21710	0.2
613.26508	1.7
623.24884	0.3
641.16858	0.2
641.26215	3.2
672.42432	2.6
673.28107	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.3
60.08173	3.4
64.11211	1.2
67.05506	4.4
69.07073	1.5
71.07380	1.6
79.05505	3.0
81.03431	1.5
81.07062	4.0
86.09717	10.2
89.23943	1.1
91.05485	2.5
91.11257	1.1
93.07077	2.1
95.04991	1.4
95.08612	2.8
98.98466	1.8
105.07048	3.0
107.08619	1.7
109.10176	1.8
117.07058	1.5
118.06519	1.3
119.08582	1.9
125.00031	9.0
132.08124	1.5
133.10097	1.8
145.10202	1.2
146.06120	1.5
174.09274	1.1
184.07352	36.1
185.07698	4.5
189.58815	1.1
197.10817	1.1
209.10777	2.2
210.11557	2.4
211.12463	1.2
223.12465	1.4
225.13928	1.7
235.12325	1.4
237.14041	2.9
238.14612	1.9
239.15640	1.6
247.12433	1.3
249.13948	2.1
251.15439	1.9
276.14996	1.5
290.16809	1.2
316.14545	1.5
328.18170	1.8
337.15475	1.4
339.16263	1.4
351.16495	1.8
352.17169	3.0
353.17957	2.3
354.19214	1.8
363.16418	1.5
365.17764	2.2
366.18951	2.3
367.19260	5.6
375.16687	1.4
377.17899	2.1
379.19427	3.9
380.20471	2.2
381.17053	3.6
381.20993	4.7
382.17743	1.8
382.22067	1.3
391.19559	3.0
392.20709	1.5
393.17020	1.7
393.21521	1.7
394.17987	1.9
395.18436	6.7
396.19571	3.2
397.20206	1.2
405.16998	5.2
406.18271	1.3
407.18890	3.2
408.19693	2.8
409.20120	7.4
410.21207	6.7
411.21954	8.8
419.18732	2.1
420.19626	6.8
421.20468	2.4
422.21365	4.3
423.22104	6.2
424.22705	2.1
425.23804	2.0
426.24487	1.4
433.20825	2.3
437.19781	5.1
437.24115	3.6
438.24258	4.3
439.25275	4.6
447.22339	2.0
448.18881	17.2
449.23703	3.3
451.21552	2.3
452.22003	3.9
453.23355	2.7
454.24069	9.0
455.24869	1.9
464.18738	1.2
465.18225	2.2
465.23483	3.6
466.24011	10.5
467.24747	3.0
468.21835	1.7
469.22461	3.0
474.21133	1.2
475.17441	10.1
476.18698	3.9
477.19254	1.9
480.21603	23.0
481.26187	4.0
482.23306	7.3
483.24097	11.7
484.24673	16.7
492.22015	2.1
493.19101	4.8
493.21838	3.7
494.18945	2.3
495.20273	1.9
497.25903	1.6
498.26437	3.0
503.20926	2.2
504.21722	1.6
506.19373	1.3
507.20026	5.7
508.21317	4.5
509.23972	1.2
510.22800	3.8
511.23508	11.4
512.24365	1.7
519.24536	1.6
520.21356	3.4
521.22229	3.5
525.25330	5.7
526.25800	9.5
533.18658	1.4
538.22382	4.3
539.22632	7.0
540.23315	1.9
543.26062	1.4
549.21375	6.3
552.24420	1.9
553.24652	12.0
554.25183	1.6
566.21710	4.1
567.22723	2.2
570.24823	8.6
571.25452	18.2
580.23242	24.4
581.23914	6.3
585.26978	7.0
595.25549	2.2
598.24219	44.5
599.24731	11.5
600.25806	1.4
613.26624	49.9
614.26990	3.3
623.24817	5.9
641.26111	68.3
642.26294	4.6
654.08252	1.3
655.41577	1.3
673.28735	100.0
673.41388	5.2
674.28577	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78304	0.5
55.05510	1.2
67.05492	1.7
69.07076	0.9
69.17117	4.4
69.17529	1.1
79.00623	0.6
79.05495	1.5
81.03436	0.7
81.07053	2.6
91.05482	2.6
93.07051	1.7
95.04983	2.1
95.08636	1.1
96.65963	0.6
98.20810	1.3
101.07092	0.5
105.07034	1.3
106.95484	0.5
107.05003	0.6
107.08604	0.8
117.07032	0.7
119.08625	0.8
131.08604	1.3
141.07047	0.6
145.39751	0.5
159.11690	1.0
165.02907	0.5
211.12411	0.6
223.12248	0.6
225.13773	0.5
235.12341	0.7
237.13957	0.7
261.13760	0.5
273.14868	0.9
301.14331	0.7
309.15863	0.5
318.15958	0.7
338.17273	0.6
353.17752	0.7
363.16489	0.7
367.19354	1.9
379.19348	1.3
381.17102	1.6
381.21231	1.0
391.19455	1.0
393.21387	0.9
395.18683	2.4
405.21228	0.7
406.17825	0.7
408.19592	0.7
409.20734	1.3
410.21082	1.7
417.16953	0.8
419.18439	1.0
421.20459	1.6
422.21054	1.6
423.17642	0.9
423.22495	1.2
425.23486	0.8
432.19781	0.9
435.22552	1.0
436.19104	0.7
437.19788	2.1
438.20593	3.2
439.21536	1.1
445.20355	2.2
446.21262	0.9
447.22223	0.9
449.19040	1.1
449.24185	1.1
451.21429	1.8
453.23065	8.0
454.23782	1.3
459.22174	1.3
460.22318	2.0
462.20828	1.1
463.21399	1.5
465.22845	1.7
468.18445	0.8
469.26367	2.7
474.24216	2.0
475.21536	2.0
476.22681	1.0
477.22894	1.9
478.20010	0.7
479.20526	1.2
479.30930	0.7
481.22217	0.8
482.23337	0.8
483.24026	1.4
487.21387	1.0
491.20590	1.2
493.22482	1.2
494.22919	0.8
495.24008	1.0
496.24716	0.7
497.25525	5.1
501.22678	1.9
502.23477	2.5
503.20956	1.7
505.18631	0.8
507.24615	2.7
508.25146	0.7
509.22464	0.6
512.27954	3.2
515.20966	0.8
521.22052	1.1
522.22290	2.9
523.24292	1.8
524.24237	3.1
525.25079	3.9
529.22681	1.2
530.23303	0.8
533.25940	2.6
535.24487	0.9
536.24304	1.6
537.22754	0.8
538.25677	1.7
539.26624	0.8
540.27313	8.2
545.25562	3.9
551.22058	3.4
552.24139	0.8
561.24847	2.5
562.26544	0.7
563.26447	1.8
564.24609	0.7
565.24780	0.9
567.25977	1.4
568.26923	1.3
579.25867	1.6
589.24548	6.8
595.27734	0.8
607.25665	1.7
611.24786	11.0
612.25397	0.9
621.27008	1.6
627.28314	3.6
635.40149	1.1
639.27557	14.8
653.29626	2.3
671.30768	100.0
672.31006	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	672.359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01866	0.6
55.05509	1.7
57.03417	0.6
57.07049	0.6
61.02916	0.6
62.06094	0.5
67.05509	2.5
69.03429	3.6
69.07059	1.6
69.71214	2.0
69.71611	0.8
70.06577	0.6
71.08238	0.5
71.08630	5.4
72.08153	1.6
73.02898	0.9
76.55153	0.3
79.03872	0.4
79.05505	2.0
81.03425	3.4
81.07057	5.9
83.04961	0.8
83.08611	0.7
84.08142	1.6
85.02920	3.9
85.06506	0.4
86.06068	8.9
87.00825	1.3
91.05481	3.3
93.07044	1.4
94.06554	0.6
95.08623	2.1
95.09098	0.3
96.08138	2.2
97.02882	2.3
97.06517	1.7
98.06039	0.8
98.09707	3.9
99.04473	1.1
99.08096	3.0
105.01894	0.5
105.07050	3.5
107.08591	0.9
108.08099	1.1
109.02893	2.8
109.06503	0.9
110.09650	0.6
111.30458	0.4
116.10736	24.8
119.08585	2.9
121.10157	1.5
122.09714	2.0
123.08085	0.5
123.11700	2.2
124.07583	0.6
126.09186	0.5
127.03921	5.1
129.07013	1.2
133.10101	0.4
134.09607	0.4
136.11247	0.7
140.10672	1.2
140.73592	0.3
143.10709	2.9
145.04968	0.8
145.10199	0.4
147.11703	7.7
154.15945	3.4
156.75000	0.4
157.10106	1.8
164.14377	0.8
165.12790	2.5
166.15959	2.1
168.17432	0.8
175.11186	1.5
177.05420	0.8
178.15929	1.5
193.12248	0.9
196.16975	7.7
213.03833	0.6
214.18030	100.0
215.18370	1.5
229.14366	9.7
231.05031	0.4
254.17426	0.7
255.15999	0.5
308.22144	1.2
326.23279	7.6
376.23373	1.1
406.29413	2.3
418.24472	2.6
424.30603	13.8
425.30460	0.4
441.17322	0.4
444.22269	0.5
462.23370	32.5
463.23508	1.0
530.29865	0.7
574.28497	3.5
618.53149	0.4
628.36456	0.9
651.26971	0.4
672.36127	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	672.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75061	0.6
55.05507	4.6
57.03444	3.3
57.07078	34.9
61.02928	12.8
67.05176	1.1
67.05506	11.5
69.03413	1.9
69.07072	7.9
70.69466	1.4
71.08635	25.2
73.02930	4.6
75.04484	2.1
79.05493	1.9
81.03417	1.6
81.07059	13.7
83.08623	11.3
85.02909	14.8
85.10185	15.4
89.06041	1.3
91.03956	12.7
91.05457	2.0
93.07047	1.9
95.04952	1.2
95.08610	20.3
96.08872	0.7
97.02896	7.1
97.10178	6.1
99.04461	0.8
99.11751	0.9
105.07037	1.3
107.08581	1.2
109.10159	11.7
111.11721	1.7
115.03903	1.0
119.08604	0.9
121.10167	0.6
123.11729	4.3
123.58299	0.7
125.13273	1.3
127.03926	5.7
137.13264	2.4
145.04962	7.8
151.14757	0.8
155.44214	0.7
163.06033	10.6
221.22701	0.8
232.25626	0.6
239.23714	21.7
247.82845	0.7
257.24789	3.7
261.91162	0.6
313.27374	100.0
314.27713	2.5
331.28430	34.6
636.39435	1.1
672.41675	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	671.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92302	0.4
57.44585	0.4
67.05499	1.3
71.52079	0.4
79.05495	0.7
81.03400	0.4
81.07063	1.0
84.04497	0.7
91.05490	0.9
93.07043	0.6
95.08607	1.0
102.15883	0.4
105.07066	0.6
107.08629	0.6
109.10146	0.7
145.10069	0.4
209.10782	0.8
223.12415	0.8
233.10713	0.5
237.13919	0.6
249.13795	0.6
273.14166	0.5
306.98050	0.4
318.15903	0.5
326.16672	0.5
353.17905	0.5
365.17773	0.6
367.19244	1.5
379.19559	0.9
381.17258	1.3
391.19507	0.7
392.20187	0.6
393.20825	1.1
394.21945	0.6
395.18777	1.7
403.18918	0.7
407.18488	0.6
409.20438	0.8
410.21048	1.3
421.20261	1.8
422.21024	0.8
423.17563	0.7
423.22250	1.2
425.23792	1.1
432.20071	0.6
433.20401	0.6
435.22113	0.8
436.23077	0.7
437.23563	1.7
438.20856	2.8
439.21310	1.0
441.88678	0.5
445.20157	1.1
446.21069	0.8
447.22534	1.0
449.23645	1.5
451.21347	0.9
453.22946	6.5
454.23557	0.9
459.21991	1.1
460.22818	1.2
461.23584	1.3
462.20615	1.2
463.21310	0.9
464.18668	1.0
465.22894	1.2
467.24954	0.6
469.26303	1.9
473.23645	0.8
474.23999	1.4
475.21561	0.7
476.22229	1.3
477.23434	2.4
479.21072	1.5
481.22156	0.6
483.24103	1.5
487.21088	0.7
493.22421	0.6
495.24005	1.1
497.25638	4.0
501.23346	1.1
502.23688	1.3
503.20468	1.9
505.19043	0.8
507.23795	1.8
509.25870	0.9
510.26276	0.8
511.27570	0.5
512.27936	2.9
520.24719	1.2
521.21936	1.4
522.25812	0.5
523.20148	1.7
523.27295	1.2
525.25018	3.5
529.22540	0.7
533.25488	1.6
534.26245	0.7
535.26703	1.3
536.24164	1.3
537.25354	1.0
538.26093	2.6
539.26263	0.6
540.27441	8.0
545.25751	0.6
551.26862	2.9
561.25299	2.0
563.26740	2.2
565.25037	0.6
571.25104	0.5
579.26337	2.0
589.24457	1.8
592.23358	0.6
593.27625	0.9
595.29651	0.5
607.25458	2.1
611.28741	3.3
627.37769	0.5
639.28137	10.3
653.28070	0.5
671.30792	100.0
672.31036	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	671.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09713	0.7
55.05503	0.9
63.31873	0.7
65.49950	0.6
67.05505	1.5
69.07076	1.0
69.48116	5.8
71.08623	0.8
77.18588	0.7
79.05506	1.1
81.07050	1.8
83.04956	0.8
91.05497	1.4
93.07056	1.8
95.04952	0.9
95.08616	1.8
99.04446	0.8
105.07018	1.0
107.08614	0.9
109.10152	1.0
112.81506	0.8
116.12704	0.8
120.08111	1.0
131.08556	0.8
133.10080	0.8
147.11739	0.9
172.53525	0.8
174.09183	0.9
208.20828	0.8
223.12407	1.1
235.08740	0.7
235.12210	0.9
237.13937	1.3
247.12338	0.8
255.77586	0.7
306.19992	0.8
338.16544	0.8
349.15054	0.9
351.15857	0.8
352.17923	1.4
354.19589	1.2
364.18042	1.3
365.17911	2.0
366.18802	1.9
367.19345	1.5
378.19138	1.2
379.19305	2.6
380.20407	1.5
381.17014	0.9
381.20987	6.9
382.21649	1.5
392.16620	1.2
393.17203	1.5
393.21567	1.1
395.18878	2.1
404.16995	0.9
407.18863	2.5
408.19827	1.5
409.20389	4.0
410.17618	0.8
411.17593	0.9
420.19614	1.2
421.20407	1.1
423.22446	3.8
425.19687	7.3
435.18060	1.0
437.18823	1.8
437.23801	2.6
438.20181	1.0
439.21167	4.9
447.22321	1.4
448.18781	1.1
449.19556	1.1
451.21515	0.9
453.23138	1.4
454.23740	1.2
455.24411	2.0
461.23547	0.9
463.25354	1.4
464.22769	1.3
465.18893	5.7
479.21069	1.3
480.21524	2.3
481.22318	2.4
482.20599	1.2
483.20447	2.4
485.21912	0.8
494.23495	1.2
497.22162	2.6
498.22870	2.8
499.23514	2.6
511.23541	1.1
513.25104	14.3
519.24426	4.1
520.21405	0.9
527.19836	1.1
541.20630	2.3
554.23083	1.1
555.22418	9.5
563.23151	2.1
569.24152	1.8
570.24774	1.6
585.27039	4.6
595.25592	10.4
611.25342	2.4
627.28259	3.9
628.25201	9.0
629.26062	68.4
630.26105	3.7
639.26904	1.5
653.26129	1.6
671.27167	100.0
672.27673	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	671.272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86125	1.2
55.05517	2.6
67.05514	5.5
69.03419	2.0
69.07089	4.0
71.50684	2.4
79.05506	4.9
81.03455	3.1
81.07081	7.2
83.08614	1.9
91.05486	4.1
93.07076	4.0
95.04993	4.7
95.08590	3.4
103.89935	1.4
105.07064	4.6
107.04925	1.4
107.08611	1.8
109.10179	2.9
119.08618	4.1
120.37983	1.3
121.10120	1.5
129.07056	2.3
133.10129	1.5
135.11780	2.2
143.08542	2.7
145.10213	1.5
147.08115	1.9
153.07034	1.4
155.08585	2.6
171.08061	1.6
193.11874	1.4
203.42397	1.3
227.10695	3.0
233.88063	1.5
235.12364	1.8
237.10381	2.7
237.14059	1.8
243.11435	2.8
247.12163	2.5
249.10474	1.9
249.80746	1.4
251.10794	1.4
261.13934	2.1
263.11731	2.9
265.13614	1.4
267.15396	1.7
277.13574	2.0
289.13446	2.7
303.14935	2.4
321.15997	2.0
332.14090	2.2
333.14902	2.5
367.19482	2.1
391.19510	2.1
391.28885	2.6
395.18881	1.9
410.21109	1.9
421.20215	2.9
435.18115	2.2
437.19275	7.3
438.20413	3.1
439.21326	1.8
449.19803	4.2
450.20746	3.3
451.21338	3.5
453.23029	9.0
460.22983	2.8
464.22546	2.1
465.23026	1.9
468.18262	3.1
474.24655	1.8
475.21542	5.0
479.20786	3.4
483.24863	1.9
491.20981	4.9
492.21545	1.5
493.21948	1.8
497.25589	6.2
502.24051	2.8
503.20840	1.9
507.24072	2.3
508.25165	2.3
509.21335	3.1
512.28162	2.4
522.22296	9.3
523.23132	5.5
524.24384	7.4
525.25043	4.7
529.21417	2.0
533.25940	2.1
536.23962	2.1
537.23492	1.5
538.26019	2.5
539.26062	2.3
540.27545	8.9
545.24963	2.9
551.22845	15.9
552.23962	3.8
567.26062	4.5
571.38342	2.2
579.26404	2.0
589.24139	8.8
595.25836	2.7
597.23492	2.7
599.37213	2.0
611.25037	39.8
612.26074	2.8
617.38519	5.3
621.26385	7.3
627.28235	14.4
635.39404	2.9
639.24695	34.9
653.29846	2.3
653.40863	2.7
671.30829	100.0
671.40399	3.5
672.30353	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	671.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03934	2.5
53.03952	5.6
53.20303	2.5
55.01881	3.1
55.05514	11.5
57.03424	3.0
58.86500	2.4
63.00889	2.3
66.40047	2.4
67.05224	2.8
67.05511	30.0
67.85706	2.4
69.07079	5.5
69.37736	14.7
69.38161	7.3
69.93488	2.5
75.91772	2.4
79.05491	18.4
81.03423	13.3
81.07076	18.7
83.08616	5.0
85.02878	2.5
91.05487	18.2
93.07052	20.5
95.04981	18.4
95.08633	14.0
97.10156	5.7
105.07047	12.8
107.04993	5.6
107.08605	4.7
107.15636	2.4
109.10164	9.0
111.04460	2.8
115.05521	3.9
117.07055	8.0
119.04932	4.8
119.08585	11.1
121.02885	4.2
121.06512	6.5
121.10136	5.9
123.04384	3.3
124.99931	3.1
128.06194	3.1
129.07018	5.6
131.08574	8.3
133.06569	3.5
133.10141	8.3
137.09520	3.0
143.08551	8.7
145.06526	5.8
145.10146	5.3
147.04446	5.5
147.11612	2.6
149.85928	3.2
157.10175	3.4
161.05965	4.4
161.09679	3.3
166.18562	2.6
169.10155	3.4
223.12372	5.1
225.13948	4.0
227.12698	2.6
235.12369	7.6
236.12996	4.2
237.13966	6.4
238.14604	6.6
249.10097	2.6
249.13890	6.2
251.15526	4.7
263.11707	3.9
264.12662	7.5
273.14941	11.5
277.13339	5.3
279.14578	2.8
301.14365	7.5
303.15781	4.0
335.25803	8.1
365.19058	3.4
366.19681	3.5
375.17633	4.3
376.18314	4.7
378.20148	3.5
390.19958	3.9
392.17505	4.7
393.18329	5.4
394.19330	3.0
404.17371	4.0
405.17886	3.3
406.19315	3.5
418.19275	4.9
434.19006	6.1
436.20346	7.4
447.19168	3.0
450.18188	3.1
457.04340	2.8
461.17279	3.6
470.18417	4.0
472.16193	4.4
479.21124	3.6
481.20273	3.5
482.20297	3.6
488.20035	4.5
489.18710	4.9
502.19153	2.8
504.18521	3.9
508.18774	3.1
510.20837	3.5
523.21313	3.8
534.20184	4.8
535.20056	3.3
544.18945	3.8
545.21643	5.1
546.20044	10.5
547.19977	5.8
550.23029	3.9
551.20697	3.9
561.20685	2.8
566.22144	4.2
572.18091	9.7
577.24506	11.2
578.22906	21.0
579.22021	3.4
580.20575	3.1
589.20782	12.4
590.19366	19.8
593.23285	4.4
594.23077	3.3
603.21912	12.0
604.20825	6.6
607.21960	15.7
609.27399	3.4
610.25793	5.7
611.24420	3.5
621.23431	75.8
622.21869	100.0
623.38794	3.5
626.24585	6.4
635.39111	9.9
639.24609	52.4
653.25830	30.7
653.40198	7.2
654.24554	47.1
671.27490	25.7
671.39795	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	671.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84874	0.7
61.23662	0.7
68.73576	0.6
69.07059	0.7
69.36422	5.6
84.91285	0.6
89.83278	0.6
94.86899	0.7
132.08072	0.9
138.12251	0.7
210.11662	0.8
221.10770	1.0
222.11545	0.9
223.12401	2.1
225.13980	0.8
235.12364	0.9
237.13922	1.7
238.14734	1.2
241.10168	0.7
249.13962	1.1
251.15399	0.9
261.13834	1.4
263.15472	0.9
274.13580	1.0
352.17365	0.9
353.17941	0.7
364.17581	1.1
365.18024	1.5
366.18814	1.3
377.17920	0.8
378.19601	0.9
379.19394	2.0
381.20865	1.6
389.17642	1.0
393.21176	1.6
394.21698	1.6
395.22263	2.2
407.18732	1.4
421.20566	1.4
422.21335	1.2
423.21829	2.3
425.19958	1.6
426.20520	0.8
435.22473	1.1
436.23083	1.7
437.23355	2.8
439.21313	1.7
447.22089	1.3
448.19974	1.0
449.19598	0.9
450.21198	0.9
453.23337	3.6
454.23654	2.3
465.23672	1.3
467.20847	1.6
475.21414	1.2
477.19034	1.0
480.21252	0.9
481.22617	1.6
482.23087	9.0
492.21307	1.2
493.22476	1.2
509.22037	4.2
519.20477	1.5
523.23718	1.4
534.22980	1.4
537.21216	1.8
541.24207	2.4
551.23334	2.2
557.40497	0.8
569.23938	18.1
579.22565	2.6
595.25305	1.5
597.23535	11.8
612.25854	2.5
621.23322	3.4
639.24475	2.3
653.25952	2.0
671.27130	100.0
672.27570	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	669.2923
Annotation	Swietephragmin D
Peak:m/z	Relative Intensity
50.20253	1.2
57.07069	3.9
58.79486	1.1
67.05511	2.3
70.08970	1.1
72.08133	1.4
79.05495	1.6
81.07070	2.3
83.04972	2.5
89.06091	1.7
93.07029	1.5
98.42516	1.3
99.02666	7.9
105.07054	1.6
107.08584	1.4
109.06558	1.3
109.95214	1.1
121.29320	1.2
147.11737	3.1
175.01550	1.6
192.98370	1.2
225.13876	1.7
237.13959	2.1
256.21350	1.2
265.13489	1.8
329.09802	2.6
353.00406	1.2
358.42776	1.4
363.16489	1.8
366.19153	1.2
377.18085	1.6
393.20853	2.7
405.21396	1.9
406.17889	1.7
407.22675	2.4
418.18243	1.4
419.14450	2.4
419.19156	1.9
420.15244	2.1
420.20099	2.1
421.20261	6.5
431.22620	1.6
433.20822	2.3
434.17188	2.1
435.22113	9.0
436.22562	5.0
447.22369	2.5
448.18506	2.3
449.19818	9.1
450.24240	1.9
461.20044	5.2
463.20920	15.6
467.20358	2.0
475.21506	4.3
476.22195	4.0
479.25012	2.0
489.19220	2.7
491.25150	2.0
493.18277	9.3
495.23456	6.0
503.20737	4.0
504.21802	1.4
507.23947	4.2
507.52798	1.3
509.25705	2.1
519.24384	1.5
522.26202	3.9
523.27161	28.8
532.25085	3.2
535.23419	5.6
549.25189	2.5
550.25562	5.2
563.22955	10.2
564.27356	2.4
567.26001	2.8
577.24536	5.2
578.25043	1.5
580.23157	2.5
581.26770	2.4
582.19238	1.9
582.28412	36.8
583.28558	2.4
591.25800	2.3
595.25598	28.3
597.22107	4.0
609.27051	24.4
622.27588	6.2
637.26733	8.1
641.29889	3.4
651.28204	3.8
653.28162	7.9
668.45825	1.6
669.29242	100.0
670.29681	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	669.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33387	1.4
58.68806	1.3
60.23955	1.8
66.89780	1.5
67.05504	3.7
69.47729	3.3
69.48127	10.3
70.84362	1.4
79.05502	2.2
91.82893	1.5
95.08646	1.9
98.20771	3.7
105.07047	3.0
109.10172	3.0
121.10123	1.9
133.10065	2.2
154.91415	1.7
183.63062	1.9
209.10709	2.5
214.51564	1.6
222.11598	2.0
223.12279	2.4
231.31030	1.6
235.12331	2.2
275.08118	1.8
277.09628	2.2
289.88159	1.6
340.14407	1.6
341.28741	2.0
348.41168	1.7
353.87192	1.6
401.18243	2.2
416.15356	1.9
416.20673	1.9
426.14816	1.9
441.17139	2.7
443.18481	3.0
457.20129	5.7
459.18649	2.4
469.16348	4.5
470.17154	3.0
471.21567	3.4
472.22803	3.0
475.21036	2.3
485.19672	2.6
491.20660	2.4
499.21292	15.5
500.21945	3.3
503.20538	5.4
513.18970	4.0
517.22412	13.5
518.23010	3.1
527.20923	22.4
528.21710	4.1
543.23834	14.5
545.21906	4.9
546.22455	2.0
549.24915	1.9
555.20264	3.5
559.23212	5.1
577.24823	2.1
587.22906	100.0
588.23279	3.0
605.23688	3.1
619.25543	81.9
620.25586	4.1
637.26617	23.2
669.26184	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	671.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79680	1.2
69.07056	2.3
71.51624	1.4
79.05470	1.6
81.07054	1.5
91.05512	2.0
93.07034	1.6
95.08598	1.9
105.07009	1.3
106.60957	1.2
107.08617	2.0
195.09050	1.3
195.91734	1.2
335.25922	1.3
398.15482	2.0
399.16086	2.5
411.15869	1.5
412.17218	3.1
413.17532	5.5
414.18369	1.9
426.18546	1.4
427.19003	4.4
433.11987	2.0
435.13440	2.2
441.21283	1.5
449.15427	2.4
453.16443	1.5
455.17831	1.2
462.15506	1.7
463.16769	4.6
469.20554	2.0
478.15399	4.3
479.16107	1.7
483.17990	1.6
485.19186	2.4
491.16376	3.4
497.19864	2.1
498.20203	1.4
505.17966	3.4
506.18661	2.1
507.15964	4.0
519.15778	4.5
520.16266	3.7
529.22296	2.0
533.17065	4.5
550.17804	1.6
561.16461	2.6
565.19855	5.7
577.19830	1.8
578.17303	1.6
593.19513	53.0
594.19366	1.9
608.67352	1.2
621.18994	16.0
635.24591	2.0
653.21582	100.0
654.21820	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	671.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64122	1.3
54.12940	1.3
55.05510	1.9
57.07076	1.6
67.05502	6.9
69.07066	1.9
69.84963	7.6
77.63136	1.5
79.05513	3.3
81.03421	2.1
81.07056	4.1
91.05469	3.6
92.82832	1.4
93.07053	3.6
95.01798	1.6
95.04984	2.4
95.08624	3.8
97.46758	1.5
98.21473	1.9
99.02647	1.6
102.02566	1.5
103.71355	1.4
105.07040	3.2
105.23746	1.6
109.10153	2.0
119.08579	2.2
127.03750	1.5
131.08530	1.6
133.10220	2.1
134.98582	1.6
195.09348	1.7
350.23172	1.7
361.16360	1.8
385.15588	3.8
386.16125	1.8
389.17557	2.7
390.18195	1.8
391.19016	5.4
397.14713	2.7
398.15546	2.9
399.16141	2.9
400.17007	2.2
401.17807	3.0
405.20905	6.9
406.21460	3.3
411.16269	3.5
412.16846	4.6
413.17694	10.2
414.18484	4.3
415.18900	2.5
417.16681	2.2
425.17834	2.5
426.18387	6.1
427.19528	15.0
428.20294	8.3
433.20132	2.7
439.15143	2.2
441.21689	7.6
442.21481	6.2
443.18408	3.1
444.19351	2.6
445.15915	3.0
454.17816	2.9
455.18500	6.4
456.19269	4.3
457.20541	2.1
459.17978	1.9
461.19833	2.5
467.14917	1.7
469.20840	7.9
470.20987	6.6
471.17810	8.9
472.18509	2.7
473.19733	8.6
482.16980	3.7
483.18375	2.0
484.18863	6.8
485.19864	2.7
487.21228	4.2
497.20013	14.7
498.21219	10.2
501.18768	2.4
505.17450	3.0
511.18158	2.2
515.20953	4.0
525.19336	5.3
526.19922	1.9
529.22449	9.9
541.21857	4.0
549.24982	1.8
557.21875	100.0
558.22131	5.6
565.19904	7.8
585.21368	25.6
593.10828	2.0
593.19598	30.3
617.24036	50.4
618.23834	2.7
621.19098	7.2
625.21771	3.5
635.25085	9.7
653.21649	81.2
654.21515	3.0
670.47290	5.2
671.22113	10.9
671.47583	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	667.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28852	1.3
55.05494	2.0
67.05493	3.7
69.03401	1.3
71.51898	1.7
79.05486	3.3
81.03415	1.9
81.07063	2.5
91.05466	2.8
93.07037	2.2
95.04993	1.9
95.08620	2.4
105.07028	3.2
107.08616	1.2
109.10151	2.6
110.62313	1.3
119.08575	1.9
121.06414	1.3
131.08601	2.3
135.11708	1.5
145.10123	2.0
178.05014	2.3
221.10802	2.1
237.10371	1.9
249.10182	1.4
271.73288	1.3
312.11307	1.4
313.12186	2.7
314.68018	1.4
326.12875	3.0
327.13818	2.3
328.14371	2.0
354.12396	1.6
356.14005	1.8
368.13940	2.5
372.13513	4.0
373.14371	2.1
386.15018	1.6
388.16861	1.8
389.18112	1.3
396.13144	1.7
399.16153	1.4
400.17007	1.6
401.17746	2.6
403.19547	1.7
414.14233	3.2
414.18893	2.3
415.14938	2.9
416.15515	1.7
427.19504	1.9
428.15665	2.7
428.20657	2.0
429.16519	1.6
429.21564	1.7
430.17932	1.5
457.16150	2.6
458.17560	1.5
459.22180	2.7
460.18832	1.9
474.20193	1.5
487.21689	9.2
498.20474	2.4
500.18164	2.4
501.19125	5.4
515.20880	14.0
516.21381	2.6
519.23779	1.6
529.18457	4.1
531.24585	7.2
543.20245	5.2
547.23810	7.7
557.22083	1.7
561.21027	7.9
575.14337	2.7
575.22980	52.2
576.23645	2.4
579.26135	7.5
603.22437	40.0
607.25452	3.0
617.23376	1.6
621.23254	4.0
635.25043	100.0
636.25079	4.1
667.26843	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	665.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01867	0.7
57.03427	1.0
61.02917	1.7
65.03933	0.6
69.03141	0.5
69.03438	6.1
69.54343	3.1
70.06589	0.5
73.02926	1.0
79.05483	1.3
81.03403	1.8
81.07054	0.9
85.02438	1.0
85.02911	13.7
87.04488	0.8
91.03933	0.6
91.05478	4.2
94.04180	3.2
97.02894	4.6
99.04440	0.9
103.05491	3.6
104.06264	0.9
105.07043	4.0
105.53603	0.5
107.04955	1.7
109.02876	1.6
109.06533	2.5
110.12083	0.5
115.05471	3.4
117.07021	1.8
119.04933	1.1
119.08587	2.8
121.06537	1.2
122.03656	6.8
125.64506	0.5
127.03934	2.4
128.06229	1.6
129.07001	2.4
131.04927	7.4
131.08565	0.6
132.05753	3.3
133.06493	3.2
137.05984	100.0
138.06300	0.9
139.97307	0.5
141.06964	1.5
145.04982	1.4
145.06503	1.6
146.03650	1.4
147.04434	2.6
147.08069	4.4
148.04762	0.8
149.05978	0.8
151.07515	0.7
155.04962	0.7
155.06105	0.6
156.05676	0.6
159.08066	1.6
160.05238	2.7
161.05983	14.5
163.07539	11.5
163.08807	0.8
165.90337	0.5
169.06529	0.9
171.08037	1.2
172.05185	0.8
175.07556	51.8
179.07042	2.2
180.07315	0.7
184.05267	1.0
187.07550	7.1
189.09131	1.3
190.07835	1.7
191.08577	5.0
199.07553	9.4
201.09166	1.1
202.07767	2.7
203.08575	6.5
205.06705	0.5
207.08067	0.7
215.08757	0.7
217.08466	0.8
218.07292	1.4
219.08066	8.5
220.08844	2.5
230.07283	1.1
231.08047	8.2
232.08830	2.0
233.09688	1.0
235.07687	0.9
236.08382	1.6
247.07527	3.1
248.08363	3.8
249.09064	1.1
251.10712	10.9
259.07608	5.2
260.08377	1.8
261.09039	0.8
263.10675	4.2
264.07782	0.8
265.08624	1.7
275.07043	0.8
275.10648	0.5
276.07852	2.4
277.08673	1.8
279.10175	7.4
280.10919	1.3
281.08301	0.6
289.08505	0.6
291.10144	13.9
292.10965	3.1
293.08206	2.0
293.62518	0.5
295.10107	0.6
295.13330	0.9
296.10516	1.6
306.66431	0.6
308.10471	1.8
311.12790	25.5
323.12799	28.4
324.13126	0.6
325.14304	4.2
327.52600	0.5
341.13870	1.5
665.27069	0.7
673.48047	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.0
56.05891	0.8
58.59187	0.8
67.05531	1.0
69.07075	0.9
69.40329	0.8
69.97366	3.9
72.08153	1.4
95.08601	1.2
116.20027	0.9
128.60919	0.8
132.08083	0.9
150.82576	1.0
261.10251	1.3
296.11707	1.0
312.14996	1.3
325.12109	1.0
326.12894	1.7
336.14951	1.1
338.12924	1.9
339.13980	0.9
340.14444	1.5
352.14493	1.4
366.12549	1.5
368.14069	2.0
374.16119	1.4
375.16245	2.6
376.17050	2.8
377.17755	2.6
380.14050	1.3
381.11029	1.0
385.14404	2.0
386.14868	0.9
387.16385	1.2
388.17548	1.6
389.17734	4.3
390.18665	4.0
391.19235	9.7
396.13464	1.6
398.15292	1.8
400.16861	1.0
401.17920	1.4
403.19357	2.9
404.19998	3.5
405.20892	10.5
406.21530	3.9
408.13409	0.9
412.17007	1.1
413.18051	1.4
415.19424	1.6
417.16589	1.8
417.20993	2.8
419.22888	6.3
420.23019	1.1
421.16867	1.5
428.16391	3.7
429.17075	2.3
431.18427	2.0
433.19977	6.0
435.17935	3.9
436.18829	1.4
440.16437	1.6
443.14951	1.5
444.15619	1.6
445.20453	2.7
446.20847	1.3
447.22110	4.1
448.18906	1.6
449.19696	5.7
450.20627	1.8
457.16330	1.3
459.22540	1.3
461.18912	5.6
462.24445	1.2
463.21719	7.3
464.21915	1.7
465.22989	8.5
473.19772	3.3
474.21152	1.3
477.23746	1.8
478.24292	1.4
479.20502	5.6
487.21902	4.6
488.17932	2.3
489.18823	4.0
491.20554	1.4
492.21298	1.7
493.22137	33.3
494.22955	1.9
500.18390	1.4
501.19250	7.4
505.19211	3.8
506.23373	1.9
507.24088	1.7
515.21014	9.4
516.21637	4.8
519.23798	3.4
520.20270	1.1
521.25787	12.0
523.23529	1.4
529.22418	1.1
533.21814	4.9
537.25220	5.5
547.23438	6.0
548.23877	1.3
549.21619	1.0
551.27045	13.0
552.27301	2.6
557.21259	1.4
561.21509	1.3
565.24493	29.1
566.24701	1.0
575.22833	10.9
576.23828	1.9
579.26166	18.0
580.26855	100.0
581.27405	4.0
589.24762	3.4
592.23059	1.4
603.23029	1.0
607.25568	52.1
608.26013	2.6
617.23840	2.0
635.25116	33.7
636.25629	1.2
639.28235	5.9
649.26648	16.8
667.27704	85.2
668.27722	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	664.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10896	4.4
55.05513	29.7
57.03424	7.0
57.07063	21.7
59.20734	5.5
65.03931	6.3
67.05502	92.7
69.07069	38.1
69.13587	4.4
71.08608	5.7
78.76016	4.2
78.82011	4.8
79.05489	48.8
81.07060	100.0
83.04970	9.6
83.08611	23.5
91.05483	54.0
93.07046	72.7
95.04960	10.0
95.08607	70.9
97.06567	6.3
97.10152	9.7
105.07030	40.8
107.04906	5.3
107.08595	40.3
109.06538	7.2
109.10146	32.3
111.08100	6.0
113.14016	4.9
117.07026	16.6
119.08588	31.9
121.10150	24.0
123.08050	6.3
123.11686	9.3
129.07028	9.2
131.08580	17.2
133.10086	23.0
135.11731	12.5
142.07736	5.2
143.08565	8.0
145.10100	16.3
147.11719	13.3
149.09581	5.8
149.13231	6.9
155.08524	5.6
159.11678	13.0
161.13242	5.9
163.11266	6.0
173.04375	4.5
185.13245	7.4
215.70384	4.5
255.15909	5.5
257.18896	5.9
269.17300	6.0
275.20050	28.6
291.19684	5.2
327.07928	12.9
328.08127	5.8
337.27356	65.9
349.23636	11.1
383.52164	5.5
384.14471	7.0
439.20654	6.1
496.26642	11.9
517.38660	21.0
531.40265	45.3
552.33130	21.7
571.43451	22.4
608.39313	18.7
611.47174	23.2
661.15845	6.3
664.45587	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	667.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.6
61.45866	1.3
67.05501	2.6
69.27072	3.0
69.27458	13.2
77.85381	1.4
79.05486	2.3
81.07066	2.4
91.05482	1.8
93.07028	2.4
95.04946	1.8
96.92874	1.4
107.08578	2.0
109.10167	2.0
118.06494	2.3
119.08598	1.9
124.99961	1.9
144.08112	6.5
223.12335	1.6
225.10289	1.6
230.15343	3.5
231.15764	2.2
256.17023	9.7
257.17276	5.4
274.18054	13.1
274.31366	1.6
275.18387	10.3
309.44806	1.4
354.14728	2.6
363.15854	1.9
375.16068	2.2
377.17828	9.0
378.17999	2.5
390.18756	3.0
391.15439	1.5
391.19351	12.3
392.20007	8.0
404.16064	2.9
405.20874	5.2
406.21655	1.8
407.22305	9.1
419.18298	7.2
420.19324	2.5
431.18716	4.1
433.20239	5.2
434.21054	4.2
435.22153	9.5
437.19305	1.8
445.20578	1.9
447.17758	3.0
449.19443	1.7
451.21301	8.9
459.18033	6.3
461.18948	2.8
465.22983	5.1
466.24332	1.8
473.20068	3.5
474.20758	3.4
477.18915	2.5
479.20816	34.0
489.18454	4.0
489.23306	2.7
493.22498	9.1
494.23169	22.2
501.19226	2.9
502.19971	2.9
505.18301	7.7
506.19446	2.4
515.20441	5.5
516.21527	4.0
517.22406	82.1
518.22650	2.9
521.25861	2.7
547.23608	3.6
549.25226	68.8
550.24994	3.1
565.23950	5.4
569.43848	2.7
575.23334	10.6
580.27301	2.1
581.24066	11.0
593.24023	15.7
603.22302	2.1
607.25952	13.8
608.26294	12.2
617.23877	3.9
635.25092	100.0
636.25165	6.1
649.26282	2.6
666.41132	4.5
667.27277	55.8
667.41223	21.6
668.28210	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	663.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	0.6
57.07079	46.9
57.07342	2.0
57.07479	1.5
65.03915	0.6
66.09122	0.5
67.05470	0.6
67.16447	0.6
69.30361	4.4
77.03970	0.8
79.05466	0.8
87.04449	0.7
91.04982	0.8
91.05482	7.0
105.07014	2.8
117.07007	0.6
119.08550	1.4
145.21780	0.5
147.11679	5.9
152.06236	1.2
153.07002	4.1
161.13347	0.6
175.01657	0.7
228.09299	0.9
229.10147	1.5
229.69366	0.5
233.03609	6.5
247.84636	0.5
251.04694	16.0
307.11050	2.2
327.07813	100.0
328.08090	0.8
383.14078	69.2
384.14401	1.3
439.20364	60.0
440.20752	2.3
495.26624	65.1
496.26929	2.2
551.32874	84.6
552.33636	2.9
607.39117	52.9
608.39435	1.7
663.45367	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	664.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	7.6
57.03444	13.4
57.07084	23.8
59.04992	2.7
61.02930	4.9
65.03942	0.9
65.88963	0.6
67.05510	68.9
69.03416	1.0
69.07075	6.3
70.90205	0.6
71.04980	2.6
71.08636	16.0
73.02891	1.2
74.16031	0.6
79.05488	1.8
81.06596	1.0
81.07062	17.5
83.08624	11.1
85.02912	3.9
85.06534	2.5
85.09737	0.8
85.10193	11.2
87.04470	1.1
89.06022	1.0
91.03955	2.0
91.05481	4.3
93.07040	3.9
95.04974	0.7
95.08618	15.3
95.14555	0.7
97.02916	3.0
97.10184	4.0
99.08121	0.7
107.08585	1.9
109.10165	66.8
111.08082	2.7
119.08591	4.9
121.10153	0.7
123.11711	2.6
137.09602	1.6
137.13306	1.1
139.29984	0.6
155.10677	4.8
173.11754	17.5
174.12123	0.6
184.07359	0.8
229.14369	100.0
230.14714	1.4
239.23749	1.6
246.89359	0.6
257.24850	2.0
313.27390	83.3
314.27887	1.1
317.71579	0.6
437.15042	0.6
437.66251	0.7
467.37369	66.1
468.37561	1.7
505.38577	0.9
552.33350	0.7
573.47974	0.7
633.22693	1.3
646.97577	0.6
665.43341	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66903	0.4
55.05505	0.6
55.53745	0.5
56.05898	0.4
57.07080	46.0
57.07339	1.9
57.07474	1.5
59.06460	0.4
59.97427	0.4
61.60225	0.4
63.74373	0.5
67.05465	0.6
69.23122	0.7
69.23524	3.6
72.13322	0.4
72.54054	0.4
75.67683	0.4
77.03592	0.7
77.04014	1.2
79.05460	0.9
81.07017	1.3
87.04436	2.0
91.05492	6.9
93.06989	0.5
95.04931	0.9
95.08565	1.0
105.07030	2.4
106.52808	0.4
107.08549	1.0
117.07024	0.9
119.08554	1.9
123.08051	0.5
123.11674	0.5
131.08533	0.6
133.10080	0.5
147.10651	0.6
147.11696	6.3
151.63560	0.5
152.06184	1.0
153.06976	3.7
171.08040	1.0
228.09244	1.0
229.10136	1.2
233.03630	5.6
251.04675	16.2
278.60736	0.5
307.11014	2.2
327.07819	100.0
328.08078	1.9
351.16696	0.5
359.62354	0.5
363.17081	0.7
383.14081	74.3
384.14511	1.4
401.41486	0.5
439.20352	64.1
440.20892	1.7
495.26624	65.6
496.26947	1.9
507.09009	0.5
522.10272	0.5
551.32861	81.2
552.33356	3.2
607.39099	49.5
608.39380	1.9
630.86664	0.5
663.45306	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	662.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.9
55.01866	4.3
55.05515	30.1
57.03442	13.9
57.07074	5.8
65.03934	6.1
67.05508	100.0
69.03427	4.1
69.07064	25.6
70.81245	3.1
70.81570	2.0
71.04984	5.1
71.08622	1.8
77.03905	1.7
78.93954	1.6
79.05498	77.5
81.03416	5.0
81.07062	93.8
82.07388	1.8
83.04983	10.2
83.08618	14.5
85.06533	5.1
87.04477	16.9
91.05482	66.1
93.07047	82.4
95.04972	12.2
95.08610	59.0
97.06548	6.8
97.10162	5.4
99.08072	4.1
105.04533	2.6
105.07035	49.0
107.04946	4.8
107.08596	43.7
109.06503	6.4
109.10168	25.2
111.08069	5.2
115.05413	3.0
117.07034	20.4
119.08586	36.9
121.06498	4.4
121.10149	28.4
123.08057	5.3
123.11693	5.0
125.09587	2.2
129.06985	7.0
130.07794	3.5
131.08580	31.5
133.10135	26.9
135.08063	3.8
135.11699	22.1
137.09587	3.0
141.06937	2.7
143.08588	6.6
145.10141	20.5
147.11693	16.5
149.09598	6.7
149.13298	12.5
151.11195	2.0
157.10153	8.4
159.11694	17.8
161.13228	7.8
163.11241	4.1
163.14861	3.6
169.10092	2.4
171.11673	4.3
173.11916	2.1
173.13284	7.0
175.11296	2.3
175.14867	2.8
177.12753	3.3
180.64603	1.7
183.11702	4.8
185.13258	5.6
187.14961	3.3
195.13803	3.4
197.13234	3.4
199.14760	2.7
203.14319	4.3
217.15892	3.6
219.17429	2.3
229.14314	3.3
233.42554	1.7
239.17802	3.4
243.21022	2.1
247.20428	2.5
255.15883	3.9
257.18994	9.0
259.20404	3.9
261.22192	9.1
261.49008	1.6
269.17523	5.9
275.20065	24.8
277.21634	3.9
278.48730	1.6
309.20587	1.9
317.24719	1.8
335.22067	3.4
335.25824	47.6
349.23755	12.6
351.25293	4.3
459.21545	2.3
467.37308	3.2
489.35596	4.6
515.37518	11.0
529.31665	2.8
529.38934	41.7
569.42035	16.1
598.05212	1.9
606.27795	2.9
609.45251	11.4
627.46039	2.6
662.44897	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	662.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.7
55.01879	6.8
55.05514	43.0
57.03445	20.3
57.07071	8.7
64.20293	3.1
65.03937	4.5
67.05508	100.0
69.03441	3.9
69.07074	44.0
70.68618	7.3
70.68957	3.1
71.05000	6.4
79.05497	86.9
81.03442	4.0
81.07059	93.3
83.04972	7.9
83.08618	23.5
85.06537	5.7
85.10184	3.6
87.04478	35.2
91.05488	64.8
92.05840	2.7
93.07051	83.7
95.04987	10.6
95.07992	3.4
95.08611	66.2
97.06525	9.5
97.10173	24.3
99.08092	4.9
103.05479	3.8
105.07037	45.2
106.52510	3.0
107.04958	7.3
107.08604	58.8
109.06509	5.2
109.10167	37.6
111.08129	5.6
117.07017	18.6
119.08600	37.3
121.06538	7.1
121.10168	31.2
123.08070	6.1
123.11748	9.4
125.09631	13.4
129.07005	6.9
131.08589	25.9
133.10117	22.1
135.08066	7.2
135.11694	18.2
143.08519	6.7
145.10135	25.1
147.11702	23.5
149.09621	10.1
149.13281	8.0
155.08501	5.0
157.10104	5.0
159.11687	15.9
161.13286	7.8
163.11281	3.6
163.14836	4.1
169.10220	3.6
171.11685	5.3
173.11880	4.2
173.13330	8.6
174.66605	3.2
175.14769	5.6
177.12680	3.4
179.14363	5.5
183.11755	5.2
185.13150	4.0
187.14868	4.9
189.11255	10.2
197.13440	3.9
201.16440	3.4
211.14815	3.1
219.17599	2.7
227.12781	42.0
229.14441	8.1
239.18001	4.5
257.19046	9.1
259.20535	3.9
261.22183	12.9
267.15894	7.1
275.20071	49.1
277.21625	7.3
335.22055	4.7
335.25854	54.2
349.23779	31.5
417.32831	3.5
431.31354	5.2
467.37302	8.0
489.35556	15.4
501.25659	3.4
505.35214	5.9
515.37329	3.7
517.39496	3.0
521.38159	4.3
529.39227	3.5
546.41321	5.5
609.45197	40.1
618.92432	3.2
627.45996	10.4
642.18109	3.2
662.46442	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	662.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01863	0.6
55.05499	0.8
56.05025	0.4
58.99585	0.3
61.02910	0.4
61.99809	0.3
62.06084	0.5
67.05489	1.5
69.03432	3.5
69.07062	0.9
69.69878	1.8
70.06583	0.7
71.05002	0.6
71.08633	4.9
72.08137	1.0
73.02929	0.7
78.47343	0.3
79.05476	0.8
81.03420	3.0
81.07065	1.8
82.05196	0.3
83.04977	0.5
83.08642	0.3
84.04464	0.4
84.08130	1.4
85.02907	4.0
86.06069	6.3
87.00830	1.4
91.05483	2.5
93.07039	1.4
93.41311	0.3
94.06548	0.4
94.67661	0.3
95.08156	0.3
95.08619	3.8
96.08141	2.4
97.02886	2.4
97.06516	0.6
98.06061	0.5
98.09696	3.1
98.21480	0.7
99.04453	1.3
99.08093	2.9
105.07009	0.6
107.08561	0.6
108.08109	1.9
109.02888	2.7
109.10139	1.3
110.09673	0.6
112.07600	0.3
114.09167	0.4
116.10738	21.6
117.06889	0.3
119.08583	3.9
121.08887	0.4
121.10188	0.3
122.09673	1.4
123.08062	0.6
124.07614	0.3
125.58008	0.4
126.09095	0.8
127.03925	4.9
136.11205	0.6
137.09627	3.4
138.09180	0.4
140.10692	1.0
142.43938	0.4
143.10696	2.0
145.04984	0.7
147.08057	0.8
154.15889	2.5
159.02919	0.5
165.09084	1.1
166.15965	2.1
168.17416	0.6
171.11678	0.3
178.15895	1.4
183.10194	1.2
196.16989	7.8
199.42317	0.3
201.11235	2.4
214.18030	100.0
215.18335	1.1
231.05095	0.4
245.13852	0.6
254.21156	0.6
256.18912	0.5
280.19092	0.7
298.20099	0.8
316.21222	6.4
345.16382	0.4
376.23251	1.1
396.27402	1.5
414.12970	0.7
414.28552	9.8
418.24405	2.2
422.96109	0.4
444.22125	0.4
462.23355	31.5
520.27484	0.4
564.26459	3.6
618.35004	0.7
655.44141	0.4
662.33636	5.6
663.34039	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.7
55.01868	5.7
55.05273	3.3
55.05517	47.6
57.03443	11.2
57.07077	7.2
59.65973	1.9
65.03932	3.5
67.05508	74.6
69.03428	5.7
69.07076	26.0
71.04979	3.2
77.57680	2.0
79.05498	79.6
81.06593	4.6
81.07064	82.3
83.04995	5.1
83.08626	23.8
85.06555	4.9
87.04467	31.9
91.05486	50.9
93.06481	4.5
93.07049	65.2
95.04965	7.4
95.08611	49.2
96.00344	1.9
97.06516	5.4
97.10175	39.8
99.08083	2.5
105.04491	3.0
105.06316	2.6
105.07034	47.9
107.04950	5.4
107.08593	65.5
109.06536	5.7
109.10172	27.7
111.08087	4.0
117.07041	16.8
119.08588	35.3
121.06526	4.7
121.10152	25.5
123.08067	4.6
123.11711	8.3
125.09633	39.7
127.55070	2.0
129.07030	6.2
131.08588	20.2
133.10141	24.6
135.08072	7.4
135.11722	18.6
143.08566	5.5
145.10136	22.0
147.08052	3.3
147.11699	23.5
147.77664	2.0
149.09624	7.1
149.13242	9.5
153.09134	2.9
157.10136	9.0
157.11363	2.0
159.11700	15.6
161.13286	8.4
163.11169	4.6
163.14847	3.2
169.10155	3.2
171.10269	4.8
171.11638	5.0
173.13300	8.7
175.14876	3.6
183.11609	3.2
185.13268	8.5
187.14847	3.4
189.11224	23.7
197.13338	2.4
201.16331	3.5
203.14326	2.2
213.16364	2.4
219.17459	6.6
227.12796	100.0
229.19624	2.4
239.17953	3.2
243.21017	4.4
257.19067	14.0
261.22168	12.2
262.07343	2.2
267.15863	9.0
275.20108	50.0
276.20590	2.6
277.21683	3.4
333.24533	2.5
335.25858	42.5
349.23669	29.4
467.37500	2.6
505.35254	8.3
546.25525	2.3
609.45197	56.7
627.45996	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	661.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55536	0.7
55.05521	0.8
57.03442	0.9
58.17457	0.9
67.05508	1.5
70.06613	1.0
71.05050	0.7
71.30668	1.5
79.05505	1.3
79.06465	0.7
81.03407	1.0
81.07073	1.5
82.74899	0.8
83.04985	1.4
91.05496	1.4
93.07045	1.3
97.02934	1.0
97.06523	1.7
105.07056	1.9
107.08619	1.9
109.10147	1.1
119.08595	1.1
121.10188	1.1
123.08038	0.9
127.11201	2.0
131.08603	1.2
140.06995	0.7
143.08537	0.9
187.07594	1.0
199.15018	0.7
215.10873	0.9
224.56549	0.8
381.24271	1.4
387.14493	0.9
390.14462	0.8
394.17676	1.1
399.25293	2.9
401.16498	1.1
414.13217	1.5
415.18143	1.6
416.19156	1.1
417.16058	1.3
419.17209	1.0
420.16000	0.9
427.13904	1.1
428.15128	1.1
429.15561	7.9
430.16214	3.7
431.17297	4.5
435.18509	0.9
440.15024	1.0
441.16092	1.5
442.16296	1.9
443.17389	2.7
444.18179	7.6
445.18716	2.6
448.19919	0.8
454.16541	4.0
455.17294	3.2
456.18057	2.7
457.14478	15.0
459.17096	1.5
469.18930	3.9
471.16269	7.8
472.17450	29.3
473.18277	4.0
473.28970	1.5
482.15961	2.0
483.16846	1.1
485.18912	1.1
496.17346	1.1
497.18179	10.2
499.19882	1.4
500.17218	3.0
501.18063	1.8
514.18604	0.9
515.19330	5.1
516.20135	2.1
530.21497	1.3
531.22455	10.0
543.22449	1.5
556.19495	8.3
559.21930	59.1
560.21954	4.1
569.20135	1.5
587.21490	5.8
619.24036	100.0
620.24091	6.1
629.22369	5.3
643.24335	2.3
661.25146	68.3
662.25757	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	662.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.01868	0.5
55.05500	1.6
55.05730	0.4
56.96650	0.4
57.03440	0.8
58.03644	0.4
61.02908	0.4
62.06084	0.6
63.81950	0.4
67.05503	1.2
68.99770	0.6
69.03149	0.4
69.03442	3.9
69.07072	0.9
70.06590	0.8
70.12481	1.6
71.04974	0.6
71.08635	5.4
72.08141	1.0
73.02918	1.1
79.05512	0.7
81.03424	3.5
81.07051	1.7
83.04973	0.5
84.04490	0.8
84.08138	1.3
84.86961	0.4
85.02915	3.1
86.06072	6.1
87.00822	1.7
91.05471	2.8
92.77769	0.4
93.07063	2.1
95.08609	4.2
96.08121	2.3
97.02911	2.4
98.09693	3.1
99.04451	1.1
99.08121	2.5
105.07020	0.4
108.08118	1.8
109.02888	3.0
109.10139	1.4
110.09669	0.5
114.09156	0.5
116.10740	21.9
117.06969	0.5
119.08580	2.9
121.08933	0.3
122.09660	1.6
123.08064	0.4
124.07593	0.5
127.03935	4.8
129.01891	0.4
136.11223	0.6
137.09625	3.8
140.10692	1.1
143.10648	2.3
145.04935	0.8
147.08051	1.1
152.14359	0.4
154.15915	3.5
155.10634	0.7
159.02864	0.7
164.14333	0.7
165.09146	0.9
166.15959	2.4
168.17511	1.1
178.15895	1.2
183.10170	1.5
187.06041	0.4
196.16980	8.0
201.09581	0.5
201.11221	3.5
213.04021	0.5
214.18031	100.0
215.18309	1.1
244.15244	0.4
254.21211	0.5
280.19104	0.6
316.21201	2.4
376.23257	1.3
396.27393	1.0
414.12802	0.6
414.28568	7.5
418.24380	3.6
444.22348	1.0
462.23364	38.6
463.23596	1.0
564.26544	1.1
618.34778	0.6
662.34009	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35455	2.8
53.03938	5.3
55.01877	25.1
55.05517	55.9
57.03433	14.8
57.07082	19.2
65.03928	5.1
66.75213	2.8
67.05511	82.9
69.03439	3.1
69.07078	59.1
70.78379	2.8
71.04997	3.7
71.08636	13.4
71.51129	3.6
73.02924	6.8
79.05502	47.8
81.03407	15.7
81.06591	5.1
81.07064	93.7
83.04978	10.7
83.08629	49.1
85.06538	5.7
85.10186	4.9
89.06044	8.5
91.05491	40.2
93.07052	69.6
95.04964	16.9
95.08607	40.0
97.06532	16.0
97.10185	24.6
98.98474	100.0
99.08092	5.1
105.07032	22.2
107.04949	4.7
107.08601	30.4
109.06508	8.3
109.10159	14.9
111.08065	8.6
111.11710	6.8
113.09634	3.1
117.07057	14.1
119.08604	19.4
121.06483	7.1
121.10167	21.0
123.08065	7.6
123.11734	7.7
129.07037	3.8
131.08591	15.9
131.90927	3.3
133.10120	12.8
135.08090	4.3
135.11707	21.1
136.99995	6.7
145.10155	6.0
147.11694	10.2
149.09613	2.9
149.13272	35.5
155.01056	73.4
159.11697	21.4
173.02156	3.5
177.12769	38.1
195.13828	24.0
215.14401	6.6
233.15500	6.4
237.22176	20.0
251.16466	55.4
266.41489	2.8
269.17471	37.4
311.25830	70.7
349.14011	21.7
387.15689	3.2
405.16742	17.1
423.17853	12.0
447.24963	4.0
487.37659	11.2
489.35818	7.1
505.38925	47.3
547.43671	8.8
561.41510	3.9
659.39026	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	660.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.2
55.01868	8.9
55.05511	49.2
57.03432	17.7
57.07074	27.3
67.05506	100.0
69.03447	5.3
69.07076	46.2
69.08314	5.1
71.04977	7.7
71.08632	22.8
76.11887	4.7
79.05503	57.6
81.03416	5.2
81.06599	5.6
81.07061	95.9
83.05001	10.9
83.08629	25.3
85.10189	12.0
91.05486	40.9
93.07055	61.9
95.04976	8.6
95.08615	49.4
97.02882	8.3
97.06513	11.3
97.10155	16.1
98.98463	19.6
101.38570	4.0
105.07043	29.7
107.04964	10.5
107.08112	3.9
107.08617	40.2
109.06507	9.3
109.10172	37.5
119.08579	26.5
119.12868	5.3
121.06528	9.1
121.10155	16.0
123.08027	5.0
123.11739	8.0
125.09623	6.3
129.06978	7.5
131.08551	19.9
133.10135	13.8
135.08037	5.8
135.11702	12.3
143.08617	4.4
145.10095	7.9
147.11700	6.9
149.13263	12.6
155.01038	19.4
159.11732	7.4
161.09584	5.7
171.38542	4.7
175.14819	4.3
177.12796	8.1
183.50696	4.1
223.13284	12.8
227.12788	15.4
229.14450	9.6
233.80547	4.5
251.16496	10.8
253.14369	6.1
261.22275	8.9
269.17465	16.6
272.31647	4.2
273.18509	12.3
277.21533	6.7
291.19568	78.2
312.26263	6.0
313.27307	38.1
335.25815	47.3
351.25461	8.5
365.23233	26.4
369.26108	5.4
406.16977	4.9
467.37289	26.2
506.39172	8.8
507.40591	31.5
589.47662	6.2
625.44904	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14028	1.5
55.05505	4.1
64.31303	1.7
67.05495	7.5
71.51567	2.6
79.05486	4.9
81.07057	5.2
83.04978	2.7
91.05449	3.5
93.07050	5.6
95.04991	2.0
95.08616	4.4
104.10752	2.1
105.07030	5.1
107.08575	4.0
109.10204	2.8
119.08575	2.9
129.06937	2.1
133.10100	2.1
145.10126	4.1
151.10963	1.9
163.11188	2.1
301.06949	2.2
308.13098	2.1
335.25858	5.0
370.10934	2.0
384.12076	4.5
385.12891	14.3
386.13669	3.5
398.13690	7.4
399.14566	21.5
400.15356	52.5
401.16074	2.9
412.15167	7.9
413.16263	18.3
414.17014	18.4
415.17133	2.5
423.14273	2.1
427.17996	13.3
428.18542	16.7
429.19348	38.4
441.15369	4.7
443.13388	3.5
444.14368	11.3
447.20883	1.9
455.17166	18.5
456.17636	4.3
457.14636	4.9
458.15869	7.3
459.16519	4.0
472.17313	7.3
473.18393	17.1
483.16705	14.1
487.16272	6.7
501.17590	9.3
502.22064	7.7
511.20078	3.0
523.16327	4.5
524.17542	2.3
527.15253	11.4
528.15820	2.6
529.20593	6.7
530.21667	31.9
539.19348	28.1
540.19446	5.5
541.17212	3.6
546.21027	16.8
557.20380	43.1
561.23138	2.8
573.19482	5.8
574.20642	100.0
575.20874	4.4
589.22699	7.7
601.19391	12.2
602.19452	4.1
605.22162	4.2
615.21075	19.3
617.22174	7.1
633.21698	5.8
643.20325	51.3
661.21173	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	659.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27962	0.6
55.05487	0.7
63.79488	0.7
65.63953	0.6
66.42459	0.7
67.05502	1.0
69.33815	4.6
69.34227	1.5
78.69135	0.6
78.78790	0.6
79.05479	1.1
79.77061	0.6
81.03380	1.1
81.07076	0.7
85.36058	0.7
89.03895	1.1
90.43165	0.6
91.05476	1.2
93.07034	1.5
94.06599	3.6
95.07322	1.8
96.08139	3.8
96.08626	0.6
97.06530	1.0
106.06521	1.0
108.04446	1.1
108.08105	3.9
110.09686	4.6
116.04971	3.1
120.08099	4.6
122.06014	4.6
124.07567	5.3
130.06451	0.7
132.04430	0.9
134.06021	1.6
136.06706	0.8
136.07593	6.0
138.09148	7.7
144.04448	6.4
144.08122	0.7
146.06026	1.8
148.07549	1.1
150.05498	0.9
152.07034	1.3
155.07352	1.3
160.03860	1.1
160.07504	0.9
162.05478	4.5
166.08647	8.8
170.09647	3.2
172.03947	30.2
172.07587	0.9
172.11237	1.4
172.39804	0.7
174.05492	0.9
174.09193	1.0
175.08717	0.9
183.06755	1.0
184.07663	1.0
184.11264	1.6
187.08656	1.1
187.12338	4.1
189.10121	0.8
190.05016	5.8
197.08388	0.9
197.10719	0.8
198.09157	23.4
200.09441	2.5
204.06573	36.5
212.10783	3.5
213.10371	0.8
215.11803	19.0
225.10149	1.9
226.08711	5.6
227.11723	2.3
229.13425	1.0
231.11304	0.9
237.10155	1.1
239.11722	0.9
240.10162	2.4
241.09727	2.0
241.13373	2.3
242.10442	2.3
243.11301	100.0
244.11664	1.2
253.09737	1.0
255.11235	5.1
257.12796	5.0
265.09763	0.9
269.12973	1.1
279.11377	1.1
285.12347	93.0
286.12732	2.0
297.12311	1.4
301.11865	5.6
302.12396	1.3
303.13394	82.2
304.13467	1.2
311.10004	0.8
313.12048	0.8
325.11810	8.5
339.09866	1.9
339.13611	0.9
357.14618	2.8
358.15283	2.5
371.12573	3.0
418.17780	1.1
430.17429	1.0
434.37885	0.7
453.27756	0.7
462.16623	1.9
470.16971	2.2
474.16504	3.8
476.18115	3.2
494.18741	0.8
583.25708	2.0
599.24841	2.2
609.24017	0.9
623.24017	1.1
627.24310	3.2
641.25958	10.7
659.25934	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2351
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
55.05517	3.7
57.03430	1.3
60.08152	1.1
65.57753	1.0
67.05505	6.3
68.91499	1.4
69.07071	2.7
70.19496	2.2
70.19909	4.5
71.04984	1.0
71.32666	1.0
79.05505	4.8
79.55420	1.0
81.03413	1.2
81.07060	6.8
86.09721	3.3
91.05498	4.4
93.07046	5.7
95.04978	1.5
95.08623	5.5
97.06567	1.3
97.10190	2.0
105.07057	5.1
107.04989	1.8
107.08638	3.5
109.06532	1.5
109.10133	1.1
113.39285	1.2
117.07013	2.4
119.08603	3.9
121.10154	3.0
125.00043	1.9
129.06949	1.6
131.08606	1.7
133.10143	2.8
143.08556	1.8
145.10139	2.2
149.09671	1.3
157.10129	1.5
159.08128	1.7
159.11710	2.4
161.13237	1.3
164.30396	1.0
184.07352	8.1
224.09325	1.1
225.13951	3.1
239.11868	1.4
241.51392	1.2
253.13454	7.2
335.25894	1.4
370.10809	1.5
374.14999	1.8
385.12994	1.3
398.13675	1.1
399.14697	3.2
400.15634	6.1
404.19632	7.7
409.12933	1.5
410.14230	1.2
412.15463	1.7
413.16269	2.8
414.16528	3.6
421.12982	2.5
422.13770	5.2
423.14551	5.3
424.15414	2.0
425.16382	1.3
427.17798	1.7
428.17654	1.7
429.18927	2.9
432.19290	3.2
435.14786	2.8
436.15344	5.2
437.16162	11.1
438.17029	2.8
443.17422	1.5
449.16116	3.0
450.16660	4.1
451.18558	5.7
452.18634	5.4
456.17502	2.8
457.18579	1.5
460.18823	1.6
463.13913	2.7
464.15015	3.8
465.15173	3.6
465.19705	3.7
467.17737	2.7
469.14957	1.4
470.15295	1.3
477.15482	2.1
478.16492	2.6
479.17093	3.5
480.17780	4.2
483.16956	3.2
484.17337	3.6
492.21674	12.0
493.19110	10.0
494.14951	2.2
495.16260	6.2
496.17102	3.4
498.15387	4.5
507.16745	2.5
508.17242	6.8
509.17682	4.2
510.14746	1.2
510.19269	1.4
511.19257	2.3
512.16711	11.0
516.23511	1.4
521.18341	11.4
522.16248	5.0
523.23273	2.1
525.21222	2.2
526.15149	2.4
539.19080	2.6
540.19623	5.9
543.22113	4.6
553.01752	1.3
553.20813	18.6
555.25952	1.8
571.21875	3.6
572.22070	5.5
581.20306	57.1
582.20691	1.7
597.26953	1.7
599.20874	22.8
600.21405	6.1
609.21112	1.5
613.23071	22.1
614.23529	1.5
615.27869	5.1
622.22742	2.6
627.24469	15.9
631.24060	5.1
641.22467	100.0
642.22827	7.3
644.21246	1.8
647.59967	1.5
659.23395	29.2
660.23029	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.8
62.14846	3.4
67.05499	12.8
71.50622	5.4
71.51033	3.5
76.54131	3.2
79.05502	7.9
81.07057	9.0
87.88366	4.5
91.05476	7.1
93.07046	9.0
95.04965	4.1
95.08627	9.1
105.06989	6.8
107.08587	3.8
133.10085	5.0
133.79218	4.0
135.11732	3.9
147.11600	4.9
163.11301	4.2
284.79282	4.0
351.16245	5.9
352.17615	4.6
367.19116	7.2
375.16986	4.1
379.19376	7.7
381.20795	10.8
394.18088	8.5
408.19623	5.3
409.20248	66.8
421.20380	10.3
422.21094	5.5
423.21979	23.3
424.22656	17.5
436.22485	6.0
437.23584	6.1
441.22839	4.3
451.20847	8.5
452.22675	6.7
453.22681	6.6
454.20245	3.9
469.25949	7.0
477.22656	4.8
481.22540	6.9
493.22427	4.7
494.23636	4.9
495.23880	14.5
496.22607	12.6
507.23865	8.5
508.24869	8.1
509.25439	6.5
510.26184	9.2
511.27451	19.3
513.25055	25.4
523.23303	12.4
527.27032	19.4
537.25214	6.8
538.25647	7.0
539.26801	10.3
545.38391	7.6
555.26086	14.7
571.29010	14.7
581.27423	6.5
583.25134	5.1
597.26971	24.7
598.28064	31.8
613.30206	98.8
614.27899	11.1
615.28204	100.0
625.26685	45.9
657.29321	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	657.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01887	1.0
55.05508	3.3
55.08629	0.9
57.03438	1.4
57.07076	1.1
61.48021	1.0
67.05508	6.7
69.07065	3.7
71.05006	1.2
76.11383	0.8
79.05504	6.9
81.03434	1.9
81.07053	7.0
83.04976	1.3
83.08609	1.4
91.05488	4.9
93.07058	5.8
95.04954	1.3
95.08607	5.5
97.10172	1.3
105.07037	4.7
107.04973	1.2
107.08616	3.2
109.06535	1.1
109.10170	2.4
117.07075	2.5
119.08607	3.4
121.06480	1.1
121.10178	2.7
124.07632	1.1
129.06999	1.1
131.08609	3.1
133.10153	3.2
135.08064	1.4
135.11722	1.0
143.08598	1.7
145.10202	1.5
155.08556	1.8
157.10240	1.2
159.11748	0.9
161.09819	1.0
163.11264	1.2
198.11334	2.2
202.39584	0.9
209.10823	1.4
210.11462	1.6
211.08618	0.9
224.09346	1.4
225.10194	1.4
225.13991	1.3
237.10355	1.6
237.13867	1.3
240.12579	1.2
241.13376	1.1
247.12563	0.9
249.14049	1.2
253.13356	7.6
263.15598	1.1
265.09937	1.4
267.14908	1.0
291.19565	1.2
293.09232	1.2
308.11850	1.3
335.26071	1.5
357.14877	1.1
367.19183	1.1
379.20270	1.2
395.18655	1.1
400.16602	5.7
404.19681	1.7
421.16568	1.1
433.16504	1.1
437.23792	1.2
438.20609	2.9
439.21310	1.6
446.75000	1.0
449.23840	1.5
453.23175	7.1
455.24414	2.8
460.18326	2.1
461.15692	1.3
464.18021	1.1
469.22565	1.6
475.17630	2.1
475.25116	1.2
476.22327	1.9
477.23459	1.3
479.20880	1.2
483.23965	4.0
491.20874	2.0
498.26373	3.4
501.22986	3.9
503.23895	1.0
505.22388	3.3
506.23459	1.4
507.24374	1.0
511.23877	3.3
517.18567	1.6
519.24188	1.2
524.24292	1.8
526.25885	10.6
531.24066	15.0
533.22070	1.7
534.19159	1.3
537.25232	2.1
545.18402	1.2
547.23615	2.6
548.24084	1.4
549.23376	1.4
553.24390	2.0
559.27136	1.1
563.19354	2.0
564.23083	1.1
565.24774	1.9
565.39343	1.5
575.22986	7.5
577.20819	5.2
579.25470	2.0
581.27252	1.5
592.23413	2.5
593.23657	3.8
597.27185	3.6
607.25537	52.4
608.25696	2.8
625.26434	12.4
639.28107	3.6
639.42780	4.7
657.29230	100.0
658.29529	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	657.292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87417	1.3
58.62374	1.2
59.93499	1.2
69.41051	8.5
131.07338	2.0
132.08005	1.2
146.09808	1.2
158.98035	1.3
181.08827	1.5
204.13522	1.4
221.10831	1.4
223.12283	1.7
233.10777	1.6
235.12355	2.3
237.13889	2.0
249.13950	2.3
259.12152	1.8
261.13983	1.5
273.13770	3.6
288.15485	1.6
312.14996	1.8
314.16235	1.4
318.16183	1.9
324.15158	1.3
325.15610	1.4
326.16589	2.5
332.17468	2.1
338.16580	1.9
339.17200	1.6
340.17862	2.0
349.15167	1.3
350.16541	1.9
351.16782	1.4
363.16214	2.9
364.17618	2.1
365.17957	2.4
375.16479	1.9
376.17560	2.1
377.17783	3.5
378.19040	3.9
379.19415	7.6
380.16565	2.0
389.17902	2.3
391.19702	6.5
392.20639	3.8
393.17032	3.7
393.21246	3.0
394.17648	2.0
395.18469	2.4
405.16467	1.5
405.20877	5.2
407.23080	6.1
408.19336	4.1
409.20398	8.0
410.18149	2.0
419.18588	4.3
421.19449	7.1
421.24356	3.8
422.20914	5.7
423.21921	24.5
424.22348	2.8
433.19998	2.2
435.22052	9.5
436.22491	5.1
437.24048	5.9
442.21378	1.9
446.21097	2.7
447.22495	2.2
448.20731	1.6
449.23322	5.7
450.23965	4.7
451.20993	7.2
452.22717	1.5
454.20087	5.9
456.22620	1.6
461.23782	7.1
462.21014	4.4
463.21201	5.9
464.21878	1.5
465.22784	5.4
466.22031	1.7
467.24301	5.7
468.25009	4.6
476.22412	1.5
477.22910	9.1
478.23337	4.1
479.25089	8.9
481.22180	4.6
491.20670	2.4
493.21490	8.6
494.27255	7.3
495.23669	17.4
496.24683	5.4
507.23822	3.9
508.24918	20.6
509.25842	14.1
510.26550	11.2
511.27426	14.7
516.24915	1.7
519.24268	2.3
521.25885	7.3
522.26233	3.4
523.23230	6.8
524.24261	2.1
525.28442	4.7
526.29132	3.4
537.25092	27.0
538.25867	13.2
539.25922	2.8
549.24658	4.0
551.22900	1.6
553.28571	12.6
555.25977	3.0
565.24268	4.5
566.24701	1.8
570.28101	3.4
581.27643	29.2
582.25769	2.6
583.25592	8.8
595.28711	1.5
596.27124	1.7
597.27197	61.8
598.27832	12.0
607.25702	2.5
613.30292	78.4
614.30316	4.3
625.26581	100.0
626.26514	4.8
644.61084	1.4
657.29272	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	657.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.9
59.41790	0.8
62.06097	0.9
67.05502	3.8
69.07071	2.1
70.84864	0.8
71.51204	1.2
73.13702	0.8
79.05491	3.3
81.03444	1.1
81.07069	3.0
91.05489	3.1
93.07059	3.6
95.04994	1.1
95.08617	2.9
99.92661	0.8
105.07047	2.4
107.08598	1.7
109.10177	1.4
113.14339	0.9
119.08585	1.4
120.63307	0.8
121.10161	1.0
129.07056	1.0
131.08556	0.9
133.10156	1.4
185.13269	0.8
191.14326	1.0
219.02521	0.9
235.12453	1.2
237.14130	1.0
249.06233	1.0
261.14114	1.1
359.05685	1.2
365.18018	1.2
375.16620	1.4
377.17972	1.2
380.20480	1.3
389.17889	2.4
390.19083	1.2
391.19363	2.6
392.16168	1.3
393.21109	2.4
394.18124	1.1
395.22537	1.8
404.16699	1.4
406.18539	1.3
408.19604	1.2
409.20337	2.7
417.17465	1.5
418.18201	1.3
419.18781	2.7
420.19733	1.3
423.21866	3.1
433.20227	3.6
434.21136	2.2
435.17889	1.2
437.19824	1.5
449.20053	1.7
450.20557	1.3
451.21631	4.6
453.19278	1.1
461.20230	1.3
463.21896	2.0
467.20901	1.7
468.21674	1.4
477.18875	1.6
478.20285	4.3
479.20880	16.3
480.21521	1.4
481.18582	1.7
489.19662	1.1
492.21515	2.9
493.22464	1.4
495.20392	1.5
496.20975	9.6
507.19958	6.2
511.23163	2.1
523.19965	2.4
527.22803	2.0
537.21436	2.7
538.21844	2.6
539.23004	2.4
545.38293	1.8
551.19135	1.5
555.24091	1.0
565.20581	2.7
566.21497	2.8
570.24323	1.3
583.22070	19.4
597.23792	1.7
625.23041	23.6
639.25153	1.2
657.25592	100.0
658.26202	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01838	1.7
55.05517	20.1
57.07085	25.2
63.27634	1.3
64.50742	1.5
67.05482	6.2
67.08162	1.4
69.07068	3.2
71.04973	5.5
77.03913	1.5
79.05470	4.7
81.07040	6.4
83.04990	98.8
91.05490	10.1
93.07043	7.0
93.07545	1.4
94.78747	1.4
95.04983	3.6
95.08588	3.7
98.20802	2.9
98.98482	7.8
105.04475	1.5
105.06986	4.6
107.04945	1.5
107.08582	2.2
109.10141	2.6
109.83612	1.3
115.05414	1.8
117.06999	1.8
119.08559	5.0
121.10060	1.9
128.06259	7.4
129.07024	13.1
131.08551	3.0
133.10097	3.1
135.11676	2.1
141.06992	3.4
145.06458	1.8
145.10095	2.6
147.08040	9.1
147.11722	13.0
149.09775	1.7
151.01550	2.9
157.07635	3.2
159.08060	1.8
161.13380	1.8
169.07512	1.5
169.56441	1.6
175.01570	47.7
181.02626	74.9
185.13206	1.5
187.01457	2.3
206.16165	1.7
225.13911	1.9
227.04677	27.6
231.07788	2.7
237.13817	2.2
239.04691	3.2
257.05811	9.1
283.10907	7.8
293.12646	2.1
304.15567	1.8
313.12033	48.2
337.02182	2.2
369.18265	22.6
421.20309	2.2
433.24448	2.3
437.23267	3.0
445.19998	2.4
449.19324	2.1
459.21674	5.2
460.22028	1.7
461.19019	2.4
463.21658	9.1
477.18460	8.3
479.24240	2.6
487.12308	3.9
491.23959	2.9
501.22540	3.7
509.25439	3.4
519.23859	2.2
533.24799	4.4
535.23022	5.1
536.24060	3.3
543.19153	59.2
550.25482	2.6
551.25964	4.9
561.24963	2.0
563.24152	2.1
565.28192	27.3
568.26276	2.7
579.25970	9.1
583.28632	6.2
595.25427	2.9
599.25385	100.0
600.25073	2.1
605.26691	2.3
606.27716	4.6
611.28253	3.1
623.25159	15.9
637.30896	7.6
655.27875	85.3
656.28137	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	656.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.5
55.01859	8.6
55.05518	37.1
57.03450	22.4
57.06831	5.1
57.07084	65.1
65.03928	7.4
67.05511	83.4
69.03433	7.9
69.07078	71.4
69.86260	16.6
71.05005	23.8
71.08638	47.1
79.05496	71.9
80.33749	3.2
81.03432	17.1
81.07066	83.0
83.04981	14.4
83.08627	26.3
83.32610	2.9
85.06554	5.3
85.10181	29.8
89.06039	3.8
91.05486	55.1
93.07056	57.9
95.04973	17.4
95.08613	60.7
97.06539	100.0
97.10157	12.7
99.08063	6.0
103.05499	3.5
105.07039	35.4
107.04967	14.8
107.08602	26.4
109.06542	22.6
109.10153	24.9
111.08100	5.3
115.07585	36.3
117.07036	20.6
119.08586	23.9
121.06509	6.5
121.10172	13.6
123.08128	4.3
123.11700	7.4
125.09631	3.9
129.07024	13.9
131.08594	17.8
133.10127	28.3
135.08061	13.8
135.11696	8.4
137.09682	4.3
143.08563	8.5
145.10149	13.5
147.08051	10.5
147.11684	7.3
149.09653	8.4
149.13257	9.4
151.05017	3.3
155.08409	4.1
157.10069	7.9
159.11719	13.9
161.09592	10.4
171.11694	5.5
173.13188	5.0
175.11221	4.5
177.12775	7.9
185.13361	5.5
195.13939	4.7
199.14723	3.8
217.15857	5.9
221.15506	6.0
239.23677	8.1
245.19124	8.3
253.14290	6.4
267.15881	6.2
269.17441	9.1
273.18506	33.3
291.19470	18.2
297.16824	5.8
300.87109	3.3
312.10306	3.4
313.27386	68.4
341.26816	8.4
347.22156	9.0
365.23285	8.8
500.77505	3.3
505.38815	6.3
507.40411	49.0
535.39801	5.2
544.40747	7.9
585.44330	4.7
603.45911	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	655.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.0
55.01868	1.0
55.05515	22.4
55.65158	0.7
57.06791	1.1
57.07079	22.1
64.84635	0.8
65.03953	1.0
67.05513	1.1
69.07073	1.4
69.24673	2.4
69.25093	4.4
71.05013	3.7
77.03954	1.0
79.05480	1.5
81.07041	1.0
83.04986	100.0
83.08637	0.9
88.14674	0.7
90.61163	0.7
91.05487	6.9
95.04971	2.1
95.08657	0.8
98.98476	4.7
105.04546	0.7
105.07047	3.5
107.08636	1.2
115.05475	1.3
115.95957	0.9
117.07063	0.7
117.98912	0.7
119.08610	2.3
128.06238	6.6
129.07019	12.7
133.10118	1.9
141.07016	2.9
145.06520	1.8
147.08043	7.6
147.11691	14.5
151.01537	3.5
155.06125	1.2
157.06552	1.1
157.07652	4.9
159.08084	2.0
161.13261	0.8
169.07655	1.8
175.01567	47.7
181.02615	83.7
185.13316	1.6
187.01653	2.9
199.03677	1.4
200.39409	0.8
227.04704	28.5
231.07928	3.1
238.60750	0.8
239.04610	4.1
257.05762	10.5
275.06900	1.0
283.10965	8.4
313.12000	51.6
314.12137	0.8
331.13190	3.6
369.18298	20.3
434.24213	0.8
480.21838	1.3
481.21518	1.1
487.12863	4.6
517.22217	1.3
519.23193	3.2
535.22260	1.0
536.24011	0.9
537.24200	1.6
543.19104	36.0
544.19611	1.4
564.94879	0.9
576.43781	0.8
581.22992	1.6
594.24969	1.0
596.25861	1.3
599.25360	87.4
600.25989	2.8
608.26282	1.0
623.24585	3.0
655.31824	72.4
656.32318	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	655.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87558	1.0
55.05512	2.1
57.07057	1.2
58.11820	1.1
67.05503	4.0
69.07063	1.7
70.05019	2.1
70.05412	2.6
79.05489	2.8
81.07050	2.9
83.04992	1.3
83.08605	1.3
91.05492	2.4
93.07035	2.9
95.08625	4.0
97.10149	1.5
105.07050	3.6
107.08627	2.3
109.10118	1.4
119.08623	2.0
123.11632	1.1
131.08595	1.0
133.10182	1.8
135.11765	1.9
145.10190	1.1
159.11713	1.1
227.12735	2.1
253.09241	1.0
275.15381	1.4
378.18680	1.4
393.20740	3.9
405.16776	1.6
406.17859	1.6
407.22394	4.1
420.19418	4.0
421.20050	6.8
422.20987	1.3
434.16653	1.6
435.22241	6.2
436.22775	5.6
437.23431	2.5
443.18585	1.3
448.18741	2.5
449.23715	9.4
450.23846	1.4
451.20798	1.6
459.22461	1.4
461.19656	5.6
462.20337	1.9
463.20767	18.7
464.22302	1.6
473.23456	2.1
475.21234	1.3
476.22153	3.8
477.22763	1.7
479.25201	1.1
481.25824	2.1
487.21967	1.4
490.24225	1.7
491.24371	4.5
492.25168	2.9
493.18359	1.4
493.23239	1.2
494.23260	1.4
495.23987	8.7
501.22763	1.5
506.19293	1.3
507.24088	1.8
508.24603	3.0
509.25528	34.2
509.32959	2.3
510.26138	1.9
518.23090	2.0
519.23840	3.0
521.21899	3.2
523.23901	1.2
535.23395	2.6
536.24213	13.6
537.24915	3.0
543.37067	2.3
550.25806	4.4
551.26477	3.9
553.24292	4.1
563.23169	3.7
564.23859	2.3
567.26520	1.3
568.26862	40.1
577.24109	1.5
595.25525	15.3
613.26611	1.4
623.26837	3.5
637.26740	4.8
638.30408	1.9
655.27600	100.0
655.37195	3.4
656.27930	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	655.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.4
59.43795	0.3
67.05501	1.1
79.05489	0.9
81.07053	1.2
83.08652	0.4
91.05492	0.9
92.30914	0.3
93.07025	0.7
95.08640	0.5
98.20719	0.6
107.08614	0.6
119.08594	0.6
121.10173	0.5
123.04555	0.4
133.10168	0.4
145.10162	0.4
158.92354	0.3
159.08133	0.3
169.46265	0.4
217.46777	0.4
222.11519	0.5
235.12381	0.6
237.13902	0.7
247.12399	0.4
261.13916	0.9
262.14685	0.7
279.15082	0.4
291.19653	0.5
376.16934	0.5
379.18823	0.4
390.18823	0.4
391.19339	1.5
392.20438	0.4
393.20938	0.7
405.16373	2.0
405.21625	0.7
406.17273	0.4
406.21957	0.8
407.18430	0.5
407.22507	4.7
408.23065	0.4
418.17804	1.0
419.18143	2.6
419.23279	0.9
420.19312	1.0
421.19919	1.7
422.21198	0.4
432.19656	0.6
433.20731	5.4
434.21152	4.4
435.21854	9.7
436.22559	0.8
446.21588	0.5
447.18195	2.3
447.22586	1.6
448.19101	1.3
449.19131	2.3
461.19537	1.5
461.24301	1.0
462.20374	4.5
462.25476	0.4
463.21228	3.6
465.22754	0.7
475.21393	2.5
476.22269	1.4
477.23096	1.6
478.23804	0.5
479.21191	1.4
489.22879	1.2
493.22247	0.6
493.26886	0.4
494.23331	0.6
495.24271	1.6
505.22281	0.6
506.24359	0.5
507.19458	0.6
507.24146	0.6
508.24930	2.4
509.25552	1.3
520.25116	0.4
521.25769	10.3
522.26459	0.4
535.24225	0.7
547.26941	0.6
549.25061	19.9
550.25598	0.6
553.24731	1.1
554.21466	0.5
563.27063	2.5
564.27087	0.9
568.26733	0.5
577.24799	1.5
579.26202	0.6
581.27692	3.2
595.29462	8.1
596.29535	0.7
605.23895	0.8
607.28033	0.4
609.27081	10.9
613.26837	1.2
623.27618	1.4
627.28650	0.7
637.26294	1.0
655.31317	100.0
656.31702	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	655.2766
Annotation	Karajinone A
Peak:m/z	Relative Intensity
53.99057	0.5
55.05503	1.4
57.07070	1.3
63.36528	0.6
73.53127	0.5
81.07063	0.7
83.04990	5.9
86.07934	0.5
91.05476	0.8
95.08569	0.7
98.20784	1.0
105.07021	1.0
121.76910	0.5
128.06224	0.6
128.73665	0.5
129.07050	0.6
130.83136	0.5
131.08543	0.8
137.09859	0.5
138.05231	0.5
144.08090	0.6
147.11713	1.2
169.07712	0.6
171.09227	0.7
175.01590	2.1
181.02617	4.8
183.09222	0.6
209.10617	1.2
210.11505	1.1
221.10788	2.0
222.11528	0.9
223.12196	2.9
224.13094	2.7
225.13869	2.1
226.14436	0.5
227.04727	1.3
235.12328	3.1
236.12988	2.6
237.13850	6.0
238.14616	4.2
239.15419	1.9
246.11514	0.9
247.12338	1.5
248.13126	0.6
249.10350	0.9
249.13898	2.2
250.14560	0.6
251.11771	0.8
251.15459	4.5
252.16243	1.8
253.17043	5.0
260.12817	0.5
261.13910	6.9
262.14685	1.1
263.11642	0.6
264.12454	0.6
267.15152	0.8
275.15363	0.9
277.17017	0.5
279.14944	3.4
280.15628	1.0
288.15363	0.5
289.16913	1.0
291.18417	0.5
298.13254	0.6
312.14722	0.8
313.11981	3.1
314.16708	0.9
328.18182	0.8
330.19699	0.7
339.16498	0.6
340.18008	0.8
350.08237	0.6
350.16510	0.8
351.16501	1.1
352.17551	2.1
353.17715	2.1
362.16217	0.6
363.16293	1.0
364.17749	1.4
365.17975	1.6
366.19064	2.2
367.19366	3.5
368.20563	1.1
369.18182	0.8
375.16077	0.7
376.17813	0.6
377.17807	3.5
378.19052	1.7
379.19434	1.6
380.16379	1.1
381.16705	1.0
381.20898	2.0
383.22247	1.0
391.19394	2.9
392.16156	1.2
393.16458	0.8
393.20773	2.1
394.18130	1.6
395.18460	3.6
396.19592	0.9
404.16211	1.4
405.17093	1.6
405.21576	1.0
406.18250	1.4
407.18649	3.7
408.19928	0.9
409.20404	2.2
410.21381	0.7
411.21875	1.5
414.21457	0.9
419.18610	1.9
420.19644	2.1
421.20309	1.8
422.20978	2.2
423.17563	1.1
423.22476	1.0
424.19312	0.6
425.19836	1.5
427.21432	0.6
433.20865	0.7
435.17792	2.7
437.19656	2.5
438.20935	1.6
439.21713	1.2
440.22336	1.0
441.23587	1.2
442.23874	0.7
448.19077	2.1
449.19559	4.1
450.20963	2.9
451.17062	0.8
452.22882	1.0
453.22968	1.4
454.24066	1.3
463.21210	0.7
465.18628	6.2
466.19601	1.1
469.26163	3.4
470.24057	0.7
475.21326	0.7
476.18408	3.2
477.19299	0.8
479.25195	3.4
480.21509	2.8
481.22186	1.7
482.23361	3.0
483.20416	2.3
492.21719	1.0
493.22458	1.8
494.23215	0.6
497.25775	7.1
507.24057	4.8
508.20972	3.2
509.22070	0.9
510.22729	3.7
511.23779	0.8
512.24713	0.9
514.25842	5.7
520.20636	0.7
521.21741	0.8
524.24774	0.6
525.25037	7.3
527.22736	1.0
529.28223	6.6
535.23303	3.8
536.22675	0.9
538.22113	1.0
539.26953	1.4
542.25317	1.6
543.18927	2.7
552.23810	1.9
553.24353	5.0
557.27637	4.1
563.22870	3.1
567.26093	5.4
568.24463	0.6
569.27496	2.1
570.24847	1.5
581.24005	4.6
585.27094	24.0
586.27472	1.2
595.25507	100.0
596.25916	3.8
599.25330	4.5
613.26575	98.0
614.26770	4.1
623.25031	1.8
627.28357	0.8
655.28925	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	655.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02378	1.8
53.03965	2.1
54.04876	1.5
55.05509	5.3
57.07080	3.9
64.63667	1.6
67.05511	8.3
69.07066	3.0
73.40582	1.5
75.44020	1.6
79.05499	11.1
81.03417	4.2
81.07069	10.7
83.04994	11.3
83.08619	2.1
91.05492	10.1
93.07062	10.2
95.04996	2.5
95.08611	7.3
97.06545	1.9
105.07034	7.2
107.04950	3.3
107.08622	4.0
109.06541	2.3
109.10149	5.0
116.01701	2.1
117.07027	1.8
119.08600	6.1
121.10217	2.4
128.06174	2.0
129.07002	2.4
131.08585	4.5
133.10135	3.5
134.06018	1.4
135.11742	1.7
137.05986	1.9
141.30840	1.7
143.08607	2.3
145.10130	3.2
147.08005	1.9
147.11702	3.0
149.09598	1.5
149.13170	1.7
151.07565	4.8
159.11717	2.6
163.11192	2.3
171.11699	2.2
175.01564	4.1
181.02608	9.1
207.09193	6.0
207.11656	1.6
208.10062	3.9
209.10770	4.6
210.11551	2.5
219.09190	2.4
221.10721	10.4
222.11589	6.6
223.12253	8.5
224.13100	4.8
225.13863	9.1
227.04794	3.5
231.09293	3.2
232.09978	33.3
232.12186	2.3
233.10605	2.1
235.08691	6.1
235.12419	3.6
236.09453	2.8
236.13171	4.4
237.10358	2.6
237.13899	11.0
238.14589	3.8
239.11954	2.0
239.15347	4.8
247.12350	39.4
248.12982	2.6
249.10223	4.2
249.13829	7.5
250.10999	2.4
253.13266	4.9
260.13196	1.8
261.13803	3.7
263.11951	3.2
265.13382	9.0
267.14954	19.4
268.12195	2.8
270.13449	2.0
270.58704	1.7
273.18680	2.0
275.11987	8.1
281.12881	6.4
283.14517	3.5
285.16098	3.1
291.19608	6.1
293.12878	100.0
294.13214	2.4
299.14200	1.8
311.13940	54.2
313.08640	2.6
313.12067	6.7
328.14545	1.8
328.18243	3.0
329.11328	3.8
340.17972	1.7
353.18823	2.2
355.09143	3.0
357.10593	2.0
369.24539	1.7
372.17279	2.5
386.18503	2.3
387.18933	2.1
396.17160	6.5
407.22330	2.0
412.20190	6.9
414.18088	3.3
415.18787	2.2
430.21481	19.6
463.21265	2.2
489.19684	1.8
499.21045	2.1
501.23047	2.4
503.20923	4.7
516.17499	3.2
519.23450	3.7
527.20776	2.5
530.20667	1.8
531.19171	3.8
543.18652	3.9
547.23560	7.7
548.21594	3.6
549.24316	2.5
551.26227	2.3
563.23059	3.2
568.23547	3.5
579.25616	5.5
581.23602	6.0
585.26917	9.1
587.22742	8.6
591.22388	44.0
594.25928	9.7
595.24835	2.7
599.25348	9.5
605.23608	6.9
606.23236	7.9
609.27057	2.5
611.28723	7.8
613.26666	12.8
619.25403	5.7
623.25037	90.7
624.24579	3.9
627.28174	8.6
637.26685	27.3
637.37775	2.6
637.40485	2.2
638.25323	3.2
655.27826	52.6
655.41870	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	653.2975
Annotation	Haplophytine
Peak:m/z	Relative Intensity
51.02421	0.9
55.05503	1.2
61.88971	1.1
67.05507	3.8
69.07076	1.6
69.72070	5.7
71.30619	1.0
79.05492	2.8
81.07057	4.0
87.69353	1.2
91.05508	3.1
93.07047	3.7
95.08629	1.7
98.20776	2.2
99.02685	1.2
105.07049	2.2
107.08590	1.4
110.03517	0.9
112.06453	1.1
117.07037	1.1
118.65405	0.9
121.10139	1.3
133.10168	1.5
144.86061	1.0
161.13326	1.0
198.59239	1.0
202.21066	1.0
210.11549	1.3
221.10884	1.5
223.12396	2.1
224.13220	1.1
263.77002	1.0
265.70901	1.1
389.17957	1.5
390.18826	2.2
391.19250	3.3
401.17966	1.2
402.18094	1.3
403.19650	3.5
404.19946	5.4
405.20798	15.0
406.21527	1.5
415.19312	1.6
417.20749	3.2
418.21838	2.4
419.22382	10.6
420.23322	3.1
431.22971	2.3
433.23993	8.4
434.24844	3.4
435.18130	2.4
444.19504	1.4
447.21552	3.2
449.19556	6.9
450.20972	1.7
459.22101	2.3
462.20126	1.1
463.21338	6.9
464.22305	4.6
465.23056	3.1
471.17654	1.8
473.24417	1.3
475.21490	3.0
477.22995	3.8
478.23856	2.7
479.24515	42.3
480.24667	1.8
487.21503	5.8
491.20023	2.0
491.24817	3.4
492.25540	2.4
493.25970	1.9
501.22675	4.5
502.23639	1.9
503.21219	1.3
505.22617	1.1
507.27597	22.0
519.23798	6.1
533.26019	5.7
535.23987	1.1
537.24847	9.8
541.38647	3.0
551.26526	40.5
552.27258	1.5
560.24005	3.1
561.24805	8.2
563.23199	1.7
565.28229	19.9
566.28925	84.7
567.29431	4.4
575.26770	10.2
593.27667	11.9
603.25708	3.2
621.27209	17.5
635.28827	19.5
653.29755	100.0
654.30170	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	654.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	20.6
57.07071	9.5
59.66534	3.8
60.12865	3.5
65.70267	3.7
66.87804	4.5
67.05508	46.0
69.07059	17.9
69.84834	21.0
72.90929	3.9
81.07050	11.7
83.08633	24.3
91.05490	8.5
93.07042	7.7
94.04303	4.3
95.08624	7.7
97.10158	9.7
98.21471	5.3
105.07015	4.3
105.45438	5.1
107.08611	4.8
109.10171	35.5
121.10320	3.9
132.52603	4.5
139.17062	4.2
143.39198	3.7
164.97159	5.1
173.11639	6.9
339.20740	4.2
351.85410	3.9
465.35837	100.0
622.27484	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	655.2769
Annotation	Swietephragmin F
Peak:m/z	Relative Intensity
50.82239	0.7
50.85070	0.8
54.63394	0.8
55.01882	1.1
55.05503	3.8
57.07059	1.0
67.05512	4.9
69.07044	1.3
71.50967	1.2
75.83129	0.7
79.05486	3.0
81.03429	1.0
81.07062	4.2
83.04985	4.2
91.05476	3.3
93.07050	3.9
95.04967	2.9
95.08609	3.1
105.07029	2.7
107.08614	1.8
109.06561	1.2
109.10146	1.3
119.08560	1.9
120.08076	1.4
121.10133	1.5
123.04453	1.0
123.11722	0.8
131.08582	0.9
133.10110	1.0
141.07031	0.9
145.10117	1.1
147.08043	1.2
147.11661	1.5
149.09566	0.8
171.17853	0.8
175.01569	1.8
181.02612	3.0
197.10744	1.3
207.09148	1.0
209.10690	1.2
210.11543	1.7
211.12427	1.0
220.09953	0.9
221.10645	1.2
222.11551	1.9
223.12315	3.8
224.13109	2.0
225.13905	1.5
227.04753	1.0
235.12347	1.9
237.13911	3.4
238.14671	2.7
239.15529	1.1
246.11511	1.1
247.12317	1.3
249.13866	1.7
251.15460	1.6
252.16225	1.2
261.13898	1.7
279.14603	0.9
281.12970	2.1
283.14459	1.0
293.12833	1.1
299.14215	1.8
313.11969	1.7
314.16382	1.6
324.15030	1.4
328.17929	1.9
338.12842	1.3
338.16531	2.2
340.18051	0.9
342.16028	1.5
352.18143	2.3
353.18829	1.8
355.16995	0.9
356.17746	2.1
358.19028	0.9
371.20117	1.5
372.17203	1.7
386.18466	3.2
386.22769	1.7
396.17087	4.0
397.17667	1.1
400.16534	1.3
403.19388	1.1
412.20416	6.8
414.18256	3.4
415.19116	1.6
418.18530	1.0
419.18988	1.3
420.19958	1.0
430.15524	1.5
430.21375	27.4
434.21075	1.2
443.18478	1.4
445.20370	1.1
446.19470	1.0
447.18277	1.7
448.18927	1.1
460.20538	1.0
461.19910	1.3
463.21606	1.7
470.18137	1.6
471.18286	1.7
472.18628	0.8
475.21429	1.9
477.22546	1.7
486.21414	1.6
487.21082	1.6
488.19870	1.2
489.19073	1.7
501.23160	2.2
502.22382	1.5
503.21133	4.5
504.22174	1.5
505.22089	2.8
511.21509	1.4
518.16626	1.0
519.24213	4.6
520.24219	1.7
521.21582	1.3
528.19275	0.9
529.22046	3.7
530.20569	2.3
531.20245	4.1
532.19031	1.4
545.21930	2.2
546.22247	1.1
547.23322	6.6
548.21454	3.7
549.21735	1.4
551.26355	3.2
562.23242	1.2
563.22357	2.0
573.21387	3.0
574.20056	3.0
576.19763	2.3
579.26257	7.0
591.22382	45.4
592.22339	2.7
594.25781	8.9
595.25787	2.4
599.25250	4.3
605.23938	6.8
606.23218	7.8
610.50293	1.0
611.28314	2.8
623.25043	100.0
624.24902	2.8
637.26678	25.1
637.37823	1.6
637.41913	1.5
638.25055	3.1
655.27411	18.3
655.41266	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01860	1.0
55.05515	2.2
57.03429	1.3
67.05508	4.1
69.07057	2.4
74.14354	0.7
79.05493	3.3
81.03427	1.0
81.07063	3.1
83.04986	0.7
83.08649	1.2
85.06541	0.9
91.05471	3.5
91.18635	0.6
93.07053	3.7
95.04985	2.9
95.08618	1.8
97.06552	0.6
98.21592	1.4
100.62089	0.6
105.07036	3.4
106.06547	0.7
107.04977	1.0
107.08611	1.7
109.06498	4.0
109.10175	0.8
113.06038	2.0
117.07009	1.5
119.08602	2.2
120.08134	1.1
121.06490	0.8
121.10179	0.9
123.08091	1.0
129.07016	0.9
131.08591	2.2
132.47461	0.7
133.10182	1.0
133.12979	0.7
135.08081	2.6
135.11702	0.9
143.08585	1.6
145.10146	1.9
147.08066	0.9
156.08101	0.7
157.10114	0.7
161.09631	0.8
166.08737	1.2
171.11687	0.8
189.09384	0.6
189.11156	0.8
194.09691	0.7
197.10913	0.8
209.10747	1.7
210.11482	1.2
211.12296	0.7
217.15984	1.2
219.09262	1.0
221.10828	2.7
222.11572	1.1
223.12344	1.8
224.13034	1.0
225.13881	0.9
235.12198	1.4
237.13948	1.4
247.12622	0.9
270.90945	0.8
273.18597	3.5
281.12863	1.9
283.14474	1.1
291.19592	10.2
298.16553	0.7
300.14984	1.3
314.16754	0.8
338.12857	1.1
342.16190	0.8
347.22107	0.9
360.17001	0.8
372.17148	1.1
374.18445	1.0
386.18558	1.1
388.20358	1.3
395.13824	0.8
402.19519	0.9
410.18912	0.9
419.19293	0.9
426.21936	1.5
428.17087	0.6
429.17093	0.8
431.18765	0.9
447.18384	0.9
456.81412	0.7
458.17163	1.1
460.22977	0.8
461.19977	1.1
462.20895	1.1
463.21359	1.2
472.16904	1.1
473.24075	0.9
474.17999	0.7
475.21667	1.1
480.22305	0.8
486.21347	2.0
487.21512	1.3
488.19525	2.2
489.19708	2.1
490.19275	1.0
499.21570	1.2
501.22940	2.2
503.21204	3.8
504.22333	1.2
505.23022	1.0
511.21429	1.4
513.18768	1.2
514.19635	0.8
517.18726	1.0
518.18048	1.0
519.24402	5.4
520.18176	1.0
522.22754	1.1
529.22351	3.8
530.20801	1.3
531.20490	3.7
533.18915	1.0
545.22113	2.0
547.23438	2.4
548.21826	5.7
549.21387	1.4
551.26563	2.7
561.17798	1.8
563.23065	1.7
573.21130	1.8
576.20105	2.8
579.26282	4.0
591.22406	53.9
592.22583	2.0
605.24182	1.8
623.25018	100.0
624.24976	3.1
637.26025	1.1
637.40906	0.9
655.28436	3.0
655.42053	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	653.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52154	0.9
55.05511	2.3
57.07084	1.5
57.97638	1.1
67.05508	2.1
69.07090	2.2
69.58926	3.5
69.59327	3.3
76.53999	1.1
79.05503	1.2
81.07061	3.8
85.73585	1.2
95.08591	2.7
98.20760	2.4
100.30649	1.1
146.35277	1.1
176.43681	1.3
183.31721	1.2
193.15910	1.7
249.51598	1.3
312.76450	1.3
373.49930	1.4
390.18335	1.3
391.19211	6.4
392.20026	3.3
401.97913	1.2
404.20386	2.0
405.20807	11.9
406.21573	7.1
407.22174	2.0
416.22034	1.2
419.22491	2.9
420.23047	6.3
421.23856	11.2
433.20258	4.9
435.18100	1.3
436.18878	2.6
443.28204	1.8
445.20425	2.5
447.21487	2.4
450.20651	2.4
451.20892	2.4
452.22321	3.4
460.22803	1.7
465.22925	39.9
473.19751	1.8
475.25717	1.8
479.24539	7.0
480.25323	3.9
487.20853	2.0
488.22079	8.1
491.20419	2.7
492.21252	2.0
501.23206	2.1
503.24500	49.3
507.27643	3.7
533.25708	1.6
535.27087	41.1
551.26599	4.6
561.24957	4.3
579.26056	34.5
593.27704	1.9
594.28381	18.3
621.27283	24.2
634.14032	1.3
653.29742	100.0
654.30164	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	653.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.7
56.23906	0.5
62.17303	0.5
67.05505	1.0
69.26466	1.0
69.26868	4.5
79.05494	0.8
81.07060	1.4
91.05449	0.8
93.07061	1.3
95.08621	1.5
98.20624	0.5
105.07047	1.0
117.07031	0.6
119.08530	0.6
121.10133	0.6
121.11951	0.5
131.08562	1.0
147.07945	0.6
183.09219	0.8
202.32205	0.5
221.10767	0.6
223.12292	0.7
224.13203	1.0
235.12263	0.8
247.12369	0.6
249.10017	0.6
298.13565	0.7
300.14920	0.6
301.21799	2.5
310.13339	0.6
311.14267	0.5
312.15155	0.9
314.16760	0.8
326.16571	1.1
327.17471	0.7
328.18307	0.6
335.25998	0.9
338.16510	1.1
347.14417	0.6
350.12271	0.6
366.16403	0.7
374.15768	0.8
375.16794	0.7
375.25394	1.1
387.15991	0.8
389.17856	0.9
390.18808	0.7
400.17599	1.1
401.17874	1.6
402.18704	0.8
403.19528	0.8
404.20587	0.7
405.21277	0.9
409.17844	0.6
413.17679	1.7
414.18680	1.0
415.19476	1.8
416.20206	1.8
417.21002	3.1
418.21664	1.7
419.22421	0.7
427.19290	2.2
428.20041	2.9
429.21817	2.6
430.21609	1.7
431.23318	2.7
432.23535	1.0
433.24155	1.9
441.20911	1.0
442.21744	1.1
443.22958	3.8
444.19458	0.9
445.24823	3.7
446.20581	0.8
446.25494	0.8
456.23221	0.7
457.16647	1.7
457.24365	2.7
458.17123	1.0
458.25024	3.6
459.21777	2.4
460.22409	1.3
462.20673	1.5
463.21500	2.1
464.22171	0.6
469.20575	1.3
471.18317	2.7
472.19177	2.1
473.24362	5.8
474.20889	0.9
475.21408	1.7
476.21555	1.1
477.23257	1.2
483.21783	1.5
484.22531	1.8
485.23517	1.1
486.20447	5.7
487.21521	6.8
488.22263	1.7
489.23419	1.2
490.23834	0.7
491.24860	1.1
492.25525	1.2
493.22183	0.7
500.22995	0.7
501.22952	15.7
502.23907	4.7
503.20291	0.6
505.26096	3.9
515.20923	3.1
516.21912	1.1
517.18915	0.8
517.26044	8.6
518.23444	1.1
519.24298	0.8
529.22205	6.5
532.21179	0.9
533.25598	9.9
543.24628	0.7
544.24390	1.1
545.24017	0.7
546.22693	1.4
547.23535	5.3
548.23920	0.8
549.22321	0.6
561.25024	44.1
562.25598	2.9
565.28210	9.5
589.24530	41.0
589.32025	0.7
590.24835	1.6
593.27716	4.5
607.25714	3.6
621.27112	100.0
622.27478	5.0
623.24792	1.1
635.46613	0.8
638.27704	1.0
653.29669	14.2
654.29926	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.261
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
55.05506	2.9
67.05486	1.9
69.25774	13.3
79.05473	2.0
86.09727	3.3
105.07063	1.7
107.08514	2.0
125.00024	2.4
125.09526	1.5
150.60738	1.6
184.07344	10.3
185.07675	2.5
185.34734	1.5
186.07825	3.0
220.25577	1.5
237.10315	2.1
240.01236	1.6
301.44373	1.7
327.13910	1.7
363.16223	2.9
375.16150	3.2
376.16898	3.0
377.17722	6.4
378.18414	3.5
389.17694	4.0
390.18652	3.1
390.96222	1.6
391.19333	10.6
392.20139	4.6
393.20795	5.3
404.20236	3.3
405.21078	9.9
406.21713	2.2
407.22421	11.9
408.22974	1.6
414.14502	2.7
419.22372	5.9
421.20419	6.6
431.18549	2.0
433.20444	5.0
435.22031	11.9
436.23019	2.9
437.19891	3.2
447.21820	6.4
449.19550	1.8
451.21320	6.9
459.17520	2.1
461.18774	2.1
461.23926	3.2
463.20871	2.5
465.18875	8.9
466.19888	3.3
473.19662	4.7
474.20645	2.9
475.21478	4.3
478.19940	1.8
479.20724	25.8
481.35294	3.3
487.21893	2.3
489.18777	2.3
489.24081	2.3
491.21146	2.8
493.26324	2.9
501.19098	7.3
502.20081	3.1
505.18823	5.2
515.21002	5.5
516.21417	4.6
517.22504	28.3
518.22498	2.6
519.21045	1.8
519.23389	1.8
521.25653	7.7
522.26447	4.7
523.23242	2.6
531.22522	2.0
533.22058	4.4
537.24927	4.8
547.23297	4.6
549.25012	43.1
551.23163	11.7
565.24213	7.2
566.25330	39.9
575.22577	11.9
576.23737	2.1
579.22729	5.6
593.24060	31.1
594.24677	4.0
603.22321	1.9
607.25568	6.8
609.27069	15.8
621.26648	6.0
625.26385	11.9
635.25079	100.0
636.25757	5.2
653.26086	94.9
653.42633	2.8
654.26709	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	653.2623
Annotation	Trichagmalin B
Peak:m/z	Relative Intensity
50.29235	1.1
53.03947	1.8
55.05513	2.8
55.74640	1.2
62.02772	1.1
67.05509	7.3
69.07066	1.9
69.66914	5.4
69.67319	2.6
70.03796	1.2
79.05505	2.7
81.03444	5.6
81.07059	4.5
82.03788	1.1
83.04977	2.5
83.08630	2.0
91.05508	3.6
93.07053	4.1
94.07391	1.4
94.97757	1.2
95.04987	1.7
95.08620	4.3
97.02855	1.3
105.07050	2.5
106.66251	1.1
107.08603	1.9
109.10167	5.9
110.10480	1.4
117.06967	1.5
119.08601	2.4
120.08878	1.2
121.10175	1.5
129.06985	1.3
131.08595	1.8
135.11674	1.6
195.55681	1.2
202.71797	1.2
209.10834	1.7
211.08789	1.4
237.10278	1.6
377.17697	2.9
380.13773	1.6
385.42960	1.3
389.18021	2.9
390.18484	4.9
391.19263	9.7
396.17276	2.1
398.15271	1.9
400.17017	1.8
403.19644	2.2
404.20255	2.0
405.21078	10.3
406.21570	4.0
418.21918	2.1
419.22534	3.8
420.23227	2.6
428.16327	3.8
429.16681	2.0
433.20221	6.4
434.21558	1.4
435.18381	4.9
436.18939	1.3
445.20508	1.4
447.22388	1.7
449.19824	5.2
450.20575	3.2
451.21317	3.5
459.17825	2.6
461.19269	5.5
463.21790	5.9
464.21753	2.6
465.23035	9.5
473.19800	4.7
477.95868	1.7
479.20200	9.8
487.21512	2.5
491.20859	4.2
492.21417	2.8
493.22351	30.6
494.22870	2.7
501.19177	4.7
505.18774	3.9
506.23013	2.2
507.24057	12.1
515.20856	4.8
516.22101	2.0
517.22491	7.5
518.22504	1.5
519.20416	2.1
523.23334	5.6
531.24231	2.0
533.21948	5.3
537.25690	13.7
538.25739	4.0
549.25269	3.2
551.22949	24.7
561.21442	10.6
565.24524	20.4
566.25269	100.0
567.25610	5.8
575.23297	2.7
578.21539	1.7
593.14569	2.6
593.24017	44.2
597.26752	1.7
621.23517	47.6
622.23724	1.8
625.26825	10.2
635.24994	11.5
653.26080	95.5
654.26617	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	652.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27827	1.3
53.03946	3.2
55.01876	3.3
55.05510	3.6
57.03427	4.3
65.03970	1.8
67.05496	2.6
69.07065	2.4
71.04996	1.6
71.49944	2.0
73.02927	1.4
74.43011	1.2
77.03935	1.5
79.05495	11.7
81.07066	21.9
83.04966	2.0
85.02914	3.0
85.06524	1.9
91.05486	13.8
93.07053	65.6
94.17963	1.3
95.01300	2.7
95.04967	5.5
95.08634	2.2
97.06549	9.3
99.04463	8.6
101.06061	2.8
103.05470	1.6
105.07043	17.5
107.04958	1.5
107.08592	5.3
109.06504	11.3
115.03928	1.6
115.07579	2.7
115.47746	1.2
117.07043	2.1
119.04985	1.6
119.08605	16.9
121.06511	100.0
122.84415	1.4
127.07592	6.9
128.06229	1.7
129.05472	2.3
129.06990	3.6
131.08566	4.4
133.06502	3.9
133.10156	12.9
135.08069	3.2
137.05975	2.9
139.07533	15.8
141.01820	2.0
142.07735	3.3
143.08548	5.9
145.10074	7.3
147.08076	4.7
147.11703	23.8
155.08557	2.0
156.09364	3.9
157.10136	17.0
159.08072	2.8
161.09641	5.0
161.13269	8.9
166.07822	2.1
171.11722	17.8
173.09630	1.5
173.13293	3.9
175.07497	1.3
175.09749	2.5
175.11189	24.1
187.05951	2.8
189.12767	44.2
193.12308	2.8
195.10216	11.8
199.11208	15.8
207.13826	5.2
213.11220	10.2
217.12248	68.9
232.80469	1.5
235.13251	14.5
253.10733	2.3
291.16028	11.8
298.47882	1.6
307.15543	1.8
309.16989	52.9
310.89780	1.6
321.16913	6.1
349.16425	19.0
367.17603	10.8
423.20227	16.5
441.21170	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.05524	1.4
62.40177	1.1
67.05500	3.1
71.50504	1.4
72.96828	1.3
76.35801	1.2
77.03954	1.3
79.05490	2.7
81.07044	2.6
85.24839	1.3
91.05464	2.0
93.07014	1.8
95.04970	2.6
104.04997	4.0
105.07037	2.0
120.08032	2.1
134.06012	4.3
138.60017	1.3
178.05035	10.6
219.09285	1.3
223.08611	1.8
225.10254	1.6
226.58591	1.2
235.08629	1.8
247.08765	2.4
261.10233	1.4
264.09171	1.2
265.09610	1.4
275.08228	2.0
275.11716	1.4
277.09750	1.8
279.11520	1.6
293.12656	1.7
297.12540	1.3
303.07581	2.9
312.14969	1.5
314.12900	1.7
324.11234	1.8
325.12473	1.6
327.09863	2.0
328.14465	1.7
338.12900	3.2
340.14542	1.7
342.12375	1.9
352.14395	2.9
353.11493	3.4
354.12393	2.3
356.14008	1.7
358.15359	2.1
363.10016	1.5
365.11392	1.7
366.12427	4.1
368.13977	2.5
380.13950	3.8
382.15714	1.7
384.13269	2.2
408.13666	3.4
410.15250	1.7
412.12482	2.0
416.16238	1.7
426.14249	1.9
431.18857	1.9
440.17145	1.4
443.14572	1.5
444.15479	2.3
445.20358	1.8
458.17255	1.9
473.19830	3.2
487.21564	1.9
491.20541	2.6
496.14972	1.6
501.19193	5.8
515.20709	3.7
529.18402	1.9
533.21960	3.6
535.96082	1.5
543.20502	6.9
545.21899	2.9
546.18390	1.8
547.23706	1.8
549.30859	1.4
559.23407	12.4
561.20947	6.1
565.24677	1.9
571.19513	4.3
575.22534	3.8
593.23938	10.9
603.22443	100.0
604.22113	4.1
621.27002	6.2
635.25159	10.2
653.26123	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	652.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.6
55.01861	6.0
55.05507	7.0
57.03447	6.1
60.50986	1.9
67.05502	8.1
69.07064	3.0
70.62138	4.7
70.62465	2.2
71.04999	5.1
79.05114	2.5
79.05502	20.9
81.07058	37.3
83.04985	4.3
85.02895	5.2
85.06553	4.1
91.05484	21.8
93.07047	85.0
95.01328	5.0
95.04968	7.8
95.08588	4.6
97.06545	14.8
99.04449	14.4
101.06004	3.4
103.05450	2.2
105.07036	37.6
107.04971	3.2
107.08602	10.8
109.06509	22.7
117.06998	3.8
119.08575	34.3
121.06512	100.0
123.08105	3.7
127.07545	12.2
128.06212	3.7
129.05486	6.6
129.07013	7.5
131.08562	7.5
133.04964	2.6
133.06487	7.7
133.10153	22.3
135.08038	5.9
137.06000	6.0
139.07541	24.9
141.01842	7.8
142.07759	7.8
143.08591	14.7
145.10118	13.6
147.08067	7.2
147.11703	47.4
156.09334	8.8
157.06451	2.5
157.10143	32.0
159.08020	2.8
161.05952	2.3
161.09624	5.4
161.13287	19.4
166.07733	2.4
171.08064	2.5
171.11679	30.3
173.09567	5.0
173.13190	3.1
175.11200	39.2
181.10094	3.3
189.12741	68.6
193.12202	5.4
194.08197	2.4
195.10193	12.1
199.11189	22.2
207.13812	9.5
213.11186	2.7
217.12251	96.3
218.12515	2.5
235.13300	18.1
253.10793	17.8
253.14386	5.9
291.15945	22.2
303.16132	2.7
307.15512	2.8
309.16986	78.7
321.17023	3.8
331.15439	2.9
341.19867	2.3
349.16452	41.3
367.17508	18.0
423.20197	44.9
441.21225	56.5
617.24365	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	3.2
53.03936	8.4
55.01866	6.8
55.05518	33.8
57.03440	12.8
57.07072	4.5
59.04997	2.3
61.02910	2.0
65.03933	4.5
65.49344	1.9
65.52222	3.0
67.05511	100.0
69.03439	32.5
69.07076	17.7
69.58179	9.3
71.04998	9.3
74.47568	2.4
79.05500	36.4
81.03426	75.0
81.06593	4.0
81.07066	71.7
83.04993	37.6
83.08636	14.8
85.02911	5.4
85.06541	3.4
91.05492	30.6
93.07051	34.7
95.04960	8.5
95.08617	56.4
97.02906	23.0
97.06547	6.9
97.10184	23.5
99.04451	6.6
105.07036	23.0
105.48958	1.9
107.04953	3.4
107.08607	25.8
109.02867	14.2
109.06521	3.4
109.10165	57.0
111.04457	11.0
111.08092	5.0
117.07051	11.3
119.08604	19.4
121.06526	3.3
121.10173	17.0
123.11720	8.7
125.09653	17.8
126.42328	2.0
127.03953	10.8
129.05479	17.0
129.06972	4.3
131.08595	13.1
133.06448	3.6
133.10165	14.6
135.08055	6.1
135.11694	9.2
137.09648	5.9
141.07011	2.6
142.07837	2.1
143.08545	8.1
145.06487	2.5
145.10190	10.4
147.08084	3.7
147.11697	8.8
149.09639	2.6
149.13268	6.1
155.08583	2.7
155.10693	6.6
157.06467	2.9
157.10141	5.7
159.11708	9.5
161.13249	5.7
163.11159	2.3
163.14844	2.7
167.08641	3.5
169.10106	4.8
171.11670	4.5
173.11743	14.5
173.13260	4.8
175.14825	2.5
177.16386	2.4
183.11752	3.2
185.13246	4.6
187.11111	2.8
187.14763	3.4
189.11191	16.4
193.10196	2.4
195.11696	2.5
197.13287	3.0
201.12691	2.2
223.14839	2.4
227.12761	18.4
229.14383	21.4
245.13898	4.5
245.22763	2.4
259.20621	4.3
261.22147	11.2
263.23743	5.5
299.14911	4.7
301.21521	2.8
303.23151	2.6
319.22824	2.9
327.23294	2.9
335.25906	16.1
337.27499	15.4
341.24402	2.6
351.23053	3.4
353.24689	2.1
369.24420	8.4
371.16779	10.0
373.18521	10.4
375.25317	3.2
387.25302	5.8
421.00443	2.2
461.29016	4.3
487.33896	2.8
489.35709	5.6
507.36700	6.9
526.22949	2.2
532.27985	2.2
546.54919	1.9
597.37579	5.7
615.38934	6.3
619.14722	2.4
633.39917	16.9
651.41095	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	651.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.4
55.01853	4.4
55.05513	37.2
57.03425	10.2
57.07077	3.3
59.05014	2.9
65.03922	3.8
67.05508	100.0
69.03149	2.4
69.03433	25.9
69.07075	17.8
70.10085	5.0
70.10482	4.0
71.04987	8.8
71.60767	2.5
74.70496	2.0
79.05492	34.2
81.03420	71.0
81.07059	65.2
83.04992	27.5
83.08640	12.6
85.02895	7.6
85.06537	4.3
91.05481	27.1
93.07050	39.3
95.04955	8.7
95.08605	46.1
97.02884	21.4
97.06538	5.7
97.10162	13.0
99.04458	5.7
99.08098	3.9
105.07034	15.5
107.04911	3.2
107.08591	25.6
109.02879	9.9
109.06499	5.7
109.10159	58.9
111.04437	9.7
111.08064	5.1
117.07037	11.9
117.48896	2.5
119.08571	21.8
121.06523	4.6
121.10170	16.0
123.11716	5.0
125.09627	16.7
127.03894	8.2
128.06175	3.3
129.05444	10.6
129.07002	8.8
129.31334	2.4
129.32312	2.3
131.08589	14.6
133.10158	11.8
133.11031	2.8
135.08000	6.2
135.11690	8.8
137.09608	4.3
137.13251	2.4
142.07750	2.8
143.08568	6.7
145.06464	3.7
145.10135	13.9
147.11676	8.0
149.09673	2.9
149.13272	4.9
153.09071	2.7
155.08595	4.0
155.10667	6.0
157.10114	5.7
159.08141	4.9
159.11696	7.1
161.09674	2.9
161.13275	4.2
161.22459	2.1
163.11174	3.3
169.10121	4.2
171.11639	5.1
173.11749	13.4
173.13269	6.4
183.11775	2.9
187.14812	3.7
189.11218	10.8
195.11714	3.5
197.13304	2.8
199.14890	4.2
227.12799	24.5
229.14339	34.0
245.13940	3.2
247.82076	2.3
261.22171	7.2
277.21561	4.0
279.23212	2.7
297.13501	2.5
299.14850	5.9
301.21475	4.7
303.23206	3.8
319.22473	3.1
335.25748	7.8
337.27347	14.1
351.23026	3.6
353.24683	3.0
369.24121	11.0
371.17142	11.1
373.18759	7.5
387.25299	6.8
405.26630	3.6
443.28030	3.8
461.28580	3.1
479.30212	3.7
489.36063	2.7
505.34235	2.6
505.48996	2.7
597.37823	5.7
615.38641	7.5
633.39935	23.5
651.40833	16.3
678.56104	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	651.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30494	2.0
53.03947	8.8
55.01866	6.3
55.05520	29.7
56.49572	2.0
57.03436	9.3
58.43245	2.3
65.03934	4.4
67.05511	100.0
69.03435	30.4
69.07070	15.5
71.04990	7.0
71.09859	6.1
79.05503	37.7
81.03425	49.9
81.07059	57.4
83.04986	28.0
83.08633	11.7
85.02915	3.5
91.05490	29.8
92.99238	2.3
93.07051	37.2
95.04972	7.4
95.08617	36.9
97.02899	21.6
97.06541	5.7
97.10186	15.9
99.04468	6.7
105.07025	24.5
107.08604	21.5
109.02885	7.5
109.06511	4.2
109.10164	47.4
111.04450	8.5
115.16711	2.5
117.07031	11.7
119.08603	20.0
121.10155	14.1
123.08064	5.2
123.11717	5.7
125.09622	12.9
127.03935	8.9
129.05516	10.9
129.07019	9.0
131.08597	14.7
133.06487	3.4
133.10136	13.0
135.07968	4.2
135.11679	12.7
137.09616	4.6
143.08560	7.7
145.10149	11.0
147.08069	2.4
147.11670	12.8
149.09648	3.4
149.13263	7.2
155.08585	4.5
155.10725	6.0
157.10150	7.0
159.11685	11.6
161.09641	2.5
161.13312	3.7
171.10274	5.6
171.11674	4.2
173.09590	2.4
173.11757	14.9
173.13206	4.7
175.14745	2.5
183.11705	4.4
185.13252	2.6
189.11230	8.8
189.12801	2.2
225.12766	3.3
226.89291	3.2
227.12737	14.3
229.14348	24.4
259.20621	2.8
261.22137	6.6
263.23831	4.2
299.14700	4.0
301.21695	3.9
319.22858	2.2
333.23700	3.1
335.25873	12.3
337.27313	12.2
341.24780	5.8
345.24121	4.3
351.23065	5.3
353.25085	2.9
354.71423	2.4
369.24329	9.6
371.17093	7.2
373.18591	6.0
387.25238	4.8
405.26221	3.2
443.27902	2.3
461.29031	4.6
479.29892	3.9
489.35828	4.1
499.05182	3.1
507.36728	6.8
615.39124	4.2
633.39783	14.4
651.40710	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	651.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
55.01870	6.2
55.05515	28.3
57.03439	12.1
57.07078	2.2
58.50604	2.0
59.05013	2.3
65.03938	2.6
65.05090	1.7
67.05510	100.0
69.03093	2.1
69.03436	26.9
69.07079	14.9
70.63326	5.4
71.01368	3.5
71.04993	7.9
74.12712	2.4
77.71301	1.9
79.05505	36.2
80.26610	1.8
81.02988	3.4
81.03424	40.5
81.07064	53.6
83.04981	17.8
83.08626	11.8
85.02898	7.4
85.06554	3.9
91.05492	32.8
91.06033	3.6
93.07052	35.9
95.04963	8.4
95.08616	42.1
97.02908	13.6
97.06538	6.7
97.10153	10.8
99.04510	2.7
99.08092	2.6
102.24097	1.9
105.07036	26.0
107.05016	3.6
107.08604	23.1
109.02885	7.0
109.06529	4.3
109.10169	61.8
111.04435	9.4
111.08086	3.8
111.11727	2.2
113.49318	2.0
115.05448	2.9
117.07029	13.3
119.08595	21.1
121.06547	2.8
121.10157	15.8
123.08114	5.0
123.11718	6.7
125.09595	10.3
127.03927	5.8
129.05492	7.3
129.07019	6.7
131.08571	16.3
133.06467	3.1
133.10173	15.1
135.08073	6.2
135.11713	7.1
137.09625	8.3
137.13152	2.5
139.11157	3.8
141.07106	2.6
143.08614	9.5
145.10133	12.4
147.08014	2.7
147.11673	8.7
149.09669	4.0
149.13226	4.7
151.11227	2.2
155.08607	4.9
155.10687	8.3
157.10162	7.0
159.08095	2.9
159.11700	9.6
161.09698	4.6
161.13269	4.8
163.14856	3.5
165.12778	2.7
166.60829	2.1
169.10188	3.4
171.08072	2.3
171.11687	6.8
173.09592	3.6
173.11761	15.8
173.13284	6.3
175.11229	2.5
175.14841	4.0
181.10075	2.6
185.13210	3.5
187.14883	4.2
189.11266	7.5
191.14345	2.4
195.11784	2.8
197.13286	4.1
199.14824	4.9
227.12781	14.0
229.14352	39.1
235.14871	2.7
245.13869	3.8
261.22202	3.3
275.20029	2.5
277.21829	3.0
289.21548	2.9
299.14841	2.9
301.21576	5.8
303.23386	2.8
335.25916	8.5
337.27615	9.4
341.24973	3.1
345.24417	3.5
351.23135	5.9
369.24225	10.9
371.17120	5.4
373.18631	5.6
387.25336	7.7
405.26352	3.8
423.26590	2.9
443.27664	4.7
461.29095	6.4
463.19601	2.4
479.29929	5.7
489.35699	4.7
517.36041	2.2
573.38055	3.5
597.37427	7.1
615.38507	8.5
633.39807	16.2
651.41046	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	646.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	20.3
57.03443	28.6
57.07066	19.0
61.54962	16.5
66.73933	18.3
67.05502	92.7
69.07059	49.6
71.51130	42.4
79.05494	82.8
81.07079	100.0
87.38678	18.3
91.05476	73.5
93.07050	92.9
95.08598	68.1
97.10205	21.0
98.98534	19.5
105.07048	96.2
107.08605	46.4
109.10165	52.5
117.07076	30.2
119.08566	56.5
121.10137	43.7
131.08614	28.5
133.10124	55.5
135.11739	42.4
138.55504	19.2
143.08537	33.3
145.10118	38.0
147.11745	25.2
148.29802	19.1
149.13293	25.4
159.11708	31.0
161.13263	23.7
163.95316	18.7
236.51102	23.0
238.79588	18.1
241.19498	29.2
259.20517	55.2
298.30356	23.7
310.77347	21.8
333.24136	26.8
335.25848	25.0
524.64545	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	650.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.2
56.05045	0.7
58.06631	0.5
59.07375	0.2
60.08171	6.4
67.05506	0.6
70.80746	0.3
71.07384	3.7
74.75709	0.1
81.07050	0.2
84.08152	0.1
86.09715	31.3
91.05508	0.2
98.98476	3.5
104.10748	2.4
104.43163	0.1
109.10165	0.3
110.32356	0.1
115.73697	0.1
125.00016	21.7
145.84517	0.2
184.07356	100.0
185.07721	0.5
196.15158	0.1
320.01321	0.2
350.83023	0.1
395.37051	0.2
467.37366	0.2
485.77417	0.2
496.34274	0.2
650.43964	5.3
651.45459	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	645.292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	12.8
63.04486	1.4
67.05501	4.5
71.51109	1.9
79.05465	1.3
82.06586	1.7
85.53024	1.3
91.05480	3.8
93.07040	5.5
94.06568	8.7
95.07339	8.3
96.08138	12.3
101.64568	1.2
103.05427	1.4
108.04496	3.3
108.08131	9.5
110.09000	2.5
110.09678	21.8
120.08096	16.0
121.20683	1.2
122.06049	10.4
129.06999	1.4
132.04425	2.3
134.06032	2.4
136.07581	6.3
138.09152	25.6
148.07581	5.8
150.09224	3.4
152.07068	2.0
160.03967	9.3
164.07033	4.1
166.08643	34.3
171.03278	1.7
176.07072	1.3
178.05025	1.4
199.08644	2.3
204.06543	3.2
211.06294	1.4
211.08614	3.7
211.12416	2.0
213.10298	1.9
222.11546	1.9
223.08440	2.5
223.10345	2.1
223.12267	1.9
225.10246	12.2
226.11102	6.2
227.11812	5.9
235.08672	2.7
235.12259	3.2
237.10214	7.3
237.13837	2.0
238.11060	4.5
239.08121	8.4
239.11852	15.7
240.12619	3.7
241.11194	17.3
248.09598	2.7
249.10242	7.8
250.10909	7.0
251.08295	3.4
251.11784	19.6
252.12640	3.4
253.09717	5.7
253.13367	10.8
254.10506	11.3
259.12186	16.0
262.10904	1.8
263.11877	13.7
264.12537	7.5
265.09818	6.1
265.13370	21.3
266.10538	2.8
266.13940	2.4
267.08847	2.5
267.11301	6.1
267.14734	1.8
277.09720	4.0
278.10580	3.0
279.11349	8.0
280.12000	1.6
281.12866	11.5
282.13617	3.1
283.10788	3.8
283.14490	4.5
285.09680	13.3
285.12930	8.9
291.11356	2.0
292.12033	1.8
293.12823	5.9
294.13635	1.7
295.10727	2.4
295.14322	1.5
296.11594	5.2
297.12280	8.9
299.13901	14.9
303.11221	5.3
309.12354	58.7
310.12744	2.9
311.13925	22.2
319.10751	2.6
321.12305	3.9
324.10892	2.6
327.13406	100.0
328.13733	2.8
335.08057	4.5
337.11850	11.1
338.12567	4.7
339.13306	11.8
341.14948	5.2
353.09128	4.1
357.14487	6.1
358.14966	1.9
359.15961	11.7
369.14508	38.2
370.15115	2.0
371.16022	26.1
372.16284	1.6
404.19797	4.0
416.19760	3.8
430.17694	6.2
432.19263	12.7
435.13464	2.2
442.17853	3.0
448.18625	29.3
460.18747	38.9
474.20175	4.5
480.21368	37.4
481.20578	1.7
490.19708	2.1
491.20349	1.6
492.21295	70.3
493.21756	2.9
522.21289	3.0
523.23334	3.3
524.22919	3.6
527.19519	2.6
545.20477	5.9
595.25458	2.0
613.26129	6.9
627.26373	1.7
645.25702	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	643.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.7
55.01865	8.5
55.05274	2.4
55.05515	39.5
57.03203	2.6
57.03443	34.4
57.07076	4.4
59.04990	2.6
65.03929	6.9
67.05508	95.8
69.03419	5.4
69.06732	3.0
69.07072	38.8
71.05002	13.5
71.52271	2.5
77.03918	2.8
79.05496	92.1
81.03410	5.7
81.07061	100.0
83.04987	11.3
83.08618	17.3
85.06565	10.7
91.04900	3.5
91.05486	76.9
93.07047	84.2
95.04975	17.2
95.08616	74.3
97.06532	24.5
97.10162	7.9
98.28893	2.0
99.08099	37.5
103.05482	3.8
105.04523	5.9
105.07038	65.4
107.04959	14.4
107.08604	45.6
109.06514	17.0
109.10161	27.2
111.08076	7.2
111.11697	2.0
113.05973	2.1
115.05434	4.0
115.07580	12.2
117.07027	32.2
118.44093	1.8
119.08585	49.6
121.06503	8.5
121.10144	30.7
123.08081	8.9
123.11718	7.6
125.09597	6.1
127.07564	14.0
128.06236	3.8
129.07013	17.7
129.09116	2.2
130.07762	3.7
131.08583	37.3
133.06516	4.6
133.10132	36.9
135.08070	14.1
135.11693	13.8
137.09575	11.3
139.11235	2.5
141.06998	4.1
142.07802	3.0
143.08586	17.4
144.09265	2.3
145.06532	2.9
145.10129	26.9
147.08083	10.3
147.11674	17.8
149.09619	9.6
149.13289	9.9
151.11203	4.2
155.08560	6.4
155.10675	4.4
156.09369	2.9
157.10136	19.9
159.08063	5.1
159.11690	20.7
161.09642	9.0
161.13245	8.3
163.11209	4.9
163.14725	2.1
165.12737	2.5
167.08611	4.0
169.10107	10.9
171.11697	14.1
173.09573	4.9
173.13266	12.8
175.11197	7.5
175.14818	5.8
179.10686	2.5
179.14372	2.1
181.10112	6.5
183.11685	7.9
185.13336	9.2
187.11205	2.0
187.14801	5.1
189.11154	3.5
189.12726	3.3
189.16374	3.5
191.14333	2.8
195.11670	4.7
197.13271	8.1
199.14833	13.5
201.12698	3.4
201.16414	3.5
203.14366	3.6
205.15735	2.4
207.13773	2.4
209.13246	3.4
211.14859	2.5
213.16449	3.1
217.15884	27.1
219.13834	3.0
219.17336	2.6
223.14819	3.6
227.12648	3.0
227.18004	3.7
233.15370	5.1
235.16945	2.9
237.16356	3.4
241.19585	2.6
245.18945	5.7
247.14674	2.4
255.17366	5.1
259.20505	8.2
261.22098	6.2
263.20090	3.0
267.15948	2.6
273.18481	38.7
275.20004	5.8
291.19516	32.8
293.21182	10.0
309.20914	2.4
315.23013	2.3
333.24207	3.2
335.22012	3.3
335.25797	39.2
336.26071	2.9
347.22159	9.3
365.23325	13.6
367.24921	3.6
391.28287	2.5
393.26752	1.8
443.32764	2.4
501.35306	3.4
515.38611	4.1
529.38501	2.1
533.39819	6.0
541.39160	4.6
545.38403	2.4
551.40881	6.2
553.38373	3.1
554.26514	2.2
567.40295	3.4
569.41504	3.8
607.43359	9.2
625.44696	33.2
643.28326	3.8
643.45782	47.3
644.45715	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	643.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.3
55.01876	9.4
55.05271	2.2
55.05516	35.6
57.03441	35.3
57.07072	5.0
65.03938	6.3
67.05510	98.0
69.03434	4.4
69.07076	43.0
70.70818	4.1
71.04991	11.3
73.02921	2.6
76.55328	1.4
77.03902	3.0
79.05499	75.6
81.03437	7.7
81.07061	100.0
83.04984	9.5
83.08624	16.7
85.02893	2.0
85.06561	9.0
91.05488	80.6
93.07051	88.4
95.04985	14.6
95.08615	62.1
96.05263	2.4
97.06541	23.0
97.10165	8.1
99.08097	43.5
103.05480	3.2
105.04537	2.4
105.07038	58.7
107.04954	14.6
107.08602	48.7
108.08860	1.8
109.06524	16.4
109.10167	28.6
111.04432	2.6
111.08070	8.0
113.05952	1.9
115.05457	4.3
115.07582	10.9
116.06243	2.6
117.07033	29.3
119.08590	44.5
121.06503	6.7
121.10153	34.8
121.11018	1.9
123.08089	9.9
123.11692	7.2
125.09630	5.7
127.07587	18.5
128.06230	5.4
129.07024	16.9
131.08594	37.9
133.06499	5.7
133.10135	34.1
135.08078	14.0
135.11699	18.4
137.05989	1.8
137.09633	12.2
137.13252	2.8
140.37891	1.6
141.07019	6.5
142.07832	3.3
143.08595	19.3
145.06497	3.5
145.10115	30.0
147.08080	8.4
147.11710	18.3
149.09599	8.8
149.13278	9.9
151.11186	4.0
155.08588	8.4
155.10652	6.5
157.10138	15.6
159.08083	3.8
159.11699	19.2
161.09636	10.8
161.13272	9.1
163.11188	5.5
163.14879	3.1
165.09091	2.2
167.08534	2.8
168.09305	1.7
169.10094	9.2
171.11685	14.4
173.09593	4.8
173.13292	13.6
175.11177	5.4
175.14861	3.5
176.90172	1.6
177.12752	2.6
179.10744	2.5
179.14322	1.6
181.10178	5.1
183.11696	7.7
185.13293	9.9
187.11247	2.9
187.14816	5.2
189.12798	3.5
189.16420	2.3
193.10046	2.1
193.12148	2.5
195.11723	4.6
195.13782	2.5
197.13219	5.6
199.11200	3.1
199.14813	7.5
201.12758	4.0
201.16422	2.8
203.14246	2.2
209.13275	3.8
211.14859	4.3
213.12657	2.6
213.16357	2.9
217.15909	19.7
219.13986	1.8
219.17450	3.4
221.18349	1.6
223.14812	2.8
227.12798	3.4
227.17932	4.8
233.15385	2.7
235.16943	2.8
241.19542	3.5
245.19121	5.2
255.17435	5.5
257.18866	2.3
259.20535	4.8
261.22040	3.9
263.20184	1.9
271.20779	1.8
273.18527	36.4
274.18509	1.9
275.20203	7.8
289.18225	1.9
289.21613	2.1
291.19559	29.8
293.18137	2.2
293.21036	8.7
333.24182	5.7
335.25903	41.8
347.22220	9.2
365.23306	14.9
367.25238	3.7
383.69839	1.8
385.31506	1.7
391.28418	4.2
501.35583	3.2
515.38354	3.0
533.39685	4.0
535.46094	1.8
541.38702	2.0
545.38074	2.7
551.41040	7.1
555.40057	3.1
569.41620	2.4
589.06775	1.7
607.43524	8.3
611.07703	1.9
611.24738	4.6
625.44543	27.8
643.28186	2.9
643.45697	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.6
55.01861	8.9
55.05274	2.4
55.05517	33.9
57.03439	13.7
57.07076	4.7
65.03938	6.0
67.05508	100.0
69.03423	5.6
69.07073	23.8
71.04984	6.2
71.08632	5.6
71.51887	3.3
77.03913	3.2
79.05495	75.0
81.03414	7.8
81.07060	98.5
83.04990	17.4
83.08617	15.4
83.98256	1.9
85.06541	5.4
85.10191	1.8
89.06061	2.2
90.75462	1.8
91.05482	72.3
93.07049	81.1
95.04975	18.7
95.07992	3.8
95.08605	64.0
97.02875	3.0
97.06528	13.4
97.10166	9.5
99.08067	4.0
103.05467	4.2
105.04527	2.9
105.07037	58.7
107.04963	18.4
107.08602	47.9
109.06532	14.0
109.10159	38.6
110.30730	2.1
111.04436	2.8
111.08101	7.2
115.05424	2.6
117.07013	23.0
119.04983	2.2
119.08596	34.5
121.06514	18.9
121.10149	26.7
122.44901	1.9
123.04411	3.1
123.08097	8.7
123.11726	7.5
125.05969	2.0
125.09630	4.7
127.07511	2.8
128.06247	2.6
129.07010	7.5
130.07788	3.7
131.08582	28.2
133.06522	12.8
133.08611	3.1
133.10147	51.6
135.08066	13.5
135.11705	19.4
137.05997	3.0
137.09619	6.5
139.07544	5.7
142.07770	2.5
143.08598	11.4
143.09608	1.8
145.06508	2.1
145.10143	20.1
147.08063	12.5
147.11697	13.3
149.09644	11.7
149.13261	6.4
149.25790	2.1
151.07521	2.4
151.11186	26.7
155.08505	5.1
157.08337	1.9
157.10141	6.2
159.08081	4.9
159.11679	9.5
161.09630	17.3
161.13210	5.0
163.11157	4.4
165.09123	2.5
169.10143	3.2
169.12276	2.2
171.08125	2.4
171.11673	8.6
173.09619	3.1
173.13300	5.6
175.11201	9.6
177.09134	7.0
177.12749	3.1
179.14326	6.0
185.13280	3.6
187.14804	4.5
189.12752	5.8
195.11720	2.5
199.11180	3.9
199.14856	3.2
207.13885	2.1
213.12738	2.3
213.16389	2.4
215.12865	3.1
217.15973	2.3
243.21054	2.6
245.19051	17.7
251.12836	7.6
253.14363	28.4
255.17499	6.7
257.91074	1.8
261.22165	6.7
263.20102	8.9
273.18503	58.3
275.20132	4.6
277.21600	2.5
291.19556	58.4
293.21115	5.5
309.20737	11.8
315.94516	2.2
317.24716	2.3
335.25827	64.2
336.25897	2.4
347.22168	11.8
365.23242	51.9
383.24173	3.3
489.36871	2.2
523.25964	2.5
529.35345	2.9
531.36700	3.3
599.32623	2.7
607.43414	5.3
625.44659	44.2
643.45892	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	643.457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86391	0.7
51.02361	1.0
53.03933	3.4
53.98616	0.8
54.59637	0.8
55.01878	9.4
55.05514	22.9
55.73666	0.9
57.03439	21.0
57.07076	1.7
65.03938	6.0
67.05508	67.3
68.05818	0.9
69.03437	2.0
69.07072	13.2
71.04987	3.4
71.08632	1.6
73.43972	0.8
79.05495	50.0
81.03407	3.5
81.07060	52.4
83.04980	4.5
83.08627	7.8
85.06540	9.6
91.04911	1.1
91.05485	36.9
93.07049	44.0
95.04974	46.2
95.08611	32.6
97.06538	8.0
97.10175	4.8
99.04455	1.3
99.08109	1.2
103.05465	2.2
105.04516	1.6
105.07039	24.2
107.04289	1.4
107.04955	11.2
107.08601	27.0
109.06523	53.3
109.10162	12.6
111.04427	2.4
111.08071	3.1
113.06015	23.1
115.05463	3.4
117.07015	15.1
119.07809	1.5
119.08597	20.2
121.06503	7.8
121.10147	14.6
123.08084	6.1
123.11707	2.9
125.09649	2.9
128.06186	2.6
129.06996	7.4
130.07796	1.6
131.08577	20.8
133.06499	2.9
133.10115	10.3
135.08063	38.9
135.11707	11.2
137.05998	1.2
137.09613	1.9
139.07434	0.9
141.06967	1.4
142.07771	1.3
143.08571	9.1
145.06476	1.5
145.10129	15.1
147.08052	8.8
147.11691	5.8
149.09642	6.1
149.13237	6.1
155.08580	2.2
156.09543	1.0
157.10123	7.8
159.08101	2.9
159.11708	8.8
161.09628	9.3
161.13277	3.8
163.11163	3.7
163.14813	1.1
165.09207	0.9
167.08699	0.9
169.10132	3.4
171.11655	4.3
173.09528	1.4
173.13229	4.2
175.11201	2.6
175.33504	0.9
177.12752	3.5
179.14340	1.3
183.11746	1.8
185.09680	1.1
185.13263	2.8
187.11270	1.6
187.14742	1.5
189.11215	1.5
189.12756	1.2
195.11884	0.9
195.13756	1.9
197.13301	1.7
199.14821	3.1
201.12785	2.5
203.07701	0.9
211.14816	1.2
213.16327	1.0
217.15880	12.0
223.13211	1.2
227.12776	3.5
227.17918	1.9
233.15338	2.5
237.16331	2.5
243.21268	0.9
245.19066	3.3
250.96761	0.9
255.17346	2.6
259.20624	1.2
261.22058	2.8
273.18488	34.5
275.19989	1.9
279.15732	1.2
291.19556	100.0
291.60333	0.8
292.19943	2.2
309.20621	1.6
335.25827	39.3
347.22180	5.8
365.18808	1.6
365.23233	10.9
365.27609	1.6
465.22440	1.1
467.24527	1.2
497.25986	1.2
523.26831	1.5
533.13611	1.0
539.26398	1.8
545.37994	2.0
555.29639	1.8
567.26025	1.9
571.29205	2.1
581.27417	2.7
583.16156	0.9
583.25098	2.5
599.28534	3.5
607.43549	5.7
611.24890	3.4
625.34619	1.7
625.44659	28.6
643.27203	1.8
643.45404	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	643.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
55.05515	58.8
58.47041	2.2
65.03941	4.5
67.05515	15.0
69.07066	5.2
69.78855	2.3
71.51576	3.6
72.88438	2.2
74.60305	2.2
79.05496	21.5
81.07073	24.5
83.04990	100.0
83.08608	2.7
91.05492	26.8
93.07050	24.9
95.04976	11.1
95.08626	16.7
105.07027	28.3
107.04939	2.7
107.08624	14.3
109.06544	3.5
109.10175	6.6
111.04468	2.2
115.05434	4.8
117.07029	10.9
119.08578	18.6
121.06508	5.1
121.10149	6.9
123.08103	2.3
128.06226	4.9
129.06992	12.3
131.08556	19.9
133.06499	4.6
133.10135	10.2
135.08084	3.0
135.11652	5.4
141.07025	7.0
142.07809	6.9
143.08569	16.2
145.06470	3.9
145.10179	13.1
147.08115	4.4
147.11676	5.4
149.09680	2.8
149.13367	2.8
153.06992	2.8
154.07834	2.7
155.08614	12.1
157.06506	3.3
157.10135	13.9
159.08060	6.3
159.11691	14.1
161.06056	2.9
161.13264	6.5
165.07030	3.6
167.08569	3.7
169.06479	3.9
169.10133	9.7
171.08037	5.8
171.11667	6.0
173.09583	5.4
173.13289	4.9
175.11180	2.7
179.08528	4.7
181.10176	4.9
182.10875	2.7
183.11685	6.1
185.09689	5.5
185.13245	6.3
187.11211	3.3
187.14854	4.3
193.10121	5.5
195.11693	5.8
197.09492	3.4
197.13257	5.8
199.11256	4.7
199.14851	4.8
201.09015	3.0
201.16440	4.4
205.10199	3.2
207.11719	4.0
209.13211	3.9
211.14853	4.4
213.09149	3.4
213.16396	3.6
215.10829	2.9
223.14825	3.6
225.16653	2.1
243.10127	5.0
267.21167	6.2
275.19925	3.0
283.20557	3.5
321.10892	2.3
331.50192	2.2
359.15009	3.1
506.19058	3.4
525.29944	4.3
543.23370	2.6
543.30890	11.4
625.35242	5.5
627.32318	2.4
643.26843	3.3
643.36615	12.8
651.15717	2.7
671.59412	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
55.01873	2.9
55.05518	62.4
57.03437	1.7
65.03944	4.3
67.05508	20.9
69.03434	2.2
69.07079	7.1
70.32882	1.5
70.33250	4.1
77.03940	1.3
79.05502	21.0
81.03386	1.3
81.07060	28.2
83.04988	100.0
83.08593	2.7
91.05494	32.6
93.07057	31.5
95.04970	16.4
95.08617	18.4
97.02882	1.4
97.06515	3.0
97.10185	1.6
98.86087	1.3
103.05470	3.7
105.07035	32.5
107.04966	3.8
107.08596	17.5
109.06513	4.9
109.10168	10.0
115.05476	5.5
116.06195	1.5
117.07036	16.9
119.04945	3.9
119.08586	23.5
121.06525	4.6
121.10163	13.0
123.08096	2.3
123.11690	2.8
125.09637	1.5
128.06235	9.6
129.07028	14.4
130.07652	1.8
131.04956	1.7
131.08583	21.9
133.06516	5.9
133.10121	10.0
135.04456	1.5
135.08090	4.5
135.11690	5.7
137.09621	1.5
141.07018	8.3
142.07802	10.4
143.08589	16.4
145.06483	4.3
145.10130	15.6
147.04419	4.5
147.08084	4.2
147.11655	8.6
149.09680	2.7
149.13274	2.1
152.06255	1.9
153.07008	4.2
154.07773	4.1
155.08551	10.1
156.09340	2.3
157.06534	3.1
157.10147	16.5
159.04390	2.0
159.08072	6.7
159.11713	14.2
161.05994	5.2
161.09631	4.2
161.13263	7.7
163.11221	1.7
165.06995	4.5
166.07806	2.3
167.08566	8.4
168.09367	1.5
169.10129	10.0
170.07179	1.9
171.08084	3.8
171.11702	9.7
172.08885	2.0
173.09590	2.1
173.13284	8.3
175.07520	2.1
175.11217	3.5
175.14867	2.9
178.07741	2.6
179.08647	3.3
180.09407	1.6
181.10141	4.7
182.07413	1.8
182.10976	1.7
183.11711	7.3
184.12459	1.6
185.09586	6.8
185.13297	6.3
187.07596	3.0
187.11209	3.6
187.14867	3.7
189.09146	1.5
189.12773	1.5
191.08643	1.5
192.09364	2.8
193.10179	3.8
195.08038	1.9
195.11743	5.4
196.10048	1.7
197.09586	3.1
197.13275	6.0
199.11215	3.5
199.14880	8.0
201.09091	2.7
201.12758	1.7
201.16338	3.0
205.10138	1.4
207.11743	4.8
209.13319	4.4
211.14893	5.3
213.09113	6.4
213.16449	2.9
215.10710	3.1
218.10985	1.7
221.09555	1.6
221.13297	2.4
223.14830	2.5
225.10347	2.4
225.13847	4.1
225.16452	3.5
226.11101	1.6
233.13300	2.3
235.14830	2.8
237.10188	4.3
237.16425	2.0
238.11072	2.2
239.17944	3.1
241.08696	4.3
241.13326	1.7
241.15796	1.7
241.19530	3.0
243.10201	4.6
245.13345	1.8
247.14932	2.2
251.11832	1.5
251.18057	1.5
253.13429	18.8
259.09604	6.5
259.20657	3.5
265.09763	4.2
265.19617	2.6
267.21024	7.7
269.22723	2.0
275.20071	3.8
281.09183	1.4
283.20615	3.7
289.12207	1.7
293.09192	5.0
313.12344	1.4
325.11969	4.1
333.24332	2.8
335.25970	2.2
341.14224	2.3
343.15436	1.8
353.11411	1.8
359.14886	4.8
367.24872	2.3
446.17130	4.4
460.18796	2.1
461.16089	1.5
490.19736	2.2
491.20789	1.9
503.16617	1.6
505.22113	1.8
507.28925	1.7
525.29950	6.3
533.21741	4.4
538.68878	1.4
543.31207	7.6
561.21313	2.9
565.24579	8.7
593.23969	80.3
594.23920	2.7
611.24152	2.1
625.25946	4.3
625.35229	5.2
625.44116	1.8
643.27393	14.2
643.36481	8.4
643.45410	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	643.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01869	1.9
55.05509	7.5
57.03444	3.7
57.07077	1.0
65.03943	1.5
67.05504	19.9
68.41370	0.8
69.03423	1.5
69.07069	7.1
69.82091	4.4
71.04983	1.3
77.03896	0.8
79.05499	14.8
81.03429	1.3
81.07055	19.9
83.04967	1.2
83.08627	4.1
85.06541	0.8
91.05476	10.6
93.07049	15.0
95.04967	3.3
95.08617	10.2
97.02917	0.9
97.06532	2.2
97.10205	3.8
97.10722	0.7
98.20842	1.1
100.17816	0.7
103.05457	0.8
105.07043	7.8
107.04951	3.1
107.08608	9.0
109.06519	3.7
109.10179	5.7
111.08067	0.9
117.07026	5.0
119.08594	5.9
119.54399	0.7
121.06515	2.3
121.10141	4.9
122.84389	0.7
123.08069	2.0
123.11712	1.2
125.09650	2.7
129.07036	1.2
131.08578	5.3
133.06505	1.5
133.10114	4.6
135.08119	1.8
135.11702	3.1
143.08591	2.1
145.10120	4.6
147.08069	2.3
147.11707	3.2
149.09671	1.4
149.13260	1.2
151.11243	1.0
157.10147	2.3
159.11740	2.8
161.09689	2.0
161.13255	1.3
169.10085	1.7
169.12206	0.8
171.11732	2.2
173.13297	2.4
175.11189	1.2
183.11740	2.0
185.13344	1.6
189.11208	1.8
195.09232	0.9
197.13347	1.2
199.14928	1.2
223.12834	0.9
227.12793	2.1
235.12459	1.3
235.17090	0.8
236.09319	0.8
236.13390	0.8
238.14682	1.0
245.19121	1.1
251.15620	0.8
261.13922	1.0
261.22214	2.3
262.14651	1.0
263.15369	1.1
265.13593	0.8
273.18561	6.3
275.20151	1.2
279.14838	1.8
291.19540	19.0
314.16565	1.5
335.25818	11.0
339.16232	1.0
340.18271	2.2
342.15967	1.2
347.22067	1.2
350.16046	1.0
353.17917	1.6
354.18497	2.8
358.19055	1.7
364.17145	1.3
365.17798	2.6
365.23291	6.6
367.19476	1.5
369.20859	5.4
375.16769	1.1
377.17902	1.4
378.18826	1.9
379.19272	4.7
380.20157	0.9
381.21222	1.0
389.17636	1.8
390.19070	0.9
391.19336	2.2
393.16721	1.4
393.20999	1.9
397.20206	4.3
403.19617	1.4
407.18552	1.7
409.20261	1.9
419.18823	1.2
421.20294	2.2
425.19690	6.2
437.19821	2.9
439.21570	1.0
441.22931	1.4
443.50150	0.8
448.19327	1.3
449.19913	6.3
450.20541	1.7
451.21335	2.6
452.22467	2.4
456.25217	2.9
463.21445	3.8
464.17871	1.6
465.19089	1.7
467.24487	2.8
469.22333	1.3
477.23083	2.2
478.20236	2.5
479.25116	3.9
480.22531	1.6
481.22473	1.4
482.22943	1.0
483.23676	1.0
484.24796	3.4
491.20978	2.4
495.24124	5.8
497.21921	1.1
505.22604	1.6
507.23959	1.6
508.21274	4.5
510.22565	2.2
511.23541	1.5
512.24194	6.7
513.35754	1.2
523.23456	26.6
523.31171	1.5
533.21790	1.0
551.22882	8.4
555.26245	1.1
572.26874	1.0
579.22333	13.7
583.25586	26.7
607.43353	0.9
611.25037	14.6
615.28168	1.6
625.44739	13.5
643.27612	100.0
643.45355	4.6
644.27979	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	643.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
55.05516	2.8
56.52313	0.3
57.03430	0.4
57.07066	0.4
65.55652	0.4
67.05515	4.3
69.07084	1.2
71.08640	1.0
74.09762	0.3
74.43820	0.3
79.05503	4.3
81.03429	0.6
81.07070	4.6
81.08022	0.4
83.04986	0.5
83.08616	1.1
91.05488	2.8
93.07063	4.3
93.69173	0.4
95.04963	0.7
95.08609	3.3
97.00339	0.4
97.06522	0.7
97.10197	0.8
98.21526	1.1
99.08115	0.8
105.07041	2.4
107.04965	0.8
107.08586	2.1
109.06544	0.8
109.10175	1.1
117.07043	1.0
119.08573	2.2
121.06499	0.6
121.10152	1.1
123.08109	0.5
125.09631	0.8
127.28011	0.4
129.07054	0.6
131.08601	1.1
133.10156	1.6
135.08109	0.7
135.11685	1.3
137.09644	0.6
143.08592	0.7
145.10179	1.7
147.11684	1.2
147.51822	0.3
149.09601	0.4
149.13300	0.9
151.11224	0.6
157.10132	0.4
159.11726	0.6
163.11186	0.6
171.11696	0.7
173.13324	0.8
179.14323	2.2
183.11700	0.6
187.14912	0.5
227.12865	1.0
229.44652	0.4
240.04080	0.4
275.20139	1.2
277.21738	1.3
291.19363	0.5
293.21240	1.3
335.25806	0.7
349.23822	0.6
351.25555	0.5
403.74588	0.4
545.38525	1.4
556.27185	0.4
625.44733	2.5
643.25305	100.0
644.25488	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	643.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02444	0.9
55.01863	1.5
55.05503	4.0
57.03426	2.1
60.09597	0.9
67.05511	9.2
69.07043	2.3
69.56422	5.5
75.24555	0.9
79.05503	6.8
81.07069	7.6
83.04995	1.3
83.08637	1.0
91.05474	4.3
93.07057	7.0
95.04969	3.6
95.08592	5.3
97.06576	1.2
97.10155	1.1
98.21543	1.1
105.07025	4.3
107.08591	3.9
109.06514	2.7
109.10159	3.4
111.69519	0.9
117.06973	2.3
119.08572	2.7
121.10146	2.3
125.92365	0.8
131.08554	3.8
133.10118	2.9
135.08014	2.2
135.11679	1.3
143.08545	1.8
145.10126	2.6
146.09596	1.2
147.11673	1.2
148.07622	1.1
157.10143	1.3
158.09624	1.3
159.11690	2.5
160.07558	1.1
161.09563	1.2
182.09688	1.1
221.10768	1.8
225.13832	1.0
233.10745	1.5
234.11507	1.7
235.12364	1.9
237.13835	1.9
239.11838	1.0
247.12292	1.2
249.13966	2.2
259.12173	1.2
261.13846	1.6
272.12988	0.9
273.13824	1.6
273.18506	3.0
274.13480	1.3
275.15292	1.5
276.14914	1.2
286.13208	1.2
287.15552	1.3
288.16049	1.4
291.19540	8.1
302.13022	1.2
312.14990	1.1
314.16458	1.5
318.15964	2.6
332.17551	1.7
335.25934	5.4
338.16342	1.3
339.17044	0.9
340.18173	1.5
350.16357	2.0
352.18063	2.6
353.18338	1.1
362.15991	1.2
363.16159	1.4
364.17487	1.7
365.17746	2.5
365.23416	1.7
366.19183	2.1
375.16364	1.3
376.17062	1.4
377.17636	3.9
378.19128	1.8
379.19403	4.9
380.20984	1.7
381.20926	1.8
389.17593	1.8
391.19360	4.5
392.20639	1.5
393.17035	3.2
393.20996	2.7
394.21744	1.4
395.18405	2.2
395.22943	1.5
398.18188	1.4
405.21194	2.1
406.17917	1.6
407.17960	4.7
407.23087	1.6
408.19424	6.3
409.20154	7.6
410.19855	1.3
419.18527	2.1
420.19922	1.9
421.19775	7.2
422.20810	4.0
423.17001	1.5
423.21933	18.3
424.23032	1.4
431.18710	1.7
432.11880	1.5
433.20303	3.1
434.21078	2.2
435.22058	7.7
436.23172	5.0
437.24100	6.8
438.23779	1.2
440.19290	1.3
446.20966	2.9
447.21710	3.0
448.20483	1.4
449.23557	3.1
451.20676	4.6
451.25168	5.8
453.23148	2.2
454.19897	3.5
461.23541	8.5
462.21075	1.9
463.20895	1.2
464.22052	3.9
465.23410	7.3
466.24310	1.1
467.20093	1.3
468.21521	1.7
478.24261	1.4
479.24149	10.4
480.25601	4.5
481.22070	13.7
482.23306	5.7
492.21539	1.1
494.23242	12.8
495.23489	6.1
496.24701	10.7
497.25653	10.0
502.23462	1.7
507.24420	5.2
508.24738	2.2
509.21725	6.4
510.22241	1.3
511.26901	3.7
512.27167	3.1
523.23389	18.7
524.24158	9.1
535.23383	3.0
537.21155	1.3
539.26984	15.1
540.26453	1.5
541.24463	4.2
549.25024	1.2
551.22650	5.5
552.23480	2.1
556.26727	5.3
557.26953	1.0
567.26044	19.5
568.25006	2.0
569.23962	6.3
571.29016	2.6
581.27539	3.5
582.26160	2.1
583.25598	52.2
584.26306	7.3
593.24139	1.1
599.28680	71.2
600.28845	1.8
611.25043	100.0
612.24939	3.3
625.44623	4.4
643.27417	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	643.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
55.01867	1.2
55.05516	4.3
57.03423	1.8
63.99929	0.5
65.03925	0.9
67.05511	9.2
69.07077	3.1
70.68732	1.3
71.04993	0.6
79.05073	0.6
79.05498	6.8
81.02260	0.5
81.03397	0.8
81.07061	9.4
81.66071	0.5
83.04982	1.8
83.08615	2.2
83.15378	0.6
85.06525	0.6
91.05498	6.6
93.07049	8.4
94.07380	0.7
95.04984	2.4
95.08610	6.9
97.06534	2.1
97.10162	1.9
98.10536	0.6
99.08092	1.6
105.07037	4.4
106.07342	0.8
107.04970	1.1
107.08611	4.0
108.08938	0.7
109.06496	1.7
109.10149	3.3
111.08074	0.7
114.62300	0.5
115.41776	0.5
116.15572	0.4
117.07063	2.3
119.08588	4.9
121.06550	0.9
121.10146	2.9
123.08069	1.7
123.11705	0.8
125.09634	1.5
127.07540	0.7
128.06204	0.5
129.07008	1.7
131.08580	3.2
133.06509	0.6
133.10165	2.7
135.08057	1.1
135.11700	1.8
137.09604	0.7
138.76677	0.5
143.08559	1.5
145.10121	3.2
147.08038	0.7
147.11703	2.2
149.09590	0.8
149.13303	0.6
151.11211	0.9
155.08495	0.8
157.10086	1.5
159.08139	0.5
159.11693	2.2
161.09612	0.7
161.13234	1.3
169.10146	1.4
171.11659	1.4
173.13283	0.7
175.11234	0.6
175.14886	0.5
183.11658	0.9
185.09525	0.5
185.13268	1.0
187.14896	0.7
189.11273	1.1
191.14246	0.6
195.11818	0.6
199.14890	1.1
201.12875	0.5
209.13271	0.6
227.12730	0.7
243.44881	0.6
247.47656	0.5
259.20654	1.1
269.17804	0.5
273.18494	2.3
275.20020	0.7
291.19598	2.3
292.20062	0.8
329.71332	0.5
335.25839	2.0
347.22031	0.5
355.09964	0.5
365.23267	1.0
396.12418	0.8
397.12988	2.4
398.14038	0.6
410.13580	3.1
411.14459	6.2
412.15530	3.4
413.15790	2.5
423.14447	1.9
424.10709	1.1
424.16330	2.4
425.11642	0.8
425.16312	10.9
426.16965	7.7
427.17569	1.2
428.18622	2.0
437.16132	0.9
438.12201	2.9
438.18030	1.0
439.13727	14.1
440.19153	4.4
441.19348	36.3
442.19601	2.7
451.13223	0.6
451.18106	0.5
452.14261	4.1
453.15326	17.7
454.16064	6.4
457.15411	0.7
463.13928	0.9
466.16501	1.0
467.17212	24.7
468.17932	14.4
469.18826	13.2
470.19467	1.1
471.16443	0.7
481.14789	13.8
481.25562	0.6
482.14957	3.0
485.18289	1.0
494.17429	0.7
495.15973	4.7
496.17078	21.9
497.17850	2.7
499.19748	1.4
505.35162	0.6
508.17731	0.6
509.18387	2.2
512.20703	1.6
513.20538	0.7
514.22046	2.2
522.16901	0.5
523.19910	1.6
527.23773	2.5
528.24292	0.5
537.19598	1.1
540.20111	0.8
542.21564	1.2
545.38007	0.8
551.19440	0.7
555.22479	29.8
556.22729	1.9
568.19354	0.7
583.21942	100.0
584.22192	6.6
586.20654	0.7
587.25171	1.9
607.43530	1.2
611.21271	1.9
614.23822	0.6
615.24542	11.8
616.25153	0.5
625.44861	2.8
643.23853	69.5
643.45947	3.4
644.23987	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	642.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00293	1.3
55.05522	5.9
57.06795	1.8
57.07081	34.7
67.05510	5.0
69.07071	5.0
71.08640	29.0
71.51542	1.7
73.06570	8.4
79.05500	2.3
81.07065	4.1
83.08626	6.5
85.10192	17.4
87.04474	5.2
89.06041	100.0
91.05460	2.3
91.07581	1.9
93.07059	2.9
95.04993	1.3
95.08613	3.0
97.10173	6.1
99.11743	3.8
105.07056	1.5
107.07076	2.3
107.08575	1.6
109.10178	1.5
111.11716	3.2
113.13284	2.6
117.09146	6.6
125.13245	1.8
127.14931	1.5
130.08594	2.1
131.07039	2.0
131.08603	1.5
133.08615	55.9
161.11725	1.3
175.09621	1.9
177.11244	24.3
191.84747	1.1
211.24132	2.0
221.13896	4.0
255.27005	1.7
283.17572	2.4
299.29504	4.3
335.26047	1.4
343.32141	4.0
415.25342	2.9
625.48590	4.5
643.25012	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	642.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01851	2.3
55.05518	13.3
57.03424	6.1
57.07080	34.3
59.18024	1.3
67.05511	34.9
69.07067	14.4
69.29304	1.3
69.80903	7.3
71.08286	2.0
71.08640	22.4
75.05974	1.4
78.71364	1.4
79.05498	19.9
81.03407	2.1
81.06604	2.2
81.07062	38.0
83.04979	5.1
83.08619	13.6
85.06527	2.2
85.10196	10.5
91.05489	16.6
93.07052	26.2
95.04983	7.5
95.08064	2.3
95.08610	29.3
97.06527	6.3
97.10144	5.8
99.08064	5.1
105.07038	8.4
106.33336	1.5
107.08601	12.2
109.06510	2.6
109.10172	14.9
111.08065	2.4
117.07009	4.6
119.08595	6.6
121.10135	5.6
123.11719	4.0
124.05099	1.2
131.08591	3.0
133.10104	4.0
134.17984	1.4
135.11703	5.2
139.11203	3.2
147.11676	4.3
149.13246	7.9
151.11154	5.0
157.10179	1.7
159.11736	6.5
161.13254	3.0
163.11182	3.4
165.12746	1.6
177.12746	1.7
179.14267	1.9
195.13817	5.4
227.12827	2.4
229.14386	1.5
239.23729	3.9
241.19540	1.8
259.20468	3.1
269.17560	6.6
277.21576	12.4
313.27368	39.6
313.77609	1.4
341.86667	1.5
351.25281	9.3
411.34268	1.6
467.37549	10.3
507.40466	100.0
508.40744	2.3
589.48248	15.6
642.51318	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	641.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.1
55.01878	12.9
55.05518	56.0
57.03228	1.6
57.03452	15.9
57.07067	5.0
59.04993	2.1
65.03941	5.6
67.05511	100.0
69.03434	11.2
69.06731	3.1
69.07075	43.5
71.04993	6.4
71.08636	3.9
71.12421	3.2
73.06562	1.8
73.26237	1.7
77.03899	2.4
79.05500	89.1
81.03451	9.7
81.07062	92.6
83.04985	8.8
83.08629	26.6
85.02920	2.1
85.06538	3.7
89.06018	2.5
91.05487	78.7
93.07052	82.6
95.04980	18.5
95.08614	61.0
97.02898	5.3
97.06549	13.6
97.10180	32.6
99.04501	2.5
99.08104	5.3
103.05469	3.2
105.04548	3.8
105.07040	66.7
107.04967	15.4
107.08604	54.8
109.06517	22.1
109.10166	27.0
111.08102	10.9
113.06017	2.1
115.05486	4.9
117.07024	38.1
119.04951	3.0
119.08593	60.3
121.06546	9.3
121.10164	25.0
123.08072	6.9
123.11702	9.8
125.09631	28.4
127.11253	2.1
128.06219	6.2
129.07027	22.3
131.08577	39.1
133.06506	5.0
133.08630	2.0
133.10135	40.9
135.04411	2.2
135.08093	16.2
135.11691	18.8
137.09641	7.1
139.07454	2.0
139.11134	1.9
140.32213	1.9
141.07007	10.0
142.07811	5.7
143.08582	24.1
145.06540	6.1
145.10144	36.1
147.08069	11.2
147.11697	32.0
149.09679	8.3
149.13300	9.9
151.07573	3.4
151.11194	3.4
153.06995	2.8
153.09142	5.1
155.08574	13.9
156.09357	2.2
157.10130	17.7
159.08078	8.6
159.11722	25.3
161.09628	6.8
161.13264	18.7
163.07524	2.4
163.11205	4.8
163.14839	3.8
165.07112	2.7
165.09103	2.0
166.07851	1.9
167.08585	8.4
168.09361	2.5
169.10156	14.9
170.10893	2.0
171.11690	17.9
173.09702	4.6
173.11856	3.5
173.13240	13.1
175.11253	3.1
175.14847	10.8
177.12779	5.6
179.08511	2.8
179.10628	1.8
181.10123	7.8
181.12321	2.8
181.57655	2.2
183.11703	16.6
185.09657	2.4
185.13255	11.1
187.11237	4.3
187.13303	2.7
187.14847	7.5
189.11263	16.1
189.12791	3.2
191.14281	2.7
193.10223	3.5
195.11711	9.6
195.13562	2.8
197.09491	2.2
197.13312	11.5
198.13939	2.0
199.11217	3.2
199.14832	8.8
201.12723	1.9
201.16435	4.2
205.10176	2.1
205.12178	3.7
207.11745	3.9
209.13277	6.3
211.11241	2.2
211.14868	9.3
213.12825	2.2
213.16451	4.8
215.17995	3.0
217.15724	2.5
219.11650	2.4
219.17310	2.6
221.13277	5.0
223.13116	11.6
223.14952	5.1
225.16412	3.8
227.12788	18.7
227.18051	3.3
231.21194	2.3
233.15445	3.8
235.16960	3.8
237.16472	4.1
239.17999	3.5
241.15993	2.2
241.19553	19.6
243.17598	2.6
245.13707	1.8
253.15886	2.7
257.19012	3.8
259.20596	30.8
261.18607	4.1
261.22098	3.3
271.16910	9.9
271.20218	1.9
273.18509	9.0
275.20251	9.9
277.21942	2.3
285.22076	3.9
289.18002	27.6
291.19553	69.8
295.20526	3.0
307.19067	2.6
315.23135	4.8
327.23138	3.0
333.24271	28.1
335.26120	8.3
363.21622	5.2
363.26801	2.9
365.23218	19.5
379.29968	7.9
381.23138	1.9
381.27884	4.3
407.22266	3.4
433.24179	2.5
473.23233	2.0
475.21487	2.6
477.22845	5.0
487.24902	2.3
490.24271	1.9
508.24652	3.0
511.34140	5.3
513.36383	3.5
525.35547	4.1
529.35101	5.1
531.38385	6.7
543.36749	5.3
547.26678	5.7
549.24664	3.8
549.38971	6.9
550.25739	7.0
567.40063	4.1
579.29675	4.6
581.24194	2.5
591.26379	3.2
595.43115	2.8
605.27216	8.1
605.42188	12.8
623.28284	20.9
623.42877	72.2
624.28918	2.3
624.43341	3.7
641.26392	21.2
641.44110	46.0
642.26294	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	641.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.01868	9.2
55.05513	18.0
57.03438	3.8
65.03936	4.6
67.05185	4.3
67.05509	35.6
69.07072	13.9
71.04977	3.9
79.05497	28.1
81.03378	3.5
81.07058	39.9
83.04967	7.9
83.08616	8.4
91.05480	26.2
93.07043	27.4
95.08614	24.0
97.06516	7.6
97.10164	7.8
104.64654	2.7
105.07044	30.1
107.04961	9.2
107.08603	19.8
109.06557	7.4
109.10145	12.6
115.05460	3.0
117.07007	7.7
119.08604	18.5
121.06522	4.3
121.10130	10.2
123.11714	5.4
125.09679	4.1
128.06206	5.2
129.07008	8.8
131.08553	15.8
133.10159	16.1
135.07950	4.8
135.11635	6.5
143.08556	8.5
145.06363	2.7
145.10143	15.7
147.11642	11.9
149.09619	7.6
149.13234	3.4
155.08557	4.7
157.10081	6.3
159.11700	9.9
161.09636	2.6
161.13168	3.2
163.11137	3.4
169.10117	8.0
171.11685	4.1
173.13249	4.0
177.12752	3.5
177.45906	2.4
181.10095	3.8
183.11629	3.5
185.13249	3.1
197.13298	3.7
221.10625	3.5
222.11514	3.4
223.12308	11.2
224.13249	3.7
225.13835	4.5
229.19496	4.2
235.12411	3.7
236.12956	3.6
237.13853	10.0
238.14610	10.9
249.10136	3.1
251.15413	10.0
257.18820	5.1
261.13971	4.1
264.12479	4.5
275.20071	32.3
281.09164	3.9
309.12219	5.4
313.21872	3.3
327.09521	3.0
349.23758	9.5
352.18268	5.5
353.18802	5.7
372.16812	3.3
376.17908	2.9
386.18527	6.5
396.16974	7.9
402.18134	4.1
412.20215	11.1
430.21463	30.0
446.17618	3.4
463.21521	3.8
469.20087	4.2
478.23871	4.2
491.20578	5.9
503.20764	4.5
519.23615	4.3
521.21857	4.8
537.25372	19.6
547.23706	6.3
548.22205	3.1
548.31122	3.1
549.20667	3.6
550.22125	8.2
551.26495	4.7
553.27887	5.7
565.24500	68.8
565.33093	2.8
579.25909	6.6
580.23645	5.9
581.23810	6.5
591.22363	10.2
595.24988	7.4
597.17975	5.0
597.26965	58.5
609.23163	10.1
623.25031	100.0
623.42706	12.7
624.24628	3.8
641.25989	26.2
641.43762	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	641.2972
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.01865	0.9
55.05504	1.8
57.03424	0.9
59.03935	0.5
59.12620	0.4
65.03973	0.5
67.05514	4.2
69.07066	2.0
71.00369	1.0
79.05495	3.2
81.03438	0.8
81.07069	4.4
83.08620	0.5
90.44871	0.5
91.05497	3.2
93.07059	2.9
95.04987	0.7
95.08636	2.4
97.06562	0.9
97.94456	0.5
105.07031	3.3
107.04930	0.8
107.08577	2.7
109.06550	1.0
109.10162	1.2
116.23856	0.5
117.07028	1.1
119.08604	2.3
121.10179	0.9
123.11681	0.5
128.06241	0.5
129.06995	0.7
131.08578	1.3
133.10130	1.6
135.08069	1.1
135.11722	0.8
143.08607	0.9
145.10164	1.8
147.11728	1.2
149.09647	1.3
157.10117	0.6
159.11688	1.1
163.11179	0.5
163.50429	0.4
171.11700	0.5
183.11684	0.5
209.13373	0.5
227.12903	0.8
232.57332	0.4
237.06721	0.4
257.19107	0.8
257.27487	0.4
267.46130	0.5
275.20041	3.8
277.21490	0.5
342.11530	0.5
349.23709	1.3
377.17859	0.7
379.19217	0.7
391.19254	1.5
392.20197	0.9
393.20917	2.0
405.17230	2.1
406.17911	1.7
407.19049	0.7
407.22495	4.1
418.17728	1.0
419.18356	2.6
420.19598	2.0
421.20380	5.3
423.21936	1.6
433.20554	4.6
434.21219	3.2
435.21918	9.0
436.22552	1.5
447.22018	1.2
449.19601	8.9
463.21173	3.1
464.22171	1.6
465.18787	0.6
467.24606	0.6
475.21976	0.5
476.22302	0.6
477.22894	1.4
479.20538	0.7
480.21643	0.7
481.22568	2.0
491.24942	0.6
493.21780	2.6
494.23087	3.9
495.23969	3.5
507.24051	1.7
508.24960	0.6
521.25916	10.3
522.26050	1.0
523.27118	0.8
534.31683	0.5
535.23663	0.9
539.23065	1.0
549.25171	0.8
553.24536	1.0
563.26086	0.7
565.25464	0.6
581.27747	19.5
582.28253	1.1
609.26282	0.7
623.25696	0.8
623.43420	1.1
630.46075	0.5
641.29755	100.0
642.29993	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01868	3.5
55.05513	9.5
57.03445	6.1
58.49601	1.3
67.05170	2.0
67.05505	20.0
69.07074	8.4
69.31156	8.9
69.31567	2.1
71.04978	2.5
74.17935	1.1
79.05493	20.2
81.03403	2.1
81.07055	22.2
83.04977	4.6
83.08614	4.1
91.05487	18.2
93.07043	17.4
94.72277	1.2
95.04939	4.9
95.08616	12.0
97.06519	4.7
97.10142	3.8
98.98438	1.3
99.08069	1.6
105.07038	15.0
107.04937	4.3
107.08604	9.7
109.06519	3.8
109.10155	5.9
111.08047	1.5
115.05448	1.8
117.07024	7.0
119.08575	12.4
121.06494	2.3
121.10174	7.9
123.08068	2.4
123.11657	1.4
125.09618	4.5
129.06964	3.4
131.08588	7.7
133.06493	2.1
133.10114	9.3
135.07994	3.0
135.11694	4.6
143.08563	4.1
145.10129	8.5
147.07983	1.7
147.11687	5.8
149.09702	1.9
155.08533	1.5
157.10109	2.8
159.07985	3.2
159.11722	4.8
160.03827	1.4
161.09575	2.4
161.13155	3.1
163.07515	1.3
163.11189	1.7
169.10124	2.6
171.11758	2.9
173.09625	2.3
173.13210	2.1
183.11711	2.5
185.10744	1.8
188.03499	1.5
197.10693	2.2
197.13243	2.2
199.14723	1.6
210.11522	1.7
212.13094	1.7
219.17426	2.7
223.12239	2.4
224.13170	2.6
225.13889	3.0
226.14656	1.6
227.11870	1.3
227.12985	1.3
233.15268	1.5
237.13875	2.0
238.14555	2.0
239.11676	2.2
239.15414	3.4
249.13982	1.7
251.15651	1.7
259.20709	2.1
261.18494	1.6
271.16986	2.7
275.19983	6.7
289.18265	8.0
290.16541	2.3
291.19482	4.3
292.18073	1.8
304.14520	1.9
304.18018	1.6
307.10675	1.9
307.18991	2.0
313.15741	2.9
318.15869	2.6
319.16913	1.9
321.12314	1.5
330.15869	1.8
335.25839	3.7
335.95474	1.6
342.43460	1.3
344.17368	1.6
346.05267	1.6
346.19107	2.2
349.23688	3.8
375.19333	2.0
378.18326	1.9
379.18942	1.7
384.17120	3.5
387.19510	1.5
392.19742	3.3
393.20807	1.9
403.19232	3.2
405.20953	2.8
406.21301	6.0
407.22156	6.9
408.22961	3.3
412.16360	4.0
414.14594	1.9
416.19870	2.0
418.21320	2.4
419.22281	3.1
420.22455	4.5
421.23926	10.1
422.24414	12.8
433.16528	2.0
433.23740	3.8
434.24393	10.8
435.21936	1.8
444.19003	6.0
445.23782	2.2
459.21671	3.6
460.23016	1.4
462.19904	2.9
463.21280	12.7
473.23483	1.8
475.21207	6.2
476.20923	3.0
477.23282	6.5
487.24792	2.5
489.22772	5.1
490.22482	2.0
491.24432	4.3
494.26578	4.0
495.27771	1.8
506.26068	2.0
508.21875	2.3
518.23230	2.3
519.27863	2.1
534.22589	2.4
543.36652	3.8
545.25641	10.3
547.27234	10.1
549.25055	18.8
550.25916	7.1
559.22504	1.9
561.21387	2.0
563.26459	8.0
565.27380	1.9
576.23450	2.5
577.25171	1.5
579.29333	3.7
591.26093	61.8
592.26355	3.0
594.24231	1.7
605.27539	9.4
609.27026	21.4
623.28668	100.0
623.43060	7.3
624.28656	3.5
641.30383	12.1
641.43628	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	641.2608
Annotation	Swietephragmin G
Peak:m/z	Relative Intensity
50.90989	1.1
55.05509	1.9
67.05505	2.7
78.18539	1.0
79.05484	3.1
81.07050	3.4
83.04982	1.1
86.57542	1.1
91.05463	2.2
93.07056	3.0
95.04993	1.1
95.08599	2.2
99.83461	1.0
105.07011	2.6
107.08577	1.8
109.10183	1.7
119.08636	2.6
121.10196	1.0
122.09711	1.7
129.06990	1.2
131.08582	1.8
133.10153	1.3
138.60393	1.3
145.10132	1.4
145.96405	1.0
148.07687	1.4
157.10127	1.5
171.11746	1.1
197.10837	1.9
199.08687	1.1
208.09966	2.5
209.10818	4.5
210.11494	2.2
211.08604	1.1
211.12404	1.5
219.17535	2.2
221.10779	4.6
222.11499	1.8
223.12274	10.6
224.13055	3.1
225.13893	4.1
233.10762	1.2
235.12370	6.7
236.13083	4.4
237.10345	1.4
237.13899	11.1
238.14635	12.6
239.15448	3.7
247.12434	1.4
248.09586	1.2
248.13066	1.5
249.10214	2.4
249.13948	5.3
250.10980	2.0
250.14731	2.8
251.15421	7.8
252.16260	2.5
253.09906	1.2
261.14008	4.5
262.14648	1.6
263.11719	1.6
264.12677	2.9
265.13342	2.4
267.07605	1.4
275.20108	1.4
277.13391	2.2
281.13126	1.3
283.14444	3.3
298.13647	1.1
299.14362	2.1
300.15009	1.8
301.15842	1.9
311.11090	1.1
312.15018	1.9
313.15952	1.9
314.16492	2.2
316.18152	3.1
324.14969	2.2
326.13025	1.5
326.16510	2.5
327.17432	1.4
328.10550	1.2
328.14413	1.7
328.18106	3.9
329.18951	1.7
330.19812	1.4
338.12808	1.5
338.16626	2.9
340.18417	1.9
342.16061	2.3
342.19775	2.9
352.18158	4.2
353.19012	3.2
356.17630	3.0
357.14505	1.2
360.33389	1.1
362.15836	1.2
370.19409	1.9
371.20270	2.0
372.16980	2.7
384.17157	1.8
386.18280	7.4
386.22574	3.5
387.19553	2.1
388.20294	3.1
391.19925	1.2
396.17178	8.9
397.17780	1.7
400.20612	2.0
404.23331	4.1
405.16995	1.8
405.21591	1.7
407.18353	1.2
410.18631	1.4
412.20438	11.2
414.18341	5.9
415.19119	2.3
417.21292	1.3
418.18683	1.4
419.18866	1.5
421.20410	1.8
430.15436	2.2
430.21326	38.8
432.20450	1.6
433.20398	1.4
434.21472	1.5
435.22260	2.1
444.20630	1.4
445.16205	1.3
446.18158	1.6
447.17813	2.0
448.18665	2.8
460.20193	2.6
461.20096	2.4
462.21387	1.9
463.22098	2.8
470.18518	1.7
474.17120	1.6
475.17520	1.7
476.17780	1.8
477.23221	3.2
478.23593	3.7
486.20358	1.2
487.21246	1.7
489.19257	2.6
490.19763	1.7
491.20505	7.1
492.24963	3.6
493.22336	1.7
503.20853	4.3
504.22119	3.4
505.22617	2.9
506.23602	2.2
507.20328	1.9
519.23779	4.5
520.21069	1.6
521.21204	7.0
522.22675	2.6
531.20349	2.6
532.20428	1.9
535.22699	1.2
537.25439	13.0
538.25635	1.9
547.23334	3.9
548.21509	3.7
549.21619	4.2
550.22168	9.9
551.26538	5.3
552.23596	1.4
553.27698	2.1
563.22833	3.5
565.24487	45.7
566.24854	2.0
577.24493	1.7
579.26465	7.2
580.23273	12.2
581.23816	4.2
591.22351	7.2
595.25208	7.0
597.27081	61.7
598.27380	2.8
605.23969	2.7
609.23517	9.5
623.24988	76.8
624.25397	3.4
641.26086	100.0
642.26428	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	641.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03334	2.4
53.03936	3.0
55.05501	10.2
57.03427	5.4
57.07066	2.6
57.72462	2.1
64.38506	2.3
67.05507	17.7
69.07062	6.7
71.09190	2.4
71.51129	2.9
75.34522	2.3
79.05500	14.7
81.03413	5.3
81.07066	18.6
83.04975	5.7
83.08604	3.5
91.05465	12.6
93.07030	18.8
95.04974	5.7
95.08604	13.0
97.10140	4.1
105.07001	6.3
107.08581	9.4
109.06521	4.3
109.10150	7.0
117.07002	8.0
119.08566	11.4
121.10124	7.4
124.75735	2.7
129.06973	3.8
131.08577	5.3
133.10133	4.2
135.11688	2.8
143.08545	3.3
145.10143	4.9
147.11659	3.3
157.10185	3.1
159.07979	2.5
159.11609	2.7
163.11169	4.0
169.10010	2.4
173.09586	5.3
271.17072	4.5
273.13742	3.1
289.17917	12.1
335.25732	9.4
350.16473	3.1
371.04877	2.8
374.15662	2.8
375.16190	4.7
377.17615	2.8
379.19174	3.0
387.16183	3.2
389.17532	5.1
391.19296	7.3
398.09689	2.6
403.19406	4.2
405.16830	4.6
407.18347	4.8
415.15491	3.4
417.16638	5.0
419.18362	4.5
420.19421	7.7
421.20395	6.5
431.18307	4.0
433.20139	11.8
434.20758	4.8
435.16492	3.1
435.21924	39.6
436.22656	15.4
449.23752	26.4
450.23874	4.5
451.21295	6.1
462.19928	3.7
463.21478	12.5
465.18713	4.3
468.21353	3.3
476.21713	3.5
477.23276	12.6
478.23477	4.5
479.20395	13.1
480.21481	3.6
493.21957	3.5
494.23242	16.7
495.23956	70.1
497.21814	3.9
505.22150	6.9
509.25595	16.5
510.26337	4.8
511.23447	3.0
522.22247	3.7
537.24902	16.1
543.36694	4.5
553.24365	5.9
554.25317	51.6
565.24255	9.3
581.23950	100.0
582.24054	5.7
597.27167	37.7
609.23401	50.2
623.42273	8.5
641.26117	59.9
641.43341	8.7
642.26428	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	641.2608
Annotation	Swietephragmin G
Peak:m/z	Relative Intensity
50.94267	1.5
55.01855	2.1
55.05500	4.0
57.03413	3.7
67.05513	9.1
69.03410	2.1
69.07034	3.3
69.16033	12.4
69.16451	5.1
70.05255	1.5
79.05491	8.0
81.07023	6.5
83.08591	2.2
85.06525	1.9
91.05463	7.9
93.07044	7.6
95.04936	4.7
95.08592	6.9
97.34972	1.7
98.21526	3.8
105.06993	7.4
105.89191	1.5
107.05001	1.8
107.08562	4.8
109.06528	4.1
109.10147	2.3
113.06026	8.3
117.07003	2.7
119.08539	5.6
129.07011	2.6
131.08583	3.6
133.10129	4.3
135.08028	2.3
135.11642	2.0
143.08556	2.0
145.10089	4.1
147.11668	2.5
149.13184	2.2
155.08517	2.2
157.10075	1.8
159.11638	4.4
177.12785	2.1
183.11726	2.3
184.54799	1.6
185.13220	1.8
197.10602	2.7
199.14763	1.6
208.09891	2.6
209.10744	5.5
210.11375	2.1
211.12392	2.4
219.17310	2.2
221.10641	6.9
222.11505	3.5
223.08681	2.0
223.12311	11.9
224.13020	4.2
225.13760	3.8
233.10777	2.5
234.11443	2.2
235.12262	8.0
236.13083	7.7
237.10188	2.4
237.13921	15.2
238.14592	16.4
239.15402	5.6
247.12482	2.7
249.10130	3.9
249.13789	6.6
250.14572	2.2
251.15414	12.0
252.16234	2.3
261.13791	7.8
262.14749	2.9
263.08130	1.7
263.11603	3.9
264.12531	6.1
265.13162	2.1
269.12732	3.4
275.19983	5.0
276.23468	1.7
277.13248	2.5
279.14883	1.7
285.12445	1.8
287.14371	1.9
291.19507	2.1
299.14297	2.3
300.15076	2.2
301.15811	1.9
312.15079	1.9
313.15585	2.6
314.16281	3.8
316.18021	5.3
324.14905	4.0
328.18048	6.6
330.19498	2.4
337.15631	2.9
338.16415	5.6
339.09689	4.4
340.14362	1.9
340.18073	4.2
341.15082	2.7
342.16046	5.0
342.19574	3.9
343.20328	3.1
344.21030	2.2
352.17896	7.1
353.18738	5.3
354.15872	2.2
356.13507	2.4
356.17456	3.9
358.19016	3.2
367.09213	2.3
370.19083	3.4
371.15796	2.1
371.19815	6.8
372.16870	6.2
384.16983	2.1
385.10129	3.4
386.18103	8.0
386.22885	8.7
387.19150	6.5
388.20020	3.4
389.21082	4.1
391.20044	1.9
394.18961	2.2
396.17004	17.0
397.17804	3.4
398.18359	2.8
399.19751	1.7
401.17136	2.0
402.22052	2.4
404.23529	10.7
412.20297	20.6
413.20731	1.8
414.18378	9.1
415.18823	6.0
419.18500	3.7
430.21335	92.9
433.20563	3.6
434.21039	2.2
435.21640	4.0
436.19885	1.9
447.18127	4.4
449.19446	2.3
460.19653	2.4
461.19345	7.0
462.20007	5.7
463.21286	4.2
464.22424	2.0
476.22263	2.5
477.23566	8.5
478.23483	5.4
479.20270	2.1
481.21823	2.3
485.19595	2.0
488.19223	2.2
489.19321	5.6
490.19791	4.7
491.20648	8.1
494.22818	3.0
503.20682	5.9
504.20959	3.1
505.22171	3.7
506.22260	2.1
517.18848	1.9
519.24127	3.5
521.21722	10.9
524.24115	2.2
529.22845	2.2
533.18164	1.9
536.23724	2.2
537.25708	13.0
545.21613	2.8
547.23187	3.8
548.21381	4.7
549.21118	5.4
550.21771	6.3
551.26123	5.4
553.24707	2.2
563.22620	5.8
565.24487	37.2
573.20422	2.1
577.23907	2.1
579.25824	10.0
580.23163	12.5
581.23340	8.9
591.22601	23.5
595.25415	10.8
597.27057	17.7
605.23999	3.0
609.23505	58.0
623.24988	67.7
623.41693	4.2
641.26086	100.0
641.43707	3.9
642.26172	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	641.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28380	1.0
53.03947	2.0
55.01866	3.0
55.05520	9.4
57.03426	4.5
67.05514	20.8
67.35412	1.1
69.07078	6.8
71.04972	2.0
71.50774	1.2
71.51146	1.7
78.78925	1.1
79.05501	18.1
81.03429	2.5
81.07064	20.8
82.07391	1.1
82.72994	1.1
83.04992	3.1
83.08635	4.5
85.06525	2.5
91.05499	17.7
93.07049	19.7
95.04977	7.1
95.08620	13.7
97.06549	4.8
97.10193	4.7
101.75173	1.0
105.07042	16.8
107.04964	3.7
107.08600	9.3
109.06522	4.4
109.10156	8.8
111.08090	2.1
113.06028	2.0
117.07052	7.2
119.08604	9.1
121.06544	4.4
121.10120	6.5
123.04391	1.4
123.08102	2.1
123.11692	1.3
125.09634	2.0
129.07021	3.7
131.04909	1.3
131.08583	9.5
133.06444	1.9
133.10117	8.5
135.08067	3.6
135.11693	4.4
137.09679	1.8
137.88606	1.1
141.06975	1.9
143.08594	5.2
145.06560	1.6
145.10104	8.0
147.08179	1.7
147.11725	4.4
149.09616	3.3
149.13287	1.3
155.08554	1.8
157.10153	3.2
159.08092	3.2
159.11662	5.6
161.09581	2.5
161.13263	2.5
163.11302	1.5
169.10182	2.8
171.11743	4.0
173.09674	2.2
173.13246	2.8
175.14902	1.7
183.11758	1.4
185.13303	2.4
187.11214	1.4
189.11252	1.4
189.75795	1.2
201.84514	1.2
205.16003	1.2
210.11273	1.3
213.16501	1.5
219.17529	2.6
224.13124	1.3
233.15460	1.3
234.11678	1.2
237.14032	1.4
239.15504	1.8
255.21190	2.6
259.20779	2.1
261.18503	1.5
271.16904	2.3
273.18558	2.1
275.20215	5.1
289.18069	10.0
291.19492	2.9
335.25943	4.9
349.23865	2.1
363.21719	2.7
389.18231	1.3
403.19376	2.2
404.20203	1.8
405.21057	2.8
406.17993	1.7
421.20529	2.2
432.23227	1.3
433.16470	2.6
433.24066	3.3
434.17621	3.7
435.22324	1.8
445.19791	1.3
447.17816	2.0
448.19247	3.6
449.19891	5.1
460.22296	1.5
461.19794	4.8
462.20718	2.0
463.21426	27.7
464.22202	2.2
475.21191	1.3
476.21954	3.9
477.18515	10.7
479.24960	2.7
487.20981	1.9
489.19150	2.1
491.20972	5.0
492.25723	10.0
493.18701	2.2
501.23053	5.6
503.21066	1.4
504.21729	2.1
507.20276	1.8
509.25137	1.6
519.23907	4.9
521.22498	7.1
522.22546	4.9
524.37280	1.3
536.24219	18.6
537.25006	4.5
547.23053	2.0
551.26508	36.2
552.27057	2.8
563.23108	5.6
564.23346	6.8
565.24670	3.0
568.23431	1.8
569.27332	2.2
579.26294	5.2
580.24078	1.6
595.25531	68.4
596.26111	2.0
609.25317	4.2
623.25287	14.4
623.42896	7.9
641.26154	100.0
641.42590	14.5
642.26331	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	641.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24025	0.6
51.45311	0.7
55.01843	1.4
55.05464	2.2
57.03401	1.6
59.53746	0.7
67.05504	4.4
69.07043	1.6
69.25034	6.8
79.05499	5.9
81.07049	5.2
83.04953	1.0
83.08553	1.1
91.05480	5.0
93.07058	4.7
95.04953	1.5
95.08557	2.4
97.06504	1.3
105.06297	0.7
105.06979	3.0
107.04900	1.0
107.08538	2.0
109.10106	1.6
117.07004	1.1
119.08534	3.0
121.10113	1.7
131.08513	2.4
133.10083	1.6
135.11630	1.0
137.09541	2.4
139.25063	0.7
143.08566	1.4
145.10095	1.0
147.11649	1.1
157.98730	0.7
159.07990	0.9
161.13097	0.8
161.95291	0.8
163.11206	0.9
209.10727	1.6
210.11478	1.5
219.85063	0.7
221.10625	1.9
223.12285	2.5
224.13031	1.7
225.13805	3.2
227.08167	1.1
234.11397	0.8
235.12259	1.8
236.13052	2.0
237.10129	0.9
237.13982	5.3
238.14702	3.5
239.15417	2.0
246.11407	1.1
247.12257	1.4
249.10054	0.8
249.13869	2.7
250.14439	0.8
251.15509	6.8
252.16226	1.9
253.10023	0.8
253.13322	2.9
253.16988	2.6
261.13947	7.8
262.14658	2.7
263.11768	0.7
263.15317	0.9
264.12595	1.2
265.13379	1.4
271.17035	0.8
279.14886	3.0
280.15527	1.2
289.18106	3.7
338.16437	1.0
340.18158	1.1
350.16302	1.1
352.17899	1.6
353.17834	1.5
363.16132	1.0
364.18039	1.1
365.18115	1.3
366.19009	2.2
367.19189	2.8
368.20166	1.8
375.16217	1.0
377.17587	3.2
378.15353	0.8
379.19193	2.4
380.16562	1.3
381.21252	1.8
381.45682	0.9
383.21985	1.2
391.19119	2.1
392.16452	1.3
393.21146	1.2
395.18604	3.1
397.20535	0.9
404.16409	1.0
405.17010	2.9
406.17688	1.0
407.18768	3.3
409.20282	2.4
410.21198	1.4
411.21844	1.0
412.19232	0.8
418.18680	1.1
419.18695	2.0
420.19434	1.3
421.20081	2.0
422.20825	3.1
423.18021	1.3
425.19788	1.7
427.21518	1.1
433.20837	1.0
435.18127	3.9
437.19739	3.0
438.21011	1.9
439.21225	1.1
440.22552	1.3
448.18921	2.2
449.19702	3.1
450.20801	4.4
451.21539	1.4
452.22437	1.0
455.24823	1.3
465.19318	4.1
465.23807	1.1
467.20377	1.0
468.21347	2.1
469.22479	1.3
470.23883	0.9
477.23218	0.9
478.19620	1.3
479.20987	1.6
480.21457	2.7
481.22351	0.9
483.24619	5.6
493.22061	3.2
494.22775	1.7
495.19928	0.9
496.20889	2.5
500.24335	5.6
505.22433	1.0
507.20383	1.6
508.21661	1.1
511.23737	8.6
515.26520	5.9
521.21838	2.2
522.22321	1.1
523.23291	1.3
527.23718	0.7
528.23663	2.0
537.24323	0.8
538.22308	2.2
539.22797	6.1
543.25897	3.1
549.21259	1.7
553.24475	3.2
554.24353	1.1
555.26099	1.5
556.23376	1.9
565.25134	0.9
566.23126	1.7
567.22522	6.3
571.25507	20.4
572.25836	1.0
581.23987	96.2
582.24097	3.5
599.25061	100.0
600.25177	4.1
609.23602	1.0
613.26996	1.0
623.26697	1.2
641.27100	26.8
641.44269	3.3
642.26575	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51018	0.6
67.05495	0.8
71.15646	0.6
71.43065	1.0
85.17904	0.6
91.93516	0.5
95.08602	0.7
95.63057	0.6
172.90948	0.7
190.27016	0.6
211.12396	0.6
211.76549	0.6
242.39168	0.6
277.31522	0.6
330.24097	0.6
362.15118	0.5
376.16968	0.6
377.17789	1.0
389.18698	0.9
390.18237	1.2
391.19208	3.9
392.19919	1.3
393.21729	1.0
404.20905	1.7
405.20761	10.3
406.21497	3.8
407.22223	1.0
417.21188	0.9
419.22614	3.0
420.23108	4.7
421.16309	1.2
421.24060	3.8
432.19159	0.7
433.19461	3.6
433.25018	1.1
434.24860	1.5
435.18320	1.1
436.18890	3.0
445.20135	0.9
447.21747	0.9
448.22879	0.8
449.20050	1.7
450.20596	2.1
451.21445	2.2
452.22165	3.5
460.22363	1.8
461.23834	1.0
464.22061	1.0
465.22882	39.7
466.23294	1.4
473.19745	1.7
475.25198	2.1
477.19247	0.8
477.26419	2.4
478.23691	1.7
479.24396	6.6
480.25214	4.2
487.21341	2.1
488.22052	3.2
491.21082	2.2
492.21573	3.5
493.26132	4.7
501.22916	1.2
502.24222	0.8
503.24472	24.0
504.24860	1.3
505.22665	1.6
509.26172	0.8
519.24048	1.9
521.25555	17.7
522.25079	0.8
523.23767	0.9
537.24976	7.2
547.23608	2.0
565.24493	52.9
566.25085	2.1
579.25806	1.1
580.26764	17.8
607.25537	15.3
608.25989	0.7
621.26953	2.6
639.28156	100.0
640.28552	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	28.9
57.03431	11.3
57.07078	82.1
57.98594	4.0
66.49026	4.5
66.90002	5.3
67.05505	64.8
69.07059	27.2
69.83156	9.5
69.83550	12.7
71.05016	5.3
71.08635	48.0
79.05499	39.9
81.03404	6.3
81.07062	66.3
82.07321	4.3
83.04959	9.3
83.08630	22.2
85.10175	38.7
89.06028	74.9
91.05492	33.7
93.07040	46.6
95.04947	7.1
95.08611	39.1
97.06507	11.2
97.10162	15.4
105.07043	32.3
107.08606	23.4
109.10168	23.5
111.11811	4.4
115.73326	4.2
117.07004	17.9
117.09162	6.0
119.08597	23.0
121.10123	13.3
123.11729	14.0
131.08539	18.9
133.08609	44.1
133.10092	21.5
135.08133	5.7
135.11668	11.6
137.09752	4.2
141.56799	4.3
145.10103	17.3
147.11754	6.6
149.09596	7.4
149.13234	8.9
154.18610	4.6
157.33965	4.3
159.11739	11.4
165.88051	4.5
171.11638	5.3
177.11279	21.6
185.13289	4.9
199.14821	5.7
239.17972	7.5
239.23607	7.7
255.15923	7.1
257.19012	13.1
269.17383	11.6
275.20139	33.6
313.27365	83.4
341.34088	6.5
349.23676	17.7
467.37067	5.6
493.38730	23.7
507.40512	100.0
587.46759	26.9
647.89307	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	639.2816
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
50.46440	0.3
55.05507	0.8
67.05521	2.0
67.05802	0.4
69.07059	0.9
70.07301	0.8
70.07723	1.1
79.05508	1.8
81.03465	0.4
81.07050	1.6
83.08615	0.4
84.51292	0.3
91.05486	1.4
93.07055	1.2
95.04999	0.6
95.08615	0.9
96.46818	0.4
97.10175	0.4
98.20824	0.4
105.07029	1.2
106.29002	0.4
107.04945	0.5
107.08600	0.9
109.10237	0.5
117.07040	0.4
119.08585	1.1
121.10146	0.5
129.07028	0.6
131.08571	0.6
133.10170	0.9
134.06108	0.4
143.08546	0.6
145.10098	0.7
147.11638	0.5
151.11186	0.3
159.11700	0.4
172.04022	0.4
183.09193	0.4
197.10844	0.4
198.69325	0.4
204.10394	0.6
205.10558	0.5
218.81030	0.4
219.17357	0.4
239.11819	0.7
249.10410	0.5
251.11942	0.5
287.16376	0.4
291.19473	0.8
305.17688	0.4
314.12802	0.5
328.14703	0.4
354.15915	0.5
363.16403	0.5
391.19351	0.5
393.16891	0.8
394.21896	0.4
403.15717	0.5
405.17294	1.1
406.18021	1.3
407.18637	2.3
417.16983	0.4
418.18170	0.5
419.18903	1.3
420.14999	0.8
420.19498	1.4
421.20502	6.1
422.21027	1.7
423.21539	0.6
428.16208	0.4
432.19809	0.4
433.15829	0.6
433.20709	1.2
434.17239	1.3
434.21991	0.7
435.17245	3.0
435.22989	0.8
436.22995	2.0
445.16467	0.9
447.17383	0.8
447.22137	1.5
448.18814	3.8
449.19647	9.2
450.20566	3.4
459.18021	0.6
460.19211	0.4
461.19907	1.6
462.20764	1.0
463.21707	5.5
464.22290	4.8
465.23175	0.8
474.20596	1.2
475.21695	2.2
476.22610	0.6
477.18787	6.3
478.19757	2.6
479.20892	1.5
481.22452	0.5
491.20963	1.0
492.21298	0.9
493.22296	1.3
495.24124	0.8
505.22345	0.4
507.24045	1.4
521.21997	1.6
523.22998	2.4
533.21790	1.2
535.23773	3.4
536.24347	1.7
537.22150	1.6
547.23450	0.5
549.21777	0.8
550.25995	1.3
551.26501	2.9
561.24988	4.1
563.23199	0.8
564.23846	4.3
565.24371	2.7
578.25000	0.4
579.26068	7.3
580.25751	0.5
581.23724	0.6
592.23090	0.5
595.25684	2.3
596.26221	0.7
597.27191	0.9
607.25244	0.9
610.27917	0.6
611.28693	0.6
621.27069	5.6
621.41968	0.5
624.25897	6.1
639.28143	100.0
640.28485	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40034	0.8
58.31769	0.7
71.51128	1.0
71.51521	1.2
77.65047	0.8
81.07104	1.0
85.77637	0.9
95.08620	1.1
148.90761	1.0
221.10689	1.2
238.39528	0.9
281.09738	0.9
326.16864	1.0
375.16190	1.1
386.18845	1.2
387.17001	1.0
389.17740	2.3
390.18735	2.3
391.19235	3.1
392.20206	1.0
400.20410	1.5
403.19470	2.4
404.20081	5.5
405.20776	14.8
406.21323	1.4
417.20898	2.9
418.21603	1.5
419.22311	9.3
420.23126	4.7
421.23740	1.2
429.21591	1.1
431.22882	1.2
432.23407	1.1
433.24417	5.0
434.24905	5.1
435.18271	2.5
445.20349	1.5
446.20718	1.2
447.21860	4.5
449.19647	8.7
450.20590	3.5
462.20212	1.4
463.21347	8.0
464.22177	5.9
465.22845	11.3
473.19638	1.7
475.20584	2.1
477.23117	5.2
478.08270	0.9
478.23898	5.6
479.24487	39.4
480.25101	3.2
487.21390	3.3
488.22269	1.4
491.20633	2.9
491.25403	1.2
492.25232	3.0
493.26038	27.3
501.22925	2.8
503.24426	2.0
505.22354	2.6
519.23962	2.8
522.22668	1.3
523.23352	14.1
524.24536	1.8
525.25079	0.9
537.25000	37.8
538.25800	1.2
547.23499	6.0
548.24060	1.4
549.21332	2.0
551.26581	22.7
552.27325	100.0
553.27820	3.7
564.24011	1.7
579.26050	12.6
589.24213	1.0
597.94122	0.9
607.25739	13.8
621.27032	2.4
639.28143	90.9
640.28137	5.0
658.43390	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
57.03447	0.5
57.07079	0.6
59.06116	0.8
59.75214	0.5
67.05494	1.4
68.74988	0.5
69.07059	0.9
71.50674	0.7
79.05510	0.7
81.07050	1.6
83.08596	0.6
91.05457	0.7
93.07030	1.0
95.08607	1.2
101.07163	0.7
102.66404	0.5
105.06987	0.6
107.08562	0.8
117.07043	0.4
119.08607	0.6
121.10185	0.5
131.08578	0.5
133.10185	0.7
144.09352	0.6
225.13737	0.8
240.22249	0.5
297.01752	0.5
415.19321	0.6
417.20975	1.0
429.17001	0.8
430.17654	0.7
431.18173	0.7
433.14847	0.6
443.18625	1.7
444.19461	1.1
445.20209	1.6
447.12479	0.7
449.18054	0.9
457.20459	1.0
458.20990	1.5
459.21848	11.1
460.22592	2.3
461.14697	1.6
461.23840	0.6
463.20313	0.8
471.23056	0.6
475.15842	1.3
476.16882	2.2
477.17276	2.7
478.17752	0.8
491.18948	8.8
492.19458	1.6
493.20520	2.1
505.20966	1.4
507.22299	1.5
517.22308	1.3
518.23193	1.3
519.24103	1.3
531.24304	1.0
533.25812	2.6
535.18298	0.7
537.20013	0.7
549.19507	1.2
551.21088	15.9
552.21271	0.8
564.21869	1.6
565.23035	1.5
579.24304	10.5
592.27191	0.7
602.19592	0.6
607.24762	0.7
609.21411	2.8
639.26392	100.0
640.26563	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	639.2818
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
79.00322	0.5
79.05489	0.7
81.07085	0.7
84.38313	0.5
87.82353	0.5
95.08629	0.5
102.00035	0.5
130.74890	0.5
197.10855	0.6
209.10764	0.7
217.00040	0.6
235.12253	0.5
239.15575	0.5
298.13565	0.7
340.18509	0.6
363.16074	0.6
375.16312	1.0
376.17148	1.3
377.17828	2.1
378.18726	1.9
387.16501	0.5
389.17905	1.4
390.18616	2.1
391.19208	7.4
392.19934	4.5
393.21219	1.4
403.19440	1.8
404.20187	2.5
405.20789	9.6
406.21490	6.1
407.22345	14.3
407.27463	1.0
416.20264	0.7
417.21234	1.2
418.21768	1.4
419.22574	4.7
420.23093	6.2
421.17514	1.0
421.23907	20.1
422.19025	0.8
422.24661	4.2
431.23071	0.9
432.18936	0.7
433.24512	4.5
434.24490	2.3
435.18292	3.1
435.25494	1.1
436.19009	1.7
437.19553	0.7
445.20340	1.5
446.20905	0.9
447.21039	1.0
447.26257	1.2
448.26575	1.0
449.19916	1.7
449.27835	0.7
450.20670	2.1
451.21228	15.2
452.21933	5.2
460.22708	2.0
461.23758	0.9
463.21500	2.2
464.22318	1.6
465.22931	20.8
466.23572	2.4
473.19827	1.5
475.21307	0.9
475.25137	1.9
476.26501	0.6
477.22952	2.2
478.23511	1.9
479.24481	1.9
487.21686	2.4
488.22055	2.4
489.22870	0.6
491.20157	2.7
492.21381	1.4
492.25150	0.7
493.26138	2.5
501.22980	1.8
502.23288	1.4
503.24472	15.5
504.25021	1.6
505.22018	1.0
507.27698	12.2
508.28284	3.2
519.24133	1.3
523.23291	4.8
533.25568	1.7
535.27148	17.9
536.27393	1.6
537.25024	11.6
551.26703	6.9
552.27356	22.5
561.25061	5.3
562.25024	0.9
563.26202	0.9
579.26074	11.3
580.27051	3.3
593.27777	2.0
595.29254	6.5
596.91876	0.6
621.27136	21.4
639.28180	100.0
640.28333	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1924
Annotation	3,4'-Dihydroxy-7,3',5'-trimethoxyflavone 3-galactosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
60.22957	0.2
61.59601	0.3
68.84044	0.3
69.33253	1.5
69.33673	0.7
81.52042	0.2
98.20760	0.5
107.04926	0.3
111.48293	0.3
123.04409	0.4
153.01823	1.0
163.03899	0.6
167.07082	0.6
178.02701	0.5
178.06264	2.6
179.03429	0.6
216.04221	0.7
217.04909	0.5
227.03444	0.3
231.06558	0.5
241.04906	0.4
243.06638	0.4
244.03778	0.7
255.02914	6.6
259.06192	1.4
269.04480	1.9
283.02423	1.6
283.05890	0.4
284.06738	0.5
287.05502	5.7
297.03955	1.6
299.05441	1.0
300.02737	2.1
311.05515	0.6
312.06357	1.1
313.07196	0.6
314.08142	0.3
315.05011	40.8
329.06653	0.9
330.03262	0.4
330.07364	16.0
345.09717	100.0
346.10031	1.3
466.63611	0.3
507.15329	0.5
609.60211	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.1
56.93240	0.7
60.14409	0.7
67.05505	2.4
67.40727	0.7
69.07066	0.8
79.05491	2.9
81.07047	2.7
91.05487	1.7
93.07025	2.0
95.04968	1.0
95.08603	2.1
105.07021	1.8
107.04945	0.8
107.08615	0.9
118.22504	0.9
131.29100	0.7
133.10165	1.1
145.10109	1.2
160.11223	0.8
204.10226	3.2
209.10736	1.4
221.10809	1.4
223.12276	1.6
237.13823	1.2
249.10304	1.2
251.11737	0.9
313.27383	1.0
314.13000	0.8
323.14557	0.8
326.13022	1.1
328.14404	1.1
329.06546	0.7
330.16177	0.8
330.65067	0.8
336.15051	0.9
338.12985	1.0
340.14203	0.9
354.15829	1.1
363.16171	2.3
364.17599	1.6
368.13980	0.8
370.15787	0.9
375.16287	1.4
376.16974	2.1
377.17740	6.8
378.18427	3.2
384.13531	1.5
388.17401	1.0
389.17862	2.1
390.18610	2.2
391.19220	8.6
392.19962	2.2
393.20850	5.2
400.16870	0.9
401.17636	1.1
402.18381	0.9
403.19446	1.1
405.20947	7.6
406.21533	2.1
407.22467	7.9
417.16589	1.0
417.21378	0.9
419.18515	3.4
419.22656	2.8
420.23499	1.8
421.15900	1.6
421.20456	3.1
422.17145	1.4
431.18835	2.2
433.20331	3.1
434.21167	2.2
435.17175	1.4
435.22806	4.4
436.23187	0.9
437.19592	4.5
438.20959	0.9
443.18848	1.1
445.20618	1.4
447.21933	2.2
448.23145	1.1
449.19785	3.2
450.20349	2.1
451.21429	5.3
459.18240	3.0
461.24036	1.5
463.25433	1.6
464.22229	1.6
465.18887	16.2
466.19901	4.9
473.19397	1.3
474.20587	1.8
475.21487	2.3
477.18851	1.0
479.20306	15.2
480.21472	4.2
489.22739	2.8
491.20520	1.2
492.21686	1.3
493.22211	2.2
495.45313	0.8
501.18985	1.7
502.19763	1.9
505.18314	1.7
506.19839	2.6
507.23904	8.8
508.24542	2.5
509.22226	1.5
515.20728	2.2
516.22034	1.0
517.22418	19.6
518.22791	2.4
519.20294	1.4
523.24060	4.5
533.21796	2.3
535.23456	18.4
536.24188	1.2
537.21313	8.2
547.23517	1.4
551.22839	6.0
552.23657	26.6
561.21014	6.0
575.22723	2.0
579.22198	16.3
580.23273	4.8
587.44647	0.9
595.25549	8.3
597.26764	2.8
607.25562	13.0
611.25482	2.2
621.23468	28.6
639.24493	100.0
639.41284	4.4
640.24719	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	637.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95278	1.4
55.05492	1.8
67.05511	3.4
69.07069	2.4
70.25127	3.7
79.05478	1.6
81.61542	1.4
83.08599	1.7
91.05457	2.0
93.07042	2.2
95.08616	1.9
98.20866	1.9
105.07083	2.3
109.10147	1.9
124.68262	1.6
145.10147	2.1
192.19518	1.5
257.63635	1.7
391.19165	2.4
392.19974	2.1
401.17557	1.7
405.20395	2.4
406.21521	5.4
413.17355	2.9
414.18332	1.6
415.19400	4.4
420.23166	3.1
421.23776	9.1
427.19098	2.6
428.20016	2.6
429.20755	13.3
430.21777	2.1
442.21457	2.5
443.22638	7.2
444.22952	3.1
445.20230	2.9
447.17883	3.6
456.18948	2.1
457.24368	2.7
458.24417	6.3
459.21921	9.4
460.22485	3.9
461.19275	7.3
471.21634	1.7
472.22534	6.9
473.24124	2.4
475.21036	3.2
476.21866	6.7
485.23575	12.4
486.24899	2.8
488.22006	3.1
490.23615	2.2
493.21967	1.7
503.24594	16.6
513.22601	3.1
514.23505	2.4
517.26178	10.3
535.27106	25.8
545.25555	75.9
546.25787	4.7
563.26556	2.6
573.25153	17.8
577.22961	3.2
605.27643	74.7
606.27240	2.9
619.55463	1.6
637.30701	100.0
638.30243	3.4
653.74731	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01862	1.2
55.05510	0.6
57.03424	1.2
61.02925	0.4
67.05497	0.7
68.99805	0.5
69.03437	4.8
69.07100	0.4
70.06588	0.4
71.04998	0.4
71.50069	0.4
73.02925	0.8
76.10590	0.3
78.54174	0.3
79.05502	0.7
81.03426	6.8
81.07051	0.9
83.04979	0.7
85.02905	5.5
87.00835	3.1
91.05466	0.9
93.07032	0.8
95.04976	0.7
95.08604	0.5
97.02893	2.4
97.06538	0.4
99.04464	1.4
105.01864	1.7
105.07025	0.8
107.08589	0.7
109.02881	4.6
111.08093	0.4
117.01852	0.7
119.08598	0.4
121.06523	0.5
121.10129	0.4
127.03914	4.6
135.04420	1.0
137.05994	0.7
145.04919	0.7
145.10162	0.4
147.11705	0.5
149.09785	0.5
151.03975	1.0
151.07483	0.4
159.02892	1.7
163.11211	0.5
178.09555	0.3
217.04962	0.3
227.03419	0.6
227.05490	0.5
232.14140	0.4
255.02945	0.9
259.06058	1.4
277.07016	0.3
283.02316	0.8
287.05438	0.6
290.04318	1.1
300.02652	0.7
301.03473	0.9
301.06973	0.4
303.01367	0.4
305.06485	0.5
313.07034	0.4
315.04892	2.3
318.03723	10.7
328.02161	0.6
329.06573	0.7
330.07169	0.3
333.06058	18.6
334.06497	0.4
340.05756	0.9
343.04520	13.7
358.06903	2.7
361.05557	24.0
362.06125	0.6
376.07910	8.7
391.10245	100.0
392.10544	2.0
459.27386	0.4
510.42029	0.4
545.40204	0.4
602.27533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2663
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
51.67208	0.4
54.30502	0.5
55.05517	0.9
59.19963	0.4
67.05507	1.5
69.07088	0.5
71.51136	0.6
79.05508	0.7
81.07064	0.9
83.04974	0.5
83.08627	0.5
83.51382	0.4
91.05483	1.5
93.07058	1.3
95.04946	0.7
95.06017	0.4
95.08611	1.1
105.07040	1.3
107.08609	0.7
109.10126	0.7
117.07082	0.5
119.08584	0.6
129.07048	0.5
131.08551	0.4
135.11635	0.6
161.06119	0.4
202.15933	0.4
203.16115	0.5
284.11929	0.5
298.13318	0.6
351.20276	0.5
375.16281	0.6
387.16248	1.4
388.16766	1.0
389.17761	2.0
401.17786	1.8
402.18460	1.0
403.19400	2.8
404.20239	1.1
405.20828	1.3
415.14917	0.6
415.19772	1.0
416.20340	0.8
417.16904	1.8
417.21945	2.5
419.22681	2.7
429.17136	1.9
430.17960	0.9
431.18201	3.5
432.19827	1.0
433.20831	1.1
435.17993	0.5
443.19067	0.7
445.20172	4.7
446.21387	2.9
447.22433	2.7
449.19885	0.9
459.22180	1.3
461.10492	0.5
461.16254	2.4
462.16699	0.7
463.21613	4.5
471.18243	0.8
475.17801	1.7
476.18796	1.7
477.18948	2.1
489.18729	2.7
490.19894	8.7
491.20776	12.0
503.20947	4.2
504.21368	1.2
505.26218	1.0
517.22516	2.6
533.25885	5.1
535.19977	1.9
545.21863	1.1
549.24493	1.6
562.21759	0.6
577.24536	26.7
578.25018	1.4
587.23480	0.8
593.27899	1.6
605.24164	1.7
619.25586	0.8
637.26624	100.0
638.26782	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.266
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
53.03955	2.1
55.05502	3.2
56.38345	0.9
57.07068	1.1
60.19777	0.8
63.38594	1.0
63.97527	0.9
67.05510	8.4
69.07064	2.6
69.25053	4.0
69.25469	3.6
71.08630	1.7
74.09721	1.4
77.03940	1.1
79.05513	4.4
81.07046	2.6
83.08629	2.7
91.05477	3.4
93.07027	1.4
94.06568	2.1
95.04966	2.1
95.08598	1.4
97.10186	1.3
98.20792	1.5
104.04992	4.6
105.04514	1.0
105.07017	0.9
106.06551	3.3
109.10174	6.0
119.08628	1.5
120.08138	1.7
134.06018	14.3
138.05508	0.9
147.11650	0.9
152.07082	2.2
158.98816	1.0
160.03978	2.3
172.03987	4.1
173.11801	1.1
176.01244	0.8
178.04991	12.8
178.06332	1.4
204.06567	6.0
207.09279	2.0
209.07260	1.1
209.10773	2.0
210.11533	1.3
221.10944	2.4
223.08720	2.7
223.12262	1.7
224.09471	2.2
224.13531	0.8
225.10226	3.2
227.11812	1.9
229.88800	1.0
235.08653	2.8
236.09460	2.4
237.06703	1.0
237.10205	4.7
238.10945	1.2
239.08322	1.0
239.11827	1.5
247.08719	1.3
249.10307	6.7
250.11162	1.9
251.08183	3.1
251.11885	3.4
253.09773	1.2
253.13419	3.9
261.10281	1.1
263.08264	2.1
263.11499	0.9
264.09079	1.2
265.09711	2.8
267.11356	1.5
276.51025	0.9
277.09686	4.2
278.10608	1.9
279.07956	1.7
279.11371	3.4
281.09595	1.1
281.12973	2.8
286.13843	1.3
293.12689	1.3
297.12332	3.4
298.13535	1.9
299.14380	1.3
300.11481	0.9
301.12457	2.4
305.09348	3.0
307.07196	1.2
307.10703	1.2
309.12473	1.1
310.13605	1.0
311.10724	1.5
311.14172	1.7
312.11438	2.1
313.12772	1.5
314.12958	2.4
315.13712	1.9
316.14172	1.0
324.11484	2.8
325.12204	2.9
326.13083	3.3
327.13815	1.4
328.14484	2.1
330.16260	1.8
331.91519	0.9
337.11862	12.6
338.12970	2.8
339.10065	1.7
339.13779	2.7
340.10748	2.5
340.14667	4.6
341.11865	1.2
342.12439	1.4
343.13232	0.9
352.10681	1.9
352.14679	1.9
353.11414	1.4
354.12408	4.2
354.16251	1.9
356.13904	2.1
358.15527	2.5
366.12491	2.1
367.13080	1.4
368.13782	5.0
369.14703	1.5
370.15704	1.9
374.15747	1.0
379.12732	1.1
382.11328	1.1
382.15555	3.6
384.17255	2.7
395.12524	1.3
396.13513	2.4
401.68280	1.1
403.15558	1.3
405.17090	1.3
410.14960	4.0
412.16864	1.1
414.18442	1.0
417.17484	1.4
418.18613	1.4
419.19174	1.3
427.15552	1.5
428.16177	1.3
432.19562	1.5
433.16013	1.8
438.14526	2.9
442.17783	3.7
444.19290	3.0
445.16275	1.2
448.19238	1.1
449.19867	1.4
461.20099	1.7
462.20786	1.8
463.21280	1.1
465.35754	10.3
470.17096	7.6
472.18994	1.4
475.21384	3.3
488.18237	2.7
489.19281	1.7
490.20282	1.3
491.21008	2.6
502.19525	1.3
503.20605	3.6
504.21475	2.0
517.22211	2.5
527.20612	1.1
530.19458	1.8
531.20300	1.6
535.23480	28.3
536.24237	1.5
545.21771	2.4
549.25134	3.2
563.22815	4.5
573.21149	3.9
577.24518	38.8
587.22687	1.7
595.25665	10.6
605.23962	66.5
606.24390	3.6
609.27448	1.3
619.24963	1.2
637.26587	100.0
638.26801	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35205	0.4
54.74402	0.3
55.05464	0.4
57.07027	0.5
58.98982	0.4
67.05412	1.1
69.07016	0.5
71.08559	0.6
71.51272	0.3
79.05450	0.8
81.06985	0.9
89.03864	0.5
91.05420	0.7
92.85027	0.4
93.06987	0.5
94.06506	0.8
94.70014	0.4
95.08530	0.9
106.06510	0.6
107.07264	0.8
107.08517	0.6
108.08024	0.7
109.10057	0.7
116.04888	0.6
118.06506	0.8
119.08476	0.8
120.08018	0.6
123.11651	0.5
129.06926	0.4
130.06421	0.5
134.05956	0.4
144.04399	0.6
144.08000	0.7
146.05887	1.0
153.06862	0.4
154.06381	1.3
156.07971	0.6
158.09563	0.7
162.05519	1.8
164.06955	0.5
164.99312	0.3
166.06412	0.5
167.07275	1.0
168.08099	2.2
169.07544	0.5
169.08839	0.6
170.09550	0.8
178.06419	0.4
179.05978	0.7
180.06636	0.8
180.08072	0.8
181.07530	2.7
181.08813	1.2
182.08264	1.7
182.09694	0.7
183.09070	0.9
183.10410	0.5
184.07440	0.5
184.09839	0.4
190.06406	0.5
192.06650	0.8
193.07581	3.3
194.08304	3.2
195.07623	0.5
195.09169	8.4
195.63950	0.4
196.07507	0.6
196.09813	4.3
196.11333	0.8
197.10713	5.5
197.21078	0.4
198.07677	0.5
198.12788	1.2
200.09315	0.7
207.09155	5.4
208.07516	1.4
208.09819	6.4
209.06935	2.2
209.10732	10.2
210.07770	1.6
210.09624	0.5
210.11484	9.8
211.08574	1.4
211.12248	3.7
212.09338	1.0
212.13077	2.1
219.07056	0.6
219.09126	0.9
220.09926	0.6
221.07048	3.6
221.10533	1.9
222.07863	2.4
222.11412	1.1
223.08723	9.7
223.12251	8.7
224.09425	22.4
224.12718	3.5
224.58092	0.5
225.06673	0.4
225.10275	11.0
225.13820	10.2
226.07361	0.6
226.10745	0.5
226.14629	3.2
227.15305	1.2
228.08723	0.7
235.08659	8.7
235.12192	0.9
236.05447	1.1
236.09389	5.4
236.13037	0.6
237.06413	1.5
237.10258	6.3
237.13777	0.7
238.07280	0.6
238.11008	4.6
239.08177	2.4
239.11678	1.5
239.15199	0.6
240.12643	0.4
241.09644	1.0
241.13208	0.4
247.08678	0.7
249.06496	1.7
249.10156	1.0
250.07294	2.1
250.10881	0.9
251.08052	6.7
251.11707	7.8
252.08806	1.7
252.12344	0.5
253.13362	30.1
254.13846	0.9
255.07413	0.5
255.11295	4.8
256.08429	0.6
256.09164	0.6
256.12051	5.7
257.12720	0.6
263.08163	6.1
264.08929	4.8
264.49603	0.4
265.06061	1.7
265.09631	4.5
265.13220	1.1
266.06824	1.1
266.10431	3.2
267.07590	1.6
269.09265	2.4
269.12869	2.1
270.13480	1.7
271.14450	2.2
272.07870	1.8
275.08218	0.5
277.05945	2.8
277.09210	0.7
278.06674	1.3
279.07623	2.4
279.11182	7.9
280.08279	0.6
281.09131	6.5
281.12704	2.5
282.10059	0.7
283.10666	1.7
289.06018	0.4
291.07663	9.6
292.08279	1.0
293.09262	2.9
293.12225	0.7
295.07022	1.4
295.10526	0.8
295.14279	0.4
297.08652	1.5
297.12268	6.9
303.23071	0.5
307.10764	1.0
308.07956	0.9
309.08734	2.4
310.09479	4.9
311.10117	2.5
311.13895	1.5
312.10736	0.4
319.07181	2.7
321.08481	0.6
323.10178	1.9
323.13669	0.4
324.07303	0.6
325.11874	6.5
327.09756	0.6
329.11484	0.6
337.07986	1.3
337.11801	0.4
338.12793	0.6
351.09763	45.1
352.10449	1.0
353.11423	1.1
354.08557	0.7
356.13861	0.9
369.10825	24.9
370.15515	0.6
397.10486	0.9
418.14020	0.6
433.16028	0.5
438.14493	0.6
445.20694	0.5
447.17682	0.7
456.15823	0.9
458.17075	1.3
461.19766	0.9
470.17291	3.0
474.21063	0.4
475.21756	0.9
489.22849	1.5
499.21674	0.6
503.21011	2.7
517.22467	8.6
519.20764	0.6
531.20483	0.6
545.21631	3.3
549.24902	1.4
573.21320	4.5
577.24463	45.6
578.24744	1.4
587.23523	0.6
605.23956	100.0
606.24115	4.1
623.24805	0.7
637.26587	21.1
638.26990	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.9
58.89897	0.4
65.03893	0.4
67.05507	2.3
69.07066	0.5
71.51314	0.5
77.10313	0.3
79.05477	1.5
81.07056	1.7
91.05471	1.5
93.07049	1.7
95.04950	0.6
95.08595	1.4
98.98473	1.8
105.07027	1.2
107.08575	1.1
109.06534	0.5
109.10164	1.0
110.10526	0.5
115.31882	0.4
117.07071	0.6
118.06560	4.5
119.08563	1.2
121.10133	0.5
125.00008	5.6
131.08524	0.7
132.08069	1.9
133.08794	0.9
133.10112	0.9
134.09624	0.7
135.08052	0.5
135.11638	0.4
144.08093	15.1
145.10152	0.7
146.09654	1.5
147.10437	0.6
158.09650	5.5
159.10440	2.0
159.11584	0.5
160.11198	0.9
162.09152	1.9
172.11227	4.3
173.11888	0.8
175.29779	0.3
176.10843	1.7
176.14354	21.5
177.11385	0.8
177.14696	0.4
184.07301	0.5
190.12294	0.8
200.72491	0.4
202.15923	100.0
203.16263	1.6
220.16977	92.3
221.15411	0.5
221.17387	0.8
222.15688	0.5
254.24332	0.4
284.20636	0.3
300.13614	68.4
301.13873	0.9
325.31747	0.3
374.17230	0.6
376.73886	0.4
522.90643	0.4
569.94012	0.4
616.28210	0.5
616.37750	6.7
634.38696	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.6
60.70437	0.3
67.05496	1.7
69.07034	0.5
69.49116	1.9
73.13918	0.3
79.05485	0.7
81.07030	1.4
86.09683	1.2
86.95576	0.3
91.05438	0.9
93.07040	0.6
95.08583	1.0
98.98440	1.4
107.08514	0.3
109.10135	0.4
117.06997	0.4
118.06567	4.3
119.08508	0.4
124.99990	6.1
131.08522	0.4
132.08063	1.3
133.08865	0.7
144.08087	13.3
144.09248	0.7
145.08870	0.6
146.09644	1.7
154.86687	0.3
158.09639	5.4
159.10449	1.6
160.11227	1.2
162.09134	2.8
171.20384	0.3
172.11212	4.1
173.11983	0.5
176.10869	1.7
176.14349	22.4
177.11456	0.7
184.07343	2.8
186.12730	0.5
190.12285	1.2
202.15913	100.0
203.16260	1.4
220.16969	90.2
221.17236	1.0
243.91885	0.3
300.13602	67.5
301.13947	0.9
309.94907	0.3
337.27417	0.3
374.17181	0.8
577.25647	0.5
618.39178	5.3
636.40222	25.9
637.40356	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
67.05517	1.8
69.07060	0.4
70.10799	1.1
79.05474	0.9
81.07053	1.3
86.09708	1.9
91.05470	0.7
93.07013	0.6
95.08588	0.9
97.51601	0.2
98.98470	1.8
105.07002	0.6
107.08597	0.5
109.10162	0.6
118.06558	4.6
119.07278	0.3
119.08549	0.4
124.99103	0.3
125.00009	7.2
132.08060	1.5
133.08826	0.9
134.09625	0.7
144.08087	12.2
144.09248	0.6
145.08919	0.6
146.09633	1.5
158.09647	6.0
159.10454	2.1
159.21834	0.3
160.11200	1.1
160.42923	0.3
162.09151	2.7
172.11198	4.0
173.11975	0.3
174.12801	0.3
176.10872	1.4
176.14348	22.3
177.11435	0.4
184.07324	4.7
187.13722	0.3
190.12257	1.3
202.15910	100.0
203.16273	0.9
220.16966	92.4
221.17389	1.2
300.13596	67.3
301.14044	0.4
359.32370	0.3
374.17456	0.7
618.39221	6.5
619.39075	0.3
636.40240	25.9
637.40454	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.5
61.14108	0.6
67.05510	1.9
69.07079	0.9
74.16622	0.6
79.05505	1.2
81.07056	2.0
91.05480	1.1
92.29482	0.6
93.07040	1.5
95.04974	1.0
95.08638	1.3
98.20619	1.0
105.07011	1.4
119.08627	1.1
131.08572	0.6
159.11797	0.6
222.11502	0.7
235.12378	0.8
249.10136	0.6
259.12482	0.8
325.15543	0.7
363.16302	1.3
373.15100	0.7
374.16644	1.2
376.17307	1.0
377.17719	3.0
378.18402	1.8
385.14728	0.9
387.16629	0.9
389.17758	1.6
390.18967	0.8
391.19086	3.5
392.20169	2.1
393.20859	5.2
399.16284	1.7
400.17047	2.0
401.17841	3.3
402.18628	0.9
403.19424	1.0
404.20511	0.9
405.21069	2.8
406.21475	1.1
407.22375	7.1
408.23099	0.8
412.17584	0.7
413.17789	3.0
414.18619	3.8
415.19354	6.4
416.19849	2.1
417.16470	0.9
417.21362	1.3
419.18805	2.5
421.20273	4.0
425.17889	1.1
427.19623	1.3
428.20425	3.0
429.21503	5.8
430.22186	2.8
431.18997	1.9
433.16177	0.8
434.21341	1.0
435.21832	5.8
436.22659	1.4
441.17233	1.5
442.17618	1.1
443.18561	3.8
443.23035	2.0
444.18732	4.2
445.20724	3.5
446.21280	1.4
447.17966	1.8
448.18497	0.8
449.19604	0.7
455.18564	1.0
456.19516	1.9
457.20953	4.5
458.21533	3.3
459.18515	2.2
461.19571	1.4
462.20386	0.9
463.21234	1.2
469.16602	1.6
470.17224	1.4
471.22629	6.2
472.23520	4.7
473.19589	6.1
474.20496	3.2
475.17529	2.4
475.22501	0.9
476.18378	1.1
484.18951	1.2
485.19818	4.3
486.20694	5.0
487.21622	3.1
488.22125	1.1
489.19424	2.8
489.24301	1.0
490.19489	3.4
491.21161	2.1
494.26419	0.8
499.21335	10.2
500.22009	2.1
501.18719	0.7
501.23428	0.8
502.20316	1.4
503.20450	2.0
503.24734	2.9
504.21674	0.8
513.19025	6.0
514.19769	1.4
516.21350	1.6
517.22467	14.7
518.22803	0.9
521.25537	1.9
527.21021	2.7
528.21545	1.5
529.22595	2.2
531.24475	12.1
543.23712	1.7
545.22174	2.0
549.25110	6.9
559.23450	77.5
560.23749	2.1
573.21313	1.0
577.24298	2.7
587.22986	14.2
591.26178	5.0
605.23975	8.3
609.27557	1.5
619.25537	74.7
620.26001	2.5
637.26575	100.0
638.26746	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	637.266
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
69.32878	3.9
73.33366	0.5
84.16740	0.6
102.60354	0.6
107.26475	0.5
135.13179	0.5
162.54272	0.5
162.68242	0.5
188.90018	0.6
209.10791	0.6
218.84373	0.5
237.10210	0.6
373.15973	0.7
374.16156	0.9
377.17532	1.3
386.15485	1.5
387.16336	0.9
388.18161	0.7
389.17767	1.2
391.19351	2.5
392.19897	1.3
393.20715	2.8
397.15833	0.6
398.16190	0.8
399.16095	2.3
400.17078	3.0
401.17542	2.4
402.18658	0.7
403.19104	0.9
405.21237	1.2
407.22507	3.6
412.17648	0.8
413.17868	3.6
414.18652	4.8
415.19333	9.1
416.20013	2.1
417.20752	1.6
418.19077	0.7
419.22568	0.8
421.20178	2.7
425.18207	0.9
427.14648	0.9
427.19272	1.6
428.20358	4.2
429.21338	9.8
430.22052	2.5
431.18634	1.0
435.21756	2.2
439.19391	0.7
441.17297	1.9
442.18002	2.0
443.18329	3.5
443.22647	3.8
444.18689	5.5
445.20218	3.2
447.18091	1.4
448.19183	0.8
455.18845	1.1
456.19604	1.5
457.20532	5.8
458.21304	4.8
459.18173	1.9
461.19888	1.0
463.20862	0.7
469.16449	1.1
471.22159	8.3
472.23138	6.0
473.19617	5.5
474.20544	1.1
481.20465	0.7
484.19220	1.1
485.19815	2.9
486.20447	8.0
487.21552	2.7
488.22177	1.2
489.23282	0.8
490.19891	3.3
491.21231	0.6
491.86383	0.6
499.21426	10.8
500.22925	2.9
502.19901	1.0
503.24927	3.9
503.45166	0.6
513.19055	0.7
514.19775	0.7
516.21326	1.7
517.22595	2.7
521.25262	0.6
527.20801	2.7
528.21387	1.2
530.22729	0.7
531.24005	13.1
543.23523	1.0
545.21619	1.0
549.25409	1.3
559.23462	100.0
560.23914	3.9
577.23651	0.6
587.22992	17.1
588.23889	0.8
619.25562	94.2
620.26105	3.0
637.26740	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	633.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.2
55.01864	4.2
55.05516	23.3
57.03442	7.7
57.07066	3.5
57.56028	1.3
59.04992	4.2
65.03930	5.8
67.05510	100.0
68.28413	1.3
69.03094	2.4
69.03436	35.6
69.07071	16.1
69.36880	11.4
71.01344	1.5
71.05024	6.8
71.05343	1.4
77.03886	1.7
79.05500	38.0
80.96363	1.5
81.03427	23.4
81.06592	2.5
81.07064	48.5
83.04990	8.3
83.08620	12.3
85.02915	4.2
85.06534	3.0
87.04405	1.6
91.05486	41.6
93.06488	2.2
93.07053	41.8
94.59342	1.4
95.04982	14.3
95.08613	32.1
97.02880	4.4
97.06552	3.2
97.10201	7.3
99.04432	3.2
99.08119	1.7
103.05467	1.7
105.07030	28.8
107.04947	4.4
107.08598	24.1
109.02859	6.1
109.06497	5.5
109.10163	54.1
111.04445	6.6
111.08089	4.8
115.05434	3.0
116.69676	1.4
117.07034	12.8
119.08598	24.4
121.06475	5.6
121.10148	19.1
123.08047	4.5
123.11737	2.7
125.09629	7.5
127.03903	2.8
128.06226	1.9
129.07016	11.9
129.08633	1.4
131.08568	18.3
133.06534	2.7
133.10139	14.8
135.08046	4.5
135.11676	11.7
137.09599	4.5
139.11153	1.8
141.06987	4.2
142.07770	3.1
143.08572	10.2
145.06494	3.1
145.10144	15.2
147.08099	2.3
147.11722	10.9
149.09653	4.0
149.13225	3.1
151.07483	3.6
155.08531	5.8
155.10674	5.6
157.06537	1.4
157.10132	9.0
159.08075	2.9
159.11682	11.5
161.09644	2.7
161.13287	5.0
163.11159	2.8
163.14784	1.9
167.08595	3.2
168.09485	1.5
169.10109	4.4
171.07990	2.2
171.11681	8.6
173.09572	2.4
173.11740	15.2
173.13277	6.0
175.11215	3.5
175.14900	2.0
177.12727	1.5
181.10037	3.1
183.11699	4.8
185.09653	2.1
185.13301	6.9
185.96642	1.4
187.11142	2.2
187.14827	2.1
189.11279	3.3
189.12787	3.0
195.11711	3.8
197.09567	1.4
197.13287	3.5
199.14874	2.8
201.12697	2.8
203.14357	3.4
207.11691	2.2
209.13356	2.3
211.11307	1.9
213.16284	1.7
221.15393	2.3
227.12646	2.7
229.14352	17.8
241.19423	1.8
259.20444	1.7
261.22049	2.3
277.21677	4.0
283.20407	1.6
289.21765	2.0
299.14883	2.6
301.21561	6.1
313.21646	2.5
315.23254	2.8
319.22598	2.7
327.23102	3.1
335.25925	1.7
339.23065	1.7
341.24573	2.6
351.23105	5.8
353.24701	2.3
355.17377	3.1
369.24335	11.7
371.25894	1.9
387.25296	5.8
405.26736	1.9
443.27777	2.9
461.29059	6.1
489.35721	1.6
597.37866	7.4
615.39136	9.7
633.40106	42.9
634.40820	2.2
646.19934	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94513	1.4
53.03933	5.7
55.01867	3.6
55.05518	20.5
57.03428	5.4
59.04981	4.5
65.03922	5.0
67.05508	100.0
69.03092	1.9
69.03435	32.4
69.07078	12.2
69.14622	9.8
69.15049	5.9
71.01356	1.7
71.04986	6.3
79.05498	30.8
81.03425	22.1
81.06599	2.1
81.07059	40.8
83.04965	6.5
83.08634	10.7
85.02889	4.0
85.06556	3.5
85.43018	1.6
90.53478	1.6
91.04918	2.1
91.05489	33.3
93.06490	2.0
93.07048	33.6
95.04978	8.4
95.08073	1.9
95.08617	27.3
97.02911	3.7
97.06523	5.5
97.10149	6.6
99.04441	2.5
99.49546	1.5
99.60062	1.4
103.03933	1.8
103.05447	2.7
105.07030	25.5
107.04947	5.0
107.08599	17.7
109.02888	3.8
109.06494	4.8
109.10164	53.1
111.04424	5.3
111.08065	4.5
113.05988	1.7
115.04707	1.5
115.05480	3.1
117.07029	13.4
119.08592	23.0
119.69285	1.3
121.06486	4.0
121.10146	14.7
123.04467	1.4
123.08083	3.8
123.11700	2.2
125.09636	6.0
125.22702	1.7
127.03900	2.9
128.06177	2.2
129.05461	1.7
129.07002	8.2
130.07774	2.6
131.08562	18.7
133.06430	2.2
133.10138	12.7
135.08043	2.9
135.11728	7.6
137.09610	4.1
139.11122	2.6
141.07013	2.7
142.07767	2.8
143.08614	7.6
145.06458	3.0
145.10133	14.9
147.08035	4.1
147.11705	8.0
149.09639	1.7
149.13232	4.1
151.07472	2.0
155.08569	4.4
155.10670	6.4
157.06451	2.4
157.10130	6.4
159.08127	3.2
159.11703	11.0
161.09619	4.7
161.13269	3.6
163.11154	2.4
169.10103	4.3
171.08008	1.9
171.11739	5.4
173.09579	3.5
173.11716	9.9
173.13290	6.3
175.11192	2.8
175.14832	2.4
177.12755	2.9
181.10141	1.9
183.11644	4.7
185.09477	1.5
185.13264	5.7
187.11270	2.8
187.14803	2.4
189.11215	3.8
189.12756	2.4
191.10477	2.0
197.13332	2.5
199.11166	1.7
199.14848	2.8
201.12886	1.5
201.16461	1.8
207.13733	1.7
209.09792	1.5
209.13298	2.7
229.14365	17.5
245.13866	1.7
255.17479	2.1
259.20526	2.2
261.22128	2.6
277.21735	3.4
299.14795	4.0
301.21695	6.6
303.23297	1.8
315.23209	1.5
315.71408	1.7
319.22751	3.0
327.23322	2.2
339.23239	1.9
341.24643	3.3
351.23132	5.0
353.24689	3.5
355.17438	2.6
367.11505	1.8
369.24240	13.5
387.25241	6.5
393.17874	2.0
438.53601	1.5
443.27774	2.6
461.28860	5.7
471.07111	1.3
489.35730	1.7
585.37720	3.1
597.37787	7.4
615.39148	11.4
633.39978	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.9
56.96582	0.9
57.07080	1.6
59.05010	1.8
67.05506	5.9
69.03426	2.2
69.07072	2.3
71.36850	0.9
71.52036	1.3
79.05493	4.8
81.07076	6.5
83.05000	2.0
83.08614	2.5
85.06555	2.7
89.90096	1.0
91.05479	7.0
93.07048	6.3
95.04987	4.4
95.08604	4.8
97.06563	1.5
105.07047	9.9
107.08613	5.5
109.06538	3.2
109.10166	4.2
111.08074	1.4
117.07024	3.5
119.08567	8.1
119.15536	1.0
121.06529	2.6
121.10149	6.3
123.08076	5.6
125.09653	2.1
129.07045	2.3
131.08545	5.3
133.06514	1.4
133.10132	5.9
135.08107	1.8
135.11700	1.9
137.09630	2.0
142.07782	2.5
143.08592	2.5
145.10127	5.5
147.08090	2.8
147.11743	2.5
149.09683	2.6
149.13408	1.3
151.07523	4.7
155.08670	0.9
156.09389	1.5
157.10181	4.2
159.08125	1.0
159.11778	3.8
161.09645	2.8
163.11208	3.3
165.09160	4.0
167.10750	2.4
169.10167	2.3
171.11742	2.8
173.09604	1.3
173.13350	1.4
181.10153	1.7
181.12311	1.8
183.11755	1.5
187.11287	1.2
189.12801	2.1
195.11774	2.1
197.13303	1.5
199.11122	1.5
203.14244	1.3
207.11929	1.3
207.13853	3.5
209.10910	1.0
209.13329	1.2
211.13203	1.3
221.15367	9.4
223.12341	1.3
223.14844	1.1
233.10666	1.5
233.15453	1.2
237.14026	1.4
241.16060	1.3
256.35538	1.2
262.13504	1.4
276.15134	1.4
326.16473	1.3
351.16431	2.8
352.17047	2.9
353.17731	2.2
354.19315	1.9
365.17807	4.5
366.18600	4.5
367.19254	5.5
375.16522	1.1
379.19168	4.9
380.20331	2.9
381.20895	11.0
382.21716	1.5
392.20520	1.0
393.21152	1.7
394.18021	1.1
406.17868	1.4
407.18927	1.7
409.20453	4.5
421.20215	6.2
435.17682	1.2
436.22705	2.4
437.19656	2.3
439.21567	3.4
440.22394	1.2
449.19308	1.3
451.21573	2.1
452.22409	1.2
453.22934	8.8
463.21768	1.5
464.21658	1.7
465.19162	3.7
465.24454	1.5
467.25021	1.4
468.25443	30.9
469.26163	2.3
475.21387	2.8
477.19186	6.3
479.24203	1.4
481.22031	2.4
492.21628	12.9
496.25009	5.3
497.25766	1.8
503.89154	1.0
523.27771	1.1
524.24664	3.1
525.24951	1.2
539.26440	2.2
551.26447	4.9
552.23700	100.0
553.24420	33.0
554.25128	1.1
567.26086	4.6
569.27374	2.9
571.25452	1.5
585.27448	1.3
595.25537	19.6
599.41089	1.5
613.26587	18.5
631.27747	43.0
631.44495	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	631.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61214	0.6
67.05506	1.0
69.03429	0.8
70.86888	1.5
78.71165	0.6
79.05476	0.9
81.03414	1.0
81.07046	1.3
83.04985	1.4
85.02920	1.3
91.05490	1.6
93.07067	2.3
95.04934	0.7
97.06522	1.4
105.07019	1.0
107.08585	1.3
119.08608	0.8
121.06508	1.2
131.08533	0.8
133.10159	0.9
137.06013	1.2
147.07945	0.8
147.62424	0.6
149.46718	0.6
161.13222	0.7
164.13559	0.7
171.11726	0.6
174.33720	0.5
175.11276	0.6
203.05293	1.2
217.12262	1.2
245.06323	5.5
285.18503	0.8
289.05304	11.3
317.23477	1.4
331.10898	0.6
335.24466	0.7
337.10645	0.6
347.24979	0.8
365.26645	18.3
383.11255	1.6
383.27582	10.3
384.28195	0.8
406.47653	0.8
425.27286	0.7
527.31818	1.0
545.32928	2.6
569.33142	1.1
587.34003	19.0
588.34894	0.7
613.31653	2.9
631.33002	100.0
632.33466	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	629.2975
Annotation	Primary fluorescent chlorophyll catabolite
Peak:m/z	Relative Intensity
54.98764	1.3
55.05515	2.1
67.05505	7.1
69.07066	3.0
70.99753	2.4
79.04475	1.1
79.05504	3.2
81.07063	6.9
83.08630	1.2
88.03238	1.1
89.06042	4.3
91.05470	3.7
93.07080	3.2
95.08611	6.0
97.10129	1.4
105.07056	2.7
107.08633	2.2
109.10159	2.6
117.07066	1.1
119.08602	3.1
121.10157	2.2
129.17433	1.1
131.08601	1.7
133.08598	2.0
133.10182	2.4
143.08643	1.2
145.10167	2.4
183.09157	1.4
188.07918	1.1
209.10803	2.0
223.12457	1.3
224.13148	1.2
237.13948	2.0
252.16469	1.5
275.20065	2.3
287.15240	1.6
312.15289	1.3
318.16098	2.1
352.17560	1.4
353.18015	3.2
365.18066	2.0
367.19266	3.1
377.17575	2.8
378.19336	1.6
379.19370	3.3
381.21161	1.5
393.17001	3.8
393.21112	3.2
395.18817	4.2
405.20996	1.8
407.22873	2.6
408.19891	1.7
409.20297	10.5
421.19891	1.6
423.21936	5.6
424.22647	2.2
435.21997	2.8
437.23630	1.5
447.21893	1.9
449.23773	2.4
451.21591	3.5
461.23428	2.5
463.21243	3.0
467.21036	6.8
468.21844	1.5
479.24960	6.1
481.22568	4.3
482.23035	11.0
483.24030	1.9
493.26675	1.6
494.24716	4.1
495.23285	6.7
496.24554	1.6
497.25424	1.5
507.23572	2.4
509.14767	1.3
509.22324	4.2
510.26117	4.5
511.27139	23.9
521.25256	3.6
522.26233	1.3
523.23529	6.0
525.28760	6.9
526.28723	4.9
537.25415	6.1
538.25616	6.5
539.26471	2.7
542.29053	2.0
553.28320	11.8
554.28961	8.3
555.26367	4.3
569.27789	39.3
570.28290	14.6
579.26123	1.7
585.30713	41.5
586.30310	1.8
597.27106	21.1
598.27509	1.8
611.28876	6.9
629.29761	100.0
629.46851	4.7
630.29614	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	629.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28585	0.6
50.81095	0.8
53.03951	2.0
53.45040	0.6
54.74360	0.7
55.01871	2.0
55.05517	7.0
56.05844	0.9
57.03435	3.1
57.07077	1.5
63.11554	1.0
65.03953	1.5
67.05509	17.2
68.05853	1.3
69.07076	4.9
71.04980	1.2
71.08628	4.5
71.11414	1.4
71.11761	1.0
79.05499	17.1
80.05828	3.6
81.07059	18.0
82.07417	2.2
83.04987	3.1
83.08623	3.7
89.06052	1.6
91.05497	10.3
92.05823	1.5
93.07052	17.2
94.07384	2.1
95.04981	2.4
95.08622	9.2
96.08944	0.9
97.06529	2.0
97.10189	2.5
99.08104	3.0
105.07048	9.7
106.07385	2.5
107.04959	2.2
107.08591	9.6
108.05357	1.0
108.08939	1.3
109.06564	2.0
109.10144	4.8
110.10519	1.5
117.07024	3.6
119.08591	7.9
120.08923	1.2
121.10163	5.9
122.10514	0.8
123.08083	1.2
123.11761	1.1
125.09653	1.5
128.06189	1.0
129.07005	1.4
131.08575	4.6
133.08636	2.1
133.10124	4.8
134.10576	1.2
135.08057	1.0
135.11703	5.6
137.55670	0.7
143.08571	1.3
145.10155	4.9
147.11684	3.9
149.09659	3.0
149.13280	1.5
151.11201	0.8
157.10161	1.5
159.11746	2.7
161.13310	2.5
163.11183	0.9
169.10123	1.0
173.13354	2.2
177.11304	1.2
179.14285	3.7
185.13402	1.6
187.14867	1.0
219.17455	4.9
220.17842	3.7
233.10889	0.8
237.13864	1.0
243.21205	1.4
247.12144	0.9
261.22226	1.4
275.20261	3.4
276.15231	1.1
276.20395	4.6
277.21747	4.3
279.11218	1.0
286.13425	0.8
314.16656	1.1
317.24677	1.4
318.16141	1.8
335.25873	6.7
336.26102	4.1
337.15338	1.3
337.26746	2.8
339.16364	0.8
350.24197	1.1
351.24887	3.9
353.17725	2.8
365.17825	1.1
367.19540	1.5
379.15164	1.2
379.19363	3.0
380.16580	1.2
381.17621	0.9
383.18140	1.0
393.17029	2.8
394.18341	1.6
395.18851	2.0
401.14014	0.8
405.17239	0.8
407.18741	2.4
408.19562	2.4
409.20493	7.7
421.20370	2.9
422.20880	2.4
423.21915	13.1
424.22415	2.8
433.20935	0.9
435.22470	4.8
436.22461	2.8
437.23505	3.0
441.22678	1.1
449.19315	1.3
450.24133	2.6
451.21323	2.3
453.19107	1.6
454.20102	4.1
461.23578	3.6
462.20883	1.0
463.21347	1.8
466.22583	0.9
467.20581	7.2
477.23141	4.9
478.23413	2.6
479.20901	1.1
480.21771	0.9
481.22720	2.8
482.22992	4.7
483.24377	1.0
493.22409	3.3
494.23483	2.1
495.23849	3.9
496.24829	1.5
505.22787	1.2
508.25067	9.2
509.25922	8.5
510.26361	7.3
511.27249	10.3
513.38965	1.1
515.37140	1.1
517.38647	1.1
519.24011	1.3
525.28528	4.3
531.40509	1.2
537.25024	17.9
538.25751	4.1
539.22729	1.3
541.24615	7.3
542.29132	4.4
553.25165	1.1
554.24731	1.1
569.27655	23.8
570.28284	1.7
597.27063	39.6
598.27155	1.9
601.30298	2.8
610.45422	2.8
611.46320	14.2
628.46863	0.8
628.57593	0.9
629.29755	100.0
629.47369	4.8
630.30463	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	629.2261
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
59.90496	0.8
67.05507	2.1
71.27946	1.4
79.05489	1.2
81.07059	1.1
91.05479	1.4
93.07062	0.9
95.04929	0.9
105.07053	1.6
107.08593	1.6
108.09036	0.7
116.08352	0.7
116.94204	0.6
119.08581	1.1
121.10140	1.2
133.10193	1.0
145.10152	1.1
157.10135	0.9
244.11562	1.0
397.13010	3.0
399.14697	1.9
400.15424	1.2
409.13409	1.0
410.13791	3.5
411.14536	7.3
412.15268	5.8
413.16159	4.8
414.16782	0.9
423.14697	1.6
424.10892	1.4
424.15424	2.6
425.16281	18.3
425.90298	0.8
426.17047	9.6
427.17993	3.6
428.18668	4.0
429.19220	0.9
437.16135	0.9
438.13174	3.0
438.17920	1.0
439.13605	18.8
440.19165	7.6
441.19354	35.6
442.19797	1.8
447.20670	0.8
451.13925	1.1
452.14795	3.2
453.15469	23.0
454.16006	4.8
456.17801	2.1
465.15646	1.3
467.17242	28.6
468.17969	20.7
469.18954	11.1
472.17548	1.0
481.14706	10.2
482.15839	2.5
483.16940	0.9
484.21960	3.4
485.18314	1.8
486.18726	1.1
495.16718	2.2
496.17014	12.7
497.16937	1.2
498.18848	2.5
499.19513	1.6
500.20874	4.0
509.18451	1.8
510.18857	1.0
512.20032	3.0
513.22131	5.2
514.22083	1.7
523.19574	1.7
524.15619	1.1
528.19861	1.1
541.20917	47.4
542.21008	2.7
553.20093	1.1
568.19263	1.6
569.20282	100.0
570.20660	4.5
572.18982	0.9
573.23425	3.3
597.19568	29.2
600.22473	1.3
601.22968	13.5
629.22015	69.0
630.22327	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	629.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
60.51956	1.4
67.05487	2.0
69.07053	3.5
70.81063	3.0
79.05492	1.6
82.42085	1.4
91.05495	1.7
91.57206	1.6
105.07048	2.3
112.44512	1.3
119.08591	2.3
140.07126	2.1
197.07088	1.5
198.87585	1.3
211.08641	2.0
221.10773	1.7
225.06668	1.3
235.08690	2.2
249.10219	16.2
250.10800	2.3
251.11830	4.8
252.47868	1.5
261.10190	1.5
263.11856	3.5
277.09738	5.5
278.10495	2.3
295.10773	2.3
299.11084	1.2
309.12387	5.3
310.13562	1.8
313.12286	3.1
322.13290	1.8
323.10303	3.7
323.13965	8.3
324.14917	3.3
325.13007	1.7
326.12961	1.9
327.13635	3.8
328.14410	5.9
338.16583	3.4
339.17462	6.1
340.10818	2.5
340.14642	2.3
341.11581	8.9
341.15268	2.4
342.12320	5.6
342.16068	5.5
352.14615	3.0
353.11902	1.6
354.12357	10.0
355.13150	12.7
356.13931	19.3
356.17865	2.4
364.14786	1.7
366.16019	2.0
367.17160	7.1
368.10086	1.7
368.13882	6.7
369.10577	1.7
369.14816	7.9
370.15567	13.8
373.14639	1.6
380.14111	9.4
382.11432	2.7
382.15720	2.9
383.12396	1.8
384.13300	5.9
384.17709	8.0
386.18793	2.4
396.13559	3.6
397.14178	2.0
398.14325	14.2
398.18817	8.2
399.19696	2.1
401.13782	13.2
403.79269	1.3
410.14893	2.1
412.16623	6.9
414.14337	8.7
416.16223	4.2
426.18173	2.5
427.18625	1.7
428.15784	2.0
429.16873	6.9
430.17688	6.4
438.14526	7.2
444.19217	13.4
445.19928	3.2
456.15463	10.9
457.16400	28.1
458.17142	25.2
471.18164	1.7
472.18378	1.8
474.16656	4.2
488.17993	12.4
489.19003	100.0
490.19772	29.3
497.18079	1.5
548.21185	1.3
579.22266	4.6
597.23639	12.3
611.25104	5.1
629.25964	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	627.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.3
53.03953	9.0
55.01873	13.8
55.05510	47.4
56.05862	1.8
57.03440	10.0
57.07072	5.8
59.44270	1.5
65.03941	7.3
67.05507	96.5
69.03433	3.4
69.07070	35.3
69.18607	3.7
69.19003	17.0
71.04990	7.1
77.03915	1.7
79.05495	81.3
81.03412	4.0
81.07062	100.0
82.07378	2.3
83.04977	12.5
83.08616	19.4
85.06527	4.5
91.05483	74.6
93.07049	80.0
95.04980	11.8
95.08611	70.4
97.06533	19.8
97.10155	10.7
99.08092	2.3
100.84531	1.8
103.05464	2.5
105.04538	2.3
105.07034	57.2
107.04965	14.9
107.08596	50.9
109.06541	10.7
109.10152	31.5
111.08101	6.0
115.05477	1.6
116.06305	1.9
117.07007	19.0
119.08585	51.2
121.06541	5.6
121.10147	38.9
123.08086	6.3
123.11687	11.0
125.09632	10.1
128.06242	3.9
129.07004	8.0
131.08571	34.8
133.10133	33.9
135.08078	7.7
135.11702	15.9
137.09633	5.7
139.11197	2.8
139.95039	1.7
141.07011	3.4
142.07800	2.8
143.08585	14.4
145.06529	3.4
145.10120	33.0
145.11160	2.9
147.08069	2.2
147.11700	30.1
149.09619	15.6
149.13254	11.4
151.11195	2.9
155.08577	5.0
157.10162	13.7
159.11726	22.2
161.09621	2.6
161.13286	10.0
163.11163	10.8
163.14886	3.7
165.12791	4.0
169.10127	9.0
171.10355	2.7
171.11676	12.0
173.13246	17.0
175.14844	4.7
177.12772	1.8
179.14310	2.5
181.10165	5.1
183.11795	7.1
185.13248	9.1
187.11218	3.5
187.14833	8.3
189.11241	5.0
189.16368	2.4
191.14468	2.5
197.13333	5.9
199.14896	5.0
201.16380	3.9
205.15945	3.9
209.13237	2.3
211.14876	2.4
213.16487	3.5
215.17917	3.2
219.17442	2.5
225.09161	2.2
227.12877	4.4
229.19569	2.2
231.13747	2.1
231.17522	2.0
233.15326	2.5
239.18095	4.4
241.14262	2.0
241.19554	3.3
243.10297	2.2
243.21130	2.5
247.20560	4.1
257.19037	9.6
259.20609	2.8
261.22122	9.8
267.16016	2.2
275.20056	60.7
277.21780	3.3
293.21115	6.3
333.24167	4.2
335.25769	31.1
349.23779	19.2
374.24924	1.9
515.37170	2.1
517.40613	5.5
535.41443	5.0
553.42773	3.3
609.45148	44.9
610.46039	1.9
627.27795	3.6
627.46143	61.2
628.46075	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	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.9
55.01876	13.4
55.05270	2.5
55.05515	38.0
57.03431	7.3
57.07084	2.3
59.04974	1.8
65.03936	5.2
67.05507	97.4
69.03424	3.7
69.07068	34.5
69.61512	6.7
69.61915	3.4
71.04989	7.2
77.03944	2.2
79.05497	80.3
81.03426	2.0
81.07059	100.0
83.04984	5.9
83.08623	14.8
85.06521	3.8
86.85552	1.5
91.05484	54.0
93.07047	75.9
93.07643	3.7
95.04978	10.9
95.08612	66.5
97.06535	15.9
97.10172	9.2
98.20757	3.5
99.08082	3.9
103.05467	2.3
105.07030	51.8
106.08829	1.4
107.04954	9.5
107.08603	45.4
109.06534	9.9
109.09475	2.5
109.10162	33.5
111.08102	5.4
115.05457	3.5
117.07024	17.8
119.08590	46.2
121.06519	4.7
121.10146	37.2
123.08074	5.8
123.11705	11.7
125.09640	6.8
128.06247	1.8
129.07007	8.6
130.07813	2.7
131.08574	32.3
133.06563	1.7
133.10130	29.6
135.08051	6.5
135.11699	16.2
137.09592	7.6
139.11205	2.3
141.07033	2.2
142.07788	2.7
143.08542	11.9
145.10133	27.0
147.08037	2.9
147.11668	26.2
149.09610	16.0
149.13246	10.4
151.11217	3.6
153.12680	1.9
155.08574	4.4
155.10703	1.9
157.10147	11.5
159.11716	14.7
161.09615	3.0
161.13246	11.5
163.11205	5.9
163.14896	4.1
165.12784	5.1
169.10165	5.9
169.61250	1.9
170.41022	1.7
171.11664	9.9
173.13242	10.0
175.11223	3.6
175.14827	3.7
177.12775	3.3
179.14299	2.0
183.11734	7.4
185.13327	5.4
187.11285	2.0
187.13292	1.9
187.14865	5.9
189.11227	3.1
189.12796	1.8
189.16374	3.7
193.12297	2.4
195.11780	2.3
195.13837	2.3
197.13324	4.2
199.14886	4.8
201.16452	5.4
205.15854	2.1
207.13953	1.8
209.13280	4.3
211.14871	3.7
213.16396	3.6
219.13739	1.9
219.17558	3.7
227.12743	8.5
229.19647	2.7
233.15483	2.1
239.17923	3.1
241.14317	2.0
241.19530	3.4
243.21188	2.7
247.20671	3.2
249.55257	1.5
257.19043	8.4
259.20605	4.3
261.22232	7.1
273.18509	2.5
275.20081	63.4
277.21655	3.9
293.21185	7.3
295.52509	1.8
306.68332	1.8
317.24823	2.9
327.27209	1.9
331.22879	2.2
333.24109	3.1
335.25845	29.3
349.23767	23.8
351.25363	3.0
367.30206	1.9
515.37769	2.4
517.40833	3.7
529.38904	3.6
535.41534	6.0
553.42493	4.9
555.40637	2.8
591.44244	2.9
609.45038	37.2
627.46210	60.1
628.46185	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74374	2.9
53.03954	5.8
55.01865	4.5
55.05260	4.0
55.05513	36.1
55.34042	2.2
57.03437	11.8
57.07077	8.0
61.68218	2.4
62.08330	2.4
65.03954	3.6
65.85433	2.2
67.05508	72.9
69.07079	32.9
71.04996	3.5
71.08243	3.7
71.08636	72.8
71.51987	3.7
72.75529	2.5
79.05500	63.7
81.03425	7.4
81.07066	77.5
83.04981	6.8
83.08630	16.1
85.06561	4.6
89.06065	3.0
91.05490	71.2
93.07050	73.0
95.04969	12.6
95.08004	2.5
95.08611	50.8
97.06543	10.9
97.10190	9.5
99.08099	48.1
105.07037	59.5
107.04998	5.6
107.08603	39.4
109.06564	6.3
109.10153	22.7
111.08119	3.7
113.09646	4.8
117.07003	19.6
119.08591	53.0
121.06499	2.9
121.10138	24.2
123.08110	4.9
123.11732	7.9
125.09673	2.7
125.16290	2.5
127.11292	3.7
128.06230	5.0
129.07050	19.2
130.07892	2.8
131.08577	36.6
133.10138	39.5
135.08093	3.4
135.11708	25.2
137.09628	4.6
141.06999	7.0
143.08563	22.2
145.10129	36.2
147.08070	3.1
147.11705	26.8
149.13316	13.7
151.11208	18.2
155.08598	9.7
157.10172	18.3
159.11726	25.7
161.09610	3.1
161.13252	30.2
163.11270	7.1
163.14920	3.2
165.12804	2.7
167.08690	3.5
168.09412	4.5
169.10158	14.2
171.11707	19.3
173.11786	7.7
173.13298	21.3
175.11263	2.7
175.14909	15.7
177.12784	4.9
179.14323	31.9
181.10165	9.4
183.11707	11.9
185.13271	17.8
187.14874	9.0
189.11304	2.7
195.11739	6.4
197.13332	7.7
199.14911	11.1
201.16484	4.8
209.13292	6.3
211.14937	4.9
213.16492	4.0
215.18018	3.8
217.19630	3.3
219.17418	6.3
221.13374	3.4
223.14893	6.5
231.21173	4.1
237.16483	4.0
239.18040	6.8
241.19518	24.9
252.31277	2.7
257.18970	5.8
259.20618	32.5
273.18484	3.2
275.20160	8.7
277.21661	31.5
293.21341	7.5
315.23355	6.9
333.24359	13.2
335.26105	6.9
337.25217	2.9
342.78809	2.6
349.23990	6.3
351.25308	32.6
419.33173	7.0
421.31009	4.2
435.32813	6.0
437.34137	24.7
455.35510	5.6
493.36801	3.4
497.24344	2.9
511.38104	14.1
513.35663	7.7
517.40527	8.6
527.37622	4.1
529.38940	6.4
535.41827	12.1
539.25488	5.4
553.42584	5.2
581.60248	2.6
599.28210	3.4
609.45154	71.9
610.45740	3.0
627.27917	7.4
627.46234	100.0
627.66302	4.4
628.46454	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.3
55.01869	2.2
55.05273	1.3
55.05515	17.5
57.03442	15.2
57.07079	1.3
65.03933	2.0
67.05509	46.1
69.03422	1.2
69.07071	9.7
69.16914	7.1
71.04977	1.4
77.03909	0.8
79.05498	34.9
81.03406	1.6
81.07060	42.6
83.04971	2.5
83.08624	5.5
85.06522	2.4
91.05486	40.1
93.07050	40.8
95.04984	5.2
95.08616	32.3
97.06546	2.9
97.10184	2.3
99.04442	3.1
99.08089	1.6
105.04537	1.0
105.07038	25.8
107.04941	3.0
107.08601	16.6
109.06518	4.0
109.10166	10.8
111.08089	2.5
113.09644	1.1
115.05457	1.4
117.07031	13.2
119.08588	19.5
121.06490	2.9
121.10152	13.6
123.08056	2.4
123.11699	2.3
127.15037	0.6
128.34306	0.7
129.07004	3.3
131.07616	0.9
131.08575	17.5
133.10129	13.1
135.08051	1.9
135.11688	8.2
137.09630	2.2
143.08554	2.8
145.10121	10.2
147.11679	6.5
149.09619	3.4
149.13264	2.9
151.11197	1.3
157.10165	2.9
159.11711	7.0
161.13214	2.7
163.14760	0.8
165.12772	0.9
169.10117	1.1
171.11691	1.7
173.13272	4.1
175.14825	2.2
185.13264	2.3
187.14890	1.0
201.16377	3.4
203.14383	2.2
219.17448	100.0
220.17781	1.1
242.59309	0.8
257.19006	2.8
261.22195	1.8
275.20056	17.2
291.19354	0.9
293.21170	1.8
335.25821	60.5
349.23663	8.9
430.80438	0.9
549.70087	0.8
555.39832	1.3
609.45190	28.8
627.45868	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	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40277	2.0
53.03936	7.2
55.01876	16.8
55.05518	39.4
57.03437	14.6
57.07040	4.5
59.04984	2.7
59.14829	1.8
63.38809	1.8
65.03944	4.4
67.05508	90.3
69.03410	3.2
69.06727	3.0
69.07069	37.7
70.63193	3.9
71.04976	7.4
71.87592	1.8
77.03917	2.6
79.05495	78.4
81.03417	4.7
81.07056	100.0
83.04970	6.5
83.08232	1.7
83.08632	20.5
85.06564	3.7
91.05483	63.2
92.05724	1.7
93.06488	3.9
93.07048	68.0
95.04957	11.7
95.08609	63.2
97.06535	22.1
97.10179	11.6
99.08100	4.3
99.20922	2.0
103.05404	2.4
105.04541	2.2
105.07031	59.2
106.53634	1.6
107.04962	11.2
107.08603	51.3
109.06516	8.0
109.10159	30.8
111.08066	5.2
115.05447	4.0
117.07010	21.6
119.07814	3.3
119.08587	43.6
121.06496	5.3
121.10163	29.7
123.08075	4.5
123.11707	13.2
125.09638	8.5
128.06186	2.3
129.07013	13.6
131.08578	40.0
133.06500	3.0
133.10146	39.0
135.08043	5.2
135.11705	17.5
137.09618	6.2
141.06946	6.0
142.07611	2.6
143.08540	13.0
145.10136	33.3
147.11703	23.4
149.09615	19.9
149.13289	11.1
151.11172	5.1
155.08502	11.2
157.10130	15.5
159.07925	2.0
159.11691	30.3
161.09573	3.3
161.13274	13.3
163.11209	7.6
163.14783	5.7
163.43533	2.1
167.08643	2.1
169.10118	8.2
171.11681	15.5
173.09581	1.9
173.13260	16.7
175.14807	3.7
177.12692	2.6
179.14212	3.9
181.10089	3.5
183.11700	8.5
185.13263	11.1
187.11159	1.9
187.13292	3.7
187.14850	7.1
189.11264	4.9
189.12807	2.3
195.11757	4.0
197.13258	6.4
199.14842	4.4
201.16391	3.9
203.14217	2.2
205.15604	1.8
209.13293	2.3
211.14836	5.8
213.16452	4.7
215.18015	2.8
219.13898	1.8
219.17381	5.9
225.16356	3.0
227.12790	6.8
227.17868	2.7
229.19580	4.5
239.17883	7.4
241.19501	4.0
243.21011	3.0
247.20532	2.5
257.19086	11.6
259.20639	5.3
261.22162	7.0
267.15970	2.5
275.20068	60.2
277.21722	4.0
285.22058	2.3
293.21152	6.3
333.24219	4.8
335.25851	37.4
349.23737	22.6
351.25388	2.7
367.29926	3.9
377.16315	2.2
430.39328	2.1
441.33130	2.0
490.87845	2.3
515.36945	4.6
517.39771	5.1
529.38715	5.1
535.41382	8.5
553.42554	4.4
555.40094	7.6
609.36200	3.3
609.45190	47.5
627.46198	54.9
629.99225	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	627.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.1
55.01871	8.0
55.05521	29.4
56.00293	1.8
57.03443	14.2
57.07083	4.6
65.03948	7.3
67.05511	91.0
69.03452	2.9
69.07071	26.6
71.04995	6.2
71.08639	2.8
71.12592	4.0
79.05502	69.1
81.03400	3.7
81.07060	100.0
83.04993	6.5
83.08627	14.3
85.06535	4.2
91.05489	69.7
93.07053	69.5
94.87127	2.3
95.04973	9.6
95.08614	67.5
97.06539	12.0
97.10159	4.5
97.17677	2.2
99.08125	3.5
103.05499	2.3
105.04554	2.4
105.07046	56.6
107.04975	10.9
107.08604	42.9
109.06525	8.3
109.10164	27.0
111.08098	4.2
115.05472	4.0
117.07024	19.1
119.08607	41.8
121.06503	5.8
121.10146	28.7
123.08093	6.9
123.11747	9.9
125.09671	2.5
129.07014	7.0
131.08580	32.7
133.10139	30.1
135.08052	5.5
135.11665	15.2
137.09630	4.7
141.06943	4.1
143.08577	8.8
145.10149	24.3
147.08092	2.3
147.11681	19.5
149.09592	11.7
149.13258	10.1
151.11241	3.1
155.08560	5.0
157.10167	6.5
159.11694	18.2
161.09706	3.0
161.13252	7.5
163.11189	4.7
165.12807	5.3
169.10191	5.0
171.11717	7.1
173.13261	9.9
175.11269	2.8
175.14876	3.9
177.12837	4.9
178.22519	2.1
183.11716	4.3
185.13306	6.5
187.14778	5.1
197.13318	5.7
199.14867	2.9
201.16380	6.1
203.14366	3.6
211.14899	3.1
219.17465	73.9
229.19502	4.4
239.17918	4.6
247.20689	3.3
257.19043	8.3
259.20428	3.8
261.22147	5.6
267.15906	4.4
275.20093	49.6
293.21164	5.7
333.24255	4.5
335.25845	67.0
349.23776	27.0
529.38794	4.9
535.41272	3.0
553.42688	2.7
555.40552	3.4
585.26825	5.8
609.45288	37.0
627.26941	4.9
627.46191	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.8
53.03940	7.5
53.59365	1.8
55.01875	16.9
55.05512	38.7
57.03441	19.8
57.07064	5.7
65.03944	8.4
67.05507	95.7
69.03423	4.9
69.07073	32.7
71.04990	5.7
71.08636	3.3
72.12493	1.9
79.05496	73.2
80.05840	2.2
81.03433	4.5
81.07057	100.0
83.04987	6.4
83.08627	20.5
85.06541	5.2
91.05480	74.0
93.07043	71.1
94.07371	3.3
95.04972	11.5
95.08607	68.2
96.08932	2.2
97.06537	25.1
97.10174	11.8
99.08108	8.2
105.04538	3.4
105.07030	60.0
107.04970	13.3
107.08599	51.2
109.06524	13.0
109.10163	27.9
111.08088	5.2
113.09649	3.6
115.05453	3.1
117.07034	27.4
119.08584	48.0
121.06532	3.3
121.09318	3.3
121.10146	30.1
123.04461	2.2
123.08065	5.5
123.11714	15.0
125.09652	5.5
128.06189	4.9
129.07005	17.0
130.07758	3.3
131.08574	40.7
133.10133	32.7
135.08067	3.9
135.11697	20.2
137.09633	4.3
137.13312	2.7
141.07024	5.4
142.07849	4.0
143.08545	22.8
144.09406	2.8
145.06453	2.7
145.10123	36.7
147.08086	2.6
147.11703	27.1
149.09647	20.1
149.13249	11.5
151.11203	6.5
152.93274	2.2
155.08578	10.6
156.09213	2.7
156.61961	1.9
157.10110	21.6
159.11694	27.3
161.13271	14.6
163.11209	11.4
163.14801	2.5
165.12778	2.1
167.08572	2.4
169.10097	12.9
171.11696	17.2
173.13257	19.3
175.11191	3.2
175.14873	5.6
177.12761	4.0
181.10149	4.7
183.11728	11.6
185.13283	16.4
187.14877	9.9
189.16498	4.1
191.14339	2.7
195.11714	3.9
197.13301	9.4
199.14825	9.3
201.16475	7.5
203.14313	4.3
206.52611	2.0
207.11662	2.4
209.13297	4.7
211.14891	6.3
213.16434	6.0
215.17917	4.2
219.17435	11.4
221.13293	2.2
223.14778	2.8
225.16391	4.2
227.12868	7.5
227.18057	4.2
229.19507	4.0
231.17624	2.4
239.18071	6.2
243.21054	3.5
247.20708	3.3
257.19092	10.6
259.20615	8.1
261.22202	4.9
267.15982	4.4
273.18472	3.5
275.20074	63.2
277.21649	3.9
291.19522	3.3
292.19901	3.5
293.20969	7.3
333.24545	4.5
335.25827	37.1
349.23761	26.5
351.25864	2.7
355.26471	2.2
367.30301	3.7
373.15875	2.0
395.29272	2.1
421.30960	2.2
427.32355	2.2
463.35724	2.4
465.01559	2.5
515.37579	10.8
517.40533	9.3
529.38885	4.4
535.41180	10.9
553.42175	5.1
555.40161	15.6
591.44263	2.7
609.45123	61.2
627.46063	83.6
628.46484	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	627.2819
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
51.95287	0.6
55.05510	1.9
60.87703	0.6
65.03946	0.8
67.05506	2.8
69.03428	0.8
69.07069	1.3
71.52001	0.6
79.05492	2.4
81.03430	0.8
81.07059	2.5
83.04988	2.0
91.05492	2.8
93.07053	2.2
95.08620	2.6
97.10208	0.8
105.07050	1.6
107.08620	1.6
108.08242	0.6
109.10144	1.0
117.07030	1.4
119.08620	1.7
121.10188	1.0
129.06946	0.7
131.08575	1.3
133.10143	1.7
143.08580	1.5
145.10159	2.4
147.11678	1.1
155.08603	0.8
157.10132	1.5
159.11696	1.1
169.10123	0.7
181.50038	0.7
184.09824	0.6
185.10825	0.8
196.09868	0.9
209.10689	0.9
210.11540	0.8
211.12292	1.4
223.12184	1.0
224.13136	1.2
225.13936	2.4
227.11908	0.8
237.13968	1.1
238.14745	1.6
239.11862	1.1
239.15442	2.5
249.13959	1.5
253.13519	0.8
265.19818	0.6
275.20184	1.4
304.18311	0.7
307.11069	1.0
316.18210	0.8
317.15771	0.9
318.16135	1.2
319.16702	0.9
330.16016	0.9
332.17749	1.4
341.15262	1.1
349.24152	1.1
354.12442	0.6
375.19501	1.1
378.18820	0.9
379.19254	1.2
384.16983	1.6
389.21301	1.1
391.19418	1.4
392.19815	1.8
393.20718	2.8
401.17783	1.1
403.19434	2.8
404.19977	1.4
405.20883	2.3
406.21475	1.8
407.22122	3.9
408.23135	3.6
412.16968	1.1
415.19275	1.9
416.20380	1.6
417.20840	3.9
418.21515	2.1
420.23505	3.8
426.18692	0.7
429.20947	2.0
430.21530	2.3
431.22455	2.4
433.24380	3.7
435.21875	1.3
444.18823	1.2
445.19449	1.3
445.24329	1.9
446.24930	1.4
447.25571	1.8
449.23721	1.7
457.20209	1.0
459.20932	3.8
460.22665	2.5
461.19180	1.3
462.20374	4.0
463.21152	3.7
473.23489	4.0
474.24240	2.7
475.21158	3.7
476.22134	2.1
477.22885	15.3
478.23657	1.0
487.24768	4.3
489.23099	0.9
490.23706	1.3
491.24539	6.2
492.25275	2.5
503.24176	1.2
505.25839	1.6
509.25134	1.4
515.24591	3.3
517.21918	0.8
518.23145	1.5
521.21588	3.1
531.23907	4.2
532.24817	0.8
533.18231	1.2
533.25555	14.4
535.23669	8.9
536.24158	14.5
549.25281	3.2
550.25543	2.3
551.26593	2.6
559.22943	0.9
563.26465	2.1
565.28143	8.7
567.25458	0.8
577.24518	15.1
591.26031	12.5
595.25507	7.4
602.08160	0.8
609.27094	100.0
610.27423	1.6
612.25024	1.2
627.27600	13.5
627.37531	1.4
627.46277	1.2
651.36353	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2819
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.05518	1.4
67.05505	1.7
79.05508	0.9
81.07069	1.2
85.52988	0.8
91.05506	2.0
93.07087	1.8
94.06609	0.9
95.08617	1.1
98.21547	0.8
105.07034	1.4
118.37267	0.8
120.04457	0.9
121.10176	0.8
122.06072	1.2
128.06274	1.0
129.06963	0.8
136.07632	1.7
141.07057	0.8
144.08121	0.9
145.10120	1.1
146.09705	1.2
172.07593	1.5
174.09192	5.1
174.10544	0.9
182.73599	0.7
184.07774	1.1
185.07066	0.8
187.08690	1.8
187.12321	5.3
188.10855	3.2
198.09203	1.6
201.13446	0.8
211.08749	2.9
212.09448	1.5
213.10313	1.4
215.11856	3.0
223.08643	1.1
223.12357	0.8
224.09486	1.1
225.10266	4.7
226.10959	1.3
227.11749	4.0
235.08780	2.1
237.10406	1.4
239.11929	2.8
241.13509	3.2
242.11584	0.8
243.11319	28.0
249.10329	2.1
250.11139	1.3
251.11978	2.3
252.09079	0.9
252.12605	1.2
253.09808	2.3
253.13358	1.4
263.11938	1.6
267.11346	7.9
269.13052	2.7
277.09827	2.9
284.11554	0.8
285.12646	2.3
291.11450	1.5
295.10959	3.3
301.12463	1.7
301.15704	4.2
309.12466	2.6
314.13019	1.9
315.13760	1.3
316.10959	1.2
316.14493	1.4
317.11856	0.9
319.10797	1.8
325.15543	8.7
327.13397	6.5
328.10846	2.2
328.14578	2.0
329.11707	1.3
329.15363	1.2
330.12512	2.6
330.16074	1.1
334.15628	2.1
340.14584	0.9
342.12415	4.7
342.16107	1.0
343.13120	3.8
344.14026	4.8
344.17664	1.2
345.14862	2.0
346.15744	3.1
348.13425	4.2
351.13498	1.3
353.15439	0.9
354.12448	1.3
355.13281	0.9
356.10309	0.8
356.13852	4.0
357.14920	1.7
358.15588	4.0
359.16400	0.8
362.15170	1.0
368.14377	1.2
370.15778	2.4
371.12289	1.0
371.16653	1.3
372.17117	5.4
373.13995	0.9
373.18210	1.0
386.14633	1.4
386.18872	2.3
393.13675	1.0
400.16748	3.0
403.16443	1.3
407.15613	1.5
409.20728	0.9
412.16986	1.6
416.15994	1.3
418.17834	1.0
420.16864	1.1
422.17599	1.0
428.16055	0.9
430.17899	1.6
431.18939	1.6
432.19321	3.8
434.18591	0.9
435.14413	2.2
437.19965	2.7
444.19540	1.1
447.22052	2.2
449.20145	2.6
450.21512	1.2
451.17776	3.2
460.18878	1.5
461.24078	1.8
462.24014	2.8
463.22369	4.4
465.18866	13.0
476.20255	0.8
477.19315	1.3
478.19785	1.9
479.20316	4.9
480.21823	3.4
481.22125	3.9
489.23123	1.5
490.20685	1.3
491.21307	2.2
492.21484	4.1
493.23044	4.6
504.21417	2.9
507.24124	4.9
508.21017	1.7
517.22784	3.3
520.20972	1.1
521.25720	0.9
535.23560	7.5
537.21722	0.9
541.24286	1.3
549.24994	14.2
552.23602	1.4
553.24658	2.8
563.22791	1.1
567.26086	69.3
568.26361	1.0
577.24890	1.7
581.28107	1.2
595.25488	51.4
596.25903	1.7
609.27478	1.9
622.75177	0.9
627.28210	100.0
628.28668	2.5
654.62708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05413	1.8
57.03360	0.9
57.03606	0.5
67.05397	4.5
67.05788	0.8
69.06985	0.9
74.19086	0.4
79.05376	4.9
81.06939	6.1
83.08539	1.1
91.05354	4.4
93.06915	4.7
95.04915	0.9
95.08476	3.6
97.06416	0.8
98.20617	0.7
98.52077	0.4
105.06886	3.3
107.08466	2.5
109.06397	0.7
109.10071	1.1
117.06892	1.4
119.08435	2.3
120.07998	0.6
121.10011	2.0
123.11614	0.9
129.06955	0.8
130.06334	0.7
131.08559	2.3
132.08055	0.5
133.10005	1.7
135.07968	0.7
135.11586	1.1
143.08440	0.7
144.07967	0.4
145.09969	1.3
147.11627	1.1
149.09529	0.6
154.48582	0.5
157.10007	0.8
159.11554	1.4
165.12473	0.5
171.09082	0.6
173.13101	0.9
189.10226	0.9
197.37138	0.5
209.10699	0.8
219.17422	4.5
221.10590	1.2
223.12166	1.5
224.12939	0.6
225.13785	0.8
233.10603	0.8
234.11292	0.8
235.12161	2.0
237.13786	0.9
238.14571	0.8
249.13907	0.8
251.15273	1.2
257.18973	0.7
259.20392	0.6
262.13269	0.5
274.13501	0.7
275.20068	3.4
276.15027	0.9
290.12958	0.9
291.13647	0.5
300.14966	0.8
304.14206	0.6
306.15604	0.5
318.15930	1.8
326.16302	1.1
335.25839	2.8
338.16187	1.0
339.16089	1.5
340.17889	1.7
349.23602	1.5
350.16354	0.7
351.16196	1.2
352.17783	2.0
353.13983	0.5
353.17706	3.9
354.18878	1.4
363.16083	0.8
365.17883	1.5
366.18915	1.8
367.15216	1.1
367.19220	3.5
368.20605	1.2
369.21396	0.5
377.17776	1.1
378.19183	0.6
379.19385	2.7
380.20618	0.7
381.16403	2.7
381.21387	2.7
382.17734	1.5
382.21881	1.2
383.17960	1.0
383.22668	2.5
393.16864	1.6
393.21268	0.9
394.17548	0.8
394.22073	0.7
395.18204	2.8
395.22739	1.2
396.19424	1.3
397.20444	3.2
405.17227	0.7
406.17792	0.9
407.18512	1.8
408.19714	0.7
409.20364	3.6
410.21423	2.4
411.17020	0.8
411.22202	5.4
412.22281	1.7
421.20096	1.4
422.21182	2.9
423.16733	0.8
423.22470	4.2
424.22766	3.3
425.19669	8.3
426.21536	0.7
436.22766	0.8
437.23337	3.4
438.19855	3.0
439.21194	6.6
440.22040	4.3
441.22870	1.4
451.21140	0.9
452.22180	1.0
453.22464	3.1
454.24457	2.6
455.20316	0.8
467.24762	1.2
468.25174	1.0
469.21722	2.0
469.26227	2.2
470.23056	2.2
481.21902	3.0
482.23083	1.8
483.18991	0.8
483.23712	2.7
493.22275	1.0
495.24146	1.3
496.24866	2.5
497.26428	12.7
498.26831	3.9
509.25726	1.5
510.26324	0.7
511.23260	1.7
523.27020	0.7
525.25189	2.6
526.25830	2.6
539.26697	0.6
540.27008	0.7
541.28259	11.9
542.28894	0.6
551.26440	2.1
556.23145	0.8
557.27509	1.1
569.23914	1.3
583.29218	16.6
584.26147	12.1
585.27087	100.0
586.27454	3.1
599.28394	0.7
609.45227	3.4
627.28125	46.1
627.45538	2.2
628.28564	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2812
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
51.48359	0.5
55.05516	1.1
60.89425	0.5
67.05494	2.9
69.07075	1.1
71.51647	0.8
79.05481	1.2
81.07041	1.6
83.04974	1.0
83.08609	0.8
83.13869	0.6
91.05479	1.9
93.07052	1.4
95.08614	1.5
105.07035	1.8
107.08605	1.4
109.10162	1.0
119.08581	1.5
131.08495	0.8
133.10136	0.7
135.11728	0.6
143.08566	0.9
145.10138	0.8
146.10402	0.8
161.05962	0.8
171.11713	0.6
199.11266	0.9
231.13809	1.2
233.93080	0.6
324.25717	0.6
391.19409	1.0
393.20825	1.9
394.21771	1.1
395.22363	0.8
405.17099	2.2
406.17566	0.9
407.17816	1.4
407.22794	3.8
408.23334	0.9
419.18509	3.1
420.19473	1.7
421.20142	4.6
433.20215	4.7
434.21326	4.8
435.22107	5.9
447.22214	1.0
449.19760	7.0
463.21304	2.8
464.22153	1.7
467.24149	0.8
479.20978	2.5
481.22424	1.8
493.22443	2.1
494.23022	2.7
495.23807	2.4
507.24210	10.2
535.23083	0.8
539.22882	3.0
549.24829	1.2
553.24200	0.8
567.26068	17.7
568.26764	0.9
609.26978	0.9
626.44739	0.9
627.28149	100.0
628.28497	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	626.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82961	0.4
53.03940	0.4
54.02271	0.3
55.01850	0.5
57.03432	0.5
60.46337	0.4
69.03420	1.4
69.53855	2.8
79.05450	0.6
81.03414	1.3
84.72852	0.4
85.02917	2.9
87.00822	1.3
91.05479	1.9
93.07072	0.4
97.02890	0.9
99.04470	0.5
103.05469	6.3
104.75705	0.4
105.07040	0.7
109.02860	0.5
115.05507	1.0
117.07019	1.8
117.07772	0.5
117.24479	0.4
119.04990	0.7
121.06500	1.0
122.03654	1.4
123.08059	0.6
127.03922	1.0
128.06264	0.6
131.04938	14.6
133.06447	0.7
135.08037	0.7
137.05984	19.8
143.08636	0.6
145.04918	0.4
145.06477	0.7
147.07968	0.5
149.06001	0.4
149.09634	0.4
151.03986	0.4
151.07559	5.8
159.08090	0.5
161.06018	2.2
162.06750	2.3
163.07558	39.1
164.07851	0.7
171.08080	0.5
175.07541	2.7
177.09119	100.0
178.09464	1.7
189.09134	0.9
195.08334	0.6
195.10182	2.9
201.43329	0.4
203.10762	0.5
203.97505	0.3
219.10269	0.5
221.11731	17.8
223.07768	0.6
225.09047	0.4
227.10709	0.7
250.96388	0.4
255.10216	0.5
262.09848	0.5
265.08621	0.7
287.12704	0.9
293.11920	0.5
299.00375	0.4
299.12784	1.5
303.20645	0.4
308.09750	0.5
311.12714	2.2
331.15390	3.4
343.15381	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	625.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02341	2.5
53.03944	7.5
55.01868	5.4
55.05274	2.9
55.05519	43.3
57.03434	8.4
57.07075	6.7
59.05015	1.9
65.03941	7.5
67.05512	80.9
69.03419	3.7
69.07070	30.1
69.87543	9.0
71.04998	6.2
71.08636	4.0
77.03910	2.1
79.05502	73.8
81.03447	2.4
81.07064	93.3
83.04981	8.3
83.08615	18.1
85.06549	4.6
89.06044	4.5
91.05489	97.3
93.07055	74.8
95.04967	15.4
95.08617	54.5
97.06538	8.3
97.10197	9.0
97.48137	1.6
99.08090	2.0
103.05459	4.7
105.04508	4.6
105.07043	84.5
107.04942	6.5
107.08603	37.2
109.06528	9.6
109.10172	19.3
111.08099	4.7
113.09572	2.1
115.05470	10.8
116.06239	6.3
117.07030	62.0
117.90049	1.8
119.04959	2.5
119.08593	43.1
121.06505	6.8
121.10146	24.4
123.08070	8.5
123.11736	3.3
125.09639	5.5
128.06236	30.1
129.07021	33.9
130.07776	11.8
131.08583	87.8
133.06503	9.6
133.08624	3.6
133.10147	26.7
135.08080	5.7
135.11728	15.5
137.09645	2.6
139.11139	3.1
141.07008	13.2
142.07811	9.0
143.08577	88.3
144.09389	2.1
145.06454	3.6
145.10141	100.0
147.08022	8.3
147.11728	13.9
149.09631	5.2
149.13237	5.2
151.11142	2.4
153.07057	2.1
154.07726	2.8
155.06046	2.1
155.08540	9.9
156.09344	1.7
157.10149	30.1
159.08052	6.0
159.11716	28.6
161.09613	13.2
161.13248	6.9
163.11168	4.7
163.14822	2.5
165.07077	3.6
166.07803	3.9
167.08571	8.3
169.10152	19.3
171.11736	22.4
173.09622	5.3
173.13252	5.3
175.09752	2.3
175.11246	6.7
177.12740	3.0
180.09428	2.9
181.10088	14.2
183.11691	10.5
185.09715	1.9
185.13315	10.1
187.11192	3.4
187.14842	5.7
189.12917	2.3
193.10188	2.3
195.11691	22.8
197.13173	2.7
199.11177	4.3
199.14821	2.7
201.12778	3.7
209.13275	4.7
211.14778	5.6
213.12811	3.6
213.16316	3.0
217.15811	2.5
227.17926	9.7
231.13799	2.8
235.14893	2.4
237.16440	21.6
241.14401	4.8
245.18977	7.2
255.17419	22.5
257.18829	2.2
261.22217	4.0
273.18527	68.1
274.18713	2.0
291.19604	5.1
314.09161	2.0
329.21201	2.2
335.25833	58.6
347.22076	19.0
390.39978	1.8
515.38977	2.0
537.24701	4.1
538.25830	1.9
597.27008	3.8
607.43567	23.2
622.34143	2.0
625.26648	4.5
625.44855	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	625.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.0
55.01880	11.3
55.05515	32.3
57.03441	11.4
57.07090	4.5
65.03942	5.0
67.05511	69.7
67.93496	1.9
69.03425	2.7
69.07069	29.6
69.25541	3.5
69.25943	16.6
71.04997	7.3
72.92577	1.9
73.06509	2.0
79.05065	3.8
79.05501	48.6
81.03436	3.4
81.07066	66.9
83.04977	11.7
83.08629	14.9
84.50202	2.2
84.93658	2.1
85.06538	5.2
91.05496	51.9
92.05812	1.8
93.07054	54.8
95.04978	7.8
95.08614	52.0
95.09182	3.9
97.06548	10.9
97.10190	9.0
98.39742	1.8
99.08102	3.4
102.75590	2.2
105.07038	44.7
107.05006	2.6
107.08612	31.2
109.06525	6.7
109.10162	24.0
111.08080	4.7
115.05475	3.2
117.07016	23.9
119.08582	42.0
121.06564	2.8
121.10160	24.8
123.08102	4.7
123.11725	5.7
125.09647	8.0
128.06259	4.8
129.07027	21.7
131.08582	34.6
133.06529	3.6
133.10124	23.7
135.08086	4.5
135.11723	9.0
137.05998	2.6
137.09712	3.0
139.11200	2.3
141.06979	10.8
142.07797	4.7
143.08583	26.8
145.06609	3.7
145.10144	30.7
145.11200	3.5
147.08075	5.0
147.11691	17.9
149.09656	6.4
149.13277	5.8
151.11165	2.2
154.07774	3.6
155.08568	19.4
157.10136	23.5
159.11732	23.8
161.09634	4.6
161.13257	10.4
161.55870	2.1
163.11162	3.6
165.07031	2.8
167.08617	7.5
169.10153	22.1
170.10910	2.9
171.08249	3.3
171.11699	20.0
173.09686	3.9
173.11926	3.3
173.13309	15.0
175.11319	3.6
175.14877	3.9
177.12698	3.4
179.08601	4.7
181.05049	2.7
181.10141	11.4
183.11716	18.3
185.13290	16.5
187.11316	3.2
187.13301	3.0
187.14891	7.0
189.09354	2.2
189.11220	4.2
193.10211	5.1
195.11697	13.9
196.12505	2.7
197.13251	16.4
199.11211	3.6
199.14769	11.4
201.16385	3.1
203.14333	2.6
207.11842	4.9
209.13283	8.8
211.14890	9.4
213.12903	2.4
213.16533	4.5
215.17914	2.5
217.15936	2.2
221.13356	5.4
223.14915	7.9
225.16492	3.9
227.12819	3.1
227.18050	3.7
235.14833	2.7
237.16454	5.2
239.18013	5.5
241.19653	6.7
251.18079	3.7
257.18961	2.8
259.20715	6.3
265.19513	2.9
273.18719	4.5
275.20248	12.4
297.22269	2.8
313.21713	2.5
315.23080	2.3
327.22916	2.7
333.24460	3.9
345.24194	2.5
349.23981	3.4
365.28543	4.5
371.26053	2.3
381.31635	3.3
392.37079	2.5
421.31226	4.8
495.34653	2.6
513.35883	17.2
514.35779	2.8
515.38757	10.9
527.37506	4.5
533.40155	14.0
551.40845	12.2
553.39392	4.8
569.42340	3.1
589.42407	4.1
607.43646	53.4
625.26910	8.0
625.44714	100.0
626.44806	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.5
55.01872	5.7
55.05264	2.8
55.05514	32.1
57.01262	1.6
57.03440	38.9
57.07074	4.9
57.80421	1.5
65.03949	3.0
67.05508	68.6
69.03446	2.0
69.06737	2.0
69.07077	30.2
69.66647	11.6
71.04983	4.8
77.03904	1.9
79.05496	58.2
81.03421	3.7
81.07061	66.9
83.04961	5.0
83.08627	16.1
85.06542	7.8
91.05483	67.5
93.07047	56.9
95.04976	7.5
95.08611	50.0
97.06550	7.4
97.10175	6.5
98.20814	1.7
99.04475	4.1
99.08101	5.5
105.04554	1.9
105.07036	57.2
107.04981	4.6
107.08596	33.9
107.09309	2.5
109.06512	12.8
109.10157	17.1
111.08087	5.9
115.05466	4.7
116.62260	1.5
117.07021	28.6
119.08587	46.5
121.06536	3.3
121.10148	23.9
123.08122	4.5
123.11740	6.3
125.09635	5.2
128.06224	6.8
129.07004	29.9
130.07782	1.8
131.07047	5.2
131.08568	44.8
133.10141	30.6
135.08075	6.7
135.11696	14.5
137.09668	3.2
141.06956	10.1
142.07846	4.0
143.08569	32.6
145.10130	41.2
147.08038	3.2
147.11716	17.6
149.09615	5.1
149.13264	7.8
153.07069	4.0
153.12679	1.9
154.07838	2.3
155.08575	22.9
156.09351	3.3
157.10141	31.4
159.11702	28.9
161.09615	4.0
161.13261	10.9
163.11227	3.5
165.07025	2.3
167.08588	10.1
168.09341	4.5
169.07141	2.2
169.10144	29.8
170.10794	2.6
171.11700	23.6
173.09634	3.3
173.13275	17.4
175.11200	3.2
175.14857	5.4
177.12781	3.1
178.85699	1.7
179.08575	5.2
180.09357	3.0
181.10138	18.9
182.10939	2.4
183.11722	24.9
185.13255	16.5
187.14857	6.9
189.12825	2.9
193.10181	4.9
194.10889	2.1
195.11719	14.5
196.77519	1.9
197.13277	15.9
199.11099	1.7
199.13264	2.3
199.14761	11.8
201.12834	2.5
201.16452	4.2
205.10139	1.7
207.11739	4.9
209.13257	13.1
211.14854	9.2
213.16422	6.0
215.18053	2.4
219.11673	2.1
219.17461	32.5
219.80557	1.7
221.13211	8.2
223.14830	10.9
225.16451	7.0
227.17972	3.0
235.14838	4.3
237.16409	6.9
239.18047	3.7
241.19612	6.5
245.18857	2.0
249.16341	3.8
251.17993	3.3
257.19061	5.9
259.20569	12.1
273.18561	6.3
275.20139	23.0
291.19644	2.7
297.22318	2.7
299.23575	3.6
311.20358	2.3
311.23859	3.4
313.21817	1.8
313.25455	2.6
315.23297	4.6
321.22098	3.3
323.23740	5.6
333.24304	19.4
334.00165	2.2
337.25220	4.5
341.24832	2.2
344.97702	1.8
347.22263	2.4
349.23737	11.4
351.27005	2.9
353.24802	3.1
355.26309	2.2
363.27133	2.5
367.26233	4.3
377.28592	3.6
381.27725	2.5
421.30786	1.8
443.33060	2.9
455.82275	1.6
459.36356	4.9
461.34152	7.1
475.35870	4.0
477.37476	12.6
495.38257	4.1
497.37329	2.4
513.35864	3.1
515.39117	12.7
527.37225	6.6
533.39972	15.1
535.38031	5.6
541.38922	3.3
551.41132	13.9
553.38843	23.8
567.40631	4.2
569.42242	3.9
607.43549	51.3
608.43201	1.9
625.44604	100.0
626.45026	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	625.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47633	1.3
68.27657	1.0
69.74117	6.9
70.41919	1.1
72.17832	1.1
75.04488	2.5
91.67808	1.1
95.08602	1.5
101.31717	1.0
103.64540	1.0
107.08578	1.1
111.10384	1.0
236.99702	1.1
361.49066	1.1
377.17657	1.5
405.21246	2.1
407.22601	2.0
419.14557	1.5
421.20242	1.3
428.97147	1.5
432.19647	1.3
433.16721	3.5
434.17343	4.1
435.17346	5.3
447.17038	1.5
447.22015	3.2
448.19070	4.1
449.19083	7.6
452.51642	1.4
463.21207	32.5
475.21265	16.4
476.21756	1.8
477.22879	4.8
490.23724	10.6
491.20544	6.7
501.22470	1.6
518.23468	1.8
519.24182	2.5
522.26733	2.1
523.27148	2.1
535.23724	2.2
551.26575	19.8
578.25055	9.6
593.27454	8.4
625.30255	100.0
626.31116	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13524	1.6
53.03952	5.1
55.01879	6.9
55.05516	32.1
57.03445	13.1
57.07071	2.9
60.32104	1.5
61.43855	1.6
62.48182	1.6
64.02147	1.5
64.80479	1.7
65.03942	4.1
67.05511	58.6
69.03423	2.8
69.07075	22.4
71.05001	4.7
71.08642	1.9
71.27402	1.5
79.05497	38.4
81.03408	2.9
81.07063	50.1
83.05006	5.0
83.08627	13.6
85.06540	2.9
91.05492	41.9
93.07053	36.6
95.04986	4.3
95.08618	31.3
97.06538	8.6
97.10173	10.0
98.21529	3.8
99.08102	2.7
100.08819	2.1
105.07037	41.6
107.04970	2.6
107.08606	24.2
109.06525	6.3
109.10161	18.5
111.08073	4.3
112.10430	1.7
115.05451	2.4
117.07018	20.3
119.08585	28.6
121.06499	2.0
121.10159	14.0
123.08072	2.0
123.11748	6.8
125.09671	7.2
128.06265	6.1
129.07025	19.0
130.07794	2.4
131.08583	29.5
132.67442	1.7
133.10143	25.5
135.08089	3.1
135.11716	9.0
137.09630	2.4
139.11237	2.0
141.06981	9.1
142.07829	4.8
143.08580	24.4
145.10155	23.0
147.08121	2.5
147.11720	12.5
149.09639	4.2
149.13269	3.3
153.07031	2.7
155.08560	19.0
156.09254	2.6
157.10149	20.8
159.11697	19.4
161.13280	7.8
162.30939	1.7
163.04909	1.5
163.11244	3.5
163.14874	3.7
165.07089	2.9
166.07745	2.1
167.08607	6.6
169.10149	22.3
171.11685	20.9
173.09569	1.7
173.13252	11.3
175.11172	2.5
175.14880	5.2
179.08578	3.4
181.10168	11.2
182.10997	3.0
183.11708	16.0
185.13290	16.8
187.11284	3.0
187.13307	2.8
187.14850	6.8
189.11224	4.0
189.12766	1.8
193.10179	5.3
195.11745	12.2
196.12535	2.3
197.13286	15.6
199.14865	10.7
201.12784	3.5
201.16458	4.3
207.11740	4.3
209.13293	11.4
211.14862	11.6
213.16470	7.3
215.17941	3.0
219.17444	11.8
220.12486	2.1
221.13326	4.8
223.14885	6.8
225.16458	7.3
227.12831	4.6
227.18019	2.9
235.14909	2.8
237.16438	3.3
238.35472	1.7
239.18025	3.8
241.19583	7.5
243.15779	2.3
247.14708	2.0
251.18137	3.1
253.19623	2.9
255.21303	2.4
257.19086	4.7
258.67682	1.7
259.20700	6.1
273.18549	4.0
275.20142	9.5
305.22284	1.8
309.22183	2.3
311.03641	1.9
315.23294	4.7
323.23672	3.0
333.24423	8.0
337.25153	2.7
349.24084	5.8
363.26697	2.7
365.28488	3.5
381.31561	2.5
383.29465	2.3
439.32004	3.4
461.34302	2.2
477.37396	3.5
513.35834	11.8
513.42810	1.8
515.39111	10.4
527.37616	2.6
532.43860	2.1
533.40283	15.0
551.40845	8.2
553.38922	10.9
555.36444	1.7
567.40607	2.3
589.42523	4.0
607.43640	42.9
625.26691	6.4
625.44672	100.0
626.44250	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	625.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01843	0.7
55.05524	2.4
57.03439	0.8
57.07060	0.5
62.83838	0.4
67.05508	4.4
69.07078	2.2
70.10480	1.7
77.99832	0.4
79.05501	3.7
81.03435	0.7
81.07069	5.6
83.04988	0.5
83.08629	1.5
85.47294	0.4
91.05487	4.2
93.07043	3.5
95.04973	0.9
95.08605	3.0
97.06536	0.7
105.07035	3.2
107.08608	1.9
109.06516	0.8
109.10179	1.5
117.07030	1.0
119.08594	2.6
121.02880	0.7
121.10150	1.4
121.81934	0.4
125.09675	0.5
129.07021	1.0
131.08585	2.3
133.10156	1.8
135.11682	0.7
141.06985	0.8
143.08578	1.4
145.10170	1.5
147.11723	1.2
149.09641	0.6
149.13324	0.7
155.08556	1.1
156.09332	0.5
157.10149	1.4
159.11752	1.3
161.09763	0.5
161.13425	0.5
164.10736	0.9
167.08630	0.5
169.10146	1.4
171.11748	1.2
173.13269	0.6
181.10109	0.6
183.11766	0.8
185.13304	1.0
187.14873	0.6
195.11766	1.0
197.10887	0.4
197.13313	1.5
199.14871	0.5
211.14934	0.6
223.12276	0.6
225.16441	0.5
238.14732	0.7
241.19727	0.7
264.15222	0.9
273.18591	0.7
275.20068	0.7
282.53638	0.5
293.08755	0.4
328.14459	0.7
335.25723	0.6
336.26190	0.5
342.12268	0.8
391.15390	0.7
391.19946	0.5
393.21277	0.7
405.17001	1.0
406.17795	0.8
407.18372	0.8
407.22897	0.9
414.11130	1.2
419.14288	0.5
419.19168	1.2
420.19876	1.0
421.20389	3.4
422.21225	1.1
431.18637	1.1
432.19269	0.6
433.20975	2.2
434.16846	0.9
434.21780	1.0
435.18085	1.8
435.22464	1.3
436.22665	1.4
447.22586	0.5
448.19049	1.0
449.19666	6.5
450.20453	1.9
451.21051	0.7
459.18530	0.5
461.19717	0.7
463.21869	4.1
464.22482	2.8
465.23007	0.9
473.23578	0.6
474.20670	0.8
477.18784	4.2
478.19882	2.1
479.20990	1.2
491.20929	1.5
492.21439	1.3
493.22385	1.6
495.24362	0.6
501.22806	0.7
505.22427	0.5
507.24207	2.9
510.23022	0.6
513.36072	0.8
519.19861	0.9
521.21820	2.0
522.22815	0.9
523.23486	1.9
531.23828	0.6
533.40173	0.7
537.24316	1.6
540.19678	0.5
547.23401	2.7
549.24200	0.7
550.22131	1.8
551.22968	2.1
551.40320	0.6
553.39655	0.7
554.37665	0.6
565.24487	5.9
568.26184	0.5
575.22998	2.0
576.21100	1.3
581.24426	2.3
582.24921	1.1
583.25854	0.7
593.23743	5.4
596.26093	0.7
607.25635	12.0
607.43518	3.4
608.24347	1.9
610.24310	4.7
625.26599	100.0
625.44293	5.8
626.27136	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.6
53.03939	2.3
55.01854	1.5
55.05273	0.5
55.05513	6.6
56.84331	0.4
57.03439	12.1
57.07058	0.9
65.03929	1.7
67.05505	22.9
69.03419	0.7
69.07070	5.8
70.41576	0.3
71.04972	1.2
71.05334	0.4
71.08619	0.4
71.63889	0.3
75.36326	0.4
77.03928	0.6
78.79057	0.4
79.05494	25.4
81.03399	1.7
81.07059	21.4
83.04972	1.4
83.08620	4.2
85.06554	4.5
91.05482	38.6
93.07047	28.0
93.07539	0.3
93.07913	0.6
95.04983	2.8
95.08607	14.2
97.06569	2.2
97.10153	1.7
99.04470	3.1
99.08100	0.8
103.05466	1.4
105.04482	1.6
105.07033	25.7
107.04971	4.4
107.08597	14.4
109.06512	4.8
109.10153	5.1
111.08088	1.9
113.09603	0.6
115.05460	1.2
116.06239	0.7
117.07024	12.9
117.07855	0.6
119.08580	22.8
121.06502	2.1
121.09341	0.6
121.10154	8.5
123.08047	2.0
123.11672	0.9
125.09656	0.7
128.06235	0.9
129.07004	4.2
130.07729	0.6
131.08569	18.4
133.06483	0.6
133.10127	14.9
135.08043	2.8
135.11693	7.0
137.09615	2.0
139.11230	0.5
141.07037	0.6
143.08577	2.4
145.10123	11.3
147.11699	5.8
149.09605	2.6
149.13242	1.2
151.11169	0.6
153.12814	2.3
155.08620	0.6
157.10100	2.3
159.10632	0.6
159.11710	5.6
161.09641	0.7
161.13255	2.4
163.11159	1.2
163.14854	0.5
169.10095	1.2
171.11729	1.4
173.09628	0.6
173.13281	3.4
175.14784	1.4
181.10313	0.4
183.11656	1.2
185.13292	3.3
187.14795	0.5
191.14262	0.8
197.13223	0.9
199.14761	0.9
201.16383	5.1
203.14375	3.3
209.15469	0.6
217.15860	0.8
219.17441	100.0
220.17772	1.7
239.17961	1.0
257.18964	2.7
275.20059	19.2
289.17889	0.8
293.21176	0.7
331.22714	0.6
349.23688	0.6
383.40781	0.4
557.38074	0.6
563.26440	1.6
623.28217	5.3
623.42859	22.7
624.26257	0.5
624.43433	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56512	0.5
55.05505	2.3
57.03444	1.0
67.05512	3.8
69.07070	1.6
70.62902	1.8
72.29413	0.7
73.38900	0.6
78.74548	0.6
79.05499	4.0
81.07063	4.4
83.04955	1.1
83.08633	0.5
86.93668	0.5
91.05502	3.2
93.07048	4.2
95.08604	2.9
95.09148	0.7
97.06503	0.8
105.07039	1.7
107.08619	1.5
109.06525	1.1
109.10177	1.5
113.06026	0.6
117.07063	0.5
119.08616	1.2
121.10175	1.2
122.56211	0.6
129.07007	0.9
133.10188	1.8
133.91422	0.6
135.08092	0.8
135.11749	0.6
145.10164	1.4
151.11192	0.6
159.11703	1.2
168.06738	0.6
169.10120	0.9
171.11664	1.0
179.14366	0.7
228.08672	0.7
273.18610	1.5
275.20117	0.9
291.19620	2.7
374.06488	0.7
377.17776	2.0
378.18637	1.0
380.20859	0.7
389.18515	1.4
390.18811	0.7
391.19250	5.8
392.19986	2.8
393.21072	0.9
403.19574	1.9
404.20361	2.3
405.20697	12.0
406.21475	2.5
407.22324	6.2
417.20996	1.0
418.22122	1.2
419.22525	4.2
420.23151	4.8
421.23932	8.7
422.17639	1.1
422.24490	1.0
432.24063	0.6
433.24167	3.6
434.24829	2.9
435.18396	3.2
436.19064	2.6
445.20526	1.4
447.21817	1.7
449.19937	2.2
450.20633	2.0
451.21329	20.4
452.22009	5.5
460.22849	1.2
461.23746	0.8
463.21442	1.4
464.22266	2.5
465.22894	18.6
466.23590	4.3
473.19913	0.9
475.25470	1.4
477.19464	0.8
477.26611	1.9
478.23883	1.4
479.24432	2.6
487.21713	1.1
488.22195	1.3
491.20239	1.4
492.21780	2.7
493.26166	14.8
494.26761	1.7
501.22791	0.9
503.24545	8.7
504.24893	0.9
509.21838	4.0
519.23853	0.9
521.25500	8.4
523.23413	9.3
537.24927	6.4
538.25793	25.9
547.23352	3.6
565.24371	11.2
566.25433	3.5
581.27673	8.4
607.25690	7.0
625.26611	100.0
625.44281	5.0
626.26599	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	623.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.9
53.03951	5.3
55.01860	5.0
55.05515	19.8
57.03437	8.6
61.02934	28.5
65.03959	3.7
67.05509	46.0
69.03434	6.8
69.07076	15.0
69.83053	1.5
69.91302	5.9
71.05002	4.0
73.02921	7.4
79.05502	37.3
80.18906	1.4
81.03421	7.7
81.07061	46.7
83.05000	4.6
83.08618	15.5
85.02916	23.5
87.04505	1.6
91.03976	12.0
91.05486	53.2
93.07050	41.1
95.04974	9.7
95.08610	25.8
97.02894	16.5
97.06542	7.7
97.10159	5.9
102.21398	1.7
103.05466	3.9
105.04498	2.0
105.07041	41.6
107.04942	9.4
107.08607	17.0
109.06522	6.7
109.10162	11.7
111.08090	3.7
113.06006	1.6
115.05480	4.0
117.07036	32.5
119.04928	1.8
119.08587	18.8
121.02876	2.3
121.06518	5.9
121.10150	12.2
123.08097	6.1
123.11703	1.7
125.09645	2.8
127.03925	6.3
128.06207	10.1
129.07019	37.0
130.07805	2.4
131.04958	3.0
131.08577	44.9
133.06509	7.4
133.10155	18.6
135.08040	4.3
135.11697	4.0
137.09645	2.6
141.06989	21.8
142.07774	4.3
143.08565	30.2
145.06488	9.3
145.10130	23.8
147.08055	6.3
147.11713	7.1
149.09641	7.0
149.13266	3.0
151.11212	3.5
153.06979	4.6
154.07770	2.3
154.96002	1.8
155.08578	23.8
157.06471	4.1
157.10141	20.7
159.08081	7.5
159.11691	8.3
161.05899	2.3
161.09656	5.4
163.11244	2.5
165.07106	2.5
166.07874	2.6
167.08522	12.8
168.09341	2.4
169.10135	15.7
171.08032	5.4
171.11685	11.3
173.09636	4.5
173.13266	4.0
175.11180	4.2
177.12759	2.3
179.08575	5.5
180.09383	2.5
181.10121	15.9
183.11679	15.9
185.09586	2.8
185.13248	8.7
187.11157	3.2
187.14931	2.2
189.12770	2.0
191.08696	2.8
192.09225	1.6
193.10172	5.8
195.11679	13.2
197.09639	4.0
197.13214	8.7
199.14882	2.8
203.14371	4.0
207.11682	7.0
209.13304	9.0
211.11351	2.8
211.14851	4.6
213.12843	2.9
215.14316	6.1
219.11761	2.1
221.09520	1.7
221.13351	9.6
221.15178	2.3
223.14845	7.3
225.12759	1.8
225.16476	3.8
229.14323	2.2
231.17592	2.0
233.13313	2.4
235.14784	5.2
237.12666	2.9
239.14317	5.8
241.15926	3.1
249.16513	2.9
253.15935	4.5
257.15317	5.5
267.17499	1.8
271.16965	5.5
275.16312	1.9
275.20215	2.3
279.28537	1.8
315.21066	3.2
323.23682	9.2
333.22214	13.7
341.25024	7.9
351.23251	45.3
369.24265	39.9
387.25354	18.7
415.28247	2.7
417.26160	1.8
425.26804	9.0
433.29611	2.8
443.27960	100.0
444.28162	1.8
461.29044	58.5
485.28543	2.7
587.32471	1.8
623.33319	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01903	0.5
55.05500	1.8
57.03459	0.5
57.07073	0.6
67.05505	4.5
69.07068	1.5
70.17256	0.7
70.17640	0.9
78.77267	0.4
79.05498	3.6
79.30676	0.5
81.03403	0.6
81.07069	4.2
82.14428	0.4
83.04998	1.0
83.08639	0.7
91.05493	3.4
93.07047	4.2
95.04983	1.0
95.08604	2.8
97.10163	0.8
98.20884	0.6
100.34544	0.4
105.07025	3.1
107.04980	0.7
107.08594	1.6
109.06557	1.0
109.10152	1.6
111.08047	0.4
113.27583	0.4
117.07030	1.8
119.08556	2.4
121.10148	1.2
129.07021	1.1
131.08580	2.0
133.10143	1.3
135.08118	0.6
135.11688	0.8
137.09593	0.5
141.06973	0.5
142.35246	0.5
143.08586	0.9
145.10107	1.2
147.08133	0.6
147.75917	0.4
155.08652	0.5
157.10210	0.7
159.08075	0.8
159.11694	1.0
161.09593	0.7
161.13356	0.5
169.10217	0.6
171.11725	0.9
173.09604	0.7
173.13162	0.5
221.10834	0.4
237.13734	0.5
243.17632	0.6
261.18619	0.7
271.17065	0.9
289.17947	3.6
335.26031	0.7
389.17758	1.0
390.18365	0.7
391.19278	1.1
392.20010	0.8
401.18076	0.9
402.18646	0.8
403.19214	1.4
404.20203	1.0
405.21301	2.8
407.22458	1.0
415.19495	1.0
417.16837	1.3
417.20987	1.7
418.17609	1.0
419.17731	0.8
419.22922	2.3
420.23163	0.9
429.21335	1.0
430.18063	1.5
431.17941	2.8
432.19284	0.8
433.20300	7.1
434.20901	0.7
435.21747	0.7
443.18677	1.4
444.18735	2.5
445.19775	4.0
446.21356	2.6
447.22018	4.3
448.22464	1.8
456.19482	0.6
457.20120	0.6
458.21024	6.0
459.21729	4.9
460.22913	4.6
461.19919	1.5
462.20688	0.6
463.21393	2.1
473.23395	0.8
475.21478	1.4
476.21494	2.2
477.23154	2.1
485.23511	0.6
490.23431	0.6
503.24591	0.6
511.34070	1.1
517.22937	0.6
518.23291	3.9
519.23999	1.3
521.22174	1.4
531.23389	0.6
533.25482	7.0
535.26215	1.3
536.23907	1.3
545.25653	2.5
546.26147	1.2
548.24072	0.6
563.26630	4.8
573.24927	0.6
577.28571	0.6
591.26208	1.6
605.27734	9.2
605.41925	0.9
623.28650	100.0
623.43243	4.9
624.29144	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
70.76029	1.6
70.76387	1.9
72.96006	0.9
73.55762	0.8
74.70240	0.9
161.41086	0.8
179.62206	0.9
223.12434	1.1
277.60031	1.0
301.20389	1.0
390.18619	1.6
391.19119	3.0
392.20062	3.4
393.20578	1.3
399.16437	1.2
401.17642	1.9
402.19720	1.1
404.20554	1.0
405.20920	3.6
406.21512	3.8
407.22308	12.7
413.17526	2.6
414.18372	2.7
415.19290	3.8
419.22815	1.7
420.23141	3.4
421.23849	11.1
422.24554	2.0
427.19598	2.1
428.20065	2.9
429.20856	11.3
430.21609	3.3
433.24802	1.4
443.22791	6.4
444.23218	3.5
445.20291	2.8
455.18701	0.9
457.24908	5.1
458.25162	7.7
459.21875	6.6
460.22623	3.3
461.19144	4.6
463.21420	1.3
470.20953	2.0
471.22269	1.7
472.22656	6.4
473.23431	3.1
475.21063	6.4
476.21921	5.1
477.23093	3.8
485.23557	15.6
486.20032	2.8
486.24185	3.9
487.21109	1.9
488.22293	1.4
489.23181	3.3
490.24097	1.2
499.21307	4.1
500.22202	2.2
502.23917	1.8
503.24744	11.4
504.24872	1.1
507.24408	1.1
508.28979	1.8
513.22980	3.5
514.23529	1.8
517.26135	9.7
521.25824	1.1
529.26031	2.4
535.26971	7.3
545.25543	98.3
546.26111	3.9
563.26324	1.4
564.27411	2.2
573.25055	20.0
591.25037	1.4
605.27618	100.0
606.27692	4.8
623.28687	93.6
624.29254	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	623.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.05506	1.1
55.68933	0.4
55.69244	0.5
57.03436	0.6
57.64164	0.4
67.05506	2.3
69.07055	1.3
74.39810	0.4
79.05497	2.2
81.07067	2.8
83.05009	1.0
83.08647	0.4
91.05492	2.3
91.96552	0.4
93.07061	2.2
95.04980	0.9
95.08605	1.8
95.09174	0.5
101.95763	0.4
105.07051	1.5
107.04958	0.5
107.08598	1.2
109.10165	0.8
117.07009	0.8
119.08583	1.4
121.06565	0.5
121.10123	0.6
131.08582	1.1
133.10121	1.1
135.53923	0.5
143.08583	0.9
145.10104	0.9
147.11778	0.5
157.10170	0.6
159.11708	0.5
184.07370	0.6
219.17461	0.7
221.10780	0.7
223.12332	0.5
237.13911	0.7
275.20139	0.7
289.17999	0.7
298.13455	0.7
319.39706	0.4
329.20120	0.5
358.13235	0.6
362.15530	0.6
363.16068	1.0
375.16623	0.9
376.16977	0.8
377.17743	1.8
378.18582	1.0
387.16333	1.0
388.17868	0.7
389.17749	1.4
390.18842	1.5
391.19443	3.2
392.19876	2.2
393.20844	1.5
399.16260	1.4
400.17395	0.9
401.17700	3.1
402.18985	0.9
403.19754	0.7
404.20383	0.7
405.16681	1.0
405.20844	1.9
406.21707	0.6
407.22540	3.4
413.17752	1.3
414.18289	1.7
415.19556	2.7
416.20709	0.9
417.21313	1.0
419.18466	2.1
419.23166	0.9
421.20270	1.0
427.19339	0.7
428.20581	2.2
429.20834	2.1
430.21750	1.4
431.18616	2.0
432.20013	0.7
433.16028	1.0
433.21045	0.9
435.21817	1.5
443.18103	1.2
443.22760	1.5
444.19342	2.1
445.20544	1.3
446.21713	0.9
447.17624	3.5
448.19089	1.6
449.19513	0.8
455.48163	0.5
456.19681	1.0
457.20956	1.0
458.21030	1.6
459.18332	1.7
460.18915	1.0
461.19693	3.0
462.20758	2.0
463.20801	3.0
471.22455	4.6
472.18088	0.8
472.23398	0.9
473.18988	2.2
474.20728	2.5
475.16849	1.4
475.21658	2.7
476.18607	1.5
477.18658	0.8
483.22116	0.8
484.18924	1.1
485.19989	2.3
486.20416	2.7
487.21429	0.7
489.18726	2.2
489.22974	4.2
490.19220	4.7
491.20578	3.8
493.22754	0.8
499.21378	9.1
500.19284	1.4
501.23386	3.6
502.20248	1.1
503.20932	4.5
507.23792	1.6
511.21384	0.6
513.19244	3.8
514.20038	1.0
516.22333	1.1
517.22418	14.2
518.22418	1.4
519.20514	0.6
521.21808	0.5
527.20490	2.1
529.22357	7.5
531.20380	2.9
531.38440	0.6
535.23438	2.8
536.24121	1.2
545.21863	25.0
546.22229	1.2
555.19983	0.9
563.22668	2.9
564.23309	2.3
573.21368	9.3
577.24500	4.0
591.22559	4.8
595.25488	1.0
605.23981	47.4
606.24359	1.8
623.25037	100.0
623.42334	3.0
624.25354	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	623.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
58.03454	0.5
60.87479	0.5
67.05499	1.9
69.07057	0.8
71.11809	1.3
79.05487	0.7
81.07055	2.0
86.20284	0.5
91.05495	1.4
93.07021	1.2
95.04996	0.6
95.08596	1.7
105.07057	1.1
107.08578	0.6
109.10169	0.6
117.07076	0.8
119.08555	0.6
131.08611	0.8
135.11754	0.6
177.77089	0.5
189.16492	0.5
237.13895	0.9
271.20670	0.7
283.78073	0.6
376.16995	0.7
377.17761	1.1
389.18488	0.9
390.18414	1.1
391.19238	2.4
392.20013	2.1
393.20776	0.9
401.17715	1.0
402.18570	0.7
403.19498	0.8
404.20258	1.3
405.21002	2.7
406.21558	2.8
407.22394	7.6
413.17822	1.3
414.18582	0.9
415.19232	2.0
419.22699	0.9
420.23221	1.4
421.23846	8.5
422.24783	1.9
427.19144	1.0
428.19980	1.5
429.20749	4.0
431.18127	1.0
432.19394	0.7
433.24643	1.0
435.25531	0.6
443.22385	2.3
444.23608	1.3
445.20392	1.6
447.17508	1.1
455.18964	0.8
457.24088	1.8
458.24689	2.1
459.22061	3.4
460.22568	1.2
461.18808	3.2
462.20502	1.1
463.21405	1.1
470.21524	0.8
472.22757	2.1
473.24402	0.7
474.20663	0.7
475.21198	6.1
476.22052	4.2
477.22348	2.7
484.18555	0.7
485.23523	6.0
486.19904	0.8
487.20486	1.0
488.22086	1.3
489.22861	2.3
499.21298	5.1
500.22488	0.9
503.24536	8.4
508.28906	0.9
513.22815	1.5
514.23553	0.7
515.24353	0.8
517.25812	2.4
531.23480	0.6
535.27252	5.3
545.25513	24.2
563.26642	1.9
564.27747	1.1
573.25073	7.0
577.28259	1.7
591.26105	2.6
605.27643	18.0
606.27625	0.8
622.61554	0.9
623.28674	100.0
624.28821	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	622.468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32335	11.6
51.60108	9.3
67.05515	24.4
69.07064	34.5
71.51112	14.1
79.05484	16.3
81.07074	30.1
91.05483	17.9
93.07069	19.2
97.06541	100.0
117.40441	12.6
128.94205	9.5
137.05980	20.6
149.06012	24.5
153.05461	20.3
156.85413	9.8
177.09085	18.4
179.06996	23.1
181.08629	38.4
191.07039	13.9
233.11688	74.9
251.12970	12.5
263.09659	13.0
277.14362	66.0
295.15448	37.3
386.24091	11.8
531.20972	11.6
532.31934	12.1
557.24677	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	623.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01864	1.3
55.05512	7.4
57.03432	1.5
67.05511	10.4
69.03423	1.0
69.07067	4.2
69.15396	4.9
69.15833	2.4
71.05015	1.3
79.05496	10.2
81.03422	7.2
81.07060	9.2
83.04998	1.7
83.08633	2.9
84.31789	0.7
85.06535	0.8
91.05488	7.9
91.37288	0.7
93.07044	5.9
95.04977	2.7
95.08614	6.7
97.10187	3.5
103.05454	0.8
105.07029	6.2
107.04974	1.1
107.08605	4.5
107.09204	0.8
109.06539	1.1
109.10181	3.1
115.05449	2.2
117.07030	4.1
119.08588	4.7
121.10139	2.6
125.09645	2.5
128.06210	1.1
129.07001	3.0
131.04962	0.9
131.08554	3.9
132.08041	0.8
133.06512	1.3
133.10158	2.4
135.08069	1.4
135.11725	1.5
140.71527	0.7
141.07019	1.6
143.08542	3.1
144.09436	0.7
145.10156	3.8
147.07967	0.7
147.11707	1.8
149.09677	1.0
155.08586	2.5
157.10161	2.5
159.08057	1.5
159.11758	1.9
160.05159	1.0
161.06012	1.6
161.09595	1.0
161.13358	0.8
163.11261	1.0
167.08597	1.6
169.10185	3.3
171.11775	2.4
173.05984	2.0
173.13240	1.5
181.10255	1.6
183.11722	2.3
185.13322	1.6
189.11183	0.9
195.11754	1.3
197.13333	1.6
199.14906	0.9
207.11908	0.7
209.13219	0.7
211.14905	1.3
225.16324	0.7
227.12802	1.1
257.19205	0.9
271.13348	1.2
273.14740	1.0
289.18091	1.0
291.19626	2.0
315.23102	0.7
335.25851	1.1
361.14865	0.8
362.15671	0.7
363.16049	1.1
376.17810	0.8
377.17618	2.5
378.18619	1.7
379.30194	0.8
386.15750	1.2
387.16275	1.6
388.17596	1.0
389.18048	0.8
390.18887	1.5
391.19290	4.2
392.19952	2.1
393.20648	1.6
399.16147	2.6
400.17200	2.0
401.17831	5.0
403.19693	1.2
405.20920	2.1
406.21759	0.8
407.22015	3.8
413.17551	3.4
414.18433	2.3
415.19504	7.0
416.20200	2.3
417.21094	1.2
419.18781	2.6
419.23340	1.1
421.20401	1.7
425.17706	1.1
427.19250	1.9
428.20541	3.2
429.21744	4.2
430.21582	2.7
431.18692	1.3
433.15927	1.6
433.20749	1.5
435.21829	3.0
441.16925	0.9
443.22464	3.4
444.19171	4.7
445.24619	1.3
447.17249	4.6
448.18930	1.3
456.20023	1.1
457.20386	2.3
458.21091	2.9
459.18033	2.0
460.18539	1.5
461.19095	3.9
462.20810	2.7
463.21494	2.5
471.22330	9.2
472.17676	0.9
472.22977	2.2
473.18781	4.2
474.20703	3.4
475.16528	1.1
475.21259	3.6
476.18567	1.1
483.22058	1.5
484.18887	1.7
485.19519	3.4
486.20627	5.1
489.23410	8.1
490.19281	5.1
491.20560	4.1
499.21320	18.8
500.18686	2.3
501.23618	5.1
502.20087	0.8
503.20883	5.3
507.23740	2.6
508.24551	0.8
511.21677	1.2
513.19299	2.7
513.36841	0.7
514.19904	1.8
516.21741	1.0
517.22351	12.2
518.23065	1.7
525.35791	1.5
527.20892	2.9
529.22528	11.6
535.23553	3.7
536.24200	1.2
545.21899	53.9
546.22083	2.3
547.24292	0.8
550.25684	1.0
555.20416	2.9
563.22998	1.4
564.23676	2.6
573.21387	17.6
591.22644	2.3
595.24829	1.0
605.23969	100.0
605.41351	2.4
606.24359	3.5
623.25006	73.6
623.42236	15.8
624.25543	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62841	1.8
54.30056	2.1
57.07079	2.2
69.07101	2.2
72.23417	1.8
73.41698	1.9
79.89220	1.8
95.08591	2.1
134.83206	2.1
155.19328	2.5
174.17450	2.5
183.10768	2.3
189.76256	2.0
235.12291	2.3
256.30060	2.1
338.60162	2.1
362.31494	2.3
389.17972	2.2
405.21069	2.9
417.16962	3.1
433.19824	2.2
447.21964	6.4
461.19760	7.3
462.20670	4.3
475.21295	20.8
476.22119	5.9
477.22974	6.3
489.22665	2.4
503.20575	4.7
519.24414	3.1
535.23413	14.5
536.23621	2.4
545.25446	3.2
547.23633	3.7
549.24933	2.7
562.25787	15.4
563.26526	16.4
590.25024	7.1
593.25977	6.4
594.27966	5.9
607.25702	4.9
622.27856	100.0
623.28540	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	621.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
53.91612	1.1
54.59827	1.2
55.05516	3.9
57.03435	2.1
67.05522	2.4
69.03434	13.3
69.07076	3.0
69.75826	0.9
70.06620	2.0
71.04999	20.2
71.49905	1.5
71.50571	1.0
73.02923	2.1
79.05510	2.4
81.03410	6.0
81.07076	3.3
83.04986	5.5
83.08631	3.1
85.02911	37.8
85.06545	1.5
87.04473	1.6
89.72044	1.0
91.05506	3.7
93.07052	3.5
95.08614	10.3
97.02919	4.8
99.04498	3.5
103.05481	1.0
105.07069	3.9
107.08591	15.5
109.02910	2.2
109.06508	7.0
109.10195	4.1
111.08098	4.0
117.07053	1.6
119.08585	5.2
121.06536	4.7
121.10159	9.3
123.08128	3.5
125.09666	4.4
127.03957	4.0
127.11199	80.0
129.07101	1.2
131.08583	6.0
133.10155	6.1
133.11185	1.1
135.08073	15.4
135.11694	4.8
137.05975	4.8
137.09633	2.0
143.08600	1.2
144.09378	1.3
145.04987	2.7
145.10138	4.7
147.11732	3.5
149.06032	3.2
149.09628	13.1
149.13280	5.1
150.10448	1.6
151.07547	6.8
153.09219	1.7
158.10974	4.7
159.08026	2.7
159.11757	4.3
161.06013	1.4
161.09688	2.7
163.07571	2.5
163.11232	3.8
163.14806	6.7
165.12819	1.6
173.09735	1.9
173.13260	24.4
175.07578	3.8
175.14882	2.3
176.11969	1.5
177.09096	8.9
189.12834	1.3
191.14319	100.0
192.14738	1.3
209.15375	64.0
224.20894	1.1
233.08170	2.5
233.15384	8.1
251.16422	8.1
299.16364	1.2
314.43137	1.1
353.19620	11.5
359.18582	2.3
375.47958	1.1
406.17728	2.0
423.29205	3.7
428.19128	1.7
441.30038	4.0
585.34143	3.5
603.35071	10.5
621.36432	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
60.30982	0.5
63.77494	0.4
65.21537	0.5
68.74883	0.4
96.71058	0.5
100.88621	0.4
121.09993	0.4
207.08983	0.6
220.67564	0.4
245.10957	0.6
272.11932	0.5
278.01279	0.4
328.97455	0.5
373.14487	0.6
374.15302	0.6
375.16336	1.1
376.18155	0.7
387.16278	1.0
388.16949	1.5
389.17593	5.1
390.18378	2.1
391.19199	1.0
398.60956	0.4
401.17538	1.5
402.18454	1.8
403.19421	6.6
404.20065	3.9
405.20749	2.4
415.14523	0.6
415.19058	1.8
416.16150	1.5
416.20572	1.0
417.15973	4.5
417.20908	3.7
418.17151	0.7
418.21759	1.3
419.22375	11.1
420.22870	0.5
429.16504	1.0
429.21646	0.8
430.17575	1.4
430.22354	0.7
431.18176	8.6
432.19055	2.5
433.20236	2.2
443.18564	1.4
444.19431	1.3
445.20132	8.3
446.20908	6.8
447.21826	13.0
458.21207	0.9
459.17191	1.6
459.21844	3.1
460.18405	0.8
460.22968	0.8
461.19376	1.3
473.19525	1.6
473.24197	1.1
474.20471	12.0
475.21301	18.2
476.21875	0.7
477.23288	0.8
486.20502	0.5
487.21338	4.4
488.22232	1.4
491.20416	0.9
501.23013	2.4
502.23410	0.9
503.20996	1.0
505.25787	2.0
517.22339	0.5
518.22668	0.6
529.22437	1.0
533.25568	11.5
534.25751	0.5
546.22400	1.0
561.24994	90.1
562.25519	3.7
589.24213	2.4
593.27612	4.2
621.27118	100.0
622.27716	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	621.2709
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.13912	0.2
69.25957	2.0
81.07083	0.3
83.04984	0.6
95.23839	0.3
127.57787	0.2
211.59639	0.2
219.09215	0.4
235.12395	0.3
251.11786	0.3
272.11990	0.2
272.86813	0.3
276.34012	0.3
296.11661	0.2
312.14713	0.3
314.13120	0.2
326.16443	0.3
350.12183	0.2
366.64270	0.2
373.14709	0.4
374.15396	0.4
375.16055	0.9
376.17526	0.4
385.15613	0.3
386.15323	0.3
387.16422	0.7
388.16971	0.9
389.17682	3.5
390.18274	1.1
391.19263	0.9
399.15756	0.3
401.18158	1.1
402.18790	1.6
403.19461	4.6
404.19989	2.2
405.20792	2.3
415.19788	0.4
416.16150	1.0
416.20499	0.8
417.17090	3.9
417.21140	2.5
418.17422	0.9
418.21634	1.0
419.22430	7.5
420.23135	0.5
429.16718	0.4
430.16992	1.1
430.22595	0.4
431.18109	7.0
431.23398	0.8
432.19135	3.3
433.20380	2.6
443.18771	0.5
444.19955	0.5
445.20132	6.0
446.20981	6.2
447.21835	9.9
448.22675	0.4
457.20767	0.3
458.20871	0.6
459.22888	2.7
460.18048	0.5
460.23422	0.4
461.19620	1.7
463.21262	0.5
473.19699	1.3
473.24280	0.8
474.20309	6.0
475.21277	7.4
477.22964	0.5
487.21454	3.2
488.22028	0.7
491.21008	1.3
492.25208	0.5
501.22913	1.8
502.23434	0.3
505.25833	1.3
506.23700	0.3
518.23328	0.9
519.20496	1.0
529.22455	0.6
533.25543	14.4
534.26099	0.4
546.22876	0.7
561.25012	21.4
562.25317	0.8
565.27271	0.6
589.24982	1.1
593.27655	3.5
621.27069	100.0
622.27448	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	621.2713
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.84932	0.7
55.05511	1.6
57.03451	0.9
57.07072	1.0
58.69964	0.6
59.74770	0.6
63.68371	0.5
67.05505	4.2
69.07079	1.5
69.23299	0.6
71.08649	0.7
71.36478	1.1
79.05495	1.1
81.07068	2.6
91.05479	1.8
93.07050	1.6
95.04989	0.7
95.08627	1.4
98.98479	2.1
105.07066	0.8
107.08606	1.1
107.47197	0.6
109.10196	1.7
114.22870	0.5
119.08669	0.7
121.10096	0.6
137.09821	0.7
140.04453	0.6
155.01070	1.6
164.26857	0.6
175.69696	0.5
183.00560	0.7
186.85416	0.7
189.09297	0.7
192.45209	0.6
201.65804	0.6
203.59219	0.6
211.03743	0.6
211.13319	4.6
226.06557	0.7
232.46095	0.7
291.19650	1.0
313.27539	1.4
334.51675	0.6
365.13690	1.1
375.16290	1.3
383.14725	1.7
387.16449	1.5
388.06122	0.6
388.17017	0.9
389.17862	2.0
390.18878	0.9
391.19620	0.9
401.17719	1.1
402.18604	1.9
403.19370	2.8
404.19943	2.4
405.20905	1.5
416.16083	1.3
417.16357	1.2
417.20944	2.5
418.21942	1.3
419.22363	4.2
429.16620	0.7
430.17520	0.9
431.18451	2.4
431.22675	2.6
432.19193	1.4
433.24289	0.8
445.20737	3.5
446.21182	2.2
447.21729	5.6
459.18408	3.8
460.18716	1.1
461.19894	1.7
473.19290	1.2
474.20288	6.3
475.21326	14.8
476.21948	0.8
487.21329	4.6
488.22214	0.9
501.22885	3.5
502.23901	1.3
505.26352	0.9
518.23163	1.0
533.25714	8.2
546.22528	0.7
561.25055	31.2
562.25415	1.3
585.41522	0.8
589.24646	2.4
593.27722	1.0
621.27155	100.0
621.43622	2.7
622.27887	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	621.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	1.2
53.03946	5.8
55.01874	4.2
55.05513	77.4
58.19494	0.9
65.03941	4.6
67.01878	1.2
67.05501	8.1
69.07060	2.8
69.86465	4.7
71.04995	26.0
79.05490	14.6
81.03426	3.5
81.07062	8.3
82.21359	0.9
83.04985	100.0
85.06544	2.0
91.05483	30.6
93.03391	2.7
93.07037	11.5
95.04978	9.0
95.08620	1.9
97.02887	1.3
97.06519	7.7
98.21510	1.1
99.04458	97.6
101.06030	1.1
103.05477	6.9
105.03402	2.0
105.07035	32.7
107.04972	7.7
107.08607	4.6
109.02877	2.4
109.06538	3.8
115.05443	12.4
116.06264	3.7
117.07024	21.3
119.04944	5.1
119.08590	14.3
121.02887	1.5
121.06497	7.3
123.04466	3.4
123.08099	0.9
128.06221	12.4
129.07008	23.4
129.07928	1.7
130.07780	2.8
131.04965	5.5
131.08571	23.9
133.06496	6.9
133.10167	3.3
135.04465	2.8
135.08090	3.2
137.06035	2.3
141.07001	13.4
142.07800	5.7
143.08560	13.2
144.05721	2.2
145.06483	13.8
145.10126	13.6
147.04442	3.1
147.08057	15.6
149.06000	2.9
149.09683	1.7
151.07556	1.8
152.06198	5.1
153.06987	9.5
154.07811	6.0
155.06148	2.2
155.08563	33.9
156.09340	2.0
157.06502	9.9
157.10118	8.1
158.07297	1.9
159.04471	3.9
159.08076	13.0
161.05966	5.8
161.09663	2.6
163.03896	1.2
163.07523	6.7
165.07007	10.3
166.07780	5.9
167.08565	12.6
168.09366	2.0
169.06458	6.9
169.10112	10.1
170.07289	2.3
171.08047	7.9
171.11749	1.5
172.08881	1.1
173.05994	9.7
173.09637	21.9
175.07544	11.4
175.11211	1.3
177.09184	3.1
178.07747	7.5
179.08545	10.6
180.09364	2.9
181.05138	1.2
181.06522	4.9
181.10106	10.1
182.07344	2.0
183.08090	8.6
183.11743	3.6
184.08865	1.3
185.05963	4.8
185.09601	7.6
187.07513	6.3
187.11244	2.3
189.05498	1.8
189.07088	2.2
189.09190	2.8
190.07878	3.2
191.07063	1.6
191.08638	6.0
191.10703	3.3
192.09351	5.5
193.08603	1.8
193.10219	8.2
194.10933	1.6
195.08080	6.4
195.11746	4.5
197.05984	6.3
197.09653	12.9
199.07515	6.3
199.11275	4.0
201.09109	17.5
202.07780	4.9
203.06999	2.1
203.08633	6.4
203.10561	1.9
204.09273	5.2
205.06612	2.1
205.08606	1.6
205.10170	8.9
206.07324	1.2
206.11014	2.3
207.08147	4.2
207.11746	5.1
208.09004	3.0
209.06140	1.4
209.09641	7.8
209.13351	1.7
210.10454	1.6
211.07544	5.0
211.11281	3.7
213.05539	3.9
213.09099	7.7
214.06398	1.2
215.06982	3.5
215.08665	5.3
215.10747	5.7
216.09230	2.1
217.08380	1.5
217.10277	5.8
218.10922	2.4
219.08138	2.9
219.10201	3.4
219.12022	6.6
220.08839	1.7
221.09721	5.5
221.13271	2.7
222.10403	2.1
223.07639	4.1
223.11165	6.9
225.05656	1.3
225.09100	9.4
225.12761	1.2
226.07967	1.6
227.08752	1.9
227.10760	5.3
228.09396	1.9
229.08330	1.8
229.10391	5.0
230.10991	3.3
231.08089	2.5
231.11777	4.5
232.08969	3.4
232.12579	1.9
233.09688	5.7
233.13306	1.7
234.10518	1.9
235.07573	3.1
235.11240	7.1
236.08302	1.3
237.09268	5.2
237.12808	4.8
239.06749	1.5
239.08871	1.7
239.10707	5.1
240.09355	2.2
241.10204	3.6
241.12292	1.5
242.11026	3.3
243.08167	1.8
243.10274	5.0
243.12201	1.7
245.09753	5.4
245.13469	2.5
246.10355	1.9
247.07591	1.6
247.11244	7.0
248.12048	1.3
249.09221	3.5
249.12836	5.0
250.09933	1.1
251.07001	1.0
251.10677	6.5
252.09421	1.3
253.10269	2.1
253.12434	2.4
254.10980	2.7
255.11803	3.0
256.08734	1.3
256.12494	2.0
257.09680	2.8
257.13507	2.5
258.10541	2.5
259.07370	1.3
259.11258	3.7
259.15161	1.3
260.08310	1.4
260.11618	1.1
261.09036	2.3
261.12997	2.9
262.10010	1.2
263.10638	5.2
265.08356	1.4
265.10248	1.2
265.12357	6.3
266.11014	3.2
267.11743	3.2
267.14249	1.4
268.12622	1.3
269.09534	1.8
269.13516	2.2
270.10242	2.0
271.09436	1.5
271.11676	1.8
271.15002	1.7
272.12213	1.2
273.08969	2.2
273.12772	3.6
275.10733	3.8
276.11526	1.5
277.12344	4.0
278.10837	1.2
279.10260	1.5
279.14169	1.3
280.12421	3.1
281.12027	1.2
281.13492	1.4
283.10956	2.5
283.13773	1.4
284.11945	2.6
285.09372	2.2
285.12802	4.5
285.16208	1.5
286.10159	1.4
287.10751	3.3
287.14270	1.9
288.11639	1.2
289.09177	1.5
289.12421	3.8
291.09979	1.9
293.11676	5.1
294.14059	1.2
295.14621	1.6
297.09167	1.1
297.12781	3.4
299.10757	2.3
299.14368	3.1
301.12311	4.4
303.10156	1.2
303.13879	2.6
305.12427	1.8
306.14087	1.3
307.14481	1.2
308.12103	2.3
309.12622	2.3
311.12888	6.3
313.12347	3.0
313.15912	2.7
315.10468	1.4
315.13718	5.0
317.11786	1.1
317.15512	1.2
319.09998	1.2
319.13290	5.0
321.15787	1.2
322.10287	1.2
323.14420	3.6
325.12415	3.8
325.15921	1.6
326.12952	1.3
327.13779	2.9
329.11679	2.1
329.15332	1.6
331.13498	2.7
333.15103	2.1
337.15607	2.2
339.10141	1.5
339.13763	1.9
340.11002	1.2
341.11713	1.5
341.15436	4.7
343.13422	4.4
345.15097	1.9
351.13510	1.9
351.16608	1.7
353.11584	1.2
353.15445	2.1
355.13409	2.9
357.14999	3.2
359.16516	2.6
361.14581	2.5
367.17105	1.7
369.14746	8.0
371.12698	2.0
373.14236	1.6
375.16531	1.6
377.17773	7.0
379.16928	1.2
381.18674	2.3
385.18298	2.0
387.15970	6.1
389.13806	2.2
391.16788	1.3
393.18475	3.5
395.16348	1.6
397.14023	7.5
405.17117	1.8
407.15332	1.8
409.18039	3.1
411.19669	2.4
413.17444	2.4
415.15265	15.0
421.17813	4.1
427.19260	10.3
429.20926	1.8
431.18707	2.0
433.16541	7.2
437.17697	4.1
439.19052	7.5
443.18787	2.0
445.20288	2.7
449.17944	2.0
455.18561	11.9
457.20105	6.6
467.18353	5.7
473.19641	20.8
475.21457	3.4
485.19604	8.8
491.20679	7.9
503.20667	9.8
521.21692	11.8
525.25232	1.9
533.22284	1.4
575.26788	1.3
579.26044	1.5
585.25140	1.9
591.26129	4.5
593.28186	1.4
603.25470	6.2
621.27020	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	620.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05353	1.8
53.03949	15.5
55.01858	8.6
55.05515	30.7
56.99732	2.1
57.03422	9.2
57.07067	7.8
60.04534	2.1
65.03941	4.3
67.05509	100.0
69.03090	3.0
69.03435	45.3
69.07073	25.0
70.70766	3.9
70.71119	3.4
71.01344	1.9
71.04993	12.5
75.81053	1.9
77.03919	2.7
79.05498	80.4
80.05022	3.7
81.03424	86.5
81.07059	95.3
83.04980	11.1
83.08618	11.0
84.08932	2.3
85.02910	25.9
85.06532	3.2
87.04487	3.5
91.05486	61.6
93.07050	89.0
95.04980	20.2
95.08613	75.8
97.02895	41.9
97.06522	8.3
97.10161	2.7
99.04470	11.7
99.08088	3.7
101.02288	2.0
101.06040	2.4
103.03949	4.4
103.05468	6.6
105.04482	4.4
105.07037	51.9
105.51536	2.0
107.04951	7.9
107.08594	47.6
108.04478	24.4
109.02885	20.8
109.06518	7.0
109.10157	35.2
110.06025	1.9
111.04427	8.6
111.08106	4.5
115.05457	3.5
117.07038	29.2
119.07806	3.1
119.08594	38.6
121.06505	26.2
121.09340	2.8
121.10145	45.1
123.08065	7.2
123.11700	10.4
125.02316	3.7
125.09606	3.2
126.05556	9.3
126.06370	2.2
127.03930	16.0
128.06235	4.6
129.05487	4.2
129.07018	18.4
131.04942	3.7
131.08578	35.7
133.06526	4.4
133.10152	28.4
135.08093	9.4
135.11710	24.1
137.09612	5.2
140.04707	23.9
141.06941	4.2
142.07642	2.4
143.08556	11.1
145.04930	4.0
145.06456	3.2
145.10121	33.2
147.08044	4.8
147.11688	22.1
149.05989	16.2
149.09599	6.5
149.13264	16.6
151.11223	2.2
153.05461	9.0
153.09088	2.7
155.08524	5.9
156.09389	2.5
157.10153	14.8
157.40555	2.0
159.08109	3.7
159.11708	20.9
161.09656	4.3
161.13289	13.3
163.07501	2.7
163.11249	4.4
163.14789	6.6
165.06941	2.0
167.08562	3.3
169.10124	7.4
171.08138	3.8
171.11655	12.0
173.09619	3.6
173.13261	18.9
175.11209	2.2
175.14845	7.3
181.08609	58.8
181.10080	3.6
183.11714	7.1
185.09578	5.4
185.13289	11.3
187.11253	5.5
187.14838	7.9
189.12729	3.8
195.11676	3.0
197.09691	2.8
197.13289	4.3
199.11220	2.4
199.14857	4.7
201.12653	2.5
203.14311	2.2
205.15990	2.1
209.13272	3.7
221.15324	2.5
225.12816	2.0
227.17850	2.3
235.13286	4.0
241.19470	4.1
243.13818	2.9
243.21077	7.6
249.14899	2.6
255.38058	2.0
259.20593	7.5
261.22162	24.8
271.16879	2.9
273.22098	2.7
277.14566	3.2
277.21613	8.4
285.22241	2.7
289.18329	2.2
289.21631	4.6
291.23264	4.2
295.15225	2.3
297.21994	2.6
301.21561	3.7
303.23209	12.6
315.23053	6.8
319.22363	2.7
327.23303	6.3
341.24823	6.4
345.24451	2.6
351.23083	10.0
369.24243	18.2
387.25330	18.2
405.26404	17.4
407.72818	2.0
422.29428	2.2
423.27527	3.0
560.23718	4.8
588.23199	2.6
620.43787	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	619.361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	9.7
55.05268	2.1
55.05513	24.7
56.83504	1.3
57.03438	13.3
57.07083	8.3
65.03950	1.5
67.05511	40.6
69.03444	2.3
69.07073	19.5
71.04989	2.7
71.08632	5.3
71.10973	2.4
73.02905	3.0
79.05504	15.5
81.07059	23.3
81.75877	1.4
83.04990	2.8
83.08627	22.7
85.02915	2.4
85.06535	2.3
85.10207	1.2
87.04466	6.0
87.80633	1.4
91.05493	15.2
93.07050	15.0
95.04980	4.3
95.08613	17.7
96.99560	1.3
97.06544	4.5
97.10197	11.9
98.98476	52.7
105.07038	7.2
106.93156	1.5
107.08582	9.3
109.06523	2.6
109.10166	29.4
111.08080	3.1
111.11729	1.7
117.07001	2.4
119.08595	9.8
121.10168	8.7
123.08075	1.6
123.11684	2.0
125.09634	2.5
126.50949	1.4
133.10066	1.9
135.08084	2.3
135.11714	4.9
137.00017	3.8
137.09613	5.0
145.10109	2.7
147.11711	3.3
153.09164	3.3
153.82227	1.6
155.01048	38.3
155.10677	3.3
160.63428	1.3
160.83994	1.5
163.11244	1.6
173.11748	11.4
175.11151	1.8
183.00513	10.0
192.37225	1.2
193.12302	3.4
198.77794	1.2
211.13303	100.0
227.12914	1.7
229.14377	11.7
234.07571	1.4
237.22119	10.3
247.28090	1.4
291.09961	2.2
309.11017	16.6
311.25815	23.2
365.13611	16.8
383.14630	16.5
447.34521	2.7
465.35699	7.0
521.38171	5.9
601.43347	1.6
619.35571	8.4
619.44910	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	619.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.01856	1.8
55.05515	58.0
65.03932	2.5
67.01849	1.6
67.05496	3.2
69.03426	1.9
71.12390	1.6
71.23083	0.8
79.05496	7.6
81.03407	1.2
81.07053	6.3
82.58107	0.8
83.04983	100.0
85.02885	2.1
91.05486	26.3
93.07047	9.3
95.04959	7.5
97.02907	2.1
103.05474	1.9
105.03409	1.0
105.04521	1.9
105.07035	7.6
107.04964	7.4
107.08595	0.9
109.06516	2.7
113.02367	0.8
115.05468	3.2
115.54640	1.1
117.07018	5.6
119.04955	7.3
119.08566	3.1
121.06516	5.8
121.10184	1.0
123.04459	0.9
123.08096	1.0
128.06232	9.9
129.07011	12.2
130.07808	2.3
131.08565	7.2
133.06480	2.2
133.10094	1.4
135.04434	8.5
137.05972	9.4
141.06989	12.5
142.07800	5.5
143.08563	12.5
145.06465	3.7
145.10120	3.7
146.85110	0.8
147.04437	4.2
147.08055	3.6
149.06006	2.4
149.09558	1.1
152.06198	2.3
153.07002	6.9
154.07768	15.3
155.08551	5.9
156.09340	1.9
157.06493	3.5
157.10136	3.1
158.07298	4.4
159.08064	2.7
159.11664	2.2
161.06001	1.4
161.09619	1.0
163.03941	3.1
165.05489	7.6
165.07028	3.5
166.07822	2.5
167.08556	4.4
169.06447	2.0
169.10114	19.1
171.08052	7.3
171.11700	2.6
172.08833	1.7
173.05940	1.6
173.09612	2.9
178.07751	2.9
179.08595	8.6
181.06485	2.7
181.10127	1.7
182.07269	6.6
183.08022	2.2
183.11681	1.2
185.09567	4.5
187.07552	2.6
187.11234	4.2
189.09203	1.3
195.08112	1.7
197.07806	1.7
197.09628	31.0
197.99429	1.0
199.07527	1.6
199.11203	3.0
201.09102	2.3
207.08015	1.1
213.09132	2.3
215.07036	1.9
215.10645	9.1
225.09094	19.2
229.08525	2.1
241.08633	1.2
243.10170	54.8
245.11641	1.2
253.32262	1.0
259.09702	9.5
261.11328	1.5
341.13708	2.0
343.15408	42.5
344.15298	0.9
372.37375	1.0
372.42249	0.9
463.28342	1.2
474.42615	0.9
573.98883	1.0
619.24054	1.0
619.43127	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60680	1.1
53.03946	1.6
53.57811	1.1
55.01876	12.6
55.05275	2.0
55.05516	28.7
57.03447	13.5
57.07082	9.0
59.04987	2.2
65.03938	1.9
67.05511	44.9
69.03441	2.1
69.06734	1.7
69.07079	24.7
71.04990	2.8
71.08633	6.2
71.10843	1.3
71.11176	1.2
73.02924	2.7
74.09692	3.0
79.05496	15.4
81.03404	1.2
81.07066	27.0
83.04968	3.4
83.08163	1.4
83.08630	22.2
85.02913	3.6
85.06537	2.0
85.10181	2.4
86.35619	1.2
87.04464	4.8
91.05492	15.9
91.15751	1.4
93.07057	16.2
95.04960	3.9
95.08063	1.7
95.08617	20.0
97.06551	5.8
97.10188	13.4
98.98476	56.4
105.07050	6.2
107.08602	11.6
109.06550	1.8
109.10165	33.0
111.08083	4.9
111.11707	2.8
117.07051	1.3
119.08603	10.8
121.10149	8.5
123.08077	1.9
123.11692	2.5
125.09630	3.5
129.06993	2.2
133.10144	2.5
135.08052	3.3
135.11693	4.5
136.99997	5.3
137.09613	4.4
139.11224	2.2
145.10107	2.2
147.11670	4.0
153.09117	1.8
155.01056	44.9
155.10609	4.2
157.10162	2.5
159.36363	1.2
163.11232	1.1
163.33472	1.3
165.12697	1.9
173.02196	1.2
173.11777	12.3
175.11230	1.3
183.00565	10.8
193.12250	4.1
202.97028	1.4
211.03419	1.1
211.13312	100.0
212.13628	1.8
216.91080	1.1
219.21056	1.4
229.14412	10.7
237.20285	1.0
237.22214	8.8
267.15771	1.0
283.15088	3.6
289.18188	1.3
291.09912	2.1
309.11026	19.7
311.25824	26.4
313.27591	2.0
365.13626	15.9
383.14728	18.5
419.30630	1.2
447.34680	2.8
465.35742	8.6
494.48349	1.5
521.38330	4.4
601.34686	2.4
619.42719	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	618.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81877	2.3
51.02377	3.2
51.12494	2.1
52.63274	2.3
53.03938	7.1
54.08665	2.3
55.01852	3.9
55.05514	34.1
55.76643	2.3
57.07074	11.0
57.18736	2.1
59.04989	2.5
59.13928	2.3
63.69005	2.1
65.03948	4.0
66.80819	2.1
67.05500	28.9
69.03434	13.9
69.07066	16.8
69.44763	11.9
69.45190	6.1
71.04990	6.2
77.03953	2.4
77.20011	2.4
79.05489	33.6
81.03445	3.2
81.07059	50.0
83.04990	16.3
83.08622	48.2
85.06539	6.2
87.04458	4.4
91.04986	2.2
91.05487	50.5
92.05784	4.4
92.06300	2.8
93.07045	64.0
95.04967	30.8
95.08611	40.9
96.23045	2.6
97.06545	21.6
99.04440	7.7
100.14874	2.7
103.05518	3.2
105.04509	4.4
105.07037	100.0
107.04987	4.3
107.08600	65.1
108.08934	3.8
109.06528	23.5
109.10172	24.0
111.08098	5.5
113.09636	5.4
115.05424	3.4
117.07019	21.8
119.08591	75.3
121.06516	15.0
121.10143	38.9
122.10460	4.6
123.08060	33.6
123.11709	7.8
125.06010	6.1
125.09623	15.2
128.06250	13.0
129.07010	20.4
130.07787	6.0
131.08578	51.2
132.09396	2.3
133.06491	6.3
133.10136	49.0
135.08072	20.2
135.11696	10.3
136.06163	3.7
137.05998	3.7
137.09595	14.2
139.07539	4.9
139.11189	8.6
141.06966	8.0
142.07777	25.7
143.08572	42.2
144.09315	9.7
145.06503	5.5
145.09068	4.5
145.10141	68.5
146.10558	4.1
147.08047	17.1
147.11703	19.9
149.09634	15.5
151.07550	14.8
151.11140	4.2
153.07060	3.1
155.08556	19.4
155.10658	9.3
156.09380	13.8
157.10138	63.1
158.10841	10.6
159.08112	16.0
159.11702	43.2
160.08873	13.5
161.09650	14.2
161.13278	10.8
163.11165	19.6
165.06993	3.3
165.09114	29.9
165.12692	3.1
166.07703	5.9
167.08553	7.9
167.10672	13.8
168.09332	8.5
168.11076	3.0
169.10164	26.2
170.10854	11.0
171.10263	4.8
171.11694	30.9
172.12366	6.6
173.09615	9.4
173.13268	16.8
175.11205	17.6
175.14835	4.2
177.12784	3.7
178.09822	3.3
179.08530	7.8
179.14319	5.6
180.09326	3.0
181.10164	16.6
181.12247	31.0
182.10852	11.6
182.12445	4.4
183.11716	28.8
184.12311	5.2
185.13258	18.2
186.13867	3.6
187.11217	5.8
187.14818	9.4
189.12756	14.2
190.13515	7.3
191.14253	12.1
193.10133	8.9
193.12280	4.9
194.10852	7.2
195.11703	16.9
195.13426	3.7
196.12373	8.2
197.09653	4.6
197.13232	24.0
199.11154	8.7
199.14830	8.1
201.12744	4.5
201.16324	3.3
203.14400	15.8
206.10765	4.6
207.11702	9.2
207.13805	12.4
208.12411	6.8
208.14571	15.5
209.13251	21.1
209.15259	4.5
210.14000	5.1
211.11128	4.5
211.14859	14.0
213.12796	7.5
213.16370	3.6
215.14330	7.5
219.11795	3.8
219.13800	4.0
220.12450	4.0
221.13261	10.2
221.15335	78.6
222.13806	3.8
222.15735	7.7
223.14835	9.0
224.15381	3.0
225.12872	4.9
225.14563	11.9
225.16722	5.3
227.14310	4.3
227.17821	3.0
229.15944	3.1
233.13213	7.2
233.15392	21.4
234.16125	17.4
235.14804	6.7
237.12708	6.1
237.16519	5.9
238.13609	2.8
239.14261	2.5
239.17847	3.1
246.16228	3.6
247.14738	4.0
247.16985	14.0
249.16367	7.3
251.18086	4.2
253.15736	2.8
255.17448	9.5
261.16251	3.4
263.17932	5.0
265.15906	3.2
269.19147	3.2
273.18463	6.7
274.19330	4.3
275.17566	3.5
281.15817	3.7
281.18967	4.6
285.18628	4.2
286.19104	7.2
287.20129	39.0
297.18652	3.3
298.19077	2.7
299.20306	12.9
300.20737	4.0
303.19489	4.4
312.20810	6.0
313.21579	3.6
325.21786	11.9
329.20993	4.3
337.21533	6.1
339.23380	4.6
352.23969	66.1
353.24884	4.1
365.24634	13.5
367.26102	5.0
373.25400	3.0
379.26157	3.1
395.25772	5.8
438.31641	3.5
472.31662	6.0
510.11832	3.5
520.35620	3.9
525.35657	5.8
538.28601	4.4
538.36591	83.0
600.41431	12.2
618.42639	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	3.0
53.03943	6.1
53.66135	1.9
55.01871	5.3
55.05517	44.6
57.07072	12.4
59.05010	3.2
65.03943	4.0
67.05175	3.7
67.05507	36.5
69.03422	13.6
69.07079	17.0
71.04993	9.2
77.03929	2.6
79.05499	36.4
80.06263	2.3
81.03386	2.1
81.07062	53.2
82.07416	2.8
83.04992	23.5
83.08621	57.6
85.06544	9.1
87.04481	5.3
89.06045	3.5
91.05495	55.2
93.07052	70.0
94.07385	3.9
95.04982	26.6
95.08601	33.5
96.08932	3.3
97.06533	23.1
97.84887	2.2
99.04458	5.4
99.08121	2.5
103.05462	4.6
104.06279	2.5
105.04536	2.2
105.07037	100.0
106.07325	3.6
107.04921	3.1
107.08602	64.6
109.06538	17.5
109.10164	27.4
111.08099	7.4
113.09676	8.2
115.05478	7.1
116.06274	3.6
117.07020	25.8
119.06064	2.1
119.08591	80.1
121.06500	12.2
121.10155	48.3
122.07330	2.6
122.10508	3.6
123.08081	25.1
123.11703	7.8
125.06009	5.9
125.09640	18.2
127.11243	2.4
128.06239	17.7
129.07027	22.3
130.07793	9.5
131.08585	44.8
132.09453	4.3
133.06534	4.6
133.10136	52.5
135.08055	21.6
135.11697	8.6
137.09663	10.3
138.09952	2.2
139.11179	11.8
141.07004	12.4
142.07806	26.1
143.08589	53.3
144.09410	14.3
145.06487	6.2
145.10136	70.1
146.10796	3.6
147.08064	17.0
147.11691	19.3
148.08388	2.7
149.09642	17.7
149.13275	4.3
151.07570	13.1
151.11176	3.5
153.06995	5.3
153.09050	2.7
154.07780	3.0
155.08571	19.7
155.10666	14.3
156.09370	22.7
157.10139	58.8
158.10789	9.6
159.08073	14.0
159.11710	35.5
160.08862	13.2
160.12100	3.8
161.09622	14.1
161.13297	7.1
163.11172	14.8
164.11536	3.3
165.07031	5.0
165.09125	12.5
165.12822	3.5
166.07761	4.2
167.08574	14.4
167.10655	18.0
168.09407	5.2
169.10167	32.3
170.10991	10.5
171.08034	3.6
171.10266	4.4
171.11700	38.3
172.12318	3.0
173.09624	12.0
173.13289	15.5
174.13628	2.5
175.11189	9.3
175.14821	2.8
177.12764	2.9
179.08522	14.9
179.14359	6.2
180.09335	6.4
181.10173	22.0
181.12231	29.8
182.10918	13.1
183.11716	25.1
184.12355	5.2
185.09657	6.5
185.13264	16.9
186.13974	4.3
187.11206	6.1
187.14848	9.8
188.11833	3.1
189.12767	8.8
190.13602	2.9
191.14313	9.0
192.09393	4.0
193.10165	19.2
194.10901	8.2
195.11693	25.0
196.12428	8.3
197.09694	3.9
197.13254	38.1
198.13846	7.8
199.11234	6.5
199.14815	14.2
201.12679	5.4
203.08488	2.5
203.14384	7.8
204.14815	2.7
206.10872	4.5
207.11716	13.9
207.13864	10.3
208.12445	8.6
208.14418	4.4
209.13260	27.8
209.15216	3.4
210.14024	7.6
211.11259	6.3
211.14874	18.4
212.15501	4.9
213.12773	6.3
213.16393	5.0
215.14313	17.1
216.14812	2.4
218.10956	2.5
219.11694	8.7
220.12454	6.6
221.13254	16.8
221.15411	34.1
222.13910	5.5
222.15782	9.1
223.11159	3.3
223.14880	15.2
225.12727	4.9
225.14841	12.2
225.16658	5.1
227.14397	4.5
231.11717	3.2
231.13867	3.7
233.13248	9.2
233.15411	36.5
234.13829	4.0
234.15947	5.3
235.14830	13.0
236.15382	3.1
237.12793	3.5
237.16394	9.1
239.14258	3.0
239.17909	3.6
241.15904	3.5
245.13248	5.5
245.18933	3.1
246.13940	3.4
246.16246	4.4
247.14781	6.2
247.17056	5.0
248.15550	2.7
249.16383	7.7
251.17863	5.7
253.15866	2.8
253.19528	3.3
255.17473	29.4
257.13269	2.7
259.14767	4.0
261.16403	5.7
263.17953	6.5
265.19540	4.3
267.17368	3.3
269.18872	3.3
270.19839	5.9
271.20673	5.0
273.16068	3.1
273.18597	3.4
275.17950	4.7
277.19687	3.6
281.19073	5.0
282.19775	2.9
283.01968	2.9
283.20605	3.7
286.19214	6.1
287.19955	6.9
291.21335	2.8
294.19733	2.6
295.20636	5.0
299.20120	4.7
300.20755	2.2
301.19415	2.8
303.17368	2.5
307.20322	2.6
309.22156	3.1
311.20279	4.1
312.10144	2.2
331.24118	3.9
333.22079	2.9
334.22919	4.3
337.25229	4.5
349.25235	5.2
365.24686	5.7
367.26236	4.0
383.26019	10.3
414.29263	2.5
439.29599	2.3
539.22217	2.7
582.40662	5.4
600.41125	9.1
618.26111	3.0
618.42413	27.3
619.28271	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	618.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.2
55.05520	26.5
57.03443	5.5
57.07077	23.2
65.03941	5.0
67.05507	35.5
69.03429	12.5
69.07067	15.2
71.52052	6.5
79.05486	30.4
81.07052	51.7
82.07422	8.4
83.04982	12.3
83.08636	37.0
85.06544	12.5
87.04467	74.0
91.05486	58.2
93.07044	62.6
95.04940	26.5
95.08617	49.4
97.06527	25.8
100.33323	4.4
105.07038	91.1
106.07333	10.0
107.08604	72.1
108.08900	6.9
109.06512	28.2
109.10168	33.6
110.10461	5.8
111.08067	9.4
113.09630	6.3
115.05502	4.2
117.07017	18.2
119.08590	75.7
120.08881	8.4
121.06512	19.1
121.10159	36.4
123.08077	35.3
124.08388	7.7
125.05997	15.3
125.09634	6.2
127.64124	5.1
128.06256	8.6
129.07008	19.1
130.07808	6.5
131.08572	49.1
133.06511	9.5
133.10146	46.4
134.10448	5.5
135.08038	17.4
135.11740	8.9
137.09605	16.4
139.11143	8.7
141.07021	8.8
142.07780	21.5
143.08568	41.1
144.09363	8.7
145.10117	69.0
146.10507	9.2
147.08054	33.7
147.11697	18.4
149.09647	18.1
151.07532	30.0
152.07889	6.8
155.08571	13.1
156.09373	15.4
157.10146	56.4
158.10735	14.3
159.08116	12.3
159.11748	31.9
160.08760	10.3
161.09596	17.3
161.13286	11.7
163.11163	28.6
165.09122	41.0
167.10631	10.4
168.09428	6.3
169.10133	19.5
170.10788	8.0
171.11685	31.9
172.12323	9.3
173.13287	15.1
175.11217	21.3
175.14841	8.2
177.09090	5.4
179.08516	11.1
181.10161	10.6
181.12271	35.8
182.10902	9.8
182.12547	9.9
183.11710	20.7
184.12271	9.7
185.13281	19.3
189.12700	14.7
190.13402	5.6
191.14407	6.9
193.10194	6.3
193.12286	10.3
194.10864	7.5
195.11705	15.1
195.13684	7.0
197.13297	17.4
198.13795	5.6
199.11348	6.6
201.12781	10.5
203.14359	18.5
207.13843	15.8
208.14500	11.2
209.13219	16.3
210.13739	7.5
211.14847	17.0
213.12715	8.3
221.13362	6.6
221.15381	95.3
222.15759	18.7
223.14862	8.4
224.15482	6.3
225.12659	8.7
225.14671	11.7
227.14445	6.5
227.17645	5.2
231.13916	8.5
233.15436	7.3
234.16129	12.3
235.14743	6.0
247.16943	14.2
248.17485	5.4
255.21077	7.3
281.18991	5.4
286.19299	9.3
287.20087	51.0
290.03214	5.0
299.20032	11.3
300.20706	5.6
312.20923	7.3
325.21658	9.2
329.15775	5.6
329.21152	6.1
337.21567	11.6
345.52548	4.9
352.24045	76.7
353.24597	5.8
356.89084	5.9
365.24969	9.9
373.24820	5.3
395.25635	5.9
438.30972	6.8
472.32178	10.5
525.35535	10.6
526.36096	7.6
538.36560	100.0
600.41437	27.3
618.42303	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81877	2.3
51.02377	3.2
51.12494	2.1
52.63274	2.3
53.03938	7.1
54.08665	2.3
55.01852	3.9
55.05514	34.1
55.76643	2.3
57.07074	11.0
57.18736	2.1
59.04989	2.5
59.13928	2.3
63.69005	2.1
65.03948	4.0
66.80819	2.1
67.05500	28.9
69.03434	13.9
69.07066	16.8
69.44763	11.9
69.45190	6.1
71.04990	6.2
77.03953	2.4
77.20011	2.4
79.05489	33.6
81.03445	3.2
81.07059	50.0
83.04990	16.3
83.08622	48.2
85.06539	6.2
87.04458	4.4
91.04986	2.2
91.05487	50.5
92.05784	4.4
92.06300	2.8
93.07045	64.0
95.04967	30.8
95.08611	40.9
96.23045	2.6
97.06545	21.6
99.04440	7.7
100.14874	2.7
103.05518	3.2
105.04509	4.4
105.07037	100.0
107.04987	4.3
107.08600	65.1
108.08934	3.8
109.06528	23.5
109.10172	24.0
111.08098	5.5
113.09636	5.4
115.05424	3.4
117.07019	21.8
119.08591	75.3
121.06516	15.0
121.10143	38.9
122.10460	4.6
123.08060	33.6
123.11709	7.8
125.06010	6.1
125.09623	15.2
128.06250	13.0
129.07010	20.4
130.07787	6.0
131.08578	51.2
132.09396	2.3
133.06491	6.3
133.10136	49.0
135.08072	20.2
135.11696	10.3
136.06163	3.7
137.05998	3.7
137.09595	14.2
139.07539	4.9
139.11189	8.6
141.06966	8.0
142.07777	25.7
143.08572	42.2
144.09315	9.7
145.06503	5.5
145.09068	4.5
145.10141	68.5
146.10558	4.1
147.08047	17.1
147.11703	19.9
149.09634	15.5
151.07550	14.8
151.11140	4.2
153.07060	3.1
155.08556	19.4
155.10658	9.3
156.09380	13.8
157.10138	63.1
158.10841	10.6
159.08112	16.0
159.11702	43.2
160.08873	13.5
161.09650	14.2
161.13278	10.8
163.11165	19.6
165.06993	3.3
165.09114	29.9
165.12692	3.1
166.07703	5.9
167.08553	7.9
167.10672	13.8
168.09332	8.5
168.11076	3.0
169.10164	26.2
170.10854	11.0
171.10263	4.8
171.11694	30.9
172.12366	6.6
173.09615	9.4
173.13268	16.8
175.11205	17.6
175.14835	4.2
177.12784	3.7
178.09822	3.3
179.08530	7.8
179.14319	5.6
180.09326	3.0
181.10164	16.6
181.12247	31.0
182.10852	11.6
182.12445	4.4
183.11716	28.8
184.12311	5.2
185.13258	18.2
186.13867	3.6
187.11217	5.8
187.14818	9.4
189.12756	14.2
190.13515	7.3
191.14253	12.1
193.10133	8.9
193.12280	4.9
194.10852	7.2
195.11703	16.9
195.13426	3.7
196.12373	8.2
197.09653	4.6
197.13232	24.0
199.11154	8.7
199.14830	8.1
201.12744	4.5
201.16324	3.3
203.14400	15.8
206.10765	4.6
207.11702	9.2
207.13805	12.4
208.12411	6.8
208.14571	15.5
209.13251	21.1
209.15259	4.5
210.14000	5.1
211.11128	4.5
211.14859	14.0
213.12796	7.5
213.16370	3.6
215.14330	7.5
219.11795	3.8
219.13800	4.0
220.12450	4.0
221.13261	10.2
221.15335	78.6
222.13806	3.8
222.15735	7.7
223.14835	9.0
224.15381	3.0
225.12872	4.9
225.14563	11.9
225.16722	5.3
227.14310	4.3
227.17821	3.0
229.15944	3.1
233.13213	7.2
233.15392	21.4
234.16125	17.4
235.14804	6.7
237.12708	6.1
237.16519	5.9
238.13609	2.8
239.14261	2.5
239.17847	3.1
246.16228	3.6
247.14738	4.0
247.16985	14.0
249.16367	7.3
251.18086	4.2
253.15736	2.8
255.17448	9.5
261.16251	3.4
263.17932	5.0
265.15906	3.2
269.19147	3.2
273.18463	6.7
274.19330	4.3
275.17566	3.5
281.15817	3.7
281.18967	4.6
285.18628	4.2
286.19104	7.2
287.20129	39.0
297.18652	3.3
298.19077	2.7
299.20306	12.9
300.20737	4.0
303.19489	4.4
312.20810	6.0
313.21579	3.6
325.21786	11.9
329.20993	4.3
337.21533	6.1
339.23380	4.6
352.23969	66.1
353.24884	4.1
365.24634	13.5
367.26102	5.0
373.25400	3.0
379.26157	3.1
395.25772	5.8
438.31641	3.5
472.31662	6.0
510.11832	3.5
520.35620	3.9
525.35657	5.8
538.28601	4.4
538.36591	83.0
600.41431	12.2
618.42639	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.8
52.75512	1.9
53.03956	4.7
55.01878	2.9
55.05517	12.0
56.96566	6.8
57.03450	2.1
57.07085	11.4
59.05013	3.4
65.03967	1.9
67.05511	18.7
69.03427	10.5
69.07072	11.5
70.82249	6.0
71.04992	3.0
77.77498	2.0
79.05498	22.5
81.07067	28.0
83.04981	8.3
83.08627	4.8
84.96064	5.2
85.06546	8.9
86.51112	1.9
91.05493	35.0
93.07056	39.0
95.04986	19.2
95.08625	26.4
97.06551	9.0
98.20995	2.1
98.97598	4.6
103.05482	2.9
105.04575	2.3
105.07044	50.4
107.05000	2.0
107.08611	33.4
109.06545	13.2
109.10174	16.6
111.08116	2.9
113.06040	1.8
113.09700	2.8
115.05480	3.7
117.07014	11.6
119.08592	43.3
121.06532	7.3
121.10168	29.9
123.08085	33.1
123.11710	4.5
124.99138	2.8
125.06011	10.3
125.09570	2.3
128.06242	7.2
129.06999	11.7
130.07773	3.1
131.08582	23.7
133.06522	4.6
133.10135	29.0
135.08075	17.2
135.11729	7.9
137.06078	2.2
137.09618	15.1
139.11258	4.2
141.07047	5.7
142.07803	13.3
143.00209	3.3
143.08571	32.4
144.09325	3.2
145.06516	2.1
145.10141	31.2
147.08060	19.5
147.11697	13.1
149.09657	10.0
149.13347	2.8
151.07559	48.8
153.09148	3.8
155.08604	7.6
155.10707	2.6
156.09352	11.4
157.10147	25.4
158.10950	4.0
159.08107	6.1
159.11729	12.9
160.12152	2.3
161.09605	11.1
161.13300	8.2
163.11214	17.1
165.06998	5.1
165.09142	47.0
167.08618	4.1
167.10692	5.8
168.09457	3.8
169.10121	10.3
170.10890	4.3
171.11713	23.1
173.09686	5.8
173.13286	9.9
175.11266	5.7
175.14868	4.4
177.09184	2.8
177.12793	2.8
179.08571	3.2
179.10767	3.1
181.10187	6.5
181.12254	18.7
182.10884	2.6
182.79997	2.1
183.11691	13.1
185.09634	2.6
185.13277	8.9
187.11241	7.2
187.14839	2.6
189.12796	13.7
191.10751	2.3
191.14458	5.5
193.10338	4.5
194.10971	3.1
195.11780	8.7
195.13806	1.9
197.13237	11.8
199.11131	2.5
199.14864	8.6
201.00856	2.1
201.12793	4.9
203.14369	22.7
206.10921	3.6
207.11784	7.0
207.13867	16.3
208.12488	3.4
209.13318	9.3
209.15411	5.4
210.13962	2.2
211.11258	3.2
211.14871	4.8
213.12781	5.0
213.16463	2.4
215.14441	4.8
219.11893	2.5
221.13374	5.5
221.15376	100.0
223.14726	3.7
225.12932	2.9
225.16386	6.4
227.14258	2.7
229.12299	2.8
229.15813	3.5
231.11679	2.9
233.13387	2.5
233.15446	3.0
237.12888	2.4
237.16615	2.2
247.14816	2.8
247.17041	4.1
249.16510	3.8
251.18095	2.8
253.19760	2.8
264.97070	3.4
269.19083	2.7
271.16965	3.8
279.21133	2.0
282.97876	3.8
285.18640	3.2
286.19373	18.7
287.20172	6.1
300.20969	3.2
300.98956	2.6
312.20917	2.5
313.21652	6.3
317.18036	7.9
325.22012	2.4
351.23102	3.4
391.26416	2.2
409.27231	3.2
507.34247	2.3
525.35455	2.6
537.36084	4.1
538.22345	7.7
539.23114	3.3
599.41205	13.4
617.23376	25.3
617.42029	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4194
Annotation	Fucoxanthinol
Peak:m/z	Relative Intensity
51.02385	3.7
53.03939	7.9
53.17645	2.4
55.01873	3.2
55.05516	24.7
57.07076	13.0
57.17669	2.5
59.04996	5.3
65.03942	4.5
67.05505	29.2
69.03425	12.2
69.07073	22.4
71.05000	6.6
71.11622	4.7
71.11980	3.6
75.74557	2.3
78.94449	2.7
79.05499	42.4
81.07063	56.7
82.07407	4.5
83.04974	15.9
83.08616	13.6
85.06542	8.2
85.72970	2.4
87.04505	2.8
91.05486	61.6
93.07050	88.5
94.07385	5.2
95.04974	19.0
95.08608	37.2
97.06535	17.9
97.10190	3.0
99.08028	3.2
103.05452	4.2
105.04529	3.3
105.07036	100.0
107.08597	74.9
108.08890	3.6
109.06525	30.1
109.10164	25.6
111.08105	10.8
111.11658	4.5
113.09655	4.4
115.05459	8.5
116.06284	4.6
117.07012	24.7
119.04981	4.4
119.08585	75.7
121.06500	12.1
121.10151	82.7
121.11036	5.4
122.10453	4.7
123.04496	2.9
123.08078	24.8
123.11735	8.5
124.08373	3.0
125.05975	9.4
125.09621	10.1
128.06259	12.9
129.07024	23.6
130.07788	13.1
131.07608	4.1
131.08571	54.6
133.06497	6.9
133.07558	3.3
133.10150	46.2
134.10460	2.9
135.08049	19.7
135.11736	13.0
137.09633	14.6
139.11206	7.2
141.06990	13.2
142.07788	26.1
143.08583	48.8
144.09314	9.5
145.06477	4.7
145.10127	66.2
146.10518	4.8
147.08064	19.7
147.11714	19.5
149.09627	21.6
149.13316	3.4
151.07581	14.5
151.11201	4.1
153.06992	7.4
154.07785	4.4
155.08575	21.2
155.10699	8.2
156.09360	18.2
157.10139	57.4
158.10872	5.9
159.08061	12.3
159.11696	42.4
161.09631	15.4
161.13278	5.7
163.11215	26.6
165.07060	6.9
165.09129	19.6
166.07787	3.8
167.08598	13.8
167.10678	78.6
168.09457	5.6
168.10928	6.6
169.10149	25.3
170.10905	10.3
171.11653	35.3
172.08621	3.5
172.12077	3.4
173.09613	8.1
173.13321	16.4
174.10326	3.8
174.13728	3.8
175.11191	10.7
175.14845	7.4
177.09148	4.5
177.12764	3.7
179.08582	12.6
180.09410	6.3
181.10168	18.7
181.12186	20.7
182.10857	11.5
183.11694	25.7
184.12311	5.4
185.09621	6.3
185.13251	16.2
187.11188	11.2
187.14859	8.5
189.12770	9.6
191.10609	2.9
191.14429	5.1
192.09360	4.6
193.10138	16.6
194.10823	10.8
195.11690	22.5
196.12366	8.1
197.13290	29.1
198.13641	4.4
199.11230	8.2
199.14845	11.5
201.12770	5.6
203.14299	12.2
205.10205	5.0
206.10840	7.4
207.11679	14.9
207.13770	9.3
208.12402	5.6
209.13255	20.4
209.15033	3.7
210.13879	4.5
211.14880	13.7
213.12776	4.4
213.16277	3.2
215.14299	11.9
215.17894	2.9
217.10075	3.5
217.12160	3.0
219.11783	3.5
219.13802	4.8
220.12303	3.4
221.13243	12.9
221.15419	38.9
222.13893	4.9
223.14853	17.5
225.12740	4.0
225.16446	6.0
226.16574	3.0
227.14279	4.9
229.15729	3.0
230.34621	2.8
231.11780	4.8
233.13261	8.3
233.15440	19.1
234.16096	5.0
235.14839	8.1
237.12709	4.1
237.16507	6.3
239.14240	2.8
245.13188	5.8
247.14793	4.8
247.17094	3.4
249.16365	7.8
250.16998	3.6
251.18066	5.0
255.17580	6.6
259.14801	4.2
261.16266	3.8
265.19427	3.5
270.76675	2.9
272.46619	3.0
273.18622	3.5
277.19696	3.7
285.18787	5.5
286.19412	4.7
287.20071	8.0
299.20145	12.4
300.20761	15.1
309.18488	2.8
311.20026	6.9
313.21585	6.2
361.25128	5.2
365.24634	4.9
379.26224	4.9
417.28110	3.9
483.67017	2.6
494.33228	4.8
574.39264	4.3
585.26898	8.1
599.40936	9.3
617.30420	4.8
617.42010	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	617.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.5
53.44405	2.9
55.05518	21.3
57.07071	12.4
59.04992	5.3
65.03923	5.9
67.05511	38.2
69.03434	15.9
69.07075	23.8
71.04979	9.1
77.01411	3.1
77.03923	4.4
79.05499	46.0
81.07056	52.3
83.04983	20.0
83.08617	15.4
85.06548	6.4
91.05490	69.1
93.07049	85.8
95.04985	23.8
95.08616	43.2
97.06540	20.8
97.10190	3.4
100.65308	3.0
103.05465	8.6
105.04528	3.6
105.07040	100.0
106.07316	4.3
107.04955	4.7
107.08604	76.1
108.08920	3.5
109.06520	26.8
109.10170	28.3
111.08079	7.2
111.11692	3.6
115.05459	6.7
116.06289	3.6
117.07038	25.1
119.08588	76.0
120.08868	5.7
121.06512	16.1
121.10150	91.1
123.08109	26.6
123.11710	12.2
125.06018	10.7
125.09634	12.4
128.06224	14.6
129.07019	23.4
130.07806	8.2
131.08578	40.3
133.06497	9.3
133.10135	51.4
135.08047	25.3
135.11699	17.6
137.09642	14.1
139.11220	9.6
141.06998	12.2
142.07784	26.9
143.08582	46.2
144.09340	9.9
145.06499	5.4
145.10127	74.3
146.10556	3.6
147.08043	24.3
147.11751	19.2
149.09624	29.8
151.07556	26.2
154.07666	6.5
155.08569	18.9
155.10635	4.9
156.09383	19.2
157.10139	54.5
158.07253	3.9
158.10719	9.6
159.08061	7.1
159.11705	39.0
161.09647	16.0
161.13272	11.2
163.11215	25.3
165.06989	8.8
165.09132	28.7
166.07741	4.3
167.08533	13.0
167.10666	78.8
168.09286	4.1
168.10907	4.5
169.10127	27.9
170.10869	7.6
171.11703	42.2
172.12291	4.7
173.09642	11.5
173.13248	14.7
175.11189	9.6
175.14778	4.4
177.09070	4.2
177.12784	7.4
179.08594	10.8
180.09340	4.5
181.10124	15.3
181.12312	21.1
182.10864	8.5
183.11716	25.9
184.12408	3.7
185.09584	5.2
185.13292	20.6
187.11198	9.0
187.14830	5.1
189.12746	12.5
191.14302	7.6
193.10155	11.6
193.12061	3.6
194.10934	9.1
195.11710	17.6
195.13611	3.3
196.12460	7.3
197.13307	22.3
198.13760	5.1
199.11234	7.6
199.14876	12.1
201.12756	8.1
203.14383	15.8
207.11694	15.8
207.13828	17.2
208.12376	7.2
209.13252	21.6
209.15334	8.6
211.14856	10.4
213.12752	5.4
213.16313	4.9
215.14426	9.6
217.10223	4.7
218.10924	5.0
219.14037	4.1
221.13190	12.5
221.15323	75.0
221.17316	2.8
222.13852	4.9
223.14821	17.8
225.12810	4.2
225.16316	8.9
227.14336	6.5
227.17796	4.2
233.13116	8.3
233.15425	22.9
234.16165	5.7
235.14845	8.7
239.14360	6.2
245.13087	3.8
246.13864	4.1
247.14757	4.7
247.16928	7.3
249.16420	5.9
251.17880	4.4
255.17407	4.4
261.16357	4.5
263.17969	6.3
282.19513	4.5
286.19275	10.4
287.20135	10.7
299.20050	8.4
300.20834	11.4
307.20773	3.7
311.20129	4.3
312.20609	3.6
352.23663	3.5
361.25122	4.3
362.25854	4.6
379.26389	5.0
495.33063	3.8
514.79578	3.6
537.35797	4.0
585.26642	12.0
599.41241	18.5
617.42090	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	617.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48940	2.0
53.03945	7.6
54.30312	1.6
55.01868	5.3
55.05503	7.8
57.03444	10.1
63.25172	1.7
67.05499	8.5
69.03440	4.1
69.07059	4.1
69.58659	1.7
70.06565	2.0
71.01366	8.8
71.04978	5.1
71.51348	2.4
73.02915	16.4
73.20991	1.7
79.05498	24.3
81.07052	30.2
83.04993	4.5
83.57127	1.8
85.02905	24.8
85.06537	3.5
87.04468	2.2
91.05485	32.1
93.07044	100.0
95.01328	4.4
95.04962	10.9
95.08591	4.0
96.51920	1.8
97.02895	4.9
97.06544	11.1
99.04453	6.7
101.02407	3.9
103.03950	2.8
105.04517	2.5
105.05482	2.0
105.07034	46.7
107.04933	5.2
107.08599	37.1
109.02880	1.9
109.06528	18.9
113.02338	10.3
115.03903	2.2
117.07055	4.7
119.04939	4.1
119.08579	30.1
120.87365	1.8
121.06506	81.7
121.07382	4.0
121.10092	1.9
123.04431	2.5
123.08112	2.0
125.05980	1.9
127.07520	9.2
128.06244	2.1
129.05527	2.4
129.07002	8.0
130.07800	2.1
131.03366	4.0
131.08534	5.6
133.04973	2.2
133.06467	3.9
133.10133	21.2
135.07019	2.2
135.08057	34.9
137.05965	3.7
139.07535	8.5
141.01816	6.9
141.05429	2.4
142.07799	4.4
143.08571	13.7
145.10126	13.3
147.08060	7.0
147.11693	31.2
153.09088	19.3
155.08543	2.2
156.09357	5.9
157.10123	16.4
159.02904	4.1
159.07991	3.8
159.11639	2.4
161.06023	2.4
161.09628	6.3
161.13254	14.7
169.08617	2.9
170.33646	2.0
171.11667	24.3
173.09636	2.9
175.07550	2.3
175.11186	23.2
181.10211	3.2
187.06024	2.6
189.12743	51.3
193.12270	2.6
195.10129	6.4
199.11177	20.4
200.74614	1.9
207.13806	7.0
215.05351	4.3
217.12234	87.3
226.36960	2.5
235.13290	12.9
253.14529	2.3
259.12958	2.0
291.15903	6.5
309.16891	5.9
321.16891	5.1
325.16354	2.5
349.16513	12.8
367.17526	2.8
394.09537	2.9
423.20380	9.3
425.17856	2.2
441.21509	4.9
449.17743	2.6
499.34595	2.8
617.24652	11.2
627.24335	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	617.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.2
55.01882	5.0
55.05512	6.2
57.03452	8.4
57.38984	1.6
61.02954	1.5
67.05511	6.8
67.16704	1.5
69.03442	4.7
69.07070	3.6
70.05746	3.2
70.06143	3.1
71.01357	9.7
71.04996	4.7
73.02631	1.1
73.02930	13.1
73.22711	1.2
73.90817	1.7
75.04489	2.0
77.03929	1.6
79.05067	2.7
79.05502	26.8
81.03445	1.6
81.07066	32.9
83.01307	1.5
83.04980	3.4
85.02914	25.5
85.06544	2.0
85.82870	1.9
87.04471	4.0
91.05484	28.3
93.07052	100.0
95.01344	6.1
95.04994	10.7
95.08614	4.3
97.02915	7.0
97.06541	12.6
99.00821	1.6
99.04470	6.6
101.02402	3.3
101.06035	2.8
103.03949	6.0
105.04549	3.3
105.07044	40.0
107.04959	3.2
107.08606	37.3
107.82555	1.5
108.74833	1.5
109.06528	18.4
113.02374	11.7
113.06013	1.7
115.03963	2.8
115.05453	1.8
117.05502	1.6
117.07034	4.8
118.29830	1.5
119.04939	1.5
119.08602	29.4
121.06521	77.8
123.04491	3.3
123.08058	2.2
127.07602	8.7
128.06195	1.9
129.05522	3.6
129.07002	8.2
131.03409	3.5
131.08557	6.6
133.04936	2.6
133.06540	3.8
133.10127	20.0
135.08060	35.8
135.09003	2.4
137.06007	3.7
138.09186	1.5
139.07561	9.3
141.01811	6.8
141.05510	3.3
142.07779	7.1
143.08588	11.0
145.06487	2.3
145.10147	11.2
147.08040	7.3
147.11702	33.6
153.09117	19.7
155.08560	1.8
156.09377	6.3
157.10139	18.2
159.02960	2.3
159.06654	1.8
159.07990	2.3
161.06006	2.9
161.09660	4.0
161.13284	14.6
165.07248	2.1
169.04945	1.5
171.11732	24.1
173.09618	4.1
173.13300	1.7
175.11197	29.0
181.10133	2.4
183.06566	1.8
187.05986	3.2
187.11343	1.6
189.12759	57.2
193.08194	1.6
193.12277	2.8
195.10156	5.0
197.04358	1.6
199.11217	21.5
207.13800	7.0
215.05486	3.9
217.12262	86.7
229.12308	1.6
235.13306	14.6
253.14236	1.5
267.12335	1.6
291.15942	8.0
309.17038	5.0
316.52908	1.5
321.16986	6.9
331.15436	2.1
331.35349	1.6
349.16422	9.5
367.17517	2.4
405.77783	1.6
423.20169	8.1
441.21301	3.5
467.19730	2.2
617.24408	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	617.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
52.38221	0.7
53.03939	3.9
55.01870	2.4
55.05513	70.4
56.05827	0.7
57.07073	1.0
57.18496	0.7
59.05010	0.9
65.03942	9.3
67.01853	4.3
67.05508	7.3
69.03432	3.7
69.07075	2.0
70.11033	0.6
71.04984	1.1
71.10789	0.6
71.12038	1.5
79.05501	8.0
81.03416	1.5
81.07072	5.1
83.04983	100.0
83.08630	1.5
85.06536	0.9
90.33289	0.7
91.05482	12.1
93.03416	5.3
93.07049	10.2
95.04967	9.3
95.08608	4.2
97.02888	1.3
97.06545	2.7
103.05472	2.3
105.03379	1.5
105.04517	1.5
105.07039	13.9
106.07384	0.6
107.04970	5.6
107.08606	6.3
109.02877	1.3
109.06554	3.2
109.10149	3.2
111.04446	0.9
113.09720	0.8
115.05457	7.1
116.06241	1.1
117.07016	5.9
119.04951	2.1
119.08582	7.4
121.02865	8.9
121.06503	7.2
121.10130	5.2
123.04446	1.7
123.08073	2.5
123.11768	0.7
125.06018	1.7
125.09657	1.5
127.11244	1.0
128.06213	10.6
128.91864	0.7
129.07018	14.8
130.07756	1.5
131.04961	2.9
131.08565	6.9
133.06506	7.9
133.10165	3.5
135.04422	4.5
135.08032	3.2
135.11676	1.1
137.06073	0.9
137.09625	1.2
141.06989	9.4
142.07784	20.1
143.08563	8.7
144.05721	2.2
145.06493	5.9
145.10123	6.1
147.04428	1.9
147.08064	4.0
147.11664	1.7
149.05954	1.2
151.07567	1.5
152.06239	6.6
153.07001	4.1
154.07776	5.7
155.04942	0.9
155.06094	1.1
155.08548	5.7
156.09373	1.1
157.06511	4.3
157.10133	14.2
158.07326	0.9
159.04433	4.5
159.08075	8.1
159.11746	2.7
161.05968	14.3
161.09673	2.5
163.03944	1.1
163.07578	1.0
163.11182	2.6
165.07048	5.7
165.09142	0.8
166.07756	1.8
167.08560	10.6
167.10751	2.6
169.06412	3.9
169.10144	5.7
170.07257	6.6
171.08031	7.3
171.11732	2.1
173.05971	2.8
173.09586	4.7
173.13330	1.3
175.07578	1.0
175.11182	5.0
175.14848	0.7
178.07805	1.1
179.08572	2.3
181.06467	1.3
181.10048	1.2
181.12276	1.8
182.07339	1.6
183.08069	2.8
183.11700	1.5
184.08917	0.8
185.06044	2.4
185.09618	23.3
185.13152	1.0
187.07617	3.2
187.11279	1.3
187.14714	0.8
189.09149	1.8
193.10153	1.6
195.08044	9.2
195.11765	1.8
196.08849	0.9
197.06023	1.6
197.09618	4.2
197.13339	1.5
198.06805	2.8
199.07593	3.4
199.11278	1.4
201.09093	4.8
203.14265	1.0
206.11017	0.7
207.11778	0.9
207.13872	1.2
209.13310	1.4
211.07645	0.9
211.11258	0.8
211.14838	0.9
213.09108	32.8
215.07088	1.9
215.10690	2.5
216.09357	1.0
217.08701	2.0
221.13451	0.9
221.15459	2.6
223.07594	2.6
223.10997	0.9
223.14784	0.9
225.09177	2.3
229.08635	1.7
231.10223	1.4
233.15402	1.8
235.14706	0.8
241.08612	11.4
243.10194	4.5
259.09656	24.0
269.11844	0.9
295.11133	0.9
299.20145	1.0
312.75699	0.7
313.14392	1.3
341.13818	8.6
491.10898	0.8
499.17535	0.7
518.49774	0.7
525.35968	1.3
617.42053	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	615.282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.2
57.07078	1.9
67.05504	7.2
67.19789	1.3
69.07064	3.8
71.50778	1.8
79.05488	5.8
81.07079	7.9
83.04977	2.6
83.08614	2.7
89.06030	7.7
91.05476	5.6
93.07039	6.6
95.04958	2.8
95.08618	6.7
97.06532	2.9
100.00263	1.4
105.07042	7.1
107.08606	4.6
109.10149	4.3
117.07054	1.9
119.08598	6.8
121.10155	4.1
123.08058	3.6
125.09555	1.3
131.08595	2.6
131.97815	1.2
133.08623	4.9
133.10144	3.4
135.08057	2.9
137.09569	2.0
143.08537	4.0
145.10124	3.8
147.08089	1.4
147.11813	1.3
151.07564	2.5
155.08623	1.6
157.10135	3.2
159.08029	2.2
159.11673	3.0
163.11197	1.8
164.10744	3.0
165.09091	2.1
167.10713	1.6
169.10112	1.7
171.11783	1.7
173.13316	1.9
183.11630	1.9
185.13339	1.5
189.12827	2.3
197.13258	1.3
209.13222	1.5
221.15366	4.1
231.11446	3.4
249.14824	5.1
276.14990	1.6
287.19702	1.6
299.20273	1.7
313.15628	1.6
318.15967	1.7
337.27545	1.6
338.12897	1.4
348.17340	1.6
355.30212	1.3
381.20999	2.1
408.19547	1.5
409.19980	8.0
423.21918	4.4
424.22412	4.2
451.21030	2.0
453.18802	10.9
454.19727	2.6
460.87497	1.5
465.23074	1.5
467.20746	5.1
468.21640	26.8
479.23871	3.0
481.22754	2.4
482.22958	4.8
496.24374	3.7
497.25522	1.6
508.24637	3.9
511.27081	6.7
513.24719	1.8
523.23621	3.1
539.26624	7.4
541.24097	2.5
551.22394	2.0
555.26068	100.0
556.26300	4.7
562.37433	1.7
562.95398	1.5
583.25598	47.1
584.26129	2.1
587.28796	8.4
597.39069	1.7
615.27814	10.0
615.40009	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	615.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.05270	1.9
55.05517	24.6
57.03434	5.4
57.07083	8.6
63.87384	1.7
65.03949	2.3
67.05511	53.9
68.05840	1.7
69.07074	27.8
71.04993	3.8
71.08637	3.0
71.23417	2.6
71.23753	1.6
79.05495	26.5
81.07066	61.9
82.07393	1.7
83.05003	2.3
83.08627	13.4
85.06546	2.0
89.06038	4.3
91.05491	22.1
93.07053	40.3
95.04985	3.1
95.08615	49.5
97.06561	4.3
97.10184	8.1
105.07049	21.8
107.08605	26.0
109.10171	26.0
110.86398	1.5
111.08077	3.1
117.07019	7.4
119.08587	25.9
121.10156	19.6
123.08100	1.6
123.11720	9.5
125.09677	2.3
131.08592	18.4
133.10144	21.9
135.11702	16.2
137.13240	5.1
143.08568	5.4
145.10147	14.6
147.11717	14.6
149.13249	7.5
155.08582	3.0
157.10130	5.7
159.11736	10.6
161.13289	8.4
163.14838	7.0
169.10127	2.4
171.11757	4.3
173.13283	8.3
175.14891	5.6
177.16422	3.2
185.13303	4.4
187.14838	4.7
191.18105	1.9
199.14883	2.1
201.16302	2.2
203.18312	2.1
215.18050	2.0
217.19560	1.9
219.21153	2.6
230.67116	1.5
259.20731	4.7
261.22250	8.6
287.23871	2.4
333.24524	1.8
335.25665	7.7
337.27414	10.3
339.29077	3.6
451.39868	1.5
523.45239	6.0
540.24207	1.7
541.46417	3.4
597.48895	15.5
615.49854	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17436	1.3
53.03944	2.8
55.01851	1.4
55.05266	1.9
55.05515	23.2
57.03451	6.2
57.03671	1.2
57.07080	8.4
65.03931	3.2
67.05508	59.4
69.07070	24.8
69.23417	10.8
71.04980	2.5
71.08630	3.9
75.09467	1.1
75.85139	1.0
79.05496	34.7
81.07060	59.2
83.04963	1.1
83.08624	16.5
85.06560	1.9
89.06042	2.7
91.05484	23.8
93.07049	44.2
95.04955	2.4
95.08613	52.6
97.06532	3.8
97.10173	9.0
99.08120	1.4
103.30727	1.1
105.07034	26.4
107.08595	28.9
109.10162	22.8
111.11742	1.9
117.07030	8.8
119.08583	24.1
121.10155	21.0
123.08066	1.9
123.11725	8.9
125.09618	1.2
129.07047	2.9
131.08583	15.3
133.08641	1.2
133.10133	16.9
135.11717	13.6
137.13271	4.4
143.08594	4.6
145.10129	11.9
147.11684	13.0
149.13263	10.6
151.14832	2.4
155.08543	1.4
157.10162	3.9
159.11702	9.6
161.13280	7.3
163.14842	6.0
169.10120	1.4
171.11697	3.3
173.13293	5.4
175.14864	4.8
177.12804	1.4
177.16441	2.1
183.11748	2.0
185.13316	2.8
187.14879	3.9
189.16396	1.7
191.17918	1.5
193.19580	1.2
197.13335	1.9
199.14853	3.5
201.16496	2.0
203.17932	2.3
213.16508	1.5
215.17935	2.8
221.15300	1.4
241.19600	2.4
243.21123	2.5
245.22658	1.3
247.24408	1.4
259.20560	5.5
261.22116	10.0
263.23749	2.0
299.23865	1.2
306.26218	1.2
315.26736	1.2
317.24915	2.3
329.28668	1.4
333.24316	2.8
335.25845	9.2
337.27313	12.0
339.29056	4.7
347.25693	1.3
491.37332	1.6
523.45087	6.2
531.39764	1.4
541.46307	3.4
545.41766	2.1
597.48694	14.4
615.49860	100.0
616.49335	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	615.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.3
55.23111	1.0
58.15745	1.0
67.05504	2.9
69.07060	1.7
71.52262	1.6
79.05485	2.9
81.07074	4.7
83.08609	1.7
89.06037	6.3
91.05521	2.3
93.07029	2.1
95.04992	1.5
95.08598	2.3
107.08578	3.3
109.10216	1.2
119.08616	2.8
121.10161	1.9
133.08603	3.3
133.10172	1.9
135.08055	2.1
145.10153	2.4
159.11641	1.3
161.10846	1.1
167.10689	1.4
221.15437	2.2
300.14911	1.0
334.15680	1.3
365.17847	1.9
379.19434	3.7
381.21182	1.7
393.17084	1.9
395.18164	1.7
406.18362	1.4
407.18604	2.5
408.19476	3.0
409.20279	5.7
420.20303	1.3
421.20349	4.9
422.21271	1.3
423.21896	11.2
424.22525	2.8
435.22070	3.8
436.22412	4.4
437.23489	3.5
446.21112	1.4
450.24011	1.8
451.20691	3.9
451.25284	4.9
454.20236	3.2
460.22870	1.1
461.23416	6.3
464.22525	1.4
465.18958	1.6
467.20563	8.5
477.22958	2.4
478.23560	1.8
479.25143	8.6
481.22540	4.5
482.23337	4.7
494.23065	9.3
495.24225	6.5
496.24469	9.1
497.25586	5.0
505.22571	2.6
510.20248	8.8
511.27258	2.8
522.22687	1.3
523.23395	17.3
524.22681	4.6
527.23450	3.5
528.27197	2.3
537.22986	1.2
539.24219	96.7
540.24194	4.8
542.25201	1.3
555.26050	18.6
583.25482	56.1
584.25909	2.8
587.28650	2.5
615.28168	100.0
616.28827	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	613.4827
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03944	2.9
55.05272	1.3
55.05514	17.4
56.26209	1.0
57.03434	6.3
57.07069	3.1
62.68194	0.8
63.27952	0.8
65.03925	2.4
67.05508	55.7
69.07070	20.5
69.80418	4.6
69.90824	1.0
71.04991	1.8
71.08639	1.6
79.05022	1.1
79.05498	32.6
81.07059	66.1
83.04981	2.5
83.08620	11.7
85.06541	2.4
91.04907	1.3
91.05481	26.6
93.07047	42.7
95.04978	2.5
95.08613	48.5
97.06528	3.5
97.10183	5.9
98.21555	1.1
99.08098	1.5
105.04516	1.1
105.07034	27.2
107.08597	24.6
109.06548	1.6
109.10162	26.4
111.08030	1.4
111.11714	1.9
111.87005	0.9
117.07035	10.1
119.08589	27.7
121.10147	23.0
123.08081	1.0
123.11728	10.5
125.09602	1.7
128.06221	1.2
129.05513	1.3
129.07002	5.9
131.08577	20.7
133.10141	22.2
135.11703	17.7
137.13242	4.3
141.07062	1.4
143.08527	5.4
145.10124	20.4
145.11166	1.6
147.11688	15.7
148.41400	1.0
149.13266	9.5
151.14833	1.4
153.10016	1.0
153.12827	1.2
155.08543	2.0
157.10138	8.1
159.11691	16.9
161.13257	11.2
163.13567	0.9
163.14818	5.2
167.08655	1.2
169.10153	4.4
171.11710	6.6
173.13260	15.6
175.14816	6.2
177.16435	2.2
183.11729	3.3
185.13266	6.4
187.14819	7.1
189.16423	2.7
195.11685	1.1
197.13327	2.4
199.14838	4.3
201.16434	4.4
203.17978	2.5
209.13338	1.1
213.16513	2.3
215.18015	2.4
217.19604	1.7
225.16429	1.1
227.18138	1.4
229.19518	1.5
231.17412	1.1
233.19044	2.0
241.19598	3.6
243.21179	3.0
245.01480	1.0
245.22633	1.2
247.20551	1.5
259.20590	9.0
261.22073	11.2
263.23636	1.8
271.20639	1.1
273.22113	2.1
279.84796	1.4
281.21222	1.0
285.22092	1.5
287.23724	1.6
299.23694	1.8
301.25223	1.5
305.21100	1.1
313.25143	1.1
317.24893	1.9
333.24213	6.3
335.25830	17.8
335.29449	1.6
337.27481	9.3
355.29993	1.8
369.27740	1.3
475.34198	1.6
489.35809	3.7
521.43622	6.3
539.44983	4.7
543.40283	1.6
557.42798	1.2
595.47284	11.5
613.48291	100.0
614.48322	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4827
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03935	2.7
55.01857	1.3
55.05514	17.9
56.62680	1.0
57.03427	5.0
57.07072	4.3
65.03931	1.8
67.05507	48.4
69.07070	16.8
69.67199	6.8
71.04968	1.7
79.05496	26.7
81.07063	51.7
82.84213	1.1
83.04981	1.5
83.08631	9.4
91.05486	25.0
91.06070	0.8
93.07047	36.3
95.04958	2.2
95.08613	44.4
97.06539	2.8
97.10177	3.6
98.20826	1.4
105.07036	25.0
107.08600	20.9
109.06519	1.2
109.10162	21.7
111.08096	2.0
111.11742	1.9
116.82841	1.2
117.07015	10.9
119.08593	22.5
121.10152	19.1
123.11702	9.5
123.24061	1.3
125.09576	1.3
125.71487	1.1
129.07016	3.6
131.08591	18.3
133.10147	16.1
135.11714	12.4
135.77795	1.0
137.13289	3.7
143.08571	5.7
145.10130	18.3
147.11696	17.4
148.18173	1.1
149.13292	6.1
151.14815	1.9
155.08650	1.3
157.10126	6.3
159.11682	10.8
161.13249	9.4
163.14850	3.4
165.16389	1.8
169.10094	2.5
171.11653	6.2
173.13287	9.9
175.14856	5.6
177.16331	1.5
179.14371	1.6
181.10323	1.1
183.11766	2.0
185.13228	5.4
187.14812	5.6
189.16383	2.6
191.17986	1.8
197.13419	2.0
199.14923	3.1
201.16458	4.3
203.17873	1.7
211.14818	1.4
213.16492	2.4
215.18011	2.4
217.19498	2.1
229.19464	1.7
231.21002	1.9
233.22644	1.2
241.19582	2.2
243.21094	1.9
259.20551	9.5
261.22104	9.6
263.23560	1.2
273.22153	1.6
285.22186	1.6
299.23831	1.6
303.23373	1.1
305.21198	1.3
313.25308	1.6
323.25943	1.8
333.24268	5.0
335.25864	17.0
336.26138	1.4
337.27429	9.0
355.30124	1.8
383.33105	1.6
477.35641	1.6
489.36234	1.7
503.37250	1.8
517.38800	1.7
521.43469	5.6
529.38861	2.1
539.44836	3.1
577.45715	1.7
584.42078	1.4
595.47083	11.9
613.48273	100.0
614.48535	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	614.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
54.46345	2.1
55.01864	4.7
55.05516	14.7
57.03451	2.8
57.07080	14.4
59.05001	3.8
65.03943	4.9
67.05238	2.2
67.05512	26.7
69.03422	8.3
69.07078	16.2
69.82226	5.8
69.82616	6.2
69.92873	2.0
71.05000	2.9
79.05492	33.5
81.03416	13.8
81.07064	39.3
83.04986	21.1
83.08624	8.0
85.06539	5.2
86.38435	2.1
89.06039	20.7
91.04910	2.4
91.05489	49.4
93.07049	42.0
95.04977	60.6
95.08623	21.5
97.06525	11.0
97.10141	2.3
98.85144	2.4
103.05457	3.3
105.07034	58.2
107.04951	7.0
107.08600	40.8
108.05745	2.5
109.06531	16.7
109.10158	21.5
111.04435	3.3
111.08084	3.6
115.05467	8.1
117.07019	20.2
119.04940	6.3
119.07804	4.4
119.08585	52.7
120.09379	2.3
121.06519	12.4
121.10140	25.4
122.07281	4.2
123.04457	3.2
123.08084	19.3
123.11719	5.2
125.05987	20.8
125.09656	4.7
126.19307	2.1
128.06203	18.3
129.07028	22.9
130.07776	7.2
131.08577	29.6
132.09320	3.6
133.06516	6.9
133.07761	2.5
133.08592	12.6
133.10129	28.9
135.08054	27.4
135.11691	8.0
137.05971	12.9
137.09604	7.2
138.10423	5.7
139.11201	3.6
141.07002	7.8
142.07790	15.4
143.08568	61.8
144.09344	8.8
145.06509	9.3
145.10124	50.5
145.35292	2.4
146.07178	2.1
147.08020	14.1
147.11682	7.5
149.09618	9.7
149.13245	3.6
150.06779	2.5
151.07545	7.0
151.11215	4.1
153.06998	5.0
154.07808	5.6
155.08597	16.7
156.09331	14.2
157.10129	42.6
158.10899	13.3
159.08032	15.4
159.11703	16.2
160.08817	3.3
161.06007	4.1
161.09584	19.6
163.07513	6.2
163.11195	19.9
165.06985	9.6
165.09122	6.1
166.07684	3.3
167.08551	8.3
167.10623	2.8
168.09363	5.7
169.10130	25.6
170.10953	4.7
171.08061	8.4
171.11693	19.8
172.08965	5.5
173.05884	2.7
173.09637	13.3
173.13301	8.1
175.11189	9.5
175.14853	3.4
177.11240	5.5
178.07837	4.9
179.08536	14.2
180.09326	4.4
181.10147	16.3
181.12201	14.0
182.10924	7.9
183.08066	3.2
183.11678	18.6
184.08873	3.0
185.09610	12.0
185.13278	9.1
186.10426	3.5
187.07608	2.9
187.11185	13.4
187.14879	3.1
188.11984	3.0
189.09117	5.4
189.12738	5.2
191.08607	3.5
191.10551	2.5
191.14343	8.3
192.09377	7.4
193.10130	14.4
193.12265	6.7
194.10913	7.7
195.08081	3.7
195.11703	18.6
196.08871	3.9
196.12500	4.8
197.09642	9.7
197.13231	15.5
198.10303	4.4
198.14003	3.1
199.11256	15.4
199.14845	7.0
201.09077	9.5
201.12737	5.2
203.14355	3.5
205.10251	5.8
206.10901	6.6
207.11755	17.5
207.13611	4.4
208.08911	3.4
208.12500	3.2
208.14427	3.0
209.09676	2.9
209.13304	16.2
210.10318	4.3
210.13985	3.6
211.11064	11.9
211.14830	4.8
212.11975	3.2
213.09193	4.9
213.12711	7.7
213.16406	2.5
215.10675	7.5
216.11461	9.0
217.10146	4.9
219.11702	5.2
220.12495	4.9
221.13289	16.1
221.15305	3.8
223.11180	9.3
223.14856	6.7
225.12625	11.3
225.16264	3.4
227.14333	7.9
229.12152	4.1
230.10869	4.8
231.11732	6.0
233.13246	8.9
233.15294	2.9
235.11278	4.5
235.14876	7.5
237.12646	5.4
237.16463	3.6
241.15851	2.6
244.12492	2.5
245.13260	7.2
245.15508	3.1
247.14864	8.4
249.12766	5.9
249.16495	3.7
250.13670	3.5
251.14317	6.5
253.12163	3.1
253.15952	4.9
255.17400	4.0
259.14786	3.1
261.16412	4.2
263.14233	3.3
265.15955	7.2
267.15955	9.8
269.19070	2.6
271.16992	6.5
273.18564	24.5
277.15857	3.2
279.17508	5.2
286.19232	9.1
299.20282	3.1
305.17502	18.5
319.20590	2.8
331.19131	23.7
334.22961	2.7
337.21729	12.2
337.27304	8.6
346.08197	2.4
352.23993	74.1
357.20624	3.4
363.23120	4.9
367.22763	3.8
369.20691	3.9
376.23715	3.4
383.22195	4.7
384.22964	51.6
393.24243	5.3
397.23776	10.1
405.24078	2.6
415.25735	3.7
434.28030	3.4
444.30176	8.6
459.28970	3.4
476.29318	33.9
482.22522	3.1
495.26410	3.7
512.27277	3.9
522.26172	3.2
522.33514	7.5
529.39050	15.5
534.33282	5.1
547.39557	3.0
554.27655	8.5
582.28082	16.6
599.28180	4.0
614.30255	42.5
614.39514	100.0
614.48187	5.1
615.39343	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	613.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.9
57.07078	1.5
62.39320	0.9
66.83920	0.7
67.05490	4.3
69.07067	1.8
71.51255	1.0
71.51661	1.1
79.05482	2.5
81.07053	4.7
85.06541	1.5
91.05466	2.2
93.07048	3.6
95.08618	2.9
105.07021	2.1
107.04961	1.0
109.10176	2.7
117.07056	1.1
119.08578	2.9
121.10161	1.8
129.06998	1.0
131.08540	1.1
143.08557	1.2
145.10098	1.5
155.08612	1.0
159.09164	1.6
159.11754	0.9
160.43713	1.0
167.22884	1.1
174.38708	0.9
196.10068	0.8
209.10800	1.5
219.09288	0.9
221.10828	1.0
222.11618	1.1
223.12343	1.7
225.14009	1.0
233.10739	1.4
235.12334	1.6
236.13150	1.0
237.13855	2.8
238.14673	1.6
239.15587	1.2
247.12314	1.5
249.13947	1.0
251.15526	1.2
259.12482	0.9
261.13974	3.0
263.15906	1.0
277.13565	0.9
301.14236	1.1
312.15079	1.3
339.16324	1.5
351.16486	1.4
352.17825	1.1
353.18002	1.7
355.19815	1.2
364.17288	1.3
365.17816	1.6
366.19385	1.6
367.19397	1.4
370.23047	0.9
377.17816	1.5
379.19519	2.5
381.21094	2.5
382.17740	1.1
383.22653	1.1
389.17548	1.0
391.19641	1.1
392.15887	1.1
392.20538	1.0
393.21146	2.2
395.18686	1.5
397.20322	1.1
405.17239	1.2
406.17764	1.4
407.18527	3.0
407.23038	1.2
408.19916	2.3
409.20319	2.9
411.22324	1.8
412.19263	0.9
419.18466	1.8
420.19650	1.3
421.20175	6.0
422.21182	1.6
423.21906	2.7
424.19003	1.9
425.19751	3.7
433.20432	1.1
434.21378	1.4
435.21985	3.4
436.22531	3.2
437.24133	5.2
438.20676	1.9
439.21307	9.6
447.22318	1.4
449.24078	4.7
450.24136	2.8
451.21368	1.1
452.22400	1.5
453.22797	2.4
455.24933	1.1
459.22076	1.2
462.20715	1.3
463.21326	3.2
464.22208	1.5
465.22919	3.3
467.24869	1.0
469.21939	1.3
473.23291	1.1
475.20963	5.5
476.21844	1.4
477.22720	1.9
491.24493	2.7
493.22266	1.3
494.23199	1.8
497.25174	3.1
507.23743	1.1
508.24954	1.4
509.25595	3.1
511.23685	2.3
512.24200	3.6
513.28522	1.0
521.25153	1.1
523.27148	22.1
524.27197	1.9
525.24817	1.5
526.25739	5.8
527.26538	3.4
529.27924	0.9
533.25714	1.3
537.24377	1.1
541.28131	62.8
542.28265	3.1
551.26593	13.5
552.25195	3.0
553.25232	1.4
567.26227	7.3
569.27594	20.0
570.24976	3.4
571.25537	26.6
577.24500	2.5
585.27179	3.4
595.25262	11.7
612.46100	1.8
613.26569	100.0
614.26752	4.2
633.80298	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27368	0.5
55.36361	0.5
56.92828	0.5
58.70127	0.4
67.05446	0.9
68.61494	0.4
71.11646	0.6
79.05439	0.6
81.06992	0.9
91.05421	0.7
119.08514	0.5
122.09628	0.6
131.08449	0.5
132.08047	0.6
135.11440	0.5
144.08017	1.1
172.11266	0.6
173.10606	0.5
176.14282	0.7
185.84561	0.5
189.10188	1.1
202.16008	3.6
203.16235	2.3
209.10689	1.3
211.12238	0.6
213.10255	0.7
216.89787	0.4
218.08026	0.7
219.09088	0.7
220.09898	0.6
220.17044	2.2
221.10686	1.4
221.17212	1.1
222.11433	0.8
222.81067	0.5
223.12192	1.1
225.13889	0.8
235.12202	1.3
237.13829	2.0
238.14529	0.7
247.12242	1.1
249.13914	0.7
251.15501	0.7
261.13849	1.2
263.15482	0.8
272.08133	0.5
273.13861	0.6
274.13333	0.9
276.15021	0.9
277.12045	0.6
278.12729	0.5
288.15070	0.6
290.12967	0.8
300.13803	1.8
301.13837	0.9
304.14432	0.7
314.16354	0.5
316.14575	0.5
318.15918	0.8
326.16318	0.8
338.16223	0.9
339.16254	1.9
340.17950	0.7
350.16727	0.7
351.16357	1.1
352.17889	1.0
353.17776	3.9
354.19141	2.2
355.19226	0.6
363.16113	0.8
364.17697	1.0
365.17874	1.4
366.18967	2.1
367.19641	3.3
368.16559	0.7
368.20746	1.3
369.21170	0.9
377.17853	1.0
378.18716	0.9
379.19614	2.8
380.20654	1.0
381.16373	2.4
381.21423	3.2
382.17825	1.2
383.22247	2.2
392.16235	0.8
393.16592	1.0
393.20819	1.5
394.18173	1.5
395.18567	2.2
395.22507	2.1
396.19421	1.9
397.20316	2.9
398.18268	0.5
405.17065	1.4
407.18735	1.9
409.15628	0.9
409.17126	0.7
409.20462	4.3
410.21600	2.4
411.22156	5.9
412.22852	2.9
421.20157	2.4
422.21317	3.0
423.22354	4.6
424.18176	0.9
424.22705	1.9
425.19608	7.4
426.21176	0.9
427.21472	0.6
435.21835	0.8
436.22626	1.0
437.24210	3.4
438.20560	2.7
439.20676	6.6
440.22064	5.6
441.19415	1.3
452.22293	0.8
453.23026	3.8
454.23474	1.6
455.20407	1.8
455.25235	1.6
456.21286	2.8
461.23471	0.7
466.20065	0.7
467.19952	0.6
467.24973	0.9
469.22833	4.6
479.20630	0.6
481.22668	2.6
483.24915	11.0
484.24759	6.0
494.23468	0.8
495.23935	2.3
496.24557	1.9
497.21396	7.7
498.22897	1.3
509.24915	0.7
510.24371	0.7
511.23526	2.4
512.24341	3.1
526.25024	0.6
527.26599	12.5
533.92694	0.5
537.25018	1.6
542.21606	0.9
543.26147	0.9
553.24463	1.1
555.22900	0.5
569.27612	18.1
570.24768	9.7
571.25555	100.0
572.26031	2.7
585.27063	1.7
613.26611	72.0
614.26685	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	613.2661
Annotation	Karajinone B
Peak:m/z	Relative Intensity
50.23685	0.7
55.01874	1.4
67.05492	2.8
69.03414	0.8
69.07056	0.8
69.30540	2.2
69.30962	4.7
76.74422	0.8
79.05481	1.9
81.07077	1.1
91.05457	2.1
93.07053	1.7
94.06574	1.0
95.08599	2.2
105.07066	2.3
106.06548	0.8
107.08609	1.6
109.10181	1.8
118.97349	0.9
119.08613	2.3
120.04466	0.8
121.10165	1.1
129.07022	1.1
130.06532	0.8
131.07367	1.1
131.08627	2.0
133.10175	1.6
136.07590	3.3
138.09193	1.1
144.08092	1.1
145.10153	1.7
146.09645	1.5
147.11707	0.9
149.09621	0.8
155.08493	1.2
157.10155	1.2
174.09166	7.9
181.05009	0.9
184.09953	1.4
187.08725	1.5
187.12297	4.4
188.10774	3.5
197.10783	1.2
211.08725	2.7
212.09439	1.9
213.10284	1.3
215.11885	3.1
224.09418	1.0
225.10225	2.7
227.00374	0.9
227.11749	4.0
235.08777	2.6
237.10268	2.1
239.11826	3.1
241.09813	1.0
241.13472	5.4
243.11337	24.1
249.10283	2.5
251.11826	3.6
253.09740	2.2
261.10312	1.2
265.09772	1.3
267.11304	6.5
269.09491	1.1
269.12860	5.3
271.10944	1.7
277.09848	2.1
279.11484	1.3
285.12488	1.6
287.13864	5.1
290.09442	1.0
293.12924	1.1
295.10843	5.3
297.12549	1.3
299.14270	1.3
300.11542	1.2
301.12619	0.9
304.10947	1.3
305.12039	0.9
309.12421	2.0
311.13919	4.8
312.11996	1.1
314.12924	2.4
315.13647	1.2
316.11032	1.4
316.14529	1.8
326.13092	1.5
327.13446	7.4
328.10898	2.0
328.14606	2.8
329.11685	1.5
329.15405	1.3
330.12537	3.5
330.15994	1.8
342.12436	2.5
342.16083	2.0
343.13181	3.4
344.14014	3.8
344.17725	1.1
345.14728	1.3
346.15561	1.7
348.13315	2.5
352.16553	1.4
354.12393	0.9
354.16370	1.4
355.13394	1.2
356.13812	3.8
357.14722	1.8
358.15607	3.8
360.17023	1.6
370.15710	2.3
371.16522	1.8
372.17154	5.9
373.18066	2.2
374.18866	2.7
376.16800	1.6
384.17374	1.9
386.15009	2.6
386.19052	1.3
388.20160	1.2
398.15070	1.9
400.16422	2.2
404.16696	1.2
408.16238	1.1
412.16907	1.2
414.17917	1.2
416.16238	1.8
417.16870	1.3
418.17868	4.3
420.17209	1.5
430.17841	1.1
431.18796	2.0
432.19669	2.0
435.14484	1.1
437.20123	1.4
446.17328	2.8
447.17798	2.5
458.17578	1.5
461.23901	1.9
462.24268	1.8
463.21313	1.5
464.23486	0.9
465.19455	7.3
467.24036	1.2
475.21234	1.1
476.19989	1.5
477.19260	2.8
478.19833	3.8
479.20511	4.9
480.21631	3.3
481.22598	2.3
489.22937	2.6
490.19745	6.9
491.20569	1.3
492.21628	2.9
493.22803	5.5
494.23706	1.4
507.24026	5.0
508.21500	2.0
517.22369	1.5
520.21906	1.8
521.21765	1.1
535.23425	15.5
537.23383	1.0
539.22852	1.8
541.24182	1.5
553.24530	79.5
554.24799	2.4
563.22809	3.9
564.94421	1.0
581.23981	52.3
582.24408	1.1
595.25537	3.3
595.36029	1.5
613.26617	100.0
614.26837	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.5
55.05508	32.2
57.03436	16.3
57.07066	8.3
65.03062	3.2
65.03932	5.5
67.05511	87.3
67.19820	3.7
69.03424	5.7
69.07068	29.4
70.07415	5.8
71.08633	7.2
73.04745	4.7
79.05067	5.8
79.05499	74.0
80.05816	10.6
81.03425	71.3
81.07059	100.0
82.07406	9.9
83.04977	6.3
83.08614	24.2
85.06574	6.3
91.05473	61.9
92.05814	3.9
93.07053	74.9
94.07388	6.3
95.04992	16.2
95.08614	70.2
96.08939	8.2
97.06536	9.5
97.10159	8.9
99.87646	3.1
105.07034	59.9
106.07389	8.6
107.04944	7.1
107.08602	38.6
108.08942	8.2
109.06518	6.5
109.10184	25.5
110.10494	5.2
111.08079	8.8
117.06991	19.0
118.07388	4.5
119.08595	39.8
120.08865	6.1
121.06566	4.5
121.10156	28.6
123.11675	8.0
129.07002	14.3
131.08601	31.2
132.08861	6.4
133.06514	4.1
133.10135	30.3
134.10475	5.3
135.11670	17.5
136.12027	5.3
137.09656	4.1
142.07803	5.1
143.08553	14.4
144.08910	5.3
145.10146	24.1
146.10481	4.3
147.11667	26.0
148.12022	6.2
149.09598	7.1
149.13277	13.7
155.08525	5.9
157.10156	21.5
158.10521	5.9
159.11734	24.0
160.11966	4.7
161.13338	9.0
162.13596	6.3
163.14815	6.7
171.11659	10.5
172.12070	5.4
173.13263	9.2
175.11227	6.8
175.14848	5.7
175.96886	3.3
179.14340	3.6
183.11600	7.4
185.13318	10.0
186.13593	4.0
193.12251	13.7
199.14821	4.7
202.15794	9.1
211.14880	4.2
220.16925	5.2
240.18227	5.0
259.20523	9.9
260.20807	6.5
261.22119	16.4
262.22366	4.4
267.15884	51.4
276.20551	4.9
300.13626	4.7
301.25394	4.1
317.24661	3.7
333.24356	6.7
334.24603	7.1
335.25824	45.4
336.26096	9.9
476.51361	4.1
520.42395	5.1
527.04596	3.2
527.30084	6.4
527.37354	68.4
538.43286	6.2
545.38318	10.9
581.23816	8.1
594.45776	7.6
612.27686	15.9
612.47064	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.3
53.03954	5.3
55.01873	1.7
55.05269	1.8
55.05515	22.3
57.03440	7.9
57.07059	2.9
61.52633	1.2
65.03947	4.1
67.05509	54.4
67.99711	0.9
69.06729	1.6
69.07073	20.3
69.97423	4.8
71.04986	2.2
79.05499	38.8
81.03432	2.0
81.07066	54.4
83.04991	2.3
83.08627	11.7
85.06527	2.3
91.05489	39.8
92.66755	0.9
93.07051	44.3
95.04969	4.3
95.08615	41.6
95.09239	1.1
97.06548	3.0
97.10159	4.6
99.08102	1.9
103.05465	1.1
105.04533	1.3
105.07040	41.3
107.04977	1.3
107.08609	28.9
109.06572	1.3
109.10160	15.5
111.08060	1.8
115.05454	2.8
117.07028	17.8
119.08591	35.0
121.10153	19.5
123.08046	1.6
123.11735	5.3
125.09651	1.3
128.06247	3.4
129.07008	12.3
131.08583	27.9
133.10141	23.8
135.11699	14.2
137.09619	1.8
137.13281	1.8
141.07008	3.7
142.07796	1.7
143.08583	16.0
145.10129	24.9
147.11697	20.2
149.09627	1.4
149.13275	6.8
155.07439	1.1
155.08569	7.3
156.09323	1.5
157.10153	17.5
158.10922	1.2
159.11703	19.0
161.13287	13.2
163.11040	1.1
163.14885	2.5
167.08597	2.6
169.10133	9.7
171.11673	13.1
173.13290	12.6
175.14847	6.3
177.12752	1.0
177.16391	1.3
181.10114	2.8
183.11705	9.5
185.13290	12.0
187.14836	7.5
187.59296	0.9
189.12766	1.4
189.16408	3.0
195.11798	3.6
197.13275	8.7
199.14844	7.8
201.16454	4.0
209.13261	3.0
211.14874	4.8
213.16425	5.1
215.18027	3.2
221.13263	1.2
223.14822	2.0
225.16493	1.9
227.18016	2.4
229.19585	1.9
231.21072	2.9
235.14954	1.1
237.16475	2.0
239.18019	2.8
241.15848	1.2
241.19653	9.7
243.21161	2.0
247.20599	1.3
257.19135	4.5
259.20593	17.6
261.22247	3.5
263.17938	1.4
270.47931	1.1
271.20691	1.7
277.21677	1.1
279.20996	1.2
285.22125	2.4
311.23523	1.1
315.23233	1.7
325.25525	1.5
333.24307	10.7
335.25861	18.4
519.42188	6.9
519.89148	1.3
527.37457	3.0
537.43152	3.3
541.38605	2.4
559.14642	1.1
593.45679	9.9
611.27234	4.4
611.46716	100.0
612.46863	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	611.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
52.46060	0.8
53.03950	2.5
55.01873	2.1
55.05269	1.3
55.05517	18.9
57.03452	4.9
57.07082	2.9
65.03941	2.8
66.22678	0.7
67.05511	43.8
69.07073	14.9
69.50652	2.5
69.51062	3.0
71.04980	1.9
71.08647	1.7
79.05500	34.0
81.03394	1.0
81.07066	43.9
83.04974	1.3
83.08623	8.0
85.06541	2.6
91.05485	27.8
93.07049	31.1
95.04975	2.4
95.08614	37.3
97.06551	3.8
97.10190	3.8
99.08076	1.3
105.04533	1.1
105.07038	31.8
107.07878	1.4
107.08602	21.0
107.09308	1.4
109.06550	1.9
109.10165	15.7
111.08096	1.5
115.05462	2.1
117.07021	12.8
119.08596	23.2
121.06595	1.0
121.10155	14.5
123.08051	1.4
123.11695	4.9
128.06244	2.8
128.92493	0.8
129.07022	10.5
130.07816	1.4
131.08580	21.6
131.09537	1.4
133.10146	20.5
133.11102	1.7
135.08104	0.8
135.11711	10.3
137.06013	1.3
137.09642	1.3
137.13289	1.6
141.07043	2.6
142.07741	1.8
143.08578	10.9
144.09323	1.9
145.10133	22.3
147.11711	17.3
147.12810	1.3
149.09679	2.1
149.13263	6.7
151.07539	1.5
151.11229	1.3
151.14757	0.9
155.08589	7.2
156.09360	1.1
157.10149	11.5
157.11339	1.2
159.11688	16.8
161.09601	0.8
161.13277	9.6
163.11258	0.9
163.14851	2.6
165.12735	1.2
167.08655	1.9
169.10149	6.9
171.11703	11.0
173.13248	11.5
175.14844	4.4
179.14290	0.8
181.10188	2.8
183.11687	6.2
185.13260	9.5
187.14818	6.5
189.16460	2.6
195.11797	2.1
197.13232	5.9
197.57443	0.9
199.13196	1.1
199.14824	6.3
200.45702	0.7
201.12845	0.8
201.16446	2.7
209.13335	2.3
211.14781	4.7
213.16467	4.8
215.17957	2.5
217.19548	1.2
219.17537	0.9
221.13414	1.0
223.14943	0.9
225.16428	2.3
227.18042	2.0
229.19673	2.2
231.17491	1.5
231.21179	1.0
235.14900	0.9
237.16521	1.0
239.18053	2.8
241.19748	4.6
243.21164	1.2
247.20697	1.1
253.19643	1.5
255.20972	0.9
257.19119	2.7
259.20609	9.2
261.22253	2.6
271.20602	1.0
275.20297	4.3
277.21716	1.3
313.25143	1.0
315.23242	0.8
333.24219	4.4
335.25803	7.9
337.27603	1.1
353.28464	1.4
381.31784	1.3
427.32364	1.0
449.04630	0.9
449.34207	1.5
519.42047	5.6
537.43152	2.9
541.39093	1.5
555.41235	0.9
593.45618	8.0
611.46753	100.0
612.46997	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01866	2.1
55.05272	0.9
55.05516	14.3
57.03425	2.1
57.07080	3.5
59.05000	0.6
65.03933	2.3
67.05507	29.3
68.99392	0.7
69.07069	14.5
70.91440	1.1
71.04986	1.5
71.08636	2.0
73.04760	0.8
77.03905	0.8
79.05496	19.9
81.03423	0.7
81.06586	1.3
81.07060	25.9
83.04975	1.6
83.08626	6.8
85.06535	1.4
85.10160	0.8
91.05475	18.1
93.07046	21.7
95.04977	2.0
95.08610	24.0
97.06533	3.0
97.10162	3.7
99.08097	1.8
103.05495	0.7
105.04549	0.6
105.07034	20.7
107.08599	13.5
109.06527	1.2
109.10168	10.8
111.08086	2.4
115.05470	1.1
116.06222	0.5
117.07031	12.1
119.08584	17.9
121.10148	9.8
123.08067	1.4
123.11714	2.5
125.09632	1.8
128.06239	1.7
129.07005	9.8
130.07831	0.7
131.08577	18.6
133.10149	11.5
135.08026	0.6
135.11702	5.6
137.13263	0.8
141.07004	3.7
141.42369	0.7
142.07791	1.9
143.08562	13.2
144.09348	0.7
145.10110	16.7
145.11148	1.1
147.04442	1.1
147.08081	1.2
147.11707	8.4
149.09610	0.7
149.13258	2.8
151.11217	0.9
151.14790	1.0
153.07059	0.8
154.07742	0.8
155.08566	7.3
156.09380	1.4
157.10139	12.4
159.11691	12.1
161.13298	4.6
163.11284	0.9
163.14828	1.8
165.16428	1.0
167.08595	1.9
168.09372	1.2
169.10117	8.5
170.10959	0.7
171.11707	10.8
173.13260	6.2
175.14819	3.1
177.16483	0.9
179.08574	1.3
179.14355	0.7
181.10152	4.5
182.10825	0.7
183.11711	7.9
185.13239	8.6
187.14833	5.5
189.16417	2.6
191.17888	1.0
195.11670	4.0
197.13274	6.3
199.13179	0.9
199.14862	6.5
201.16425	2.9
203.18031	1.4
205.19554	0.8
207.11716	1.3
209.13289	3.4
211.14813	4.1
213.12564	0.6
213.16446	4.9
215.17978	2.2
217.19456	0.8
221.13344	1.7
223.14775	2.7
225.16412	3.8
227.18054	2.5
229.19586	2.7
235.14888	1.3
237.16441	2.2
239.18124	1.9
241.19878	2.8
243.21140	1.6
249.16356	1.0
251.18130	1.4
253.19676	1.2
255.21207	1.4
257.19064	1.2
257.22760	1.3
259.20621	1.6
265.19604	1.2
267.21082	1.0
269.22888	1.0
275.20255	1.3
277.21689	1.4
279.21155	0.6
281.22598	0.8
283.20630	1.3
285.21719	0.6
295.24191	0.8
297.22076	1.1
299.23947	0.6
309.22162	0.7
311.23587	1.0
315.23438	0.8
323.23737	0.7
325.25323	0.9
335.25998	1.0
341.28860	0.8
347.23645	0.7
351.27051	0.7
353.28400	1.5
365.28461	1.0
367.25980	0.9
367.30197	1.2
381.27536	0.9
397.31085	0.8
411.18774	0.6
449.34131	1.0
487.34869	0.8
501.41217	1.3
519.41937	7.9
523.38031	0.8
537.43311	4.6
541.39038	1.4
593.45703	8.8
611.46716	100.0
612.47260	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71389	13.4
55.05490	13.4
55.86172	13.1
63.74506	11.2
67.05495	40.8
69.03430	24.4
69.07070	49.0
70.69475	41.8
72.54282	12.1
79.05482	26.7
81.06681	10.6
81.07070	100.0
83.08607	16.6
83.45895	11.7
85.02864	12.7
85.06531	18.6
93.07025	32.0
95.08624	73.2
97.02839	12.8
97.06539	84.5
99.08133	12.9
105.07079	14.9
107.08595	45.9
109.02878	15.6
109.10145	51.9
111.08070	29.2
111.42867	12.8
119.08586	20.5
121.10149	22.6
123.11742	35.2
125.09625	17.9
135.11734	27.4
137.05972	54.4
137.13306	29.0
147.11606	16.1
149.13223	20.5
150.43161	16.0
153.12788	13.8
161.13321	21.8
163.14888	17.1
173.02213	15.5
215.06984	19.0
235.20647	28.4
249.05429	14.0
253.21625	20.3
258.10397	13.9
259.09555	17.7
273.25830	19.3
279.26547	14.2
291.26752	50.3
309.27896	33.0
323.05295	14.0
333.04962	17.4
419.11304	75.2
437.13052	13.6
541.34045	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.01878	2.0
55.05514	20.3
57.03431	3.4
57.07082	5.9
65.03928	3.2
67.05508	53.2
69.07072	20.2
70.13737	5.6
71.04990	2.2
71.08613	1.6
79.05494	34.7
81.07064	44.4
83.04982	1.4
83.08624	7.6
85.06541	1.9
91.05486	35.1
91.06375	1.3
93.07052	37.3
95.04983	3.6
95.08612	36.2
95.09125	0.9
97.06531	2.0
97.10104	2.5
100.73283	1.2
103.05440	1.8
105.04509	1.7
105.07036	32.7
105.07697	2.5
107.08599	24.2
109.06519	1.4
109.10159	15.3
109.42239	1.2
115.05457	1.3
117.07008	16.7
119.08586	31.7
119.09304	1.2
121.10152	15.7
121.72614	1.3
123.08069	1.1
123.11713	4.1
128.06203	3.0
129.07007	13.2
130.07816	1.7
131.08571	26.6
133.10135	20.3
133.11096	2.0
135.08067	1.8
135.11676	10.0
137.13268	1.3
141.06985	3.3
142.07796	3.4
143.08577	16.0
144.09372	1.8
145.10120	23.3
147.11697	16.4
149.09634	1.5
149.13263	6.3
155.08559	4.5
156.09261	1.5
157.10149	12.9
159.11713	23.0
160.35580	1.3
161.09595	1.5
161.13272	11.9
163.14851	3.3
169.10202	6.0
170.10666	1.3
171.11693	15.7
173.13257	13.5
175.14844	7.6
181.10133	3.4
183.11693	7.3
185.13304	11.6
187.14862	7.4
189.16396	1.5
193.10184	2.2
197.13307	4.8
199.14804	6.2
201.16441	3.1
209.13274	2.6
211.14815	5.4
213.16449	4.3
215.17929	2.6
221.13306	1.4
223.14751	2.4
227.18013	2.9
229.19615	1.8
231.21213	2.1
239.17976	1.7
241.19569	8.8
241.79315	1.4
243.21152	2.0
253.19676	1.6
255.21301	1.5
257.19226	2.7
259.20557	15.0
261.22128	3.5
297.22012	1.5
299.23471	1.4
311.23581	1.3
313.25040	2.1
315.23251	1.7
333.24310	10.4
335.25873	14.2
353.28546	1.9
519.41980	7.5
529.38739	1.9
537.42877	4.8
541.39148	1.9
579.32068	1.5
581.33313	1.4
593.45496	8.5
611.46655	100.0
612.47064	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	611.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33353	0.7
55.05527	3.3
57.07065	1.2
65.03942	0.9
67.05515	9.9
69.07064	2.9
71.08635	1.7
73.04760	11.4
74.04707	1.2
75.04482	4.3
79.05501	7.2
81.07069	9.8
83.04982	1.3
83.08617	1.8
91.05872	13.2
92.05750	1.4
92.36279	0.6
93.07045	8.1
93.22044	0.6
95.04966	1.4
95.08624	7.3
97.06500	0.7
97.10124	1.1
98.20799	1.4
98.96394	0.7
99.08084	0.8
105.07033	6.6
107.04961	1.0
107.08610	5.9
109.10165	2.9
111.08085	0.7
114.07400	1.3
117.07037	2.4
119.08575	4.1
121.10155	3.6
123.08078	0.6
123.11740	0.9
125.09634	0.7
129.07027	1.6
131.08569	3.2
133.10156	3.6
135.09476	0.6
135.11708	1.9
143.08575	1.4
145.10159	2.5
147.11725	2.7
149.04498	1.2
149.13301	1.7
151.11215	1.0
157.10162	0.9
159.11714	2.0
161.13300	1.8
161.49048	0.6
167.05516	4.2
168.05537	1.0
171.11722	1.6
173.13307	1.7
175.14899	0.8
179.14339	1.5
185.13321	1.2
192.38274	0.6
196.69113	0.7
199.14859	0.7
211.14816	0.7
213.16391	1.1
239.09544	4.3
240.09647	2.4
241.19489	0.7
259.20596	1.5
261.22037	0.8
267.00000	0.7
268.97879	3.0
269.97876	1.1
272.53351	0.7
275.20111	1.1
277.21667	3.2
283.02982	0.7
284.03259	1.0
285.00980	4.3
286.01068	3.5
299.06122	3.0
300.06354	2.4
326.58926	0.7
335.25644	1.0
344.97940	1.0
345.97675	1.0
355.07004	7.1
356.07062	8.7
357.06870	1.0
377.17865	1.1
378.18689	0.9
379.19421	0.8
391.19553	1.2
392.20288	1.2
393.21353	0.9
400.97412	0.7
403.96371	1.4
404.20129	1.5
405.16824	1.3
406.17822	1.0
407.18320	1.3
407.23026	1.4
418.99500	1.0
419.22827	1.3
419.99719	1.7
420.19949	1.4
421.20224	1.5
433.16049	3.5
434.16931	3.8
435.17819	8.7
437.23038	1.2
447.17383	1.3
447.22589	1.5
448.18558	3.9
449.19284	12.5
459.22299	0.8
461.19370	1.1
462.24860	1.3
463.21231	39.0
464.21545	2.9
474.24170	1.1
475.21368	13.0
476.21838	0.9
477.22958	2.8
486.20364	0.8
490.23624	8.8
491.20401	8.5
493.26248	2.9
501.23096	1.5
507.20087	1.2
508.20474	3.1
518.23285	0.9
519.23853	1.4
521.21790	2.2
536.24432	1.5
537.25018	36.1
564.23682	10.6
579.26147	8.8
611.28693	100.0
611.45026	9.8
612.29059	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	611.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08696	1.3
53.03949	3.9
55.05515	22.8
57.03449	6.5
57.07076	4.0
65.03938	2.6
67.05511	60.1
69.07073	18.7
71.04987	2.7
71.08598	1.8
73.79559	1.3
79.05502	43.0
81.07062	57.6
83.04992	1.4
83.08624	10.2
85.06551	2.1
87.93451	1.3
91.05492	44.6
93.07051	50.8
93.07642	2.6
95.04984	3.2
95.08612	47.9
97.06559	4.2
97.10180	5.8
99.08105	2.0
105.04523	2.2
105.07042	41.7
107.08601	29.3
109.06475	1.5
109.10156	18.4
111.08125	1.9
115.05466	2.5
117.07028	19.5
119.08589	38.9
121.10159	22.5
121.11021	1.5
123.08129	2.6
123.11707	7.7
125.09672	2.0
128.06267	3.6
129.07028	11.7
130.07813	2.8
131.08578	31.8
133.10146	29.3
135.11687	15.3
137.13289	1.6
141.07039	2.8
142.07790	3.1
143.08591	14.8
145.10141	29.1
147.11713	26.7
149.13251	9.6
155.08551	6.7
156.09422	2.0
157.10135	19.4
158.14359	1.5
159.11731	22.2
161.13277	16.4
163.14899	4.4
167.08673	3.3
168.09361	1.4
169.10149	9.0
171.11717	15.6
173.13281	18.5
175.11098	1.4
175.14882	6.0
176.76141	1.3
177.16379	1.8
181.10136	5.7
183.11691	8.1
184.12383	1.4
185.13266	15.4
187.14854	6.4
189.16463	2.7
192.26649	1.2
192.38828	1.3
195.11694	2.6
197.13329	7.6
199.14833	11.0
201.16504	3.6
209.13300	2.8
211.14880	4.3
213.16423	5.4
215.18002	3.6
221.13565	1.6
223.14917	2.5
225.16444	2.1
229.19608	1.3
231.21169	3.2
233.19012	1.5
235.14897	1.8
239.18109	1.7
241.19691	11.0
243.21056	2.0
251.17976	1.5
257.19223	3.7
259.20605	22.2
261.22153	4.3
269.22913	2.0
273.22177	2.0
285.22070	1.7
315.23187	1.8
325.25259	1.7
331.22775	1.8
333.24127	8.3
335.25854	21.4
353.28448	1.8
375.54984	1.2
437.34201	1.7
501.40939	1.9
519.42053	8.9
527.37189	2.4
537.43030	3.8
541.38934	1.9
593.45752	10.8
611.46753	100.0
612.46893	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	609.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58940	0.8
53.00301	1.1
53.03948	3.2
53.38870	1.0
54.37862	0.9
55.01873	2.0
55.05269	1.4
55.05516	17.7
57.03446	5.8
57.07080	2.2
65.03938	2.7
65.75202	0.9
67.05510	34.3
69.03441	1.8
69.07077	14.8
70.95673	2.4
71.04990	3.8
71.08634	1.2
79.05498	30.9
81.03407	1.3
81.07066	42.4
83.04985	2.2
83.08616	9.1
85.06577	1.1
91.05485	28.9
93.07047	29.6
95.04972	3.5
95.08613	28.7
97.06544	5.0
97.10167	5.2
99.08108	2.1
103.05504	1.0
105.07040	25.4
105.07696	2.0
107.04974	2.0
107.08602	19.3
109.06532	3.7
109.10165	11.2
111.08080	1.3
115.05471	2.0
117.07023	9.8
119.08585	19.7
119.23827	0.9
121.06461	1.6
121.10142	12.7
123.08148	1.4
123.11734	4.3
125.09621	1.7
127.11211	4.0
128.06253	4.2
129.07018	12.6
131.08577	18.2
133.10144	15.8
135.08073	1.3
135.11684	7.1
141.06999	5.6
142.07808	4.0
143.08568	15.3
144.09363	1.4
145.10129	23.8
147.11713	9.0
149.09657	2.6
149.13266	3.1
153.06999	2.5
154.07817	1.9
155.08580	12.5
156.09334	2.0
157.08896	0.8
157.10126	16.9
159.08179	1.3
159.11713	14.6
161.09651	1.9
161.13292	4.2
163.11201	1.4
163.14859	2.4
165.06956	1.5
167.08595	5.4
168.09467	1.3
169.10152	15.4
170.10872	1.3
171.11696	12.8
173.09602	1.6
173.13257	8.5
175.11200	1.4
175.14859	3.2
179.08556	3.0
179.14220	1.4
180.09355	1.2
181.10130	9.9
182.10884	1.8
183.11707	13.8
185.13261	8.5
187.14828	5.0
189.09186	1.7
189.16397	1.7
193.10217	3.1
194.10980	1.4
195.11664	7.9
197.13231	10.4
197.14806	1.2
199.14854	6.2
201.16408	1.9
203.17932	1.4
205.15895	2.3
207.11751	1.8
209.13321	7.9
211.14822	7.3
213.16484	4.6
221.13365	1.8
223.14873	4.4
225.16466	4.0
227.18103	2.2
229.19563	1.8
235.14958	2.9
237.16496	3.6
239.18039	3.8
243.21333	1.2
251.17993	2.1
253.19522	1.4
255.17438	1.1
257.19095	7.7
259.20517	1.3
265.19586	1.9
275.20135	14.0
295.17322	1.0
295.20532	1.3
311.20282	1.6
311.23694	1.1
323.23630	2.4
331.22906	1.7
335.25809	3.1
337.25137	2.0
349.25351	1.7
351.26953	2.5
381.27975	1.1
391.29813	1.6
418.52325	1.1
461.34198	1.2
517.40448	13.6
535.41663	6.8
539.38147	1.6
553.42651	1.9
573.43121	1.7
591.44263	9.3
609.45178	100.0
610.45386	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.0
55.01883	1.6
55.05514	15.4
57.03444	4.3
57.07084	1.5
59.04969	1.0
65.03944	1.5
67.05505	24.4
69.07072	12.8
71.04990	1.3
76.68889	1.0
79.05495	17.4
81.07057	26.2
83.04949	1.0
83.08626	7.8
91.05481	16.8
93.07043	19.6
95.04996	1.0
95.08614	21.8
97.06520	2.2
97.10156	3.7
99.08102	1.0
103.05470	0.8
105.07031	16.2
107.08595	11.8
109.06591	1.0
109.10164	9.7
110.93814	0.8
113.09652	1.0
115.05451	1.4
117.07032	9.8
119.08581	14.9
121.10154	8.6
123.08080	1.6
123.11736	2.4
125.09650	1.7
127.11154	1.5
128.06252	2.7
129.07007	10.8
130.07825	1.0
131.08562	14.0
133.10139	13.2
133.11102	1.3
135.11717	4.1
137.13283	1.3
139.11174	1.0
141.06993	5.6
142.07773	3.2
143.08557	16.1
145.10130	13.1
147.11670	8.0
149.13298	2.1
153.06979	1.1
154.07774	2.1
155.08571	14.4
156.09338	2.2
157.10135	13.5
159.11711	9.9
161.13295	4.9
163.11223	0.9
165.07054	2.3
166.07797	1.6
167.08615	5.9
168.09393	2.8
169.10133	17.9
170.78268	0.8
171.11702	13.3
173.13290	7.0
175.14795	1.9
178.07835	0.9
179.08591	2.9
180.09299	1.4
181.10117	11.6
182.10851	1.6
183.11710	17.7
185.13275	9.4
187.14873	4.5
189.16429	2.4
192.09361	1.1
193.10094	5.2
194.10916	1.6
195.11707	11.4
196.12445	1.2
197.13269	12.1
199.13179	1.3
199.14806	7.1
201.16481	1.8
207.11757	3.5
208.12517	0.9
209.13264	10.6
211.14864	9.9
213.16423	3.9
215.18031	1.5
219.11780	1.6
221.13312	3.1
223.14832	6.5
225.16354	7.7
226.17004	0.9
227.18059	4.7
235.14922	2.9
237.16350	4.2
239.18015	2.9
241.19630	2.2
247.14751	1.2
249.16476	1.4
251.18002	3.4
253.19606	2.8
255.21104	1.0
257.19131	2.3
261.16492	1.0
263.17889	1.4
265.19427	1.9
279.21072	1.9
281.19211	1.3
283.20609	1.5
287.20169	0.8
291.21057	1.0
293.22568	0.9
297.18588	0.9
299.19839	1.3
307.20630	1.0
309.21918	1.3
311.20090	1.0
321.22153	1.6
323.23700	1.3
327.23322	1.0
335.23611	1.2
337.25446	1.9
349.25299	1.4
351.26978	2.5
353.24976	1.1
361.25125	0.9
363.26855	1.6
365.28400	1.6
379.26126	1.0
381.28088	1.3
391.30029	1.6
393.31747	1.2
407.29196	0.9
421.30591	1.1
429.31076	1.2
447.32608	1.8
461.34219	1.1
493.38788	0.9
499.39496	3.5
504.98581	1.0
517.40472	18.2
535.41565	8.7
539.37457	1.4
540.38879	1.1
555.41858	1.5
573.43024	2.6
591.34686	0.6
591.44000	17.5
609.45123	100.0
610.45557	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
53.03942	2.1
55.01873	2.6
55.05512	15.0
57.03431	4.4
57.07073	2.1
59.30833	0.6
61.00642	0.5
65.03938	2.2
67.05506	31.3
69.07069	13.2
71.04998	1.9
71.08647	0.9
72.75165	0.6
73.06541	0.6
79.05495	23.5
81.03435	0.8
81.07059	30.1
83.04968	1.1
83.08620	7.4
85.06558	1.6
91.05481	20.5
93.07047	23.5
95.04983	2.5
95.08609	25.9
97.06532	3.5
97.10175	4.3
98.20734	1.5
99.08081	1.0
101.79887	0.6
103.05484	1.0
105.04510	0.6
105.07037	22.0
107.04948	1.4
107.08593	16.1
109.06551	1.6
109.10161	10.0
109.10851	1.0
111.08084	1.5
113.09590	0.7
115.05483	2.4
117.07017	11.9
119.08587	15.9
121.10144	9.6
123.08113	1.9
123.11689	2.8
125.09641	2.1
127.07574	0.6
128.06241	3.4
128.07016	0.5
129.07002	11.3
129.07919	0.7
130.07773	1.8
131.08574	16.2
133.10130	15.4
133.11082	0.7
135.08084	1.2
135.11696	5.2
137.13289	0.8
139.11185	1.0
141.06976	6.0
142.07758	4.4
143.08574	16.9
145.06456	0.9
145.10130	19.7
147.11674	7.1
149.09634	2.2
149.13280	2.7
153.07040	2.1
154.07797	1.0
155.08560	15.1
156.09348	1.9
157.10135	15.6
159.11696	12.0
161.09673	1.1
161.13269	4.3
163.11206	1.9
163.14838	1.2
165.07079	1.6
167.08582	6.0
168.09358	1.3
169.10126	16.7
170.10953	1.1
171.11687	14.4
173.13277	7.3
175.14894	1.8
177.12752	0.6
179.08502	2.5
179.14317	1.3
180.09406	1.1
181.10118	7.9
182.10922	1.1
183.11693	15.9
185.13268	8.7
187.11211	1.1
187.14821	3.8
189.16422	1.4
191.08513	0.6
193.10107	3.7
194.10979	1.1
195.11708	8.9
195.13416	0.7
196.12575	1.3
197.13249	12.6
199.14842	7.2
201.16446	1.7
203.17921	0.9
205.10191	0.9
207.11690	4.2
209.13263	8.1
211.14813	8.6
213.16457	3.7
215.14233	0.8
215.17970	1.1
219.11766	1.8
221.13332	3.3
221.15175	0.5
222.14070	0.6
223.14806	6.3
224.15742	0.7
224.75755	0.5
225.16393	4.9
227.18155	3.5
229.19595	1.2
235.14917	2.5
237.16379	4.2
239.17934	4.4
241.19591	2.0
242.27332	0.5
247.14806	1.1
249.16457	1.7
251.17990	2.3
253.19501	1.8
255.21196	0.7
257.19000	3.5
259.14737	0.6
259.20572	0.7
263.18002	1.4
265.19577	1.8
267.21146	0.7
269.18964	0.7
273.22028	0.8
275.20139	5.7
279.21109	2.0
281.18982	0.6
281.22787	0.7
283.17184	0.8
283.20547	1.2
285.22021	0.7
291.21057	0.8
293.21741	0.5
299.23627	0.8
301.21899	0.7
307.20563	0.9
307.23886	0.8
309.22070	1.2
311.23740	0.9
313.21719	0.9
323.23907	1.6
327.23199	1.1
337.25342	1.9
339.22998	0.8
341.24597	0.9
347.23828	0.7
349.24640	0.9
351.23077	1.1
351.26883	1.7
353.24811	0.7
355.26334	0.8
363.26877	1.1
365.28659	1.6
367.26376	0.6
369.28088	0.6
377.28436	1.0
379.26178	0.9
379.30371	0.9
389.27496	0.7
391.29971	1.8
393.31641	1.1
403.30133	0.7
405.31744	0.7
407.29059	0.8
432.19150	0.7
433.19437	0.8
447.21973	0.8
447.32315	2.3
448.21997	0.7
449.33810	1.0
459.31012	0.7
475.35202	0.7
476.21658	2.4
483.35071	0.6
499.39371	1.9
513.36102	0.9
517.40399	12.8
521.24829	1.2
527.37695	0.7
535.41571	6.6
536.23822	0.8
539.37036	0.8
540.38269	0.8
549.23938	1.0
553.38245	0.7
565.43091	0.7
573.43188	1.9
591.26172	0.8
591.36700	0.6
591.44104	13.9
609.26685	16.1
609.45148	100.0
610.26160	0.9
610.45813	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.6
53.03952	2.4
53.41280	0.5
53.42328	0.5
55.01861	2.0
55.05515	16.4
57.03436	5.2
57.07071	1.7
57.60678	0.5
59.04997	0.5
62.94532	0.4
65.03938	1.8
67.05505	28.0
69.03416	0.8
69.07069	12.4
71.04988	1.6
79.05494	21.9
81.03427	1.0
81.07058	30.5
83.04996	1.4
83.08627	6.5
85.06551	2.1
91.05480	21.2
93.07049	23.7
93.60810	0.5
95.04974	2.0
95.08612	24.9
97.06535	2.7
97.10178	3.9
99.08095	0.7
105.07034	19.4
107.04974	0.9
107.08605	11.5
109.06516	1.7
109.10160	9.7
109.10743	0.3
111.08040	1.1
111.11718	0.6
115.05460	1.9
117.07014	10.8
119.08577	16.9
121.06532	0.5
121.10141	9.2
123.08088	1.3
123.11728	2.9
125.06065	0.5
125.09656	1.8
128.06212	2.8
129.07004	12.3
130.07855	1.3
131.08571	15.5
133.10132	13.2
135.08070	0.9
135.11714	4.6
137.09624	0.8
137.13286	1.0
141.06989	6.3
142.07771	3.6
143.08562	13.6
144.09335	1.1
145.10132	16.5
147.11685	6.7
149.09680	1.0
149.13257	3.0
151.11211	0.8
153.07021	1.9
154.07780	1.6
155.08556	12.5
156.09378	1.8
157.10132	15.9
159.11699	12.2
161.09560	0.9
161.13229	3.5
163.11136	0.9
163.14870	1.0
165.07053	1.2
165.12761	0.6
167.08562	5.9
168.09361	2.0
169.10133	15.1
170.10875	0.6
171.11688	13.1
173.13277	6.0
175.14864	2.1
177.16396	0.7
179.08553	2.8
179.14290	0.9
180.09425	0.9
181.10121	8.5
182.10950	1.5
183.11700	14.4
184.12263	0.8
185.13266	10.1
187.14787	3.2
189.16399	1.8
193.10121	3.1
194.10942	1.0
195.11716	9.0
196.12416	1.0
197.13283	10.9
199.13200	0.7
199.14844	5.9
201.16437	2.1
203.14322	0.6
205.10164	1.1
205.15884	1.3
207.11708	4.0
208.12411	1.0
209.13284	7.6
210.14085	0.5
211.14845	6.3
213.16426	4.1
215.17880	0.5
219.11813	0.9
219.17485	1.8
220.12459	0.6
221.13344	3.0
223.14822	6.1
225.16417	4.4
227.18004	1.8
229.15965	0.5
229.19469	0.9
233.13255	1.2
235.14891	2.1
237.16446	3.9
239.18135	2.9
241.19745	1.3
247.14882	0.7
247.20633	0.7
249.16376	1.9
251.17921	2.4
253.19571	1.6
255.21196	0.7
257.18976	3.3
261.22211	0.6
263.17914	1.4
265.19540	1.6
267.21246	1.3
275.20108	6.8
277.19403	1.0
279.21103	1.3
281.22806	0.8
283.20480	0.8
285.22171	0.6
295.20517	0.5
295.24570	0.6
297.22330	0.7
299.20032	0.7
307.20547	1.2
309.22174	1.5
311.23624	1.1
313.21811	0.9
313.25305	0.8
321.22223	0.9
323.20059	0.6
323.23648	1.7
325.21664	0.8
327.23169	1.3
331.22791	0.5
335.26053	0.7
337.25256	1.3
339.26993	0.6
341.24792	1.0
349.25302	1.6
351.26816	2.1
353.24680	0.9
353.28549	1.0
355.26410	1.0
363.26874	1.0
365.24445	0.6
365.28497	1.2
367.26398	0.6
377.28278	0.8
379.30148	1.4
381.28165	0.6
391.29825	1.2
393.27603	0.8
409.30960	0.9
421.30814	0.8
423.32425	0.6
425.30612	1.2
433.30142	0.8
435.32297	0.7
447.32626	1.6
449.34308	0.7
473.33096	0.5
483.34979	0.6
499.39362	1.7
501.36200	0.6
509.36734	0.6
515.37305	0.8
517.40485	13.0
521.35876	0.9
531.24194	0.6
535.41553	6.4
549.25159	1.2
553.42688	0.9
555.41852	0.7
573.43042	2.3
581.42786	0.5
591.44012	12.5
609.27045	9.8
609.45142	100.0
610.27283	0.8
610.45642	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	609.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.01864	3.9
55.05511	18.5
55.23124	1.1
57.03432	2.7
57.07066	2.1
65.03938	3.1
67.05508	40.2
69.07070	16.7
69.15658	11.9
71.04983	1.8
79.05495	32.0
81.07060	41.4
83.04991	2.9
83.08617	7.5
85.06551	1.6
91.05481	30.2
92.50872	1.0
93.06477	2.4
93.07052	35.2
95.04964	2.8
95.08617	30.1
97.06528	3.6
97.10194	5.5
99.08077	1.3
105.04519	1.4
105.06322	1.4
105.07033	29.2
105.07700	2.2
107.04966	2.1
107.08602	20.7
108.77852	1.1
109.06528	3.2
109.10159	12.8
111.08074	2.3
113.60929	1.1
115.05434	2.1
117.07021	15.6
119.08585	25.7
121.10147	15.5
121.43445	1.3
123.08070	1.9
123.11726	2.5
125.09609	2.2
128.06252	3.7
129.06993	13.6
130.07784	2.1
131.06998	1.2
131.08589	21.7
133.10130	16.0
135.08060	2.3
135.11691	8.3
141.06993	5.4
142.07805	3.7
143.08597	12.1
143.76711	1.0
145.10132	22.3
147.11679	9.5
149.09628	2.3
149.13275	3.4
154.07770	1.3
155.08556	11.4
157.10132	14.3
159.11705	13.0
160.82944	1.1
161.13269	4.9
163.11366	1.4
163.14821	1.6
165.06819	1.7
167.08606	5.7
169.10133	12.4
171.11702	12.6
173.13251	9.4
175.14827	2.5
179.08656	1.3
180.09436	1.3
181.10101	7.6
182.10829	1.3
183.11713	13.5
185.13295	9.0
187.14787	5.3
189.16383	1.4
193.10225	3.1
195.11737	7.2
197.13298	10.3
199.13300	1.6
199.14806	6.8
201.16412	2.7
205.10289	1.9
207.11757	3.0
209.13277	7.3
211.14839	6.3
213.16441	4.1
215.17995	1.2
219.11722	1.3
221.13252	2.9
223.14935	5.4
225.16472	3.1
227.18202	2.6
229.19633	1.6
235.14743	1.5
237.16422	3.9
239.17986	5.0
251.18117	1.5
255.20947	1.1
257.19016	6.4
263.17935	1.7
265.19678	1.5
275.20078	13.7
281.18991	1.2
285.22342	1.3
331.22614	1.9
335.25922	2.5
351.27014	2.0
447.32495	1.4
499.39459	1.5
517.40344	8.1
535.41473	5.1
584.15094	1.1
591.25781	1.4
591.43915	9.8
609.28491	2.8
609.45166	100.0
610.45624	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	609.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.01864	3.9
55.05511	18.5
55.23124	1.1
57.03432	2.7
57.07066	2.1
65.03938	3.1
67.05508	40.2
69.07070	16.7
69.15658	11.9
71.04983	1.8
79.05495	32.0
81.07060	41.4
83.04991	2.9
83.08617	7.5
85.06551	1.6
91.05481	30.2
92.50872	1.0
93.06477	2.4
93.07052	35.2
95.04964	2.8
95.08617	30.1
97.06528	3.6
97.10194	5.5
99.08077	1.3
105.04519	1.4
105.06322	1.4
105.07033	29.2
105.07700	2.2
107.04966	2.1
107.08602	20.7
108.77852	1.1
109.06528	3.2
109.10159	12.8
111.08074	2.3
113.60929	1.1
115.05434	2.1
117.07021	15.6
119.08585	25.7
121.10147	15.5
121.43445	1.3
123.08070	1.9
123.11726	2.5
125.09609	2.2
128.06252	3.7
129.06993	13.6
130.07784	2.1
131.06998	1.2
131.08589	21.7
133.10130	16.0
135.08060	2.3
135.11691	8.3
141.06993	5.4
142.07805	3.7
143.08597	12.1
143.76711	1.0
145.10132	22.3
147.11679	9.5
149.09628	2.3
149.13275	3.4
154.07770	1.3
155.08556	11.4
157.10132	14.3
159.11705	13.0
160.82944	1.1
161.13269	4.9
163.11366	1.4
163.14821	1.6
165.06819	1.7
167.08606	5.7
169.10133	12.4
171.11702	12.6
173.13251	9.4
175.14827	2.5
179.08656	1.3
180.09436	1.3
181.10101	7.6
182.10829	1.3
183.11713	13.5
185.13295	9.0
187.14787	5.3
189.16383	1.4
193.10225	3.1
195.11737	7.2
197.13298	10.3
199.13300	1.6
199.14806	6.8
201.16412	2.7
205.10289	1.9
207.11757	3.0
209.13277	7.3
211.14839	6.3
213.16441	4.1
215.17995	1.2
219.11722	1.3
221.13252	2.9
223.14935	5.4
225.16472	3.1
227.18202	2.6
229.19633	1.6
235.14743	1.5
237.16422	3.9
239.17986	5.0
251.18117	1.5
255.20947	1.1
257.19016	6.4
263.17935	1.7
265.19678	1.5
275.20078	13.7
281.18991	1.2
285.22342	1.3
331.22614	1.9
335.25922	2.5
351.27014	2.0
447.32495	1.4
499.39459	1.5
517.40344	8.1
535.41473	5.1
584.15094	1.1
591.25781	1.4
591.43915	9.8
609.28491	2.8
609.45166	100.0
610.45624	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	609.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	30.7
61.62000	9.6
66.60165	9.3
67.05489	25.5
69.03434	20.4
69.07086	45.5
69.30824	16.0
69.31219	76.6
71.04980	11.0
73.01214	10.8
76.81467	9.5
79.05497	22.2
81.03420	26.8
81.07056	100.0
83.04988	44.8
83.08621	14.4
84.05339	12.9
85.02898	25.5
85.06555	24.2
91.05452	14.6
93.07059	48.5
95.04958	14.7
95.08617	54.6
97.02903	26.2
97.06527	17.3
103.05460	8.9
105.07040	36.4
107.08630	52.8
109.10168	26.8
111.08081	27.7
111.11720	16.6
112.21671	10.8
117.07043	15.9
119.08635	16.4
121.10141	24.4
123.11726	23.3
133.10152	16.8
134.84230	8.0
135.11681	18.3
139.11177	29.3
139.82808	9.8
145.10133	11.0
147.11723	12.4
151.11218	39.8
159.11632	10.0
165.12857	11.8
244.89093	9.4
271.24030	12.4
277.25363	16.5
289.25409	58.2
307.26300	71.0
317.93884	10.2
325.27209	18.6
347.03680	11.3
361.09235	33.3
372.08105	9.5
397.18796	9.1
609.28961	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	609.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33044	6.7
50.81837	7.7
53.03930	9.5
55.05506	31.5
67.05494	24.8
69.03431	17.6
69.07075	78.5
79.05496	26.5
79.42378	9.3
81.07055	100.0
83.04989	55.3
83.08643	15.9
84.05326	12.1
85.02914	15.8
85.06547	18.8
87.00841	8.9
91.05492	18.7
93.07051	56.8
95.04979	18.8
95.08612	59.5
97.02907	17.9
97.06561	18.6
105.07034	32.1
107.08607	47.3
109.02862	16.1
109.10159	30.9
111.08074	17.4
111.11732	21.1
119.08554	16.6
121.10146	26.1
123.11713	26.5
125.55422	7.4
127.03906	14.2
133.10126	23.8
135.11710	17.5
137.05957	9.4
139.11169	17.9
142.71107	6.8
143.08603	8.0
145.10103	13.1
147.11687	10.0
149.13292	9.6
151.11183	33.5
163.14801	9.3
165.12762	10.9
185.09586	8.7
277.25339	12.7
289.25272	45.6
307.26297	71.7
361.09146	32.4
407.33316	8.3
410.51593	7.9
499.71503	8.2
609.29388	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.6
53.03946	5.7
55.01875	3.2
55.05516	14.9
57.03432	9.7
57.07077	3.2
65.03940	4.1
67.05508	44.8
69.07072	10.9
71.04994	3.1
71.08627	1.9
71.50842	1.5
74.73133	1.1
77.03979	1.6
79.05498	48.6
81.03436	1.8
81.07059	39.3
81.07533	2.2
83.04992	5.4
83.08617	7.0
85.06538	3.2
91.05485	51.2
93.07046	49.9
93.07642	2.2
95.04977	6.9
95.08612	27.9
96.08968	1.5
97.06512	8.3
97.10190	3.0
99.04463	2.8
105.04525	2.3
105.07034	31.9
107.04951	6.7
107.08604	24.2
109.06521	6.2
109.10162	13.8
111.08089	1.5
117.07023	13.4
119.08598	25.4
121.06519	2.0
121.10149	19.6
123.08070	2.5
123.11732	2.9
125.09597	1.8
129.07060	5.2
129.39716	1.0
131.08575	20.4
133.10132	20.3
135.08055	1.9
135.11679	10.5
137.09633	1.3
143.08585	4.6
145.10150	13.2
147.11719	10.4
149.09612	7.4
149.13306	4.3
153.12720	2.8
155.08624	1.2
157.10181	2.1
159.11713	8.9
161.13324	2.7
163.11221	1.2
169.10187	2.5
171.11693	3.1
173.11946	1.7
173.13191	5.4
175.14856	1.8
177.12816	1.9
183.11813	2.2
185.13318	2.8
197.13353	1.8
201.16432	5.0
203.14354	2.5
209.15506	1.4
219.17448	100.0
239.18033	1.7
241.17934	1.1
257.19061	4.7
275.20065	30.3
275.22757	2.2
278.14697	1.4
293.21115	2.7
297.46960	1.3
304.68271	1.2
335.26001	1.6
349.23798	1.7
497.42059	6.5
609.45221	46.3
610.45782	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2709
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03961	0.3
55.01859	0.4
55.05509	0.6
67.05504	1.6
69.07050	0.7
69.55037	1.9
77.79807	0.2
78.26006	0.3
79.05492	1.7
81.07060	1.4
91.05482	1.2
93.07046	1.7
95.04971	0.3
95.08617	1.4
105.07024	1.1
107.08603	1.1
108.08096	0.4
117.07066	0.6
119.08577	0.6
121.10205	0.4
129.07062	0.4
131.08595	0.8
133.10138	0.7
143.08577	0.4
145.10147	0.7
147.11722	0.3
149.13277	0.4
157.10118	0.4
159.11761	0.5
165.49826	0.3
169.10165	0.4
171.11787	0.3
181.10097	0.3
183.11804	0.4
197.13249	0.3
209.10724	0.4
223.12320	0.6
224.13110	0.5
225.13870	0.4
237.13814	0.5
239.15414	0.4
247.12300	0.3
251.15443	0.5
275.20102	1.0
374.16571	0.3
375.16211	0.5
376.17551	0.8
377.17706	0.9
389.18417	1.1
390.18802	1.0
391.19220	1.8
392.19769	1.3
393.21011	0.4
400.17264	0.5
401.17871	0.7
402.19019	0.3
403.19611	0.8
404.20502	0.9
405.20990	3.7
406.21634	2.0
407.22379	2.9
413.17859	0.7
414.18457	0.7
415.19504	1.6
416.20334	0.4
417.21698	0.5
419.18625	1.1
419.22675	1.0
420.23187	1.1
421.23962	3.8
422.24625	0.9
427.19281	0.5
428.19833	0.9
429.20972	1.9
430.21951	1.2
431.18469	0.9
432.19412	0.5
433.20111	1.7
433.24814	0.7
434.20352	0.4
443.22849	0.6
444.23224	0.9
445.20432	1.1
446.21228	0.9
447.18277	2.4
448.18524	0.5
449.23557	1.2
457.24579	1.4
459.21970	1.8
460.23346	1.8
461.19113	5.4
462.20209	2.4
463.21115	1.5
464.22525	0.3
470.21320	0.4
472.22845	0.7
473.19717	1.0
474.19870	1.3
475.21152	8.1
476.21832	6.8
477.22379	4.6
478.23785	1.0
479.24310	0.7
484.18860	0.5
485.23639	5.4
486.20380	2.7
487.20889	0.9
487.25928	0.6
488.22046	1.3
489.22968	4.5
493.22433	0.9
494.26837	0.7
497.23264	0.5
499.21445	3.0
500.21851	1.3
502.23566	0.3
503.24649	6.8
504.25952	0.6
505.22507	0.7
507.24161	0.5
513.22882	0.9
515.24518	5.4
517.22241	1.9
518.23126	0.8
519.23401	0.4
521.26050	3.1
531.23920	8.9
532.24554	0.3
533.25482	0.7
535.23358	1.0
541.22870	0.7
549.25183	2.5
549.32629	0.5
550.25629	4.3
559.23358	5.1
563.26630	1.3
577.24457	1.9
591.26062	14.7
592.26489	0.6
609.27081	100.0
609.44623	2.9
610.27502	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	609.2713
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03944	1.3
55.01871	1.1
55.05277	0.4
55.05520	4.7
56.10317	0.4
57.03428	1.0
57.07061	0.6
65.03940	0.9
67.05509	11.6
69.07077	4.7
71.05005	0.6
77.03910	0.4
79.05499	9.5
81.03416	0.6
81.07066	11.1
83.04995	1.0
83.08625	2.2
85.06552	0.5
91.05486	9.6
93.07057	10.4
93.07647	0.8
95.01371	0.3
95.04985	1.7
95.08617	7.5
97.06557	2.2
97.10181	1.1
98.98508	0.4
101.40456	0.4
105.04542	0.6
105.07049	8.2
107.04955	0.9
107.08612	6.1
109.06508	0.7
109.10155	3.1
111.08109	0.5
116.06201	0.6
116.16911	0.4
117.07030	4.2
119.08599	5.8
121.06512	0.5
121.10139	3.7
123.11736	0.8
125.09584	0.4
128.06273	0.8
129.07018	2.5
131.08589	6.4
133.10152	4.8
135.08127	0.9
135.11725	2.7
135.99629	0.3
137.09686	0.7
141.06996	0.9
142.07846	0.5
143.08557	2.7
145.10139	7.5
147.11707	2.9
149.09644	1.5
149.13248	1.1
155.08604	1.3
157.10178	2.3
159.08121	0.4
159.11708	4.8
161.09634	0.4
161.13272	1.5
163.11168	1.0
167.08635	0.7
169.10156	1.8
171.11703	2.5
173.13257	2.4
175.14880	1.1
179.08484	0.5
179.14322	0.6
181.10133	1.3
183.11716	2.3
185.13268	1.9
187.11159	0.6
187.14761	0.6
189.12860	0.5
195.11720	1.0
197.13298	1.5
201.16440	0.5
209.13382	0.8
211.14917	0.7
213.16467	0.7
219.17502	0.8
223.14844	0.7
229.19623	1.0
237.13905	0.6
237.16289	0.4
239.17967	2.0
257.18997	3.9
257.61221	0.4
261.22165	0.9
275.20065	6.4
309.25858	0.4
331.22794	1.2
335.25809	1.4
348.67816	0.4
390.18173	0.4
391.19324	0.9
400.17538	0.4
405.20847	1.0
415.19376	0.7
416.20340	0.8
417.21152	0.8
418.22031	0.7
419.18134	0.6
419.22879	0.7
421.20197	0.6
427.19339	0.4
429.20819	2.5
430.21988	1.0
431.18616	1.6
433.19559	1.1
433.24020	1.5
433.29004	0.4
434.21045	0.6
435.21741	0.6
443.22675	1.4
444.23221	1.6
445.19696	0.7
445.24841	0.6
447.22537	2.2
449.23651	0.7
457.19907	0.5
458.25012	0.8
459.21228	3.2
460.22784	2.1
461.19437	2.2
461.23932	2.3
462.20941	1.5
463.21005	0.9
468.37595	0.7
472.22690	2.4
473.23911	0.8
474.24698	0.6
475.21246	1.2
475.25641	0.5
476.22015	2.6
477.23267	2.2
485.23550	1.1
487.25146	4.0
489.23468	1.9
490.24066	1.0
492.24896	0.5
503.24805	2.0
505.19043	0.7
505.26147	0.5
517.40717	0.7
519.23657	1.9
521.21570	3.4
531.23987	21.6
532.24512	1.5
535.23645	0.6
535.41461	0.7
549.25018	11.9
550.27264	1.2
563.26416	1.4
580.23322	0.5
591.26160	2.7
591.44287	1.1
608.43860	0.6
609.27118	100.0
609.44366	18.4
610.27460	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	609.2709
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
52.00168	0.5
55.05505	1.1
63.83826	0.6
67.05521	3.1
69.07040	0.6
79.05492	2.2
81.07047	1.6
91.05468	2.5
93.07040	2.7
95.08615	1.6
105.07027	2.2
107.08614	1.5
109.10139	1.2
111.08119	0.6
116.07092	1.6
117.07003	0.8
119.08622	1.0
121.10081	0.7
124.83186	0.5
129.06992	0.6
131.08572	1.2
133.10155	1.1
137.06041	0.6
143.08594	0.6
145.10167	1.7
151.05623	0.6
157.10115	1.4
159.11707	1.3
174.07658	1.2
175.07597	0.8
193.04501	0.6
215.23218	0.6
257.19162	0.7
280.47769	0.6
338.27814	0.6
361.09277	0.7
375.16269	0.7
388.16550	0.7
389.17786	1.9
401.18301	0.9
402.18646	1.1
403.19315	2.0
404.20087	0.7
405.21039	1.4
415.19400	1.5
416.20206	0.7
417.16168	2.7
417.21106	2.1
418.17676	0.9
419.22803	3.3
420.23709	0.6
430.17758	0.9
431.17969	3.6
432.19623	1.9
433.19995	3.5
435.21573	0.6
442.18414	0.6
443.18420	4.5
444.19446	1.0
445.20105	8.8
446.21063	6.7
447.21906	6.0
449.23273	1.0
458.21024	1.2
459.22281	2.9
461.19763	1.6
462.19986	0.8
463.21045	3.5
473.23099	0.6
475.20728	0.8
476.22009	5.0
477.22818	5.0
478.23950	0.9
489.22977	1.3
491.20804	1.8
508.24622	1.2
518.22791	0.9
519.23956	16.7
521.21454	2.8
531.24036	1.4
549.25043	13.7
550.25195	0.9
579.26227	6.9
591.25867	1.6
608.44354	0.8
609.27063	100.0
610.27228	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	608.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	10.9
55.01873	13.3
57.03432	5.5
57.94820	1.6
60.31225	1.7
61.02915	7.1
62.69932	1.9
68.99790	3.6
69.03096	2.6
69.03438	35.9
70.06598	2.1
70.63415	5.5
71.04974	5.8
73.02918	8.9
79.05446	2.2
81.03426	29.4
83.01334	2.7
85.02913	93.6
87.00842	40.4
87.04444	2.4
91.05472	4.4
93.07055	4.1
97.02304	3.2
97.02902	48.5
99.04466	17.5
103.05455	7.7
105.01201	3.3
105.01877	49.1
107.04952	2.2
108.04481	2.9
109.02887	32.2
117.01867	2.9
117.07023	1.9
119.50888	1.8
121.06527	15.4
125.02359	2.8
127.03934	79.3
129.01823	4.9
129.61803	1.7
140.04688	21.5
145.04973	42.5
147.02882	4.0
149.06010	15.3
153.05516	10.0
159.02902	22.0
169.10161	1.7
173.05966	2.4
180.08553	1.8
181.08612	100.0
189.03925	3.5
205.08658	12.3
213.03905	5.5
231.05022	25.2
247.09669	8.5
249.05992	6.2
271.09747	4.1
289.10721	5.9
346.75369	1.8
394.41040	1.9
449.21310	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.05517	9.9
57.03440	2.2
57.07073	2.5
59.04977	4.2
65.79089	2.5
67.05508	15.3
69.03423	8.4
69.06736	2.6
69.07072	28.8
69.59550	13.5
70.06586	2.8
71.01347	4.2
71.04997	17.8
77.43693	2.3
79.05506	14.4
81.03403	3.7
81.07065	57.4
83.04994	4.1
83.08606	9.0
85.02890	7.1
85.97103	2.0
91.05467	11.0
93.06483	3.4
93.07047	45.2
95.04963	3.6
95.08611	43.5
97.06531	3.6
97.10162	4.4
98.20850	3.8
99.04452	2.9
103.05469	9.7
105.07041	11.1
107.08607	25.9
109.06487	2.8
109.10168	31.4
111.11726	5.9
115.05468	5.0
117.07024	9.7
119.08582	9.3
121.06498	6.2
121.10154	100.0
122.03646	4.3
123.11697	15.8
127.03905	2.9
131.04950	16.3
131.08527	3.3
133.06509	2.3
133.10129	3.3
134.07368	2.2
135.11691	20.8
137.05980	49.5
137.09601	2.8
137.13260	13.8
139.11200	3.8
143.08542	4.5
145.06494	5.4
145.10138	13.3
147.11682	8.2
149.09604	2.4
149.13289	5.7
151.11197	2.2
151.14897	2.5
153.12746	10.1
155.14305	6.1
159.11653	10.6
161.05997	2.9
161.13217	5.6
162.06760	3.0
163.07550	47.0
163.11180	15.3
163.14835	2.9
165.12790	2.0
171.08020	4.6
173.13191	2.8
177.09122	91.3
177.10687	4.3
181.12253	25.2
187.13297	2.6
199.13287	2.3
203.10710	17.8
215.18051	3.0
231.21162	4.6
271.24191	14.8
289.25226	12.0
295.26413	5.7
307.26401	13.0
325.27368	8.5
482.54144	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	609.271
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
52.64217	0.7
55.05501	2.9
67.05515	5.0
69.03390	0.7
69.07059	1.3
69.15006	7.8
69.15410	2.5
74.83500	0.8
79.05506	4.7
81.07067	6.1
91.05457	3.4
91.05979	0.7
93.07060	4.5
95.08601	2.8
98.21482	1.5
105.07030	3.3
107.08593	2.2
109.10130	1.0
117.07027	2.0
119.08611	2.0
121.10162	1.1
129.07024	1.5
131.08609	2.0
133.10161	1.3
134.43629	0.9
135.11647	1.1
143.08580	0.8
145.10144	3.4
147.11700	1.6
149.13315	0.9
154.85049	0.6
157.10184	1.2
159.11731	1.8
161.13258	1.2
170.91754	0.8
197.10791	1.2
206.84453	0.9
207.68863	0.8
257.19043	1.1
275.20193	3.0
364.51736	0.9
375.16403	0.8
389.18591	1.0
390.18372	1.0
391.19400	2.3
392.19958	2.5
403.19449	1.4
404.20474	1.1
405.20914	3.3
406.21576	2.2
407.22186	3.5
415.19199	2.0
417.21133	1.3
419.18326	1.3
421.23846	5.9
428.20319	1.0
429.20792	2.8
430.21939	1.5
433.20279	2.7
434.25214	0.9
442.21536	1.0
443.22580	1.3
444.23590	1.5
445.20374	1.2
447.18237	3.1
449.23553	1.3
452.22260	1.4
457.24011	3.2
459.21832	1.7
460.22723	2.4
461.19290	8.2
462.20660	2.3
463.21588	1.5
465.23392	0.9
472.22696	1.7
473.19553	1.0
474.20697	1.3
475.21048	11.1
476.21753	6.9
477.22455	5.2
479.24643	1.7
485.23666	10.6
486.20657	2.9
487.25259	1.0
488.22379	1.3
489.22998	5.9
490.20184	1.0
494.27054	1.1
499.21326	3.1
500.22284	1.9
503.24591	6.4
504.25446	1.2
513.23138	2.2
515.24481	10.5
517.22705	1.3
521.25208	3.5
531.24005	18.2
549.24902	2.2
550.25745	5.0
559.23383	7.3
591.26025	33.4
592.26556	1.2
609.27112	100.0
609.45020	8.8
610.27368	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	607.2915
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
59.31898	0.6
68.20232	0.6
69.80361	3.1
69.80797	0.9
92.74522	0.6
106.63672	0.6
124.50062	0.6
138.86751	0.6
213.30527	0.6
388.16742	1.0
389.17575	1.0
402.18674	0.7
403.19376	4.6
405.20883	1.4
415.19482	0.9
417.16357	1.2
417.21780	2.9
418.21573	2.1
419.22266	3.3
430.17816	0.9
431.17999	6.3
432.19540	2.1
433.24133	6.9
434.24435	1.5
445.19904	8.7
446.21057	5.0
447.21683	4.2
459.21402	4.5
460.22571	12.8
461.23419	12.6
473.23798	4.4
474.23978	0.7
477.22409	0.9
487.25320	1.2
492.25266	1.1
505.21790	3.1
506.26929	1.0
519.24298	2.0
519.27563	1.9
532.24677	0.8
533.25262	0.7
547.27130	31.4
548.28284	0.7
607.29193	100.0
608.29449	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.9
55.01877	13.1
57.03435	7.2
61.02934	8.5
64.16988	1.5
68.99787	3.9
69.03090	2.1
69.03434	28.1
70.06587	1.8
71.04989	5.6
71.42636	1.9
71.42974	1.9
73.02929	10.4
79.05505	1.4
81.03426	31.6
81.07082	1.7
84.08134	1.6
85.02911	90.2
87.00836	36.2
87.04482	3.2
89.06029	16.0
91.03929	3.6
91.05483	3.2
93.07041	3.1
97.02302	3.0
97.02901	47.9
99.04460	16.6
103.03928	1.6
103.05469	5.8
105.01880	41.8
107.04974	2.5
109.02886	36.2
115.03983	1.6
117.01861	2.2
117.07034	2.6
121.06524	14.8
125.02400	1.4
127.03930	73.9
129.01834	3.7
133.08629	8.1
140.04671	19.3
145.04970	40.8
145.06255	2.4
145.06471	1.8
147.02875	3.8
149.05991	16.4
153.05444	13.9
153.91412	1.5
159.02911	23.2
163.07565	2.0
164.04736	2.0
173.06009	2.4
177.09201	1.5
177.11227	3.2
180.08641	1.9
181.08604	100.0
189.03964	5.2
191.07057	1.9
193.08650	1.4
196.33479	1.4
205.08611	18.5
206.05792	1.9
210.87930	1.5
213.03978	3.9
217.08794	1.8
222.20418	1.4
223.09570	1.4
225.20465	1.5
231.05031	14.5
247.09689	9.8
249.06068	3.0
258.09033	1.3
271.09686	2.6
281.39642	1.3
289.10712	7.8
329.80994	1.4
375.10898	1.8
380.47595	1.5
562.39307	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
53.03949	1.8
55.01864	1.0
62.09998	0.7
69.03426	2.7
70.06615	0.9
71.50166	0.8
81.03400	1.8
85.02904	4.8
86.88078	0.8
87.00804	2.1
91.05481	1.5
97.02882	2.1
103.05472	48.4
105.01854	0.9
105.07027	2.5
107.08627	1.8
109.02875	1.9
115.05479	1.2
119.04994	1.1
119.08621	0.8
127.03897	3.6
129.07001	0.8
131.04935	100.0
133.10156	1.3
137.05968	7.4
147.04425	0.9
161.04703	1.0
161.06001	3.3
163.07549	44.7
175.07581	2.4
179.10718	1.1
187.07648	1.2
197.11745	9.6
243.51543	0.7
271.64124	0.7
291.10147	1.0
329.88150	0.8
564.39801	0.9
639.00690	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2556
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
70.63039	0.6
95.08614	0.3
221.10721	0.4
222.11613	0.3
223.12383	0.6
233.10849	0.2
234.11400	0.2
298.13223	0.3
373.14688	0.5
374.15546	0.6
375.16016	1.1
376.17371	0.3
386.16351	0.3
387.16199	0.6
388.16858	1.0
389.17691	2.9
390.18454	1.3
391.19217	1.1
401.17914	0.8
402.14105	0.5
402.18906	1.1
403.15668	0.5
403.19492	4.4
404.20053	1.8
405.16714	0.3
405.20959	3.6
406.21313	0.3
413.17587	0.3
415.19650	0.6
415.48138	0.2
416.15570	1.1
416.20996	0.4
417.17133	4.1
417.21158	2.8
418.17386	0.7
418.22525	1.1
419.22592	6.0
420.23117	1.0
429.16696	0.4
430.17880	0.9
430.22934	0.3
431.18381	8.4
432.19199	3.5
433.20044	3.6
434.21021	0.3
443.18756	0.4
445.20303	5.5
446.21094	8.2
447.21777	9.2
448.22458	0.8
459.17590	0.8
459.22055	1.3
460.18295	0.5
460.23279	0.3
461.19565	2.0
462.24374	0.5
463.20618	0.5
463.25998	0.3
473.18396	0.5
473.23709	1.0
474.20462	5.8
475.21222	5.6
477.23059	0.8
478.23740	0.9
487.21359	1.6
488.22159	0.3
490.23883	0.5
491.20108	3.1
501.23053	1.2
505.22314	0.9
506.23270	0.7
518.23151	0.3
519.24176	16.9
520.24689	0.5
529.22552	0.3
532.21173	0.4
547.23474	13.1
548.24030	0.8
551.26941	0.4
561.24713	0.5
575.23322	0.3
579.26038	6.3
589.24432	0.4
607.25555	100.0
608.25916	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	607.2555
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
53.03948	0.8
54.33422	0.8
55.05511	1.8
66.84586	0.8
67.05515	2.8
69.07082	1.5
70.96651	1.8
74.88663	0.7
79.05508	2.4
81.07069	2.4
89.18372	0.8
91.05490	4.6
93.07047	2.3
95.08634	1.8
101.49933	0.9
105.07037	4.2
107.08668	1.1
108.86584	0.7
117.07072	1.5
119.08607	3.0
131.08615	1.1
133.10112	1.6
145.10103	0.9
147.11780	1.3
171.11676	1.0
217.12309	0.8
241.19572	0.9
275.20105	3.8
379.00134	0.9
387.10840	1.0
387.16058	1.2
388.16925	2.0
389.17685	2.9
390.18475	2.7
401.18094	1.0
402.18292	1.1
403.19504	4.8
404.20081	2.6
405.20880	3.5
415.15143	1.1
416.16284	1.1
417.17160	3.6
417.21140	2.8
419.22546	8.3
430.17822	0.9
431.18472	9.0
432.19519	2.4
433.20404	3.5
445.20111	7.6
446.21039	7.6
447.21915	12.7
459.18011	2.2
459.23123	1.1
460.18887	1.2
461.19647	1.7
463.25278	1.8
473.19427	1.2
474.20480	12.5
475.21259	13.9
478.23761	1.1
487.21329	2.7
488.22058	1.7
490.23627	1.9
491.20859	2.3
501.22787	1.6
504.21423	0.9
519.24152	13.5
520.24847	1.2
532.21204	0.9
547.23450	74.9
548.23926	1.5
561.24780	1.2
579.26208	3.9
589.24567	1.7
607.25580	100.0
607.43121	4.0
608.26410	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	605.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.01861	4.8
57.03430	2.2
62.82113	1.8
65.03933	2.2
69.03425	9.8
69.28603	14.2
73.02930	2.0
79.05501	3.7
81.03432	10.1
83.04990	2.2
85.02905	10.9
87.00816	5.4
91.05484	5.1
94.04153	2.0
97.02896	3.9
99.04443	3.6
103.05467	8.8
105.07049	2.9
107.04953	2.1
109.02870	5.6
109.06512	1.6
115.05435	5.0
117.07035	3.3
121.52397	1.3
122.03604	8.8
123.08096	1.4
125.05999	3.4
127.03934	9.4
128.06239	2.8
129.06984	6.0
131.04942	13.9
133.06435	2.2
135.08047	2.2
137.05991	100.0
143.04962	3.2
145.06456	2.3
146.03572	2.7
151.03934	1.5
153.05400	2.2
155.04906	2.6
157.06442	4.8
159.02921	3.6
161.05952	9.0
163.07559	15.3
165.05486	4.9
173.05969	3.9
175.07552	5.7
177.05429	2.4
179.07094	1.7
185.05930	1.9
187.07507	2.4
189.07008	3.1
189.09103	1.9
190.07898	2.2
191.07043	26.1
191.08574	3.0
199.07576	4.6
201.07043	1.9
203.06995	2.3
205.08505	2.3
208.35504	2.1
211.07257	2.5
215.06871	3.3
217.08606	15.2
218.07253	5.8
219.08052	5.7
221.06000	1.9
225.09021	2.2
229.06587	1.8
231.08099	2.3
235.07509	5.5
236.08359	2.2
237.09241	1.8
246.06772	6.5
247.07591	8.6
248.08319	4.5
249.05373	2.6
249.09062	4.4
251.10858	2.6
257.05896	2.4
259.07556	3.4
261.09116	10.2
263.07031	4.3
264.07761	3.3
265.08432	1.8
266.09390	1.9
269.08109	1.6
274.06250	5.7
275.07010	5.6
276.07837	2.9
277.08710	8.8
278.09454	2.8
279.10135	6.7
289.08603	15.7
290.09341	1.7
291.06778	3.2
291.10129	13.2
292.07446	2.3
294.08936	3.0
306.08798	3.0
307.09695	19.9
308.10211	2.1
309.11240	11.2
311.12845	2.0
321.11224	39.3
323.12766	21.8
327.12241	20.2
339.12320	27.5
341.13898	10.8
357.09479	3.1
357.13300	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	607.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
89.83609	0.6
97.56373	0.6
100.79699	0.5
110.45088	0.6
129.35649	0.6
167.70088	0.5
210.85194	0.5
268.19641	0.5
309.75836	0.7
342.76569	0.6
375.16559	0.7
388.17050	1.1
389.17682	1.3
401.17941	1.1
402.18710	1.3
403.14597	0.9
403.19229	5.8
404.20114	1.3
405.21011	2.1
415.19345	1.0
416.20288	1.6
417.21408	6.3
418.21967	2.8
419.22385	3.9
420.23248	0.8
429.21198	1.0
430.17706	1.8
431.18271	12.2
432.19498	1.8
432.24182	0.9
433.24149	12.6
434.24643	1.4
445.19769	11.8
446.20853	6.4
447.21628	3.9
449.22739	0.8
459.21420	5.1
460.22522	15.8
461.23370	17.9
473.23898	4.2
474.24051	1.6
475.22079	0.6
477.22940	0.7
487.24957	2.2
491.24994	0.7
505.21652	2.7
515.24402	1.4
518.23102	0.9
519.24347	2.3
532.24768	1.2
533.25824	0.7
547.27100	56.5
548.27557	1.6
575.26544	1.8
579.29926	1.3
607.29205	100.0
608.29218	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	605.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.1
57.07071	1.6
67.05503	2.3
68.02050	0.4
69.07070	0.8
71.08642	0.8
79.05500	0.6
81.07052	2.7
83.08624	0.9
91.05473	0.8
93.07061	1.4
95.04991	0.4
95.08624	1.3
97.06541	0.6
97.10201	0.5
98.21552	0.9
105.07012	1.3
107.08612	0.9
109.06537	0.4
109.10157	0.9
109.79346	0.4
110.26104	0.3
119.08598	1.3
121.10123	0.6
122.36925	0.3
131.08551	0.9
133.10161	0.8
135.11713	0.5
145.10193	0.6
147.11676	0.4
167.10759	0.4
203.89722	0.4
207.44992	0.4
245.22510	0.4
257.19217	0.4
275.20139	1.6
286.73163	0.4
293.21225	0.5
313.27466	1.1
349.23682	0.7
398.15994	0.4
401.17813	0.7
402.18942	0.5
413.17914	0.7
414.18439	1.3
415.19324	3.5
416.19998	1.7
427.19266	0.6
428.20242	1.2
429.20935	8.0
430.21585	4.6
431.22861	0.9
443.22638	3.6
444.23560	6.4
445.24182	4.5
448.26108	0.5
455.18604	0.6
456.19293	0.7
457.19827	1.2
457.24271	1.7
458.24728	1.8
459.21637	2.5
459.25903	2.3
470.20706	0.6
471.21896	1.0
472.22534	3.5
473.23630	5.0
474.24588	1.8
485.23499	3.7
486.24103	2.1
487.24988	20.1
488.25400	1.3
489.23068	0.5
490.23999	0.5
503.24619	1.9
513.22778	0.7
517.26361	3.3
518.23383	0.8
545.25537	17.3
546.26105	3.5
573.25092	1.6
605.27606	100.0
606.28113	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	603.3868
Annotation	25-Anhydrocimigenol-3-O-beta-xyloside
Peak:m/z	Relative Intensity
55.05505	1.2
61.05445	0.4
69.07069	0.7
70.81021	0.5
70.81363	1.1
79.05507	2.0
81.07069	3.4
83.08599	0.7
85.39242	0.4
91.05484	1.9
92.05817	0.6
93.07040	2.9
94.07352	0.6
95.04947	0.8
95.08596	2.6
104.34770	0.4
105.07042	3.0
106.07397	0.7
107.08593	2.0
108.08940	0.5
109.10162	1.1
117.06976	1.1
119.08584	1.9
120.08924	0.7
121.10164	1.7
123.11671	0.6
131.08578	1.4
132.08920	0.5
133.10124	0.8
135.11707	0.7
137.09587	0.4
145.10155	1.9
146.10464	0.5
147.11713	1.1
149.13307	0.7
155.08588	0.6
157.10005	0.6
158.10463	0.5
159.11684	0.8
166.28954	0.5
175.11212	0.5
185.74606	0.5
190.91403	0.4
196.12006	0.5
197.13312	0.5
237.45207	0.5
251.12567	0.9
253.87733	0.4
269.13571	5.2
270.16776	0.5
289.14139	0.8
307.15329	0.7
325.16284	1.8
418.87421	0.5
427.25864	0.6
514.81348	0.5
557.42694	0.9
559.36481	2.2
585.37415	5.9
603.38641	100.0
604.39221	2.7
610.64075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.0
55.01867	6.6
55.05516	26.9
55.24327	1.8
57.03426	7.6
57.07082	12.9
59.41833	1.8
65.82397	1.7
67.05508	37.9
69.03423	4.5
69.07071	47.2
71.08620	8.6
71.51323	2.4
79.05496	34.8
81.03406	5.9
81.07059	48.9
83.04973	5.1
83.08616	21.3
85.10162	4.7
91.05482	23.7
93.07048	19.4
95.04943	7.5
95.08608	37.5
97.06534	100.0
97.10159	18.9
99.08105	11.5
103.05448	4.5
105.07040	18.6
107.04942	5.9
107.08596	14.1
109.06523	6.0
109.10168	15.2
111.11708	7.3
115.05434	2.5
117.07004	7.1
119.04981	3.1
119.08576	12.7
121.06509	14.0
121.10157	11.0
122.06905	2.0
123.11697	6.1
125.13292	2.0
129.06956	2.5
129.50914	1.9
131.08556	6.2
133.06493	4.7
133.10089	9.0
135.08015	6.1
135.11646	4.2
136.04196	2.0
137.09552	2.2
137.13237	2.9
143.08504	2.7
145.06419	2.4
145.10139	3.8
147.04402	6.6
147.08046	4.1
147.11687	5.2
149.05994	23.2
149.09610	2.1
149.13297	2.8
151.07516	2.8
153.05484	23.1
159.11717	3.9
161.09668	2.0
163.07561	3.0
165.09193	2.0
166.06270	4.0
171.11697	2.1
173.09654	3.1
177.09094	16.8
179.07018	21.6
181.08598	28.7
187.07449	2.4
191.07025	18.0
201.09000	4.1
203.10822	2.0
205.08624	7.0
205.12155	2.5
223.13336	2.8
231.10344	2.0
233.11732	59.3
237.22246	4.1
251.12782	6.4
259.13373	4.5
273.18494	3.3
273.25726	6.4
275.19910	5.5
276.61554	2.0
277.14352	30.2
291.19574	13.3
291.26736	11.2
295.15433	16.8
297.17084	2.8
298.71054	2.0
307.26285	2.8
311.25964	2.4
313.27252	2.7
347.21854	2.0
349.23544	2.4
505.38791	14.1
530.72845	2.3
603.45801	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	604.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01854	0.6
55.05505	1.1
57.03439	0.4
61.02921	0.4
62.06084	0.7
67.05498	1.7
69.03439	1.9
69.07064	1.2
70.06585	1.1
70.56466	0.4
70.56795	0.8
71.05003	0.5
71.08643	4.5
72.08144	1.3
73.02914	0.4
79.05485	1.2
81.03400	1.1
81.07059	4.0
83.04987	0.6
83.08598	0.4
84.08142	0.9
85.02898	2.5
86.06070	4.3
87.04496	0.5
90.91645	0.3
91.05476	1.3
93.07011	0.9
95.04958	0.6
95.07372	0.4
95.08611	1.6
96.08136	1.3
97.02884	1.4
97.06541	1.0
98.06046	0.6
98.09718	2.2
99.04467	0.3
99.08103	2.3
105.07019	1.1
107.08588	1.1
108.08111	1.4
109.02872	0.6
109.06562	0.6
110.09718	0.5
116.10741	15.2
119.08578	1.5
120.92682	0.3
121.10139	0.6
122.09673	1.3
122.92203	0.3
123.11713	1.0
126.09167	0.4
127.03944	0.7
129.07011	0.4
133.10159	0.5
136.11197	0.6
140.10695	0.9
143.10686	2.1
145.54118	0.4
147.11707	4.5
149.09691	0.4
154.15906	2.4
155.97319	0.4
157.10156	0.9
165.12753	2.2
166.15947	2.1
168.17465	0.6
175.11172	1.0
178.15930	1.3
178.62556	0.3
183.13844	0.6
193.12250	1.7
196.16977	6.4
211.13324	1.6
214.18037	100.0
215.18452	0.9
229.14381	4.9
299.64615	0.3
301.70422	0.3
308.82501	0.3
314.98737	0.3
326.23141	0.3
344.24338	2.5
362.56125	0.4
376.23331	18.0
410.04727	0.3
442.31653	5.3
506.29739	0.5
604.37024	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	602.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99098	1.2
53.03944	2.4
55.01861	2.9
55.05515	10.0
57.07066	3.1
58.95414	1.2
59.96552	1.4
61.83594	1.6
66.04715	6.5
67.05511	7.8
69.03410	2.5
69.07066	11.6
71.08638	3.2
71.17857	2.5
79.05495	15.9
79.65333	1.3
81.03416	1.7
81.07055	13.0
82.82273	1.3
83.08621	7.8
84.08944	1.9
91.05479	4.4
93.07058	6.9
94.04194	18.8
95.04960	4.9
95.08598	5.8
97.06534	1.9
97.10175	5.4
105.03390	2.4
105.07071	2.8
107.04941	2.5
107.08591	4.7
109.06528	42.4
109.10183	4.5
117.07012	1.7
119.08596	2.5
121.10133	3.3
131.08543	2.7
133.02817	2.5
133.10109	4.1
135.11682	1.7
137.05981	100.0
151.03912	2.6
154.06206	1.6
165.05476	29.8
169.36308	1.3
172.24524	1.4
179.03510	2.0
182.05763	4.4
183.06467	2.1
193.04970	36.3
197.08098	27.0
211.06068	3.2
223.13297	2.7
225.07579	99.0
237.22133	3.6
238.22493	2.5
243.08705	1.7
273.18420	1.6
274.19086	1.7
291.19565	10.3
292.19962	9.9
356.21817	1.5
602.44940	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.3
51.59473	1.2
53.03944	5.4
55.01870	4.2
55.05513	75.5
57.21763	1.2
65.03937	5.4
67.05511	6.9
69.03415	3.7
69.07077	1.9
69.35291	11.6
71.04990	2.7
75.21084	1.3
79.05499	16.5
81.07059	7.3
83.04984	100.0
85.02924	2.2
85.06525	1.4
91.05479	29.0
92.20144	1.4
92.32686	1.4
93.03411	3.3
93.07052	7.9
93.99761	1.5
95.04958	7.3
95.08617	2.1
97.06541	2.6
99.04462	13.7
103.05472	6.1
105.03387	1.5
105.07041	26.0
107.04953	6.8
107.08650	1.8
108.17561	1.6
109.02900	3.4
109.06532	4.2
115.05450	12.8
116.06251	2.1
117.07030	15.6
119.04977	3.2
119.08576	9.6
119.54984	1.3
121.02868	3.5
121.06516	6.7
123.04411	3.0
128.06230	18.4
129.06065	2.1
129.07013	21.0
131.04924	5.9
131.08574	13.4
133.06485	6.2
133.10173	3.5
135.04413	5.1
135.08057	2.2
137.06010	2.9
141.06992	20.6
142.07761	8.5
143.08563	19.8
145.06465	12.5
145.10136	5.7
147.04372	1.6
147.08066	10.2
149.05975	3.2
149.09578	1.4
151.03960	1.5
152.06197	3.2
153.06985	16.0
154.07780	20.1
155.08574	18.5
156.09361	3.2
156.75624	1.5
157.06473	7.8
157.10149	4.9
158.07254	5.0
159.04402	5.9
159.08031	11.2
159.11693	3.1
161.05983	6.4
163.03905	1.7
163.07510	2.0
165.06998	16.1
166.07777	8.9
167.08606	11.5
169.06544	8.2
169.10143	26.2
170.07256	2.9
171.08069	10.7
171.11742	2.9
172.08771	2.3
173.06018	9.9
173.09589	6.8
175.07611	6.9
177.09102	1.9
178.07773	6.8
179.08589	15.4
180.09396	2.4
181.06493	4.4
181.10114	10.0
182.07343	8.7
183.08026	8.5
183.11685	2.8
184.08711	1.8
185.05946	2.8
185.09602	8.4
187.07550	5.4
187.11154	7.2
189.05467	2.8
189.06984	2.7
189.08975	2.0
191.08560	4.9
192.09300	4.3
193.10127	4.7
194.07240	1.7
195.08113	5.9
195.11726	2.7
196.08958	1.7
197.06081	3.0
197.09619	37.5
199.07581	4.5
199.11240	7.0
201.05447	2.4
201.09164	5.5
202.07806	3.4
203.08578	3.9
204.09343	2.2
205.10136	6.6
207.08112	5.7
207.11676	4.1
209.09644	5.5
211.07555	4.6
211.11108	2.2
213.09181	10.6
215.08656	2.9
215.10608	14.4
216.09282	3.1
217.10190	4.6
218.07347	1.7
218.10924	3.0
219.08121	3.4
219.11728	5.0
220.08900	1.8
221.09621	5.2
222.10368	1.7
223.07532	5.4
223.11192	3.3
225.09129	28.6
225.12605	1.9
227.10690	5.3
229.10289	3.3
230.10863	2.4
231.11800	3.2
232.08859	2.6
233.09569	4.0
233.13367	2.6
235.07590	2.1
235.11169	6.5
237.09062	3.1
237.12614	2.7
239.10701	2.7
241.08391	3.2
242.10892	1.9
243.10132	34.4
245.09607	2.7
246.10478	1.9
247.11258	2.9
249.09244	2.0
251.10686	4.1
253.12392	3.3
254.10866	1.6
255.11809	2.0
258.10223	1.7
261.11029	3.1
263.10675	4.1
265.12381	2.1
269.13672	1.6
272.11835	2.0
273.09097	2.2
275.14160	1.5
285.12756	2.1
287.10800	1.8
287.14011	2.0
289.12369	1.9
293.12079	2.1
297.12857	1.6
301.12198	1.8
305.11972	2.1
313.12048	1.8
325.11914	1.9
325.15784	2.1
366.05933	1.6
369.18747	2.1
371.16382	1.9
379.17026	5.1
393.18320	2.8
394.96664	1.4
397.18048	4.7
399.15988	2.2
407.16293	2.8
409.14032	1.8
411.19623	2.9
415.18860	2.1
421.17947	3.3
425.17407	3.3
439.19006	5.3
443.18445	6.7
445.16245	3.1
449.17288	2.2
457.20074	5.3
467.18463	5.3
485.19742	7.8
503.20502	8.7
507.73572	1.8
557.25586	2.1
585.24652	3.9
603.26038	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14302	1.9
53.03939	9.6
55.01870	11.9
55.05507	4.7
55.36614	1.9
57.03425	6.3
61.02930	7.3
67.05498	4.4
68.99789	3.1
69.03433	35.1
69.07061	2.5
70.43079	7.5
71.04993	5.1
73.02924	10.1
79.05491	3.7
81.03429	33.8
81.07064	7.4
83.01331	1.9
83.04978	5.0
85.02910	100.0
87.00835	43.3
91.05482	4.5
93.07061	9.7
95.08615	7.5
97.02898	47.9
97.10162	2.9
99.04443	18.5
105.01869	67.0
105.07037	7.7
107.08589	6.3
109.02888	41.0
109.10188	5.7
117.01842	4.9
117.07027	2.5
119.08588	9.3
121.10162	8.5
126.05506	2.6
127.02975	4.0
127.03926	82.2
129.01837	4.3
131.08575	8.7
133.10130	6.6
135.11673	3.1
143.08505	2.5
145.04971	44.3
145.06033	4.3
145.10153	6.3
147.02937	3.2
147.11710	6.2
149.13312	2.4
159.02908	22.5
159.11707	8.9
161.13350	2.9
173.13301	8.5
177.12801	2.7
185.13258	3.6
191.14319	3.8
199.14740	2.9
213.04010	4.7
213.16374	3.1
227.07800	2.4
231.04999	23.1
248.07616	3.5
249.06100	8.0
255.21086	39.6
273.22144	42.3
283.20532	4.2
301.21664	23.1
319.22708	12.8
549.27167	11.3
602.42542	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	601.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.8
55.01867	6.3
55.05513	21.7
55.05745	4.0
56.73721	2.9
57.07078	17.0
62.17661	2.9
65.03942	9.3
67.05508	33.7
69.03439	16.2
69.07053	28.4
70.07426	3.3
71.04996	4.9
71.08636	6.8
77.03932	3.7
79.05496	48.3
80.05804	4.3
81.03418	21.9
81.07062	51.3
83.04989	18.8
83.08627	14.1
85.06544	8.6
87.04465	4.7
89.06047	6.1
91.05487	69.0
93.07050	85.0
94.07368	4.3
95.04976	23.7
95.08617	49.9
96.08918	3.8
97.06536	10.7
97.10165	3.0
102.78458	2.8
103.05476	7.8
105.04537	5.1
105.07034	100.0
106.07370	6.8
107.04985	7.5
107.08598	72.9
108.08924	3.3
109.06515	11.5
109.10162	37.7
111.08091	6.8
113.09637	7.7
115.05423	8.2
116.06277	3.5
117.07030	19.8
119.04948	2.9
119.08583	93.8
120.08929	5.1
120.17372	3.1
121.06514	14.1
121.10143	72.8
122.10493	4.3
123.08054	23.8
123.11696	11.5
124.08408	3.8
125.06024	4.3
125.09627	17.5
128.06233	11.8
129.07036	21.9
130.07808	7.0
131.08583	49.0
132.08899	8.2
133.06505	8.4
133.07538	3.4
133.08643	4.5
133.09048	3.6
133.10129	56.0
134.10484	4.0
135.08032	18.9
135.11690	21.2
137.09619	10.6
139.11188	7.6
141.07022	10.5
142.07756	24.7
143.08571	42.3
144.09183	11.7
145.06514	5.7
145.10135	68.6
146.10542	7.1
147.08084	15.9
147.11690	22.6
149.09637	18.5
149.13263	5.7
151.07520	10.1
151.11043	4.4
151.14809	3.2
153.06981	6.6
155.08575	21.4
155.10701	5.5
156.09370	21.1
157.10129	56.8
158.10722	11.7
159.08162	16.5
159.11710	42.5
160.05261	4.1
160.12090	7.2
161.06003	10.2
161.09601	19.0
161.13298	11.3
163.11171	8.2
165.07010	9.4
165.09126	15.7
167.08549	10.9
167.10706	43.9
168.09283	5.6
169.10144	24.9
170.10840	16.0
171.08134	5.1
171.11685	40.1
172.12177	6.3
173.06013	5.4
173.09621	7.8
173.13263	25.6
175.11208	10.8
175.14845	12.6
176.11516	4.1
177.09085	3.4
177.12744	3.3
179.08575	10.7
180.09302	7.0
181.10133	16.5
181.12303	6.3
182.10884	10.8
183.11714	29.0
184.12146	8.6
185.09554	6.8
185.13303	22.7
186.13853	4.1
187.11217	7.1
187.14749	7.1
189.12753	8.8
191.14328	5.7
192.09283	4.3
193.10100	13.8
194.10889	12.7
195.11688	24.2
196.12288	7.8
197.13309	25.8
199.11208	5.6
199.14859	13.2
200.15295	4.8
201.12810	3.6
201.16360	7.6
203.14357	9.8
204.14664	3.9
205.10213	3.7
206.10826	3.1
207.11658	14.8
207.13695	3.8
208.12381	7.2
209.13307	25.2
209.15182	4.8
210.13632	6.6
211.11235	4.1
211.14848	13.1
213.12810	6.4
213.16327	4.4
215.14346	9.4
217.15794	5.9
219.11702	6.2
220.12482	3.9
221.13202	17.1
221.15404	35.9
222.13867	4.0
222.15805	5.8
223.14830	13.8
224.15219	3.7
225.12886	5.3
225.16409	10.7
227.14375	5.2
229.21931	3.0
232.12392	4.2
233.13177	10.2
233.15430	25.0
234.13905	5.4
234.16031	4.4
235.14760	11.8
237.16379	8.8
239.17899	5.0
243.13858	4.3
245.13254	5.4
249.16339	6.1
251.17892	8.6
253.19650	3.1
255.17427	10.6
257.13348	3.4
259.14810	4.8
260.15555	3.5
261.16165	3.9
263.18048	8.7
264.18600	4.3
265.19531	7.1
269.18967	8.2
271.13400	13.1
273.18686	5.3
277.19333	4.5
281.18958	4.3
289.14188	5.0
301.21661	3.3
313.27393	7.6
350.82587	3.5
491.34781	5.2
502.35159	3.2
565.39850	4.3
583.41339	9.0
601.41956	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	601.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38707	1.4
55.05505	7.6
57.07079	10.2
59.04992	3.4
61.25567	1.5
67.05511	17.6
69.03431	10.5
69.07079	9.1
69.07368	1.5
69.20028	2.9
69.20435	14.6
72.61530	1.6
79.05499	19.9
81.03415	1.7
81.07067	18.8
82.07411	2.0
83.04980	5.7
83.08585	5.0
85.06533	4.2
91.04982	2.4
91.05489	27.8
93.07051	38.8
93.37123	1.5
94.28226	1.6
95.04956	6.4
95.08613	25.3
97.06525	5.5
97.10118	2.1
103.05444	2.4
105.07040	44.3
106.07362	1.7
107.04960	2.1
107.08602	24.4
109.06533	8.6
109.10150	13.0
111.08108	4.3
115.05460	2.3
115.56911	1.8
117.07026	12.4
119.08594	47.6
120.08876	1.8
121.06561	4.2
121.10149	25.7
122.10491	1.7
122.93606	1.5
123.08065	17.4
123.11703	3.1
125.05995	2.8
125.09652	2.4
128.06235	4.0
129.07018	8.1
130.07785	3.6
131.08560	17.0
133.06514	2.7
133.08586	2.0
133.10143	23.7
135.08072	12.1
135.11740	7.5
137.09613	17.5
141.06995	3.9
142.07848	7.9
143.08582	13.1
144.09265	2.9
145.10133	30.5
146.10466	2.5
147.08061	25.4
147.11714	9.4
148.08643	1.7
149.09634	5.0
149.13219	2.6
151.07547	10.7
151.11089	2.2
153.09097	1.8
155.08667	7.6
156.09286	5.8
157.10161	21.2
158.10663	3.6
159.08069	4.4
159.11700	18.1
160.12050	2.2
161.09616	3.6
161.13295	7.8
163.11237	8.8
165.07011	2.8
165.09123	51.8
166.09447	2.3
167.08554	4.0
168.09256	2.7
169.10136	12.9
170.10805	5.4
171.11707	14.1
172.12279	2.4
173.09624	4.4
173.13313	7.4
175.11125	4.0
175.14809	4.7
177.12767	3.7
179.08565	4.4
180.01944	1.7
180.09235	1.7
181.10126	5.5
181.12245	7.8
182.10941	3.3
183.08076	1.6
183.11726	10.6
185.13243	7.7
187.14818	7.0
189.12790	3.7
191.14326	2.7
193.10217	3.1
193.12277	3.3
194.10916	2.9
195.11665	7.5
196.12300	2.2
197.13260	9.5
198.13684	2.0
199.11137	2.4
199.14822	5.4
201.12781	2.7
203.14342	19.4
204.74756	1.7
206.10870	2.5
207.11629	5.6
207.13788	7.0
207.91719	1.7
208.12390	2.1
208.14236	1.7
209.13217	10.2
209.15231	3.3
211.11095	2.3
211.14857	5.6
213.16318	1.6
215.14288	2.1
219.17461	1.6
221.13454	4.9
221.15373	100.0
222.15746	6.1
223.14891	4.8
227.14310	2.7
235.14743	3.5
236.15431	1.8
237.12770	2.0
237.16458	2.9
241.15771	2.0
247.14819	2.2
247.17061	2.8
263.17871	1.9
265.19516	1.9
287.19974	4.7
289.17978	6.8
299.20050	4.9
300.20587	2.2
301.21503	2.4
325.21390	1.8
338.21976	1.8
352.24008	7.5
353.24268	7.6
365.24896	2.4
366.25076	2.4
367.26318	2.6
380.26550	1.6
464.32217	1.8
473.33493	1.8
491.34985	7.0
508.34933	2.2
509.36136	5.2
513.25275	2.1
521.35931	12.6
523.23383	2.8
583.41583	9.0
601.26215	5.3
601.42499	37.8
602.42828	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.4
52.32821	1.1
53.03936	2.0
55.05514	9.7
57.07081	9.5
59.04995	1.6
59.91004	1.1
64.27836	1.2
65.03936	1.6
67.05510	16.4
69.03426	10.8
69.07062	7.5
69.19410	11.1
71.04995	1.6
72.27502	1.2
77.03925	1.4
79.05495	16.0
81.07059	19.5
83.04972	4.2
83.08607	4.8
85.06535	3.3
89.45963	1.4
91.05481	25.7
93.06484	2.1
93.07050	37.8
95.04989	7.4
95.05479	1.3
95.08059	2.2
95.08611	26.0
97.06516	5.2
98.20671	2.1
103.05450	2.5
105.04482	1.9
105.07038	38.1
106.07329	1.8
107.04948	2.4
107.08599	21.4
108.08891	1.3
109.06548	8.2
109.10139	12.6
111.08062	2.8
115.05459	1.6
117.07030	9.6
119.04913	1.4
119.08589	40.2
120.08910	3.2
121.06512	7.1
121.10148	21.7
123.08087	17.4
123.11706	3.3
125.05954	3.0
125.09648	1.8
128.06204	5.4
129.07031	8.1
130.07773	4.2
131.08566	18.0
132.09077	1.8
133.06517	2.8
133.10130	24.2
135.08044	10.8
135.11676	6.1
136.12080	1.2
137.05963	2.1
137.09624	14.4
141.06975	5.0
142.07811	7.2
143.08568	12.7
144.09280	5.6
145.06516	1.7
145.10136	29.3
146.10506	2.3
147.06955	1.9
147.08060	24.2
147.11707	10.1
149.09628	6.0
151.07559	12.6
151.11189	1.8
153.09094	1.9
153.68570	1.3
155.08604	6.6
155.10661	1.6
156.09364	6.2
157.10118	22.1
158.10719	2.6
159.08057	3.9
159.11702	16.7
160.08763	1.6
160.12135	1.6
160.44743	1.3
161.09628	6.6
161.13268	6.3
162.10120	1.3
163.11174	7.3
165.07030	2.6
165.09120	48.3
166.09456	3.6
167.08614	2.9
168.09355	3.0
169.10158	10.2
170.10852	3.7
171.11722	14.2
172.12149	2.8
173.09605	2.8
173.13258	7.9
174.10178	1.3
175.11145	3.6
175.14795	5.1
177.09218	1.4
177.12724	1.7
179.08470	3.2
180.09274	1.7
181.10081	5.4
181.12233	7.9
182.10896	4.4
183.11668	10.1
184.12086	1.8
185.13199	8.5
187.11240	2.5
187.14812	3.0
189.12814	6.1
190.13260	1.2
191.14204	2.6
193.10130	4.6
193.12152	2.0
194.10860	4.8
195.11685	7.4
195.13834	1.7
196.12267	2.8
197.09560	1.3
197.13289	6.0
198.13545	1.5
199.11176	1.9
199.14827	2.9
201.12747	1.7
203.14302	17.8
206.10802	2.1
207.11682	4.8
207.13821	6.1
208.12276	2.2
209.13342	6.1
209.15088	2.2
210.13570	1.6
211.14803	3.7
213.12834	1.2
213.16307	3.2
215.14339	2.6
221.13400	5.1
221.15366	100.0
222.13731	1.6
222.15666	4.8
223.14816	4.6
225.12679	1.6
225.16234	2.8
227.14383	1.8
233.13222	2.5
233.15364	2.3
234.16075	2.0
235.14732	3.2
237.12692	1.9
237.16458	3.0
239.14351	1.4
239.17899	1.7
241.15814	1.6
247.14667	1.7
247.17026	3.0
249.16351	1.4
253.15872	2.0
263.17667	1.4
286.19183	2.2
287.20001	4.8
289.17911	2.3
299.20050	3.8
300.20609	2.7
301.21341	1.6
313.21490	1.7
325.21582	1.8
339.23117	1.6
352.23871	4.0
353.24228	4.9
366.25247	2.2
367.26401	2.7
378.25327	1.5
434.22568	1.3
459.34216	1.3
491.35330	7.8
503.35364	1.9
509.35922	4.9
521.35919	11.6
583.41528	10.2
601.34308	2.0
601.42706	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	601.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.1
55.05519	17.5
56.74347	2.8
57.07080	13.5
59.04985	6.7
61.44535	2.6
63.03142	2.4
63.34523	2.8
65.03939	3.7
67.05507	20.0
69.03421	8.9
69.07076	17.1
69.12368	2.7
71.08635	4.2
72.23095	2.3
79.05521	16.5
81.07059	32.1
82.07365	3.9
83.04979	8.2
83.08590	7.8
85.06548	3.8
91.05484	32.9
91.61915	2.4
92.05808	3.3
92.97003	2.6
93.07046	50.3
95.04969	15.5
95.08616	29.5
96.08917	3.2
97.06524	7.0
98.20703	5.0
105.06331	2.7
105.07037	50.8
106.07372	4.3
107.04961	4.0
107.08608	32.6
109.06515	16.6
109.10156	18.7
110.10451	3.8
111.08079	4.5
115.05476	3.1
117.07018	15.9
119.07822	3.5
119.08592	51.5
120.08892	6.4
121.06561	5.9
121.10147	32.6
122.07315	2.5
123.08070	20.8
125.05991	7.4
128.06175	7.1
129.06963	9.8
130.07780	4.8
131.08580	21.9
132.08884	5.2
133.06505	3.8
133.08636	2.8
133.10156	28.4
134.10463	4.7
135.08072	16.7
135.11694	12.2
137.09647	14.1
141.06976	8.2
142.07779	9.1
143.08594	23.2
144.09233	4.8
145.10139	38.8
146.10487	5.8
147.08054	29.0
147.11682	11.3
148.08418	4.8
149.09599	11.2
151.07536	10.2
153.05547	2.7
155.08498	6.3
156.09273	9.0
157.10153	28.6
158.10803	2.9
159.11702	23.5
160.12053	5.5
161.09669	8.7
161.13243	5.4
163.11179	11.6
164.11494	4.9
165.09109	48.6
166.09471	5.5
167.08553	5.2
168.09337	3.2
169.10127	14.9
170.10771	4.8
171.11679	13.2
172.12311	4.8
173.09581	8.4
173.13235	8.0
175.11232	9.4
175.14807	8.9
176.11455	4.3
177.09070	3.0
179.08578	3.1
181.10129	7.4
181.12241	13.5
182.10597	3.1
182.12546	4.5
183.11761	15.4
184.12119	5.0
185.09531	3.6
185.13226	11.2
187.11153	5.4
187.14909	4.4
188.11595	3.6
189.12825	4.7
190.13367	7.8
191.14130	4.3
193.10194	5.7
193.12123	6.7
195.11652	10.4
195.13686	2.8
196.12433	3.7
197.13197	10.5
199.11148	4.4
199.14867	6.2
201.12630	5.5
201.16365	3.2
203.14296	20.2
204.14798	6.6
206.10951	4.1
207.11760	5.5
207.13820	9.2
208.14429	5.2
209.13190	8.2
209.15233	5.7
210.13911	2.9
211.14798	7.6
213.12743	4.4
213.16173	4.5
216.14761	3.3
221.13464	5.4
221.15381	100.0
222.13896	3.8
222.15746	20.0
223.14835	7.7
224.15146	4.0
225.12802	3.1
225.16310	6.3
228.33644	2.6
229.58789	3.0
231.13788	3.9
234.16240	4.1
235.16615	7.4
236.15530	3.3
247.14674	3.1
247.16908	12.5
248.17322	7.4
259.17023	4.8
270.19055	3.0
274.19116	4.6
286.19229	4.2
287.20123	6.4
288.20389	3.6
299.19864	4.4
300.20575	7.1
301.21478	4.1
312.20905	5.1
313.21262	7.4
325.21454	5.1
326.21988	5.1
328.23569	2.7
340.23843	4.7
341.24503	4.6
352.24048	9.0
353.24274	12.1
366.25259	6.1
367.25989	3.6
369.20523	3.2
370.20914	3.6
371.21356	5.0
393.27747	5.3
420.29858	5.3
426.27542	3.6
427.20016	4.5
427.28360	3.6
428.28827	4.1
440.29169	8.7
441.29382	17.7
453.22110	3.3
491.35278	4.7
502.07632	3.3
509.35992	6.0
513.24750	4.5
514.24591	10.2
520.35339	3.3
521.35907	18.0
541.23511	14.4
583.41193	9.5
601.26123	26.9
601.42291	43.9
601.56366	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	600.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.0
54.75711	2.9
55.05518	22.3
57.07071	8.3
65.03939	4.1
67.05185	4.0
67.05513	31.3
69.03446	19.3
69.07072	24.1
69.20114	17.9
69.20521	5.6
71.04990	7.9
77.03941	3.6
79.05507	33.3
81.07066	44.2
83.04987	19.0
83.08191	2.7
83.08620	15.0
85.06538	9.4
85.68269	2.6
87.04487	3.2
91.04982	4.0
91.05496	52.2
93.07059	62.9
95.04976	25.3
95.08622	38.2
97.06514	15.6
103.05470	2.7
105.04527	4.0
105.07043	100.0
106.07835	5.0
107.04972	3.2
107.08604	70.2
109.06521	20.0
109.10164	34.2
111.08063	7.6
113.09608	3.9
115.05452	10.3
116.06232	3.0
117.07026	25.1
119.06033	3.3
119.08594	85.0
121.06498	12.0
121.10158	59.9
123.08079	34.0
123.11734	3.9
125.06017	4.3
125.09634	13.7
127.05431	3.3
128.06241	21.7
129.07030	29.2
130.07802	15.5
130.34186	2.7
131.08585	50.2
132.09384	3.9
133.06522	4.8
133.10150	56.6
135.08080	14.7
135.11768	14.9
137.09650	12.9
139.11137	4.6
141.07010	9.2
142.07802	31.5
143.08582	53.9
144.09337	14.4
145.06516	4.7
145.09059	4.8
145.10143	76.1
145.11310	4.3
146.10881	3.5
147.08067	21.1
147.11725	22.8
149.09637	18.4
149.13199	3.3
151.07555	9.2
151.11130	3.8
153.07018	8.3
154.07770	7.3
155.08568	27.2
155.10587	13.2
156.09377	30.3
157.10143	78.3
158.10960	13.4
159.08086	27.7
159.11711	50.3
160.08844	8.4
161.09657	15.3
161.13248	9.0
163.11177	10.3
165.07014	8.6
165.09152	13.4
166.07837	5.4
167.08571	13.4
167.10683	24.3
168.09325	7.9
169.10146	37.9
170.10927	9.9
171.11707	49.2
172.12450	10.6
173.09656	15.1
173.13297	21.3
175.11217	23.1
175.14883	7.1
177.09116	2.9
177.12733	4.5
179.08588	20.5
180.09306	7.2
181.10181	21.1
181.12206	6.7
182.10858	13.2
183.11736	31.5
184.12474	5.8
185.09676	6.6
185.13264	28.1
186.14082	4.0
187.11250	12.4
187.14839	11.2
189.12730	11.8
190.13553	6.6
191.14340	7.4
192.09326	5.9
193.10130	20.7
193.11964	4.8
194.10979	15.4
195.11719	38.0
196.12500	14.8
197.09633	6.3
197.13261	37.6
197.99290	2.9
199.11172	10.6
199.14803	16.6
201.12718	7.9
201.16441	3.6
203.08611	3.0
203.14357	18.8
205.10069	5.9
206.10904	8.8
207.11684	25.2
207.13731	6.8
208.12442	10.5
209.09657	2.7
209.13289	30.5
209.15193	5.2
210.10468	2.9
210.14044	6.2
211.11171	4.8
211.14862	23.4
213.12781	12.9
213.16403	8.3
215.14333	9.7
217.10162	6.3
218.10858	5.1
218.16624	4.7
219.11702	8.2
219.13754	4.8
220.12555	6.7
221.13268	18.0
221.15399	27.2
222.13889	4.6
223.14867	20.8
225.12737	6.5
225.16423	8.1
227.14388	11.2
229.15851	5.3
231.11710	5.9
233.13226	8.1
233.15372	23.5
234.13972	4.5
234.16113	6.1
235.14804	15.7
237.12692	4.1
237.16556	16.2
239.14330	4.8
239.17960	5.1
241.15927	5.2
243.11685	3.5
244.12346	3.7
245.13240	7.8
246.14026	3.5
246.16307	2.9
247.14812	12.2
247.17047	4.4
248.15659	3.3
249.16377	10.2
250.17024	3.2
251.17993	10.2
253.15842	6.4
253.19827	3.8
255.17448	40.2
259.14825	4.7
260.15393	3.9
261.16418	7.6
263.17947	7.9
265.15866	3.1
265.19510	4.6
267.17511	7.3
269.19025	6.9
270.19830	6.6
271.17068	5.7
271.20456	3.6
273.16199	6.4
273.18796	4.5
277.19400	6.4
279.17474	4.2
279.21024	3.1
281.18967	11.2
282.19571	3.5
283.20660	3.6
285.18451	4.9
286.19473	3.6
289.19434	6.4
294.19800	3.8
298.19540	3.2
299.20071	7.3
301.19199	3.1
303.19754	3.6
312.21097	2.9
317.22437	3.4
325.21939	3.8
335.23846	3.0
345.22015	3.5
347.23611	3.3
349.25232	2.9
352.24063	4.9
365.24695	8.0
383.25696	8.4
457.30991	4.0
520.35651	4.3
536.48444	3.0
567.38013	3.6
582.40509	3.7
600.41797	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	600.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.2
53.03943	3.7
55.05512	16.1
57.07079	17.0
59.05000	5.4
59.55465	2.5
65.03951	3.6
66.90403	2.2
67.05503	22.6
69.03436	13.6
69.07084	12.4
70.89878	4.6
70.90207	3.3
71.04984	4.9
77.03953	2.8
79.05500	30.5
79.54416	2.3
81.07065	36.9
83.04985	10.3
83.08624	13.3
85.06546	9.1
88.51620	2.4
89.06031	9.9
91.05494	47.8
93.07054	61.4
95.04972	16.3
95.08612	38.2
96.08918	2.8
97.06543	16.6
103.05474	4.1
105.04530	3.3
105.07039	92.7
106.07848	3.6
107.08602	44.8
108.66245	2.4
109.06528	19.2
109.10159	20.8
111.08077	7.4
113.09655	5.9
115.05426	3.8
117.07021	26.5
119.08592	89.6
120.09396	5.7
121.06522	11.1
121.10147	32.6
123.08077	30.3
123.11723	3.0
125.06014	11.4
125.09645	5.0
128.06239	11.9
129.07004	24.9
130.07800	9.6
131.08585	49.5
132.09341	6.2
133.06508	7.1
133.08606	5.1
133.10150	41.3
135.08073	22.8
135.11737	10.8
137.09596	15.5
139.07607	2.9
139.11195	7.7
141.07043	12.0
142.07800	23.0
143.08575	46.2
144.09410	15.1
145.06477	13.9
145.10136	74.7
146.07198	2.7
147.08063	36.6
147.11720	19.1
149.09666	14.5
150.10413	3.1
151.07556	15.2
151.11189	4.0
153.09134	2.5
155.08557	22.7
155.10721	7.8
156.09363	22.7
157.06499	2.4
157.10152	67.0
158.10928	14.9
159.08101	16.8
159.11719	49.9
160.08858	25.3
160.12466	4.0
161.09627	17.1
161.13321	11.8
163.11205	25.3
165.07002	4.9
165.09126	46.4
166.07773	4.2
167.08601	11.2
168.09378	10.6
169.10156	30.8
170.10997	12.3
171.08044	4.2
171.11725	39.7
172.08873	5.5
172.12514	7.4
173.09660	12.2
173.13284	19.6
175.11241	28.0
175.14888	4.5
177.09160	2.4
177.12732	3.2
178.09990	3.5
179.08591	10.3
179.10631	5.5
179.14345	2.8
180.09386	4.7
180.11426	5.5
181.10132	19.4
181.12225	22.2
182.11018	12.1
183.08171	3.3
183.11699	30.7
184.12566	4.7
185.09634	6.1
185.13272	16.5
186.10397	2.8
187.11256	12.1
187.14873	7.8
188.12199	2.9
189.12761	14.7
190.13544	10.0
191.08603	2.5
191.10666	5.0
191.14360	4.2
192.09346	3.3
193.10211	13.8
193.12286	16.3
194.10912	6.1
195.11752	25.2
195.13567	5.2
196.12541	7.9
197.09660	5.0
197.13292	24.8
198.14008	3.0
199.11209	11.4
199.14854	6.2
201.12808	16.0
203.10765	2.6
203.14334	23.5
206.10915	5.8
207.11708	13.7
207.13872	17.3
208.12502	6.6
208.14618	14.5
209.09651	3.0
209.13307	18.9
210.14075	5.9
211.11201	6.9
211.14803	15.1
212.11942	3.2
212.15544	3.2
213.12755	6.9
213.16406	2.9
214.13597	2.9
215.14359	5.1
216.15163	3.2
217.10161	2.5
219.11868	6.0
219.13634	12.1
220.12572	4.0
221.13303	12.5
221.15359	100.0
222.13962	4.3
222.15877	6.0
223.11270	6.4
223.14787	15.9
224.15530	5.4
225.12888	6.7
225.16405	8.1
227.14323	6.3
229.15941	2.8
231.13791	4.4
232.12360	3.4
233.13281	6.3
233.15392	4.9
234.16122	24.4
235.14801	8.9
237.12794	11.0
237.16447	5.3
239.14348	5.5
239.17993	3.5
241.15941	4.3
245.13226	4.2
247.14745	3.9
247.16980	25.8
248.17809	3.6
249.16431	5.6
251.18127	3.6
253.15952	5.8
255.17329	4.3
259.17151	6.2
261.16266	3.2
262.19373	2.9
263.18021	5.4
271.17017	6.1
273.18698	4.0
274.19403	8.9
279.17404	3.4
281.19037	8.6
285.18613	5.6
286.19333	11.5
287.20078	15.0
293.19205	3.0
294.18314	3.0
295.20547	2.8
297.18701	4.0
299.20184	19.5
300.20660	3.8
307.20776	3.7
309.18430	2.7
311.20157	7.9
312.20886	10.9
313.21579	6.1
323.20105	2.8
325.21661	16.2
326.22354	6.7
327.23248	3.5
337.21445	13.2
339.23358	3.6
340.23923	10.9
352.23990	90.5
353.24597	3.2
364.36337	2.6
365.24744	17.5
377.24799	3.4
400.25937	3.9
419.29517	4.5
420.30328	5.5
426.27600	3.0
427.28223	8.3
440.29156	16.5
505.32877	4.1
507.34637	17.0
508.35098	6.2
520.35535	89.4
521.36169	5.7
585.38782	2.9
600.41913	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60749	1.6
53.03944	6.0
53.15254	1.9
55.01871	2.6
55.05512	17.8
56.88840	1.7
57.03432	2.7
57.07077	13.0
59.04992	5.7
63.87138	1.9
64.90295	1.8
65.03938	4.1
65.18213	2.0
67.05510	25.5
69.03435	17.0
69.07069	15.9
70.06573	5.0
71.04995	3.8
71.52281	2.7
77.03896	1.9
79.05495	33.4
79.19955	1.9
81.07056	36.4
83.04990	13.8
83.08613	8.7
85.06543	7.0
89.06050	8.9
91.05484	54.2
93.07049	70.5
94.07325	1.8
95.04975	21.5
95.08614	32.6
97.06525	13.9
103.05452	6.1
105.07037	100.0
106.07840	3.2
106.09610	2.3
107.04932	3.2
107.08601	57.6
109.06528	26.9
109.10159	21.5
109.52843	2.0
111.04396	2.7
111.08103	4.5
113.09636	2.8
115.05435	8.7
116.06273	2.8
116.07092	7.1
116.81162	1.7
117.07022	26.7
118.07771	2.7
118.53490	1.9
119.04943	2.6
119.08589	82.3
120.09402	3.2
121.06513	19.7
121.10148	43.9
123.08076	32.0
123.11707	5.6
125.05981	6.6
125.09637	8.6
128.06223	14.6
129.07010	27.4
130.07788	8.6
131.08571	49.8
132.09325	3.4
133.06474	7.2
133.07533	1.9
133.08595	4.0
133.10139	42.4
134.10803	3.1
135.08060	28.1
135.11722	14.7
137.05946	2.9
137.09608	17.8
139.07544	4.0
139.11185	3.3
141.07028	9.6
142.07790	34.6
143.08565	58.0
144.09361	17.2
145.06483	5.4
145.10129	74.2
146.10773	2.5
147.08049	34.1
147.11703	15.2
148.08826	3.2
149.09619	21.9
151.07541	19.9
151.11165	2.3
153.07045	2.9
153.09155	2.5
154.07779	3.9
155.08548	21.5
155.10616	2.8
156.09363	23.9
157.06572	2.8
157.10132	79.5
158.07277	2.9
158.10965	9.8
159.08061	20.7
159.11697	41.6
160.08813	5.8
161.09624	26.0
161.13235	9.0
162.10345	3.6
163.07469	1.9
163.11180	17.5
165.07002	7.3
165.09116	42.4
166.07748	4.3
167.08620	13.1
167.10674	17.7
168.09392	9.2
168.10707	2.1
169.10150	26.1
170.10892	13.2
171.08054	4.3
171.11694	42.0
172.08861	3.6
172.12402	6.7
173.09598	15.8
173.13298	19.4
174.10388	2.8
175.11214	28.7
175.14833	7.8
177.09105	5.1
177.12782	4.9
179.08571	10.5
179.10825	4.1
180.09306	7.2
180.11430	2.6
181.08656	3.3
181.10153	17.4
181.12201	10.9
182.10873	10.6
183.11699	29.5
184.12483	4.8
185.09578	5.4
185.13235	21.6
186.10342	2.1
186.13937	2.6
187.11168	11.0
187.14825	7.6
189.12779	13.4
190.13571	10.7
191.10733	2.5
191.14299	5.9
192.09329	4.7
193.10281	12.9
193.12245	10.9
194.10960	9.2
195.11705	27.7
195.13510	3.4
196.12448	8.1
197.09558	6.7
197.11665	4.0
197.13281	19.0
198.10408	2.4
199.11179	8.3
199.14810	8.8
200.11909	3.6
201.12729	10.6
201.16397	1.9
203.14343	33.2
205.10127	4.7
205.12135	2.6
206.10915	6.4
207.11696	18.4
207.13818	15.9
208.12355	7.6
208.14543	8.4
209.09673	3.4
209.13307	24.6
209.15236	3.1
210.13951	7.5
211.11304	10.6
211.14774	13.3
212.11920	2.3
213.12715	14.0
213.16328	4.6
215.10777	3.9
215.14310	5.9
217.10225	3.2
217.16055	2.4
219.11626	5.3
219.13831	8.0
220.12465	5.6
221.13278	10.7
221.15347	75.8
222.13852	3.5
222.15785	4.2
223.11180	3.8
223.14796	14.8
224.15564	2.4
225.12688	9.0
225.16353	8.5
227.14311	7.0
229.15910	3.3
231.11696	2.8
232.12456	3.1
233.13237	5.2
233.15327	25.8
234.13847	4.2
234.16086	13.2
235.14893	11.1
235.16948	3.4
236.15443	3.7
237.12730	9.0
237.14864	29.2
238.13295	2.6
239.14352	4.3
239.17924	3.1
241.15862	3.9
243.17365	2.3
245.13246	2.6
247.14795	7.1
247.17009	9.6
248.13962	10.3
249.12708	4.0
249.16393	7.3
250.15703	4.4
251.14261	3.7
253.15875	8.7
253.19559	2.5
255.17468	24.1
257.13129	2.7
259.14545	2.6
259.16910	6.8
261.16357	9.4
263.14258	4.1
263.17838	7.0
265.15936	3.1
265.19492	2.7
267.17508	3.8
268.18207	2.7
269.18948	6.8
270.19662	6.8
271.17026	11.0
274.16782	2.3
274.19391	15.9
275.17749	3.5
277.16006	3.6
279.17432	6.3
281.19058	8.5
285.18500	6.5
286.19360	14.8
287.20303	11.7
291.17447	2.6
293.19162	2.1
294.19913	7.3
295.20529	5.1
297.18585	4.6
298.19250	4.4
299.20197	14.3
300.20834	3.7
303.19586	49.1
307.20578	3.3
309.18625	2.5
309.22046	3.5
311.20074	2.9
312.20764	8.1
313.21729	16.5
319.20432	5.1
322.22842	3.5
325.21692	20.2
337.21616	11.2
352.23984	90.1
353.24658	2.5
365.24811	18.6
377.24719	6.1
383.25748	4.6
391.26062	2.9
420.30038	5.0
454.31058	2.8
457.31485	2.7
487.32196	4.1
502.34286	10.4
503.35284	4.4
505.32990	7.8
507.34418	10.7
520.35535	40.1
567.38123	3.3
582.39874	2.7
585.39355	4.7
600.41473	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.1
55.05519	20.4
57.07074	13.3
59.04989	3.9
65.03928	5.4
67.05508	35.8
69.03416	14.0
69.07069	21.1
70.91285	7.1
71.04998	9.1
79.05488	37.1
81.07063	41.9
83.04969	15.4
83.08604	16.2
84.98924	4.4
85.06548	11.3
87.04476	6.2
89.06020	11.2
91.05490	52.8
93.07053	60.2
95.04951	18.6
95.08607	44.8
97.06528	21.3
97.10262	4.2
103.05455	9.1
105.07040	97.4
107.04942	4.6
107.08595	57.2
109.06529	20.8
109.10162	29.7
111.08073	12.8
113.09665	10.0
115.05469	7.3
117.07021	27.3
119.08580	100.0
121.06521	16.0
121.10136	39.6
121.78381	4.1
122.10420	3.6
123.08061	36.7
123.11668	6.8
125.09598	8.4
128.06204	9.5
128.12628	3.5
129.06995	27.0
130.07790	7.3
131.08575	43.9
132.09375	6.8
133.06514	5.1
133.08623	6.3
133.10121	46.4
135.08061	18.6
135.11700	14.6
137.09604	11.4
139.11182	6.9
141.06953	11.8
142.07816	30.1
143.08574	46.0
144.09290	10.9
145.06468	18.5
145.10132	77.6
147.08031	23.1
147.11674	20.4
149.09630	14.3
151.07564	8.9
151.11137	5.9
153.06868	6.2
154.07751	14.1
155.08603	25.4
155.10640	15.0
156.09334	32.2
157.10130	73.8
158.10889	17.0
159.08070	15.3
159.11708	49.9
160.08852	31.0
161.09618	12.9
161.13271	10.9
163.11168	12.2
165.07034	5.9
165.09148	20.7
166.09438	4.4
167.08556	18.3
168.09319	8.0
169.10126	35.2
170.10841	11.0
171.11668	49.9
172.08917	3.8
172.12476	7.3
173.09621	12.8
173.13272	19.9
175.11197	30.8
175.14728	5.7
177.09061	4.7
179.08565	17.6
180.09280	6.3
181.10155	27.5
181.12233	16.9
182.10997	3.8
183.11703	32.3
184.12375	6.5
185.09717	9.4
185.13249	24.7
186.10280	5.5
186.14011	4.7
187.11191	11.1
187.14848	6.5
189.12743	11.7
190.13533	8.3
191.14288	6.3
192.09381	4.3
193.10143	11.1
193.12231	9.2
194.10939	9.1
195.11711	25.6
196.12460	6.8
197.13246	28.8
198.14067	5.4
199.11212	7.6
199.14877	8.4
200.15746	4.6
201.12674	9.8
203.14313	12.7
207.11700	14.9
207.13692	7.2
208.12486	9.3
208.14584	7.7
209.13388	19.9
209.15106	4.5
211.13098	4.3
211.14767	19.0
212.12053	3.9
213.12704	10.7
213.16391	7.7
215.14310	3.6
217.12180	4.4
219.13670	8.0
221.13335	7.6
221.15350	53.0
222.13934	7.3
223.14735	22.0
225.12697	4.5
225.16281	13.2
228.18515	4.4
229.15836	5.0
233.13278	7.0
234.16165	14.1
235.14766	12.6
237.12720	5.3
237.16370	11.5
241.15916	7.4
247.14728	7.9
247.16945	16.3
249.16402	6.6
251.18040	6.2
253.15852	7.4
259.14612	5.3
263.17969	5.2
270.14731	3.9
273.18491	8.1
274.19223	7.0
275.18112	4.3
279.17389	4.7
285.18460	4.6
286.19235	7.9
299.20087	15.0
311.20178	6.3
312.20819	6.4
325.21600	7.2
337.21631	5.1
352.24023	40.6
365.24612	11.6
366.25427	5.0
372.56000	4.0
403.77921	5.0
440.29260	13.0
507.34665	7.3
508.35165	6.2
520.35913	26.9
600.41620	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	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	10.2
57.03439	2.6
57.07077	11.3
59.05013	2.9
64.12945	2.6
67.05508	14.1
69.03433	6.9
69.07065	8.3
70.75145	2.7
70.75486	7.1
71.08647	3.1
74.55838	2.6
79.05491	26.0
81.07073	26.6
83.04987	8.3
83.08630	3.6
85.06532	7.5
89.06028	8.4
91.05489	32.0
93.07055	36.2
95.04966	13.2
95.08627	25.7
96.75731	2.7
97.06553	5.9
101.26981	2.6
103.05465	3.3
105.07043	62.9
107.08612	30.2
109.06530	12.7
109.10196	12.7
111.08072	3.0
115.05454	3.5
117.07051	12.2
119.08591	69.5
120.09426	3.3
121.06509	6.6
121.10159	28.1
123.08086	18.7
125.06000	10.3
125.09701	4.9
128.06253	6.4
129.07036	14.5
130.07832	4.7
131.08574	29.9
132.09328	4.1
133.06496	6.2
133.08623	3.6
133.10153	28.7
134.10985	4.4
135.08067	19.7
135.11700	10.1
137.09599	14.0
139.07611	3.5
141.07018	4.6
142.07841	12.9
143.08571	20.8
144.09357	9.9
145.10147	48.4
147.08095	26.4
147.11745	12.7
149.09645	11.3
151.07607	11.4
153.07114	4.1
155.08607	11.0
155.10732	3.3
156.09323	10.0
157.10141	43.1
158.10869	9.4
159.08093	10.8
159.11726	28.5
161.09634	7.4
161.13237	7.1
163.11174	19.2
165.06982	3.7
165.09135	41.0
167.08571	5.6
169.10155	19.0
170.10989	4.5
171.11714	24.1
172.12440	3.0
173.09641	8.8
173.13336	14.5
175.11177	22.8
175.14867	4.5
177.09201	6.1
178.09900	3.8
179.08571	3.3
180.09422	4.9
181.10130	13.2
181.12244	21.2
182.10928	7.4
183.11688	16.3
185.09607	7.0
185.13298	9.6
187.11220	6.7
187.14905	3.5
189.12799	9.9
190.13568	9.1
191.10657	6.7
193.10295	5.9
193.12263	14.1
194.10910	4.1
195.11775	13.7
196.12534	4.7
197.09583	3.3
197.13286	19.8
199.11162	10.0
199.14885	6.4
201.05141	2.7
201.12772	10.5
203.10683	3.5
203.14333	18.1
204.14877	3.0
207.11920	6.0
207.13873	10.5
208.14597	10.2
209.13297	13.0
210.13962	3.0
211.11215	3.7
211.14859	13.4
213.12782	4.5
215.14410	6.1
219.13831	8.4
221.13388	8.2
221.15385	100.0
222.15784	8.0
223.11319	4.9
223.14874	7.9
225.16388	4.6
227.14275	7.6
229.15932	5.3
231.13751	3.9
233.15373	6.0
234.16173	21.1
235.14803	3.9
237.12840	5.9
237.16603	5.6
239.14349	3.4
239.17908	3.0
241.15915	4.1
245.15518	3.7
247.14758	4.9
247.16968	30.2
248.17882	3.0
253.15959	5.6
259.16992	6.6
260.17923	3.3
261.18851	3.3
265.15884	3.9
265.52496	2.9
269.15533	3.0
271.17093	4.5
274.19324	12.4
277.15878	3.6
281.59802	2.8
285.18439	4.5
286.19235	6.5
287.20163	14.3
297.18719	4.3
299.20081	18.4
311.20154	5.4
312.20834	9.7
313.21738	4.7
325.21603	12.0
337.21594	4.1
339.23090	5.6
340.23990	21.8
352.23917	24.7
357.29419	3.1
365.24738	6.1
379.26407	4.0
387.25259	5.2
400.26175	3.2
413.26694	5.0
419.29544	8.8
420.30179	4.9
425.27045	5.3
426.27628	5.0
427.28412	14.7
440.29263	44.5
445.49045	2.6
507.34299	4.3
508.35486	7.3
520.35590	31.4
521.36792	2.9
536.25592	2.9
582.41632	3.1
585.39557	5.7
600.41656	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.6
54.54167	2.8
55.01851	2.7
55.05517	19.0
55.05762	3.2
57.07076	13.0
59.04998	3.6
59.88973	2.3
65.03947	3.1
67.05508	26.9
69.03447	12.1
69.07066	13.0
69.92126	9.2
71.04973	6.3
79.05489	23.1
81.07063	30.3
82.07349	3.4
83.04958	11.4
83.08619	12.2
85.06527	10.3
89.06017	7.7
91.04914	2.8
91.05484	46.5
93.06487	3.0
93.07047	49.3
94.07347	2.5
95.04966	13.7
95.08045	3.3
95.08606	27.9
97.06531	18.9
105.04531	2.9
105.07034	76.9
107.04965	4.3
107.08589	40.4
109.06513	15.2
109.10157	20.2
111.08063	7.0
113.09635	4.9
115.05457	7.6
117.07011	21.9
119.08588	74.1
120.09007	2.3
121.06486	8.4
121.10162	30.9
122.07216	2.6
123.08076	30.2
123.11677	3.5
125.05962	4.9
125.09589	6.9
128.06236	7.6
129.07016	21.2
130.07747	7.1
131.08566	35.3
132.09343	4.8
132.10240	2.5
133.06496	4.0
133.07649	3.1
133.08600	5.2
133.10132	33.1
134.10501	2.4
135.08063	24.1
135.11674	9.6
136.08852	2.4
137.09625	15.9
139.11189	7.6
141.06989	8.6
142.07803	19.6
143.08571	40.2
144.09354	11.2
145.06487	13.0
145.10127	62.3
146.10695	3.0
147.08054	32.6
147.11736	15.0
149.09650	13.6
151.07568	12.3
151.11185	2.8
153.07050	3.3
154.07716	3.4
155.08551	15.2
155.10658	10.4
156.09381	17.5
157.10136	55.7
158.10889	11.0
159.08060	14.8
159.11705	43.9
160.08824	37.0
160.12379	2.4
161.09581	12.6
161.13264	7.7
163.11163	20.1
165.07018	5.0
165.09125	43.1
165.12610	2.4
166.09473	3.4
167.08551	6.6
168.09358	7.2
169.10129	27.3
170.10867	10.3
171.08047	3.8
171.11678	32.3
172.12428	4.6
173.09610	9.4
173.13245	16.2
175.11182	23.4
175.14868	3.7
177.12764	2.9
179.08575	7.4
179.10616	2.3
179.14307	2.5
180.09325	2.5
180.11526	2.2
181.10136	17.3
181.12210	26.0
182.10884	7.4
183.11690	24.1
184.12404	5.8
185.09596	6.5
185.13222	17.3
187.11192	7.9
187.14830	6.7
189.12746	10.5
190.13499	8.7
191.10599	4.4
191.14362	4.6
193.10117	9.1
193.12286	12.1
194.10841	8.2
195.11734	20.3
195.13551	3.6
196.12448	9.3
197.13258	24.0
198.14034	4.7
199.11177	9.8
199.14793	9.2
201.12730	9.5
201.16191	2.7
203.14322	15.0
204.14679	3.0
206.10988	3.4
207.11659	12.0
207.13777	10.4
208.12418	6.2
208.14542	9.5
209.13322	19.5
209.15233	4.9
211.11172	4.1
211.14798	12.0
213.12766	6.5
213.16347	5.0
215.14377	5.8
217.12254	2.7
218.10878	2.7
219.11763	3.6
219.13820	7.8
220.12447	6.7
221.13242	12.3
221.15350	100.0
222.13826	3.1
222.15787	13.4
223.11256	3.9
223.14766	11.9
224.15511	2.7
225.12749	5.5
225.16335	8.2
227.14330	4.7
227.17993	2.7
229.12263	3.6
229.15762	4.1
231.11649	2.9
233.13177	8.0
233.15295	4.6
234.13965	2.6
234.16136	25.9
235.14825	6.1
236.15588	3.4
237.12764	5.8
237.16347	8.1
239.14314	4.6
239.17860	3.9
241.15958	3.0
243.13908	3.5
245.15529	3.8
247.14671	5.1
247.16963	23.7
249.16406	5.3
251.14334	3.2
251.17937	4.9
253.15688	2.8
255.17392	3.2
257.15683	2.4
257.18570	2.6
259.16907	5.8
261.16138	4.0
263.17908	4.8
271.17090	4.9
273.18515	3.2
274.19281	9.7
277.19543	4.2
279.17484	3.0
281.18979	4.0
283.26337	5.0
285.18469	4.9
286.19180	11.2
287.20151	11.4
294.19373	2.2
299.20026	19.7
300.20642	8.5
309.18579	2.5
309.22049	2.8
311.19931	7.2
312.20746	9.4
313.21628	7.7
325.21588	10.2
326.22333	4.0
327.23242	4.3
337.21591	7.2
339.23114	5.0
340.23868	8.8
352.23984	45.5
353.24789	2.6
365.24921	14.6
366.25497	3.2
377.24554	5.3
379.26370	3.2
391.26111	4.1
402.27972	2.6
413.26340	3.8
419.29404	8.6
420.29993	4.7
425.26642	5.1
427.28522	5.0
440.29269	32.7
507.34741	5.3
508.35330	6.0
520.35516	37.1
585.38910	3.5
600.41473	42.7
600.56000	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12521	2.6
53.03928	5.3
55.05516	14.2
57.07069	11.0
59.04989	2.8
65.03936	3.4
67.05228	2.7
67.05511	29.2
68.16708	2.8
69.02425	2.7
69.03434	13.2
69.07064	12.0
69.29057	14.8
69.29465	9.4
79.05494	26.7
81.03395	2.7
81.07066	37.4
83.04992	15.4
83.08612	7.8
85.06554	5.4
89.06018	5.1
91.05492	48.8
91.51040	2.7
93.07047	66.5
95.04974	23.3
95.08615	36.7
97.06565	6.5
103.05475	6.8
105.07030	75.4
106.07868	3.2
107.04949	7.0
107.08595	55.1
109.06510	16.8
109.10161	16.7
111.08075	6.1
115.05454	5.3
117.07043	18.2
119.08588	77.7
120.40020	2.8
121.06514	16.3
121.10138	43.0
122.07286	3.7
123.08075	28.3
123.11715	6.2
125.06009	6.3
125.09641	10.3
128.06218	11.3
129.07024	24.6
130.07784	7.2
131.08574	40.0
133.06532	5.5
133.08611	3.9
133.10153	39.7
135.08051	27.8
135.11717	12.9
136.08720	2.6
137.09612	14.4
139.07484	3.3
139.11205	4.1
141.07013	10.9
142.07790	29.2
143.08571	42.9
144.09311	12.0
145.10133	56.8
147.08043	35.0
147.11685	15.0
149.09608	16.9
151.07555	19.0
155.08524	20.7
156.09357	15.9
157.10141	67.7
158.10909	11.5
159.08041	17.6
159.11711	37.0
160.08861	4.8
161.09647	22.6
161.13242	8.4
163.11223	18.4
163.12363	3.0
165.06972	5.9
165.09122	41.1
167.08578	8.4
167.10696	12.3
168.09328	5.2
169.10129	24.8
170.10922	11.2
171.07996	3.8
171.11685	35.2
172.08907	3.3
172.12442	5.2
173.09636	12.8
173.13274	15.0
174.10361	4.3
175.11172	27.9
175.14801	7.6
177.12833	3.9
179.08571	10.1
179.10686	4.9
180.09294	5.0
180.11505	2.9
181.10095	12.4
181.12230	11.7
182.10956	10.0
183.11710	18.1
184.12430	4.4
185.09644	4.6
185.13310	18.0
187.11200	11.1
187.14790	5.1
189.12781	10.5
190.13483	13.4
191.10706	3.9
191.14273	6.6
192.09370	8.3
193.10077	9.9
193.12263	10.0
194.10913	9.2
195.11731	24.2
196.12552	6.4
197.09595	3.6
197.11705	5.2
197.13310	22.2
199.11229	7.7
199.14841	7.1
201.12804	6.6
203.14355	31.9
205.10165	4.0
206.10838	5.5
207.11702	12.1
207.13803	16.9
208.12398	8.7
208.14528	8.3
209.09685	3.6
209.13231	16.8
209.15114	5.2
210.14049	3.3
211.11234	3.7
211.14793	7.1
213.12738	12.3
213.16513	3.5
215.10725	4.3
215.14400	3.2
218.10988	3.2
219.11658	8.0
219.13860	9.1
220.12512	6.9
221.13254	14.8
221.15343	100.0
222.10104	3.1
222.13829	5.1
222.15767	4.7
223.14835	13.0
224.12070	4.5
225.12749	8.7
225.16394	5.7
227.14340	7.8
229.12199	3.8
231.11769	4.5
232.12357	3.6
232.52193	2.8
233.13278	9.6
233.15376	22.1
234.16096	11.5
235.14868	7.6
235.17027	2.9
237.12695	8.6
237.14679	34.2
239.14296	4.2
239.17972	5.0
245.13231	5.3
247.15007	5.2
247.16983	15.9
248.14157	12.1
249.16452	8.0
253.16063	5.7
255.17514	24.5
259.14734	4.3
259.17206	3.0
261.16367	6.4
263.17761	3.2
269.18982	3.0
270.19870	5.0
271.17041	6.0
274.19427	14.0
279.17593	6.0
281.18863	5.4
285.18497	8.5
286.19284	19.7
287.20038	9.0
294.19778	8.6
295.20587	5.6
297.18582	6.3
299.20010	10.1
300.20749	3.8
303.19580	57.0
309.22162	4.2
311.20279	3.7
312.21011	7.1
313.21579	12.9
319.20453	5.1
322.22897	4.3
325.21729	17.5
337.21683	10.5
352.23978	99.6
365.24710	20.4
376.04395	3.3
377.24887	6.4
419.29584	2.9
420.29907	4.9
457.30960	3.2
487.32004	3.9
502.34747	13.5
503.35107	6.6
505.33273	6.8
507.34592	12.5
508.35358	7.3
520.35553	44.6
582.40424	3.5
585.39020	5.4
600.41315	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	600.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.01863	4.7
55.05513	18.3
57.07065	12.7
59.05006	4.5
63.53020	3.2
67.05495	20.0
69.03417	11.6
69.07051	11.1
71.02417	3.4
71.02744	5.9
71.04971	4.9
79.05503	24.2
81.07066	38.0
83.04987	10.9
83.08612	10.5
85.06533	7.6
85.88934	4.0
89.06030	14.9
89.40192	4.6
91.05491	44.7
91.75500	3.0
93.07053	46.2
95.04948	14.2
95.08612	31.4
97.06525	14.5
98.09551	3.5
103.05474	3.9
105.07037	90.5
106.07872	4.2
106.88821	3.9
106.89526	3.5
107.08598	39.2
109.06544	18.7
109.10160	18.5
113.06051	4.1
115.05462	6.3
117.07024	20.6
118.19995	3.6
119.08584	77.0
121.06489	10.1
121.10152	38.1
123.08083	28.6
124.38483	3.6
125.05981	11.4
125.09638	6.0
128.06209	10.1
129.07010	21.6
130.07788	6.9
131.08569	41.8
131.80327	3.4
132.09305	6.0
133.06485	5.9
133.08598	7.1
133.10117	41.7
135.08063	28.6
135.11679	13.6
137.05934	5.0
137.09624	15.6
141.06908	9.0
142.07788	27.5
143.08568	43.4
144.09326	12.1
145.06450	5.2
145.09062	6.3
145.10132	74.8
146.07272	3.8
146.10651	5.5
147.08055	34.1
147.11682	14.7
149.09622	15.0
151.07532	14.3
153.07045	4.3
155.08577	18.9
156.09366	22.2
157.10133	62.7
158.10757	10.5
159.08067	15.0
159.11697	41.9
160.08858	5.0
161.09592	14.8
161.13252	9.4
163.11217	18.5
165.07024	5.0
165.09138	46.6
166.07803	4.2
166.09422	4.2
167.08534	7.8
169.10173	26.0
170.10858	11.0
171.11699	27.9
172.12375	8.2
173.09624	8.9
173.13228	15.4
175.11205	24.4
177.09131	3.4
177.11278	4.8
177.12753	4.4
179.08533	9.5
179.10675	4.1
181.10190	16.9
181.12248	21.4
182.10883	9.6
183.11702	24.2
184.12410	5.4
185.09621	4.4
185.13283	20.5
187.11185	9.5
187.14850	7.4
188.11801	3.6
189.12741	7.5
190.13524	9.1
192.09227	4.4
193.10149	11.9
193.12241	16.6
194.10902	7.8
195.11745	22.6
195.13536	4.4
196.12457	7.5
197.13283	25.1
199.11223	9.0
199.14807	12.3
201.12784	11.3
203.14287	21.4
206.10841	4.7
207.11697	13.0
207.13795	10.8
208.12492	5.9
208.14619	11.1
209.13365	18.0
211.11287	6.2
211.14810	15.0
213.12852	5.9
215.14293	7.0
216.15111	4.4
219.13766	13.6
221.13286	12.1
221.15352	100.0
222.15726	16.2
223.14804	12.8
224.15385	4.9
225.12740	7.5
225.16360	7.4
227.14285	5.5
229.15953	3.4
231.11545	4.2
233.13173	3.8
233.15395	6.2
234.14001	5.5
234.16118	31.3
236.15358	4.3
237.12825	8.3
237.16331	5.9
239.17772	4.4
241.15950	4.9
245.15387	6.1
247.14740	3.6
247.16867	18.0
247.48781	3.8
249.16277	5.2
257.15833	3.5
260.17871	4.6
261.16141	3.5
263.17957	6.6
271.17056	5.3
274.19308	8.1
285.18478	4.8
286.19333	5.7
287.20023	12.7
291.20853	5.4
299.20071	15.1
311.20001	6.0
312.20386	6.3
313.21683	7.0
325.21585	14.0
326.22162	4.7
337.21652	14.1
352.19897	6.4
352.24030	80.8
353.24539	4.9
365.24713	15.7
377.24725	5.3
391.26584	3.7
420.30148	5.6
430.01895	3.8
442.30942	4.6
454.30789	5.0
505.32578	4.3
507.34479	13.5
508.35251	13.5
513.52393	4.3
520.35516	82.4
585.38458	4.9
600.41498	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	599.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79999	1.4
53.03956	3.5
55.05517	9.4
57.07068	3.7
59.04991	4.7
65.03919	3.0
67.05508	11.4
69.03428	5.8
69.07072	15.8
69.15596	5.0
69.16018	10.8
79.05497	19.7
81.03415	1.4
81.07065	21.8
83.04974	5.5
83.08627	4.1
85.06549	3.5
90.24171	1.3
91.04970	2.6
91.05492	28.2
93.07047	51.7
95.04964	10.6
95.08617	20.6
97.06530	8.1
98.21543	3.2
103.05530	2.5
105.07039	46.1
107.04969	2.1
107.08583	21.3
109.06503	7.4
109.10155	11.5
111.08134	2.3
111.11727	5.4
115.05436	2.7
117.07013	8.1
119.04916	2.7
119.08581	34.8
119.09369	2.7
121.06525	6.0
121.10152	59.5
123.08070	16.6
123.11753	4.5
125.06015	2.2
125.09640	3.3
128.06232	5.6
129.07042	7.5
130.07813	3.6
131.08589	14.5
133.06520	3.9
133.10133	19.6
135.08080	7.5
135.11711	6.5
137.09683	8.1
139.11185	5.0
141.07005	3.9
141.97900	1.6
142.07817	10.0
143.08560	17.2
144.09285	2.2
145.06499	1.7
145.10124	25.2
146.07251	1.6
146.10515	1.5
147.08069	10.1
147.11726	7.8
149.09627	15.1
149.13219	2.2
151.07561	14.0
153.07072	1.7
153.09052	2.0
154.07733	1.5
155.08562	8.9
155.10701	2.3
156.09351	5.0
157.10153	22.9
158.10947	2.1
159.08052	7.8
159.11702	16.1
161.09659	6.5
161.13280	4.4
163.11212	5.3
165.07014	2.9
165.09117	10.3
166.07748	1.5
167.08533	5.7
167.10687	100.0
168.09370	3.9
169.10136	13.8
170.10941	4.8
171.08035	2.9
171.11685	14.9
172.12436	1.8
173.09662	5.5
173.13269	9.6
175.11102	3.3
175.14877	5.3
177.09212	2.4
177.12733	1.6
179.08611	4.8
179.10835	1.8
180.09406	3.6
181.10130	7.1
181.12299	4.5
182.10948	4.9
183.11687	11.5
185.09674	4.6
185.13301	6.1
187.11229	4.0
187.14906	3.9
189.12782	4.9
191.14378	2.9
193.10191	7.1
194.10941	4.2
195.11731	11.2
196.12531	2.4
197.09659	2.5
197.13333	10.8
199.11227	4.6
199.14815	3.9
201.12767	3.9
201.16385	1.9
203.14313	8.0
205.10168	1.8
206.10983	2.5
207.11697	6.6
207.13857	5.0
208.12500	2.3
209.13275	12.1
209.15146	2.5
211.11212	1.8
211.14886	6.0
213.12843	3.3
213.16386	1.8
215.14413	3.9
219.11784	3.5
219.13820	3.1
220.12463	1.7
221.13292	6.2
221.15314	28.4
222.14009	1.7
223.14832	6.1
224.15492	1.8
225.12706	3.2
225.16484	3.9
227.14301	2.2
233.13246	2.9
233.15347	33.2
235.14874	3.3
237.16405	4.0
239.14439	2.8
239.17937	2.3
244.12689	1.9
245.13297	2.2
247.14879	3.2
247.17101	3.2
249.16492	3.4
251.14438	2.7
251.17876	4.6
257.13315	1.7
259.14841	2.9
263.18140	2.7
265.15942	2.1
267.17560	1.6
271.17255	2.2
273.18542	4.1
275.17999	2.0
281.19183	2.2
283.20676	2.0
286.19443	3.4
287.20160	4.5
293.19012	2.6
299.20142	7.2
311.20172	8.8
313.21741	2.7
325.21942	2.0
349.21698	1.9
351.23349	1.9
363.23026	2.0
365.24841	5.4
391.26492	5.2
419.29663	3.3
507.34747	4.1
563.38843	2.8
571.26007	3.3
581.23932	3.2
581.39948	11.6
599.26752	9.8
599.40985	76.2
600.41925	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	599.41
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38565	1.7
52.61747	1.8
53.03946	5.0
55.05511	9.7
57.07067	4.7
59.04991	3.1
64.78760	1.9
67.05522	15.5
69.03437	6.8
69.07078	20.2
70.75626	5.4
74.69157	1.9
79.05500	18.9
81.07070	19.8
83.04988	4.8
83.08621	6.5
85.06532	2.3
91.05490	29.1
93.07047	52.1
95.04974	13.6
95.08614	22.0
97.06561	7.0
103.05453	3.6
105.07043	36.4
107.08613	32.0
109.06533	7.9
109.10162	11.7
111.08092	2.6
111.11749	3.9
115.05499	3.1
117.07033	9.2
119.08584	43.2
119.09364	3.1
121.06539	6.7
121.10155	54.3
123.08078	16.5
123.11720	5.3
125.09628	2.7
128.06224	4.7
129.07014	7.9
131.08569	20.0
133.06544	4.2
133.10143	22.1
135.08110	8.8
135.11688	8.7
137.09644	6.1
139.11208	3.7
141.07030	3.5
142.07835	9.3
143.08575	18.1
143.49945	1.9
144.09378	4.9
145.10110	25.7
147.08052	11.2
147.11702	9.3
149.09634	20.4
151.07578	19.9
153.06952	2.9
155.08592	8.7
156.09370	5.8
157.10185	19.1
159.08066	10.0
159.11717	16.7
159.96106	2.0
161.09645	6.9
161.13338	5.4
163.11217	5.3
165.07039	2.7
165.09154	13.2
167.08531	6.8
167.10693	100.0
168.09384	2.6
169.10162	14.0
170.10880	4.8
171.08054	2.9
171.11728	14.3
173.09656	4.7
173.13297	11.0
175.11192	4.1
175.14786	5.1
179.08571	5.6
180.09361	2.5
181.10149	7.0
181.12271	7.2
182.10905	4.7
183.11774	12.7
185.09659	3.0
185.13339	10.1
187.11264	4.0
187.14853	4.0
189.12810	7.6
192.09367	2.6
193.10208	6.0
194.11105	2.5
195.11633	9.7
196.12430	3.6
197.13242	9.4
199.14830	4.2
201.12830	2.4
201.16420	2.3
203.14323	10.0
205.10272	2.5
206.10915	2.3
207.11797	6.8
207.13873	6.8
208.12445	2.8
209.13333	12.1
209.15254	3.7
211.14870	6.8
213.16368	3.8
215.14377	5.4
219.11713	2.0
221.13274	7.8
221.15445	29.1
223.11342	2.4
223.14890	6.9
225.12778	4.0
225.16524	3.1
231.11830	2.8
232.12469	3.1
233.13252	4.5
233.15369	26.9
235.14882	3.8
237.16362	2.7
239.18048	3.0
245.15556	2.1
246.14024	2.9
247.14842	4.0
247.17134	4.5
249.16455	4.7
251.18233	2.8
252.14816	2.1
253.15962	3.1
263.17975	3.4
265.19421	4.0
277.82385	2.5
281.19162	2.5
285.18732	3.3
289.39230	1.9
291.17517	2.0
299.20218	4.2
311.20242	4.1
350.90424	1.9
365.24988	2.6
373.25412	4.9
391.26328	2.5
417.60852	2.1
507.34616	2.7
525.34363	2.3
571.41858	2.5
581.39862	15.3
599.40991	85.1
599.50641	4.3
600.41083	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	599.4098
Annotation	4,4'-Dihydroxydiatoxanthin
Peak:m/z	Relative Intensity
53.03939	3.2
53.04209	0.8
55.01846	1.2
55.05515	6.9
57.07078	4.8
57.19114	0.9
59.05000	2.4
63.84306	1.1
67.05506	10.5
69.03426	3.9
69.07072	12.1
69.69430	6.1
71.05003	1.3
77.03921	1.1
79.05496	14.2
81.03383	1.1
81.07063	17.7
83.04966	5.1
83.08620	3.5
85.06543	2.8
91.05491	18.3
93.07051	37.6
93.07639	2.1
95.04987	4.6
95.08617	15.4
97.06533	7.2
103.05489	2.5
105.04564	1.2
105.07037	36.1
107.08607	16.8
109.06519	7.3
109.10173	8.8
111.08131	1.4
111.11734	3.0
113.09628	2.0
115.05469	2.9
117.07019	8.0
117.67583	1.0
119.04945	2.4
119.08586	28.8
121.06506	4.4
121.10153	57.6
123.08080	9.1
123.11743	4.2
125.06020	1.4
125.09629	2.1
128.06239	4.7
129.07002	6.6
130.07793	3.2
131.08566	13.5
133.06516	2.9
133.10149	14.6
135.08061	7.4
135.11678	5.0
137.09642	5.6
139.11221	3.6
141.07036	3.5
142.07809	7.3
143.08575	16.3
144.09390	3.9
145.03174	1.1
145.06458	1.9
145.10139	26.9
147.08040	7.2
147.11694	7.2
149.09631	12.1
149.13290	1.1
151.07579	9.4
151.11220	1.7
153.07053	2.1
154.07765	2.0
155.08531	6.7
155.10594	1.4
156.09348	5.5
157.10133	18.9
158.10924	1.5
159.08086	5.7
159.11676	11.6
161.09628	5.1
161.13309	2.5
161.34492	1.0
163.11194	4.8
165.07037	1.7
165.09132	9.4
167.08504	4.3
167.10689	100.0
168.09393	2.7
169.10139	10.6
170.10909	3.0
171.08057	1.6
171.11710	10.9
173.09645	4.2
173.13307	5.2
175.11252	3.1
175.14861	2.5
177.09094	1.3
177.12715	1.1
179.08635	3.3
180.09370	1.6
181.10118	6.6
181.12311	5.2
182.10959	5.4
183.11710	8.8
184.12326	1.6
185.09668	2.8
185.13237	5.8
187.11218	3.0
187.14836	3.3
189.12799	5.7
191.08449	1.3
191.10712	1.2
191.14349	2.4
192.09294	1.2
193.10219	4.8
193.11877	1.1
194.10942	3.7
195.11742	7.1
196.12479	2.9
197.13275	9.2
199.11246	3.4
199.14867	2.8
201.12758	2.2
201.16516	1.2
203.14369	7.3
206.11079	2.0
207.11731	5.1
207.13878	3.2
208.12482	1.7
209.13284	8.2
209.15240	1.8
211.11169	1.5
211.14838	3.2
213.12820	2.7
215.14354	4.2
219.11816	1.8
219.13785	2.3
220.12579	1.6
221.13286	5.6
221.15327	25.4
222.14035	1.3
223.14815	5.1
225.12912	3.2
225.16444	3.2
227.14313	1.0
231.11888	1.5
233.13229	2.8
233.15349	21.9
235.14801	4.1
235.16954	2.2
237.12854	2.0
237.16432	2.1
239.14337	1.3
239.18011	1.2
244.12543	1.0
245.13342	1.4
245.15570	1.1
247.14970	2.5
247.17043	3.1
249.12854	1.5
249.16357	1.5
251.18030	2.1
253.15831	1.2
259.14755	1.8
261.16522	1.9
263.18069	1.3
265.15833	1.4
265.19684	1.5
267.17389	0.9
269.18961	1.0
273.16092	1.3
273.18591	3.1
281.19131	1.3
283.14706	1.0
283.20700	1.7
286.19391	1.7
287.20145	3.0
293.19217	1.6
299.20114	6.3
307.20786	1.4
311.20197	6.7
313.21741	2.2
323.67654	1.0
325.21634	1.6
338.37143	1.0
351.23474	1.6
353.24481	1.5
361.25803	1.4
363.23145	1.4
365.24991	5.9
377.24722	1.3
379.26312	1.6
391.26306	3.3
419.29657	2.6
426.54688	1.1
507.34210	1.5
519.34412	1.9
543.34259	1.1
563.39325	1.2
581.40167	9.0
599.40942	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	599.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.1
57.07068	1.2
58.06585	0.9
67.05507	6.0
69.07076	3.2
69.20302	1.1
69.20702	6.1
79.05486	2.6
81.07066	7.0
83.04993	0.8
83.08622	1.3
91.05495	4.5
92.35106	0.6
93.07063	4.5
95.04972	0.9
95.08609	6.4
97.06558	1.0
105.07024	4.3
107.08607	3.3
108.96178	0.6
109.10183	2.3
111.08067	0.7
117.07026	1.0
119.08606	3.8
121.10139	3.6
123.08088	1.5
123.11701	1.3
125.09637	0.7
129.07005	0.7
131.08591	1.5
133.10167	2.4
135.08051	1.0
135.11751	1.0
137.09671	0.7
138.22375	0.7
142.07753	0.7
143.08612	1.5
145.10129	2.0
147.11685	0.8
157.10141	2.1
159.11690	1.3
165.09137	2.1
167.10739	0.7
169.10150	0.8
171.11729	1.7
173.13303	0.9
174.25967	0.8
181.10156	0.9
181.12180	0.9
182.10896	0.8
183.11845	0.9
185.13348	0.8
189.12665	1.0
216.24506	0.7
221.15363	3.2
233.15463	1.2
263.10159	0.7
319.21262	0.8
346.07846	0.8
506.55688	0.7
507.34839	1.8
581.40015	0.8
599.39276	100.0
599.49384	5.1
600.39795	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	599.2508
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
55.05514	2.6
57.07068	0.7
61.67051	0.7
67.05524	4.3
69.03420	1.7
69.07072	3.1
74.02153	0.7
79.05497	3.9
80.85739	0.7
81.07071	4.5
83.04993	1.8
83.08649	1.6
85.06532	1.3
91.05486	4.7
93.07065	7.7
95.04968	2.0
95.08615	4.0
95.48449	0.7
97.06535	0.7
103.05498	0.9
105.07051	8.4
107.08597	5.2
109.06567	2.3
109.10177	2.6
115.14022	0.7
117.07041	1.7
119.08594	8.7
121.06527	1.5
121.10159	9.3
123.08106	2.6
126.82569	0.8
128.06232	1.6
129.06990	1.1
130.07809	0.8
131.08609	3.1
133.10135	4.3
135.08109	2.3
135.11734	1.4
137.09648	1.8
139.11200	1.0
141.07121	1.5
142.07791	2.2
143.08586	3.4
144.09367	1.1
145.10133	5.9
147.08099	2.5
147.11737	1.4
149.09642	2.0
151.07574	3.5
155.08554	1.3
156.09395	0.8
157.10181	4.1
159.08034	1.6
159.09232	0.9
159.11723	2.5
161.09650	1.3
163.11276	1.1
165.06969	1.2
165.09171	4.0
167.08592	1.2
167.10699	11.5
169.10152	2.6
171.08034	1.2
171.11665	3.9
172.47054	0.7
173.13306	1.8
175.11310	0.9
175.14815	0.7
177.09230	1.0
179.08667	1.0
181.10120	0.9
181.12302	2.1
183.11699	2.5
184.12579	0.9
185.13339	1.7
189.12831	1.2
191.14247	1.0
192.09393	0.8
193.10208	1.9
194.11003	1.0
195.11787	1.8
197.13252	1.4
199.14841	0.9
203.14375	1.9
207.11769	1.7
207.13860	1.0
209.10861	1.1
209.13297	1.8
211.14938	1.3
215.14322	1.3
219.17099	0.9
221.10831	0.9
221.13373	1.2
221.15387	7.1
224.13229	1.2
225.14063	1.0
233.13391	1.0
233.15376	4.6
237.13930	1.5
247.12453	1.2
249.16475	0.8
262.13419	1.0
277.13147	0.9
281.19003	1.0
287.28842	0.7
299.20264	1.0
328.17920	0.8
352.18265	0.9
363.16190	1.1
365.24957	0.8
367.19415	1.5
377.18048	1.5
378.18826	1.0
379.19635	1.2
390.18457	1.5
391.19592	1.5
391.26239	1.0
392.20621	1.6
393.20978	2.9
399.11646	0.8
405.17007	1.2
406.17859	1.5
407.18057	1.3
407.22485	2.8
408.19586	0.8
409.20535	1.7
411.22351	0.8
419.18454	1.1
419.23102	1.3
421.20169	5.2
422.20862	1.0
423.21939	2.8
424.18863	1.3
425.19995	1.5
433.16077	1.1
434.16681	1.0
434.21887	1.0
435.17758	3.0
435.22354	2.7
436.22495	2.6
437.24081	4.2
439.21228	4.9
447.22351	4.6
448.18918	1.3
449.19803	4.6
450.18475	1.6
450.24295	3.0
451.21570	1.4
453.22897	1.7
459.21744	0.9
460.22684	1.0
462.20416	1.3
463.20724	8.3
464.22009	2.3
465.22910	1.2
475.21140	17.5
476.21988	2.3
477.22870	1.0
479.20633	1.2
481.26382	1.5
491.24597	3.8
493.26520	1.1
494.23669	1.4
503.20508	1.1
507.34723	1.0
508.21219	0.9
509.25577	17.0
512.24371	2.2
519.23920	2.3
527.26648	21.9
535.23737	1.2
536.23871	2.3
537.25024	32.2
538.24341	1.8
553.24487	7.7
554.23981	0.9
555.26221	8.3
563.22845	2.4
581.23975	10.5
581.39514	3.5
581.48572	0.8
599.25104	100.0
599.39911	15.9
600.25641	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2506
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
55.05503	0.8
57.07073	0.6
67.05503	1.2
69.03416	0.7
69.31454	0.6
79.05485	1.4
81.07068	2.4
85.06533	1.1
91.05499	2.4
93.07039	1.7
95.05000	1.2
95.08609	2.3
98.21532	1.5
105.07040	3.9
107.08613	1.5
109.10160	1.7
117.06998	0.8
119.08559	3.2
121.10163	2.5
123.08083	1.2
129.06996	1.4
131.08595	1.7
133.06512	0.7
133.10161	1.5
135.08078	1.4
137.09596	0.7
142.07764	0.8
143.08578	1.3
145.10165	1.9
147.08076	3.4
147.11742	0.9
155.08521	0.8
157.10075	1.5
159.11691	1.0
165.09119	2.5
167.10698	0.8
181.12332	0.7
203.14442	1.2
209.10712	1.1
209.13425	0.7
217.06076	0.7
221.10666	1.1
221.15369	3.4
222.11577	1.1
223.12350	2.0
235.08542	0.7
235.12286	1.6
236.13150	1.3
237.13968	3.3
238.14749	1.1
247.12474	0.8
249.13901	2.1
251.11967	3.2
251.15508	2.9
260.11755	0.9
261.14105	1.5
261.16528	0.7
264.12668	1.2
277.13446	0.7
279.14923	2.7
313.15732	1.2
314.16605	2.9
315.17276	1.1
324.14856	1.2
325.14453	1.8
326.82477	0.7
327.17212	0.8
328.18170	1.7
330.19672	1.9
336.15158	0.7
337.15591	0.8
338.16336	1.6
339.16187	6.2
340.17517	3.3
341.18152	1.3
342.16064	0.9
342.19821	0.8
347.12738	0.7
349.14774	0.8
350.16064	1.1
351.16354	2.3
352.17755	3.1
353.17654	7.7
354.18448	8.8
355.19400	1.5
358.19232	2.6
362.15640	1.3
363.16116	3.1
364.17184	3.2
365.17719	3.5
366.18750	1.6
367.15369	1.6
367.19388	3.9
368.15997	1.2
368.19989	2.1
369.20801	23.8
375.16235	1.5
376.17303	1.3
377.17648	2.9
378.19397	1.4
379.19244	12.4
380.20026	2.4
381.17093	2.6
381.20941	2.6
383.18216	0.9
389.17618	1.6
391.15204	1.5
391.19766	1.6
392.16351	0.9
393.16998	1.6
393.21503	1.0
394.18396	1.2
395.18704	2.1
395.22922	1.2
397.20309	9.1
398.21109	1.4
400.20447	1.6
404.16800	1.3
405.16479	0.9
405.20926	1.7
407.18637	1.9
408.19864	2.1
409.20355	2.8
410.18356	1.2
419.18741	3.1
421.20398	1.6
423.22366	3.3
424.18906	1.2
425.19730	31.5
426.20764	1.1
427.22287	0.8
433.20407	2.0
435.22028	1.3
437.19742	4.0
438.20688	1.0
439.21664	1.9
440.22372	2.4
441.22968	3.0
444.23050	2.1
448.19177	1.0
450.20938	0.8
451.21442	18.4
452.22473	3.5
453.18762	5.5
455.24814	4.3
456.25729	6.6
461.19855	2.2
462.20706	3.7
463.21677	1.2
465.23337	2.1
466.21231	0.9
467.24857	3.4
468.21878	1.4
469.22336	2.2
479.20816	1.3
480.21628	1.0
481.22784	0.8
483.24155	4.8
484.24829	7.2
487.68005	0.7
493.22287	1.4
495.23605	2.6
497.21988	3.0
510.22635	1.0
511.23642	6.0
512.24213	58.5
513.24487	0.9
519.34863	0.9
521.21869	4.7
538.22040	0.7
539.22943	55.1
540.23169	1.5
555.25958	1.4
567.21991	1.7
571.25323	1.1
581.24310	1.3
582.22382	3.9
599.25037	100.0
599.40875	4.8
600.25421	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	598.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89177	5.4
53.44405	5.1
55.01855	5.6
55.05517	31.3
57.03426	21.1
57.07076	11.0
58.19076	5.5
59.64404	5.8
59.70116	5.2
67.05515	82.0
69.03445	5.6
69.07064	14.6
71.08626	5.4
79.05502	71.0
81.03426	95.4
81.07063	68.7
81.78957	5.4
81.80931	5.9
83.04980	12.4
83.08614	26.0
88.75803	5.4
91.05481	49.8
93.07056	70.8
95.04990	36.3
95.08613	50.8
97.06525	11.3
97.10174	13.2
105.07047	46.8
107.04982	8.5
107.08604	45.1
108.08905	6.0
109.10165	31.5
111.08069	8.5
117.07066	12.6
119.08601	49.3
121.06514	6.2
121.10139	32.1
125.09721	6.5
128.06276	10.2
129.07019	12.8
131.08601	29.9
133.10115	25.2
135.11687	18.9
143.08531	11.7
145.10115	32.6
147.08034	8.7
147.11671	18.9
149.09610	12.1
149.13240	10.8
151.07466	5.4
157.10143	27.1
159.11647	16.0
161.09642	8.4
161.13205	9.2
163.11166	12.9
165.09233	8.8
171.11742	9.0
173.13251	10.9
175.11221	10.4
175.14868	6.2
185.13304	7.6
189.11256	6.6
193.12276	21.8
195.11623	6.6
203.14256	7.7
209.13120	6.2
211.14879	7.3
221.15381	14.3
261.16119	6.4
261.22137	13.0
267.15921	70.0
335.25769	48.8
345.06802	5.8
366.58212	5.8
435.32181	7.9
453.33600	8.5
471.34424	6.6
505.38547	6.2
524.67297	6.3
527.37292	100.0
539.22461	18.3
545.38104	22.3
571.25952	7.3
598.23639	16.0
598.39398	28.2
599.25830	6.9
599.40302	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	597.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	15.5
55.87717	1.8
57.03450	9.0
57.07078	3.0
65.03934	2.1
67.05512	33.8
69.03434	2.7
69.07074	21.2
69.23458	16.2
79.05503	11.1
81.03416	7.9
81.07065	35.9
83.08623	5.6
91.05507	9.9
93.07057	14.1
95.08620	29.1
97.06530	3.6
97.10175	5.7
98.98471	30.5
105.07040	8.2
107.08598	9.8
109.02891	7.8
109.06612	1.9
109.10153	15.3
117.07012	2.9
119.08604	8.0
121.10155	9.1
123.11744	4.4
133.10144	7.6
135.08034	2.0
135.11681	4.5
137.09613	2.8
139.11287	2.1
145.10072	2.5
147.11731	5.1
149.13286	2.2
155.01073	10.2
157.10165	3.0
159.11705	4.1
161.09581	2.0
161.13304	4.5
165.09163	2.6
173.02209	2.6
237.49893	1.7
261.03677	5.8
263.23730	5.1
335.07446	3.4
337.27396	100.0
462.33691	2.2
597.27551	4.6
597.39337	9.6
615.78632	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	597.3042
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03941	2.4
55.01878	1.4
55.05519	13.0
57.03444	6.8
57.07079	2.4
65.03944	2.0
67.05511	41.9
69.03443	1.9
69.07075	18.8
71.51650	1.2
79.05493	13.5
81.03426	7.5
81.07062	44.0
83.04974	2.1
83.08628	8.1
85.02943	1.0
85.06577	1.7
85.88396	1.1
91.05486	11.3
93.07053	17.6
94.74095	1.1
95.04999	2.5
95.08613	32.7
97.06531	3.7
97.10194	3.1
98.98473	45.6
99.00661	1.1
99.08048	1.4
104.10790	1.6
105.07048	9.5
107.08608	10.8
108.07639	1.0
109.02898	4.5
109.06511	1.5
109.10162	11.9
111.08094	1.9
113.09637	1.2
119.08609	8.9
121.10152	8.2
123.08063	1.3
123.11738	4.7
125.09727	1.2
128.06241	1.1
129.07066	1.2
131.08624	3.4
133.10138	6.2
135.08138	1.5
135.11714	4.7
137.13326	2.2
141.06978	1.5
145.10127	2.7
147.11729	3.3
149.09685	1.6
149.13280	1.9
155.01047	25.0
157.10181	3.4
159.11725	2.3
161.13271	2.9
163.11156	1.2
163.14835	2.3
167.10786	1.9
169.10207	1.7
171.11711	1.9
173.02153	1.9
175.14865	1.8
185.13249	1.5
189.16528	1.1
209.10878	1.3
211.08807	1.7
221.15344	1.3
225.10292	2.6
225.16379	1.1
237.10295	3.6
239.11855	2.2
245.22763	4.1
249.16597	1.3
251.11868	1.9
252.12659	2.1
261.03842	3.6
263.23718	8.8
269.19199	1.3
284.11624	1.4
297.12308	11.3
299.13998	2.9
311.13971	2.4
313.15640	1.5
317.06363	4.1
319.26303	1.5
335.07465	4.2
337.27393	100.0
338.27997	1.4
342.15964	1.5
425.29007	2.5
435.18137	3.9
449.19861	2.4
450.20639	3.0
463.21884	1.4
465.23615	1.9
479.24438	1.9
509.21921	2.4
523.23328	2.5
579.37915	1.4
582.25043	2.1
597.27252	52.2
597.38751	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	595.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.2
55.01881	2.3
55.05513	14.7
57.03438	7.9
57.07082	2.3
57.40035	1.3
64.48843	1.4
65.03938	1.6
67.05513	49.5
67.66687	1.4
69.03442	1.9
69.07082	12.2
71.04987	1.4
71.39767	1.4
77.97735	1.3
79.05067	3.0
79.05500	36.9
81.03429	10.3
81.07066	48.5
83.04984	2.4
83.08629	6.0
85.02924	2.2
85.06528	1.9
91.05474	20.0
93.07050	44.3
95.04958	5.0
95.08615	37.7
97.06539	3.9
97.10139	2.0
98.98479	57.1
99.04499	2.5
105.07038	17.4
107.08607	29.6
109.02903	7.9
109.10179	17.3
117.07023	3.6
119.08582	18.2
121.10152	18.5
123.11706	5.0
127.78056	2.0
131.08553	11.7
133.10161	13.3
135.11719	15.1
139.11188	1.6
141.06947	1.7
143.08565	3.2
145.10129	10.3
147.11699	9.4
149.13284	7.8
151.14761	2.0
155.01053	23.8
155.08536	1.6
157.10158	2.0
159.11722	9.0
161.13287	6.1
163.14828	3.5
169.10175	1.4
170.34357	1.4
171.11728	2.6
172.36490	1.6
173.02254	2.7
173.13283	6.6
175.14806	2.5
176.21849	1.5
187.14821	2.7
226.37381	1.6
233.22705	1.6
239.82680	1.7
243.21169	10.5
255.21175	1.7
261.03778	5.2
261.22162	20.1
267.21143	2.1
277.21652	5.1
293.18744	1.5
304.81921	1.7
317.06238	4.2
317.24783	9.4
335.07465	7.4
335.25842	100.0
336.26175	1.9
595.44098	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	596.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71631	2.4
53.03946	5.2
55.05515	19.2
57.03435	3.2
57.07084	5.1
67.05512	72.4
69.07072	14.4
71.04997	17.1
71.51038	2.4
72.08077	2.1
76.60511	2.2
79.05502	39.6
81.07062	100.0
83.08624	8.7
85.06566	4.3
91.05492	31.7
92.05812	1.9
92.19445	2.3
93.07047	40.2
94.07389	4.1
95.04987	3.4
95.08610	32.5
97.06565	4.1
97.10200	4.8
97.72709	1.9
99.08060	2.2
105.07045	23.0
107.08592	22.0
109.06519	3.1
109.10146	10.7
117.07050	7.6
119.08588	10.4
121.10150	15.5
123.11730	11.1
129.07030	2.5
131.08609	12.4
133.10161	15.2
135.11687	10.7
143.08557	3.4
145.10129	12.5
146.10396	2.8
147.11696	3.7
149.13255	4.0
151.11143	3.6
155.08545	2.5
157.10136	4.8
159.11671	10.3
161.13281	2.2
171.11694	2.4
171.63649	1.9
181.10205	2.4
183.13693	2.7
185.13289	3.0
187.14806	3.8
202.16646	2.2
247.45808	2.1
261.22281	3.3
269.17505	3.0
301.20187	5.7
311.29340	2.9
335.25906	8.6
503.37320	67.2
517.39178	2.9
522.42969	2.6
529.38141	2.6
540.45032	2.8
561.41595	35.6
596.47375	27.5
596.59351	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	597.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25421	1.5
52.48986	1.8
53.03927	2.8
55.01867	1.9
55.05517	54.0
58.06593	1.6
60.04531	10.6
63.03883	1.9
67.05492	5.3
69.03435	29.2
69.29760	11.6
70.02940	2.0
70.06597	3.4
71.04945	1.7
79.05495	5.4
81.03400	2.3
81.07056	3.7
83.04988	100.0
83.37573	1.7
84.04508	5.5
86.06062	7.3
86.09708	23.1
91.05476	11.6
93.07044	10.9
94.06548	3.5
95.04962	7.0
95.08580	2.8
96.08134	2.7
97.06547	9.0
98.06064	6.0
98.06873	1.7
101.06013	2.2
103.05451	1.9
105.07044	8.7
107.04958	5.5
109.06583	2.5
110.06049	4.4
111.04453	2.4
112.07578	2.7
113.06027	8.3
115.05457	2.0
117.07024	8.2
119.08572	7.7
121.06481	8.1
124.07582	6.0
126.09218	2.0
128.06236	3.5
129.06989	4.3
131.08586	4.1
132.10226	8.2
133.06491	3.0
133.10136	2.2
135.04457	1.6
136.07607	3.9
137.06091	1.8
140.07034	2.3
140.10683	2.3
141.06973	3.0
142.07739	1.9
143.08580	7.9
145.06497	4.0
145.10123	5.8
147.08099	3.8
147.11638	1.9
149.05980	4.9
151.07506	3.9
153.07010	1.6
154.07744	4.0
155.08571	3.8
157.10161	2.1
159.08073	4.2
161.05939	1.9
161.09682	2.7
162.09064	2.5
166.07739	1.9
167.07079	3.8
167.08417	3.1
169.10133	7.5
170.08148	7.4
170.09421	1.9
171.08095	5.9
173.06021	2.9
173.09624	7.3
173.12852	13.5
175.11290	1.8
179.07103	2.3
179.08566	2.4
180.06535	5.9
182.08234	2.7
183.08069	4.3
185.09610	4.0
187.11230	2.2
189.09048	2.9
190.08630	4.7
191.06961	4.4
193.12231	3.2
194.08128	2.4
197.09642	7.0
199.11124	2.2
201.09058	3.3
201.12299	8.0
205.08682	2.9
208.09732	3.1
215.07166	2.1
215.10747	4.9
217.08669	1.8
219.13417	14.4
223.09644	1.9
231.10158	3.3
233.11725	3.5
237.16040	1.8
243.10068	10.7
261.11246	29.0
279.12289	3.5
282.16205	2.1
283.16568	14.6
295.14117	6.3
302.13757	2.8
320.15012	3.4
338.15799	5.3
361.16483	59.4
433.23245	5.9
451.24472	4.8
461.22720	5.0
469.25253	2.5
479.23859	15.2
497.25000	31.8
513.20886	2.1
567.28967	2.4
579.29242	4.8
597.22083	2.1
597.30371	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	594.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.1
61.43168	3.2
65.51798	3.6
67.05508	17.4
69.07066	14.3
70.90536	7.5
79.05501	21.1
81.07047	11.5
83.08610	8.4
91.05479	10.5
93.07037	14.4
95.08613	6.2
97.05923	7.3
97.06532	100.0
97.10165	5.3
99.08127	8.1
105.07018	9.6
107.08615	8.5
121.06533	11.5
121.10140	11.0
126.01210	3.5
135.11690	7.0
147.04414	5.2
149.05962	21.1
151.07471	5.1
153.05481	22.7
177.09116	18.5
179.07047	26.9
181.08609	42.5
191.06996	18.6
192.31049	4.0
201.09099	3.9
205.08644	7.9
205.12309	3.7
209.08058	10.4
233.11740	56.7
251.12759	14.7
259.13293	6.9
265.25259	8.1
277.14398	70.0
282.85818	3.8
295.15424	41.8
320.85107	4.1
594.28040	7.5
594.45850	4.8
594.58069	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	594.437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.0
53.03936	6.4
53.17945	1.8
55.01873	3.9
55.05520	23.1
57.03440	16.4
57.07077	2.8
65.03936	3.5
67.05510	74.9
69.03414	2.8
69.07075	17.6
71.05003	5.6
71.67978	1.7
77.49979	1.9
79.05500	58.4
81.03426	100.0
81.07063	73.4
83.04996	8.6
83.08625	21.4
88.07647	1.8
91.04906	2.4
91.05491	46.0
93.06485	3.5
93.07053	57.5
93.07645	3.2
95.04983	30.8
95.08616	49.0
97.06519	5.4
97.10163	7.1
99.08099	2.0
105.07043	36.9
107.04956	8.8
107.08604	33.5
108.89362	1.9
109.06511	6.0
109.10170	24.3
111.08100	7.4
117.07030	10.5
119.08598	26.7
121.06501	3.7
121.10150	27.2
123.08058	3.9
123.11691	6.1
125.09641	4.7
129.07004	16.8
130.18376	1.6
131.08591	20.2
133.06488	3.3
133.10147	16.8
135.08095	2.0
135.11720	16.0
137.09621	3.5
139.11128	2.2
142.07755	5.3
143.08577	3.8
145.10153	11.0
147.07994	3.7
147.11720	14.9
149.09621	5.2
149.13268	8.6
157.10146	12.2
159.11711	8.2
161.13268	2.2
163.11218	2.3
163.14911	2.2
171.11652	3.1
173.09607	1.6
173.13254	6.7
175.11205	8.8
175.14841	3.6
183.11725	2.8
187.14909	3.7
189.11122	3.9
193.12273	27.0
197.13338	1.9
199.14752	2.7
201.16458	2.0
201.55919	1.9
227.12685	4.7
229.47340	2.4
243.21172	6.9
249.14857	5.0
251.16531	1.9
261.22192	19.0
267.15936	67.9
301.25256	5.1
317.24762	5.8
318.28964	1.9
335.25848	60.7
424.25803	1.8
435.32581	4.0
453.33673	7.1
471.34775	3.1
527.37378	98.2
528.37585	4.5
538.75806	1.7
545.38416	13.4
559.36682	3.7
594.27917	2.7
594.45807	8.6
594.56891	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	594.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04363	0.2
51.67747	0.2
55.05504	0.6
59.70210	0.2
63.85329	0.2
67.05501	1.2
69.07069	0.4
69.73814	0.3
71.51500	0.4
79.05506	0.7
81.07054	1.3
89.23070	0.3
91.05482	0.7
93.07042	0.4
95.04963	0.3
95.08617	0.5
98.98477	4.0
105.07066	0.5
106.06597	0.3
107.08592	0.4
109.10130	0.3
115.05452	0.4
117.07021	0.8
118.06558	1.2
119.07343	1.3
119.08619	0.3
125.00015	13.4
131.08554	0.3
132.08090	0.5
133.10130	0.3
134.09659	14.1
144.08095	7.2
144.09247	0.4
145.08900	4.2
159.11780	0.2
160.11227	88.4
161.11577	1.0
166.02660	0.2
177.16396	0.2
178.12286	6.2
258.08923	100.0
259.09317	0.9
324.17429	0.3
576.34546	0.8
594.35779	1.5
594.44330	0.3
601.33667	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	594.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.7
67.05512	2.0
69.07052	1.1
69.58694	2.0
79.05484	1.2
81.07066	1.8
91.05475	1.2
93.07032	1.2
95.08617	1.4
98.98466	3.5
105.06996	0.8
106.35822	0.3
107.08567	0.7
109.10099	0.5
115.05448	0.5
117.07007	0.9
118.06550	4.1
119.07327	3.4
124.99089	0.6
125.00009	11.5
128.06299	0.3
130.06467	0.3
130.48276	0.3
131.08554	0.3
132.08075	0.8
134.09663	30.4
139.66858	0.3
144.08089	11.4
145.08879	5.3
150.97314	0.3
158.09692	0.5
160.11224	100.0
161.11613	0.7
162.09131	0.6
163.09891	0.4
178.12282	85.9
179.12622	0.7
189.38194	0.2
189.69969	0.3
237.88187	0.3
258.08926	64.6
259.09106	0.6
275.65771	0.4
332.12564	1.0
336.26474	0.3
534.25946	0.4
576.34479	7.4
594.28516	1.3
594.35645	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2756
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
53.17061	0.3
69.28100	1.4
69.28529	1.8
71.96189	0.4
92.70499	0.4
105.14303	0.4
107.95300	0.4
139.93364	0.4
160.58992	0.4
175.70940	0.3
227.22758	0.4
262.29871	0.4
268.12250	0.5
389.17609	0.9
395.87784	0.4
402.18582	1.0
403.19339	1.6
404.20145	0.6
405.20776	1.2
406.21729	0.4
416.20184	0.5
417.16464	0.8
417.21634	1.8
418.21545	0.7
419.22391	2.7
430.17679	0.7
431.18335	5.8
432.18973	1.0
433.24109	4.2
434.24609	0.5
445.20099	6.9
446.20773	3.2
447.21790	3.5
449.23056	0.5
459.21683	2.1
460.22595	8.4
461.23331	7.1
473.23593	1.8
474.24182	0.7
476.25812	0.7
487.25287	0.8
489.26541	0.7
491.24493	0.4
492.25385	0.8
505.22034	4.5
519.23724	0.8
533.25537	18.6
534.25684	0.9
549.22760	0.4
564.23431	0.7
565.28137	0.5
593.27606	100.0
594.27679	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	593.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44624	0.4
70.75658	0.6
70.76009	0.9
93.19663	0.6
112.97919	0.5
123.29478	0.5
140.81544	0.4
156.33411	0.5
178.93660	0.5
217.26195	0.4
256.12869	0.4
387.16315	0.6
389.17621	0.9
401.17670	0.9
402.18475	0.6
403.19232	2.5
404.20020	0.8
405.20767	1.0
416.20151	0.9
417.21445	3.4
418.21576	1.7
419.22208	3.0
427.52704	0.5
430.17834	1.1
431.18173	7.4
431.23593	0.7
432.19022	1.4
432.23831	1.0
433.24216	7.2
434.24911	0.6
445.19925	9.5
446.20966	4.7
447.21606	4.4
459.21469	3.7
460.22592	13.8
461.23328	12.9
473.23392	1.9
476.25845	1.6
477.26984	0.9
487.25146	0.8
491.24634	1.1
492.25293	1.0
505.22000	6.2
518.23303	0.7
519.23645	0.6
533.25519	47.4
534.26117	1.2
547.26312	0.5
565.27753	1.2
593.27612	100.0
594.28229	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	593.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98311	0.2
52.77179	0.2
57.17069	0.2
67.05484	0.2
69.03403	0.5
70.95807	0.6
79.05471	0.3
81.03403	0.3
81.07005	0.6
82.38783	0.3
84.05128	0.2
85.02887	0.2
90.87431	0.2
91.05425	0.3
95.08560	0.5
109.10096	0.3
121.10078	0.3
121.77293	0.3
127.03914	0.3
132.05659	1.1
133.06497	2.9
133.17383	0.2
135.04420	2.1
135.11617	0.3
147.11659	0.2
154.99759	1.6
161.05959	0.3
180.00499	0.4
182.99257	4.4
185.05931	0.4
197.06024	0.5
198.01550	0.7
200.08372	0.2
201.00305	1.9
213.03865	0.9
216.02676	0.3
227.07025	0.9
228.04276	0.3
228.07845	2.0
249.20953	0.2
256.07245	0.7
283.06061	0.4
284.06772	1.3
287.05533	4.7
289.05151	0.3
312.06293	13.5
315.04980	58.0
316.05389	0.9
327.08875	0.3
330.07346	12.9
345.09692	100.0
346.10089	1.1
523.15143	0.3
525.76208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62372	0.3
55.05505	0.7
58.18191	0.2
67.05513	2.4
69.07059	0.4
70.90526	0.4
70.90854	0.4
79.05499	1.6
80.05026	0.4
81.07064	1.8
91.05465	1.1
91.77486	0.3
93.07047	1.7
95.04980	0.3
95.08603	1.2
95.22071	0.3
98.98476	3.5
105.07035	0.8
107.08596	1.1
109.10111	0.6
115.05430	0.3
117.05754	0.6
117.07027	0.9
118.06551	3.9
119.07339	3.7
119.08589	0.4
125.00021	12.0
126.37117	0.3
130.06531	0.4
132.08080	0.6
134.09663	31.7
139.63745	0.3
140.00781	0.3
144.08096	11.4
144.09235	0.7
145.08893	6.0
150.32787	0.3
158.09744	0.3
160.11230	100.0
161.11537	0.8
161.28922	0.3
162.09164	0.5
163.09970	0.5
178.12285	80.3
179.12654	0.8
192.07980	0.3
258.08929	61.9
259.09250	0.8
332.12592	1.0
335.25916	0.4
337.27383	0.5
412.33957	0.3
440.53052	0.3
574.33002	5.4
592.34015	16.5
593.33972	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84248	0.2
57.01321	0.3
67.05473	0.2
69.03408	0.5
71.51214	0.3
79.05452	0.2
81.03390	0.6
81.07050	0.3
82.38783	0.2
84.06780	0.2
85.02871	0.8
91.05440	0.5
93.07038	0.3
95.08596	0.3
97.02868	0.3
99.04385	0.3
105.07005	0.3
107.08595	0.3
109.02856	0.7
109.10081	0.6
113.02320	0.3
119.04936	1.5
119.08543	0.4
121.02862	1.4
127.03874	0.6
137.09578	0.7
141.31590	0.2
151.00296	0.3
165.09088	0.8
166.02597	0.4
169.01323	2.1
175.07544	0.4
183.10245	0.2
184.03621	0.2
187.06012	0.6
191.10670	0.4
196.99136	0.4
197.00821	4.9
214.87392	0.3
215.01942	1.6
227.05455	0.8
241.04950	0.4
256.07309	0.4
267.06360	0.2
269.04413	1.2
272.03134	1.6
282.05234	0.3
283.06021	2.5
284.06805	2.1
286.04691	0.2
287.05499	2.4
295.06061	0.3
297.03949	18.7
298.04398	0.4
299.05521	1.3
300.02649	1.3
301.07031	0.3
311.05472	1.1
312.06305	5.6
313.07236	0.2
315.04993	49.0
316.05380	0.9
329.06531	0.5
330.07330	8.2
345.09698	100.0
346.09988	2.4
492.63907	0.2
504.19095	0.2
542.04749	0.2
549.16040	2.0
593.15027	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	591.2608
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
55.05539	0.3
57.07076	0.3
64.01749	0.3
67.05505	0.5
69.07055	0.4
81.07055	0.8
93.07042	0.4
95.08617	0.5
103.28604	0.3
109.10117	0.3
117.06984	0.3
133.36389	0.3
142.18698	0.3
142.79089	0.3
145.10223	0.3
148.95450	0.3
149.58711	0.2
153.22372	0.3
157.10252	0.3
169.10159	0.3
174.66774	0.3
181.09996	0.3
185.13283	0.3
197.13370	0.3
203.31920	0.2
228.27724	0.2
265.92804	0.3
388.17612	0.3
400.17383	0.5
401.17499	1.3
402.18417	0.5
403.19235	0.4
404.21146	0.4
412.17984	0.4
413.17984	0.8
414.18622	0.9
415.19254	5.1
416.20023	1.7
417.20862	0.5
418.22015	0.4
427.19473	0.4
428.20248	1.0
429.20844	7.5
430.21716	4.9
431.22809	1.5
433.23996	0.8
441.20694	0.3
443.22858	3.3
444.23697	6.0
445.24316	4.0
448.26401	1.1
456.19592	0.4
457.20288	1.1
457.25266	0.4
458.24905	1.4
459.21484	2.8
459.25870	3.1
460.26703	0.3
461.23438	0.8
471.21841	0.5
472.22604	3.6
473.23566	6.0
474.24432	2.8
475.24789	1.1
476.22443	0.4
485.23590	1.8
486.24393	0.6
487.24985	20.3
488.25342	1.0
489.22961	2.3
490.23630	0.6
501.22815	0.4
503.24878	2.4
515.24500	1.3
517.22614	0.9
518.23395	0.8
519.27441	0.3
531.23981	15.1
532.24756	4.6
563.26544	0.6
576.23511	0.4
591.26080	100.0
592.26447	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	591.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34437	1.4
53.03947	2.0
55.05516	14.3
57.03441	9.3
57.07082	43.2
65.03947	2.7
67.05511	65.0
69.07073	16.5
69.80303	6.7
71.08635	27.2
71.99506	1.2
78.51993	1.2
79.05073	2.2
79.05501	36.6
79.68292	1.3
81.07063	67.8
83.04975	1.5
83.08627	16.4
84.37589	1.5
85.06532	2.0
85.10191	16.0
89.06026	2.2
91.05491	22.4
93.07051	47.8
95.04971	1.9
95.08616	61.2
97.10178	6.8
97.63837	1.3
98.20738	1.8
105.07048	13.0
107.08606	29.0
107.62815	1.5
109.10162	27.9
109.81327	1.6
111.08094	2.1
117.07039	6.5
119.08591	11.7
120.76411	1.4
121.10153	18.9
123.11707	15.3
131.08577	12.3
133.10143	12.0
135.11708	18.5
137.13263	7.9
145.10152	9.0
147.11688	8.2
149.13246	11.7
153.12712	1.7
159.11694	9.3
161.13277	5.9
163.14825	9.2
173.13271	11.3
175.14911	2.4
187.14865	5.4
233.22656	2.5
239.23709	5.0
243.21132	15.7
245.19308	1.6
257.24924	2.4
261.22159	69.4
279.23181	2.4
291.23181	2.2
313.27383	100.0
317.24771	13.3
335.25815	64.1
353.27039	2.2
499.45453	2.3
573.48804	16.3
591.49597	6.6
611.04370	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.34
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10274	0.5
50.42833	0.4
52.63894	0.4
55.05510	1.4
57.03408	0.4
67.05528	2.0
69.07082	1.3
71.05820	0.8
79.05495	1.5
81.07069	3.1
83.08622	0.6
89.76362	0.4
91.05484	1.2
93.07053	1.2
95.08611	2.2
98.98463	3.5
105.07039	1.0
107.08578	0.9
109.10131	0.5
117.07022	1.2
118.06599	1.1
119.07330	1.3
119.08589	0.7
124.22816	0.4
125.00021	14.3
132.08122	0.6
133.10150	0.7
134.08673	0.8
134.09666	13.7
142.02711	0.5
144.08086	7.6
145.08894	3.9
150.24472	0.4
151.00443	0.5
160.11230	90.1
161.11592	0.9
178.12283	5.9
221.00249	0.5
258.08929	100.0
259.09238	0.9
337.27423	8.0
547.49261	0.5
574.33167	0.8
592.34393	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.0
55.05319	2.6
55.05515	29.5
57.03423	11.1
57.07080	82.0
62.16397	2.8
65.03924	3.9
65.45636	2.5
67.05509	82.5
69.07072	33.8
71.05032	3.1
71.08636	59.3
71.50204	3.9
79.05491	50.9
80.70858	2.7
81.06593	5.0
81.07064	84.6
83.04996	2.9
83.08623	23.4
85.06513	4.9
85.10181	27.9
85.19848	2.6
91.05488	65.1
93.07050	58.4
95.04946	8.2
95.08613	79.2
97.10172	16.4
99.00835	2.7
99.08074	10.3
101.45344	3.5
105.07037	71.4
107.08586	38.4
109.10163	32.8
117.07017	19.1
119.07813	4.2
119.08591	57.5
121.10130	20.1
123.08042	3.7
123.11708	11.4
129.06990	10.4
131.08572	25.5
133.10141	44.1
135.11679	26.0
137.05972	5.3
137.13287	4.6
143.08549	7.9
145.10117	24.3
147.11670	56.4
149.13251	16.1
151.11180	8.7
157.10156	12.4
159.11708	23.4
161.13254	40.9
162.92465	3.0
163.11182	8.6
163.14806	3.8
171.11664	12.3
173.13220	13.8
175.14865	16.6
178.39926	2.8
179.14368	9.4
185.13234	12.9
187.14769	5.3
189.12694	3.5
199.14815	7.8
222.13496	2.7
222.59375	2.8
231.21077	11.4
239.23701	9.6
241.19537	39.5
244.20065	3.8
259.20590	100.0
277.18176	4.8
277.21585	19.0
313.27356	97.1
315.23196	10.1
333.24271	46.4
335.25702	4.1
349.23575	3.1
571.47321	22.9
589.48486	45.4
618.47455	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	590.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
55.05507	7.0
57.03424	6.5
57.07079	29.6
57.90654	2.0
67.05510	15.8
69.07060	7.9
71.08636	23.4
71.23938	3.8
79.05505	10.1
81.03424	43.1
81.07068	20.8
83.04998	2.3
83.08642	16.2
85.10179	8.3
91.05474	16.1
93.07042	8.5
95.04978	13.3
95.08612	16.6
97.10155	4.2
100.76643	2.0
105.07033	9.4
107.04955	4.0
107.08586	6.6
109.06511	3.5
109.10176	7.4
111.08083	3.6
119.08562	11.5
120.08968	2.1
121.10123	4.7
123.11735	2.9
129.06967	5.3
131.08586	4.9
133.10141	7.7
137.05998	3.7
143.08530	2.6
147.11697	8.1
149.09654	2.5
149.13271	2.6
157.10144	5.8
161.13177	3.7
175.11208	5.4
178.60236	2.3
193.12288	15.2
213.92885	2.4
259.20569	5.2
260.20999	2.5
267.15897	33.2
313.27393	42.1
314.27753	4.7
333.24042	2.9
334.24493	3.1
505.38931	100.0
590.48724	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57676	0.6
94.93019	64.9
96.92813	1.5
112.89619	9.3
114.89351	3.4
136.94044	7.5
148.94090	2.6
150.91965	2.4
156.04240	6.1
157.04561	0.8
158.04007	0.6
162.02753	0.6
166.95073	3.2
180.93056	1.6
196.96103	1.1
202.89156	3.3
206.88603	11.0
226.97209	1.3
230.88600	20.1
232.88402	1.9
248.89671	100.0
256.98270	1.5
260.89630	1.3
281.95328	0.6
284.83688	1.2
298.85419	0.7
304.81790	2.0
308.96210	6.7
320.95944	0.6
344.85840	1.5
419.03568	7.5
440.81982	3.0
494.76016	0.6
531.04712	0.7
591.07318	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	589.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.2
54.53859	3.1
55.01857	8.1
55.05515	84.2
58.99580	14.5
60.27041	2.9
61.01155	3.0
61.02929	3.7
67.05502	14.7
68.99790	5.2
69.03088	4.0
69.03436	56.5
69.07063	6.0
70.29427	6.5
70.29799	4.3
71.04980	4.4
73.02903	3.3
74.16165	2.8
79.05492	21.8
81.03419	11.2
81.07048	12.5
83.04491	5.2
83.04986	100.0
85.01118	4.4
85.02899	5.2
85.06516	7.0
86.99055	15.0
87.00821	8.7
89.00654	3.8
91.05479	46.2
93.07049	35.0
95.04971	25.3
95.08578	9.4
97.01134	15.2
97.02885	4.0
97.06537	11.8
99.04487	13.0
103.05440	4.8
105.07045	27.4
107.04945	8.3
107.08572	12.8
109.02863	5.0
109.06514	8.5
113.06020	3.1
115.05442	10.4
117.00087	17.3
117.07050	24.4
119.08588	38.4
121.06522	14.0
121.10143	5.6
123.02673	5.8
123.04436	2.8
123.07998	3.3
123.64729	2.6
125.04212	3.1
125.05983	2.7
128.06197	9.9
129.01822	9.8
129.07024	20.0
131.08620	19.3
133.01328	9.0
133.06483	4.0
133.10115	10.9
135.02649	4.8
135.04407	3.0
135.08061	9.7
137.04175	5.6
141.06995	8.0
142.07793	8.0
143.08533	30.0
144.99571	3.8
145.06438	6.5
145.10136	28.4
147.02727	6.8
147.08061	16.1
147.11642	5.4
149.04250	5.8
149.05994	7.4
149.09593	7.1
151.05762	29.3
153.03711	6.6
153.07095	4.3
154.07762	6.8
155.08542	17.7
156.09308	4.0
157.06512	4.3
157.10162	16.7
159.08066	6.6
159.11710	4.9
161.04271	5.1
161.09618	10.2
163.05716	4.6
163.07579	6.2
163.11226	3.3
165.07019	4.6
165.09099	9.4
166.07721	4.0
167.08614	3.3
169.10153	8.7
171.08087	4.0
171.11720	15.9
173.09657	22.4
175.02415	53.6
175.05701	4.0
175.11177	10.0
177.03769	2.7
179.05247	11.0
179.06943	3.1
179.08620	3.7
181.10194	16.3
183.11523	3.2
184.08804	3.2
185.09529	7.0
187.05722	6.3
187.11235	6.0
189.09081	4.4
189.12738	4.5
191.10674	7.6
197.06273	12.5
197.09610	6.5
199.04218	4.1
199.11191	21.4
201.07347	4.8
201.09050	3.5
201.12738	3.6
203.08882	5.6
203.10588	4.1
205.06876	4.0
207.08527	4.1
213.07356	5.9
215.10672	11.8
217.01619	3.3
217.12257	27.4
227.10689	16.0
231.08359	9.5
233.11739	6.1
235.13484	3.4
245.11809	22.2
249.09402	16.6
251.07304	3.0
253.09015	3.0
259.07867	7.2
263.12756	11.2
265.08920	5.3
267.10690	3.4
277.08902	22.4
278.09314	4.5
283.10211	3.4
295.09976	54.4
303.10284	3.7
313.11111	48.2
321.11526	6.7
331.12177	7.8
339.12708	7.3
344.56693	2.9
349.11148	3.4
367.12125	12.4
385.13184	16.8
395.15149	5.6
413.16299	11.2
425.12564	8.3
435.10889	3.2
443.13950	6.8
453.12454	5.4
471.12961	10.0
489.14209	10.3
571.18359	5.2
589.18903	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	589.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.6
55.01860	2.1
55.05514	20.5
57.03442	12.4
57.07076	49.9
59.05003	1.2
59.96397	1.1
59.98754	1.1
65.03925	3.7
67.05505	51.3
69.07070	21.9
69.99445	3.5
69.99853	2.3
71.04983	3.2
71.08630	35.8
77.03938	1.6
79.05495	43.4
81.03407	2.0
81.07057	56.7
83.04976	3.0
83.08624	16.9
85.06524	2.4
85.10178	17.2
89.06019	2.3
91.05482	57.7
93.07044	50.5
95.04960	6.0
95.08607	53.6
97.06525	3.3
97.10149	5.8
99.08088	5.6
103.07590	1.7
105.04481	1.9
105.07030	59.3
107.04921	2.2
107.08597	27.1
109.06515	2.1
109.10159	20.2
111.08092	2.9
113.09618	2.0
115.05434	2.3
117.07016	14.7
119.08578	55.1
121.10144	22.2
123.11690	7.6
129.05510	2.0
129.06973	9.7
130.07822	1.3
131.08568	25.5
133.10132	38.3
135.08055	3.0
135.11688	19.7
137.09598	2.0
137.13268	1.7
143.08566	8.6
145.10123	20.5
147.08006	1.6
147.11693	44.6
149.09538	2.3
149.13255	11.9
151.11194	3.6
157.10132	9.4
159.11679	18.8
161.13260	35.7
163.11177	4.7
163.14810	4.6
171.11684	14.9
173.13242	12.6
175.11267	2.4
175.14821	16.9
177.12756	2.2
179.14310	11.3
185.13258	11.7
187.14777	3.6
189.12773	2.6
199.14914	6.3
203.17989	1.4
213.16376	3.0
215.17908	3.1
217.19585	2.5
231.21091	12.4
239.23674	5.4
241.19521	43.3
257.24667	2.3
259.20575	93.2
275.19986	2.7
277.21631	10.4
313.27362	100.0
315.23193	7.7
333.24222	46.1
351.25186	2.8
497.43161	2.4
571.47284	9.7
589.48419	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01870	4.4
61.02924	1.4
65.67894	1.1
68.99814	1.7
69.03431	12.7
73.02909	2.3
79.05488	2.1
80.93855	1.2
81.03426	14.0
81.07053	1.6
85.02911	16.7
87.00846	7.0
91.05479	6.3
94.04189	4.6
97.02898	6.0
98.20691	1.6
99.04456	4.9
103.05464	4.8
105.01862	4.4
105.06384	1.2
105.07037	3.2
105.44573	1.3
106.75216	1.2
107.04987	1.7
109.02888	9.7
109.06522	2.2
115.05457	3.6
117.01890	1.2
117.07047	2.5
119.08575	3.4
122.03676	9.0
127.03928	11.6
128.06194	3.9
128.98274	1.2
129.07027	1.9
131.04944	7.3
132.05740	3.0
133.06483	2.6
137.05988	100.0
141.06981	2.0
144.94756	1.2
145.05005	3.4
146.03662	2.2
147.08046	5.2
151.07529	1.4
159.02939	5.6
160.05219	3.5
161.05972	12.7
163.07549	11.5
169.28801	1.3
173.09575	1.4
175.07561	55.4
187.07542	4.5
191.08586	3.8
199.07576	16.9
201.09105	2.3
202.07751	5.9
203.08545	10.1
219.08055	5.4
220.08815	4.1
231.05858	1.9
231.08000	12.5
232.08826	2.1
233.09691	1.6
247.07408	2.9
248.08311	5.3
249.09096	1.7
251.10719	3.7
259.07596	6.9
260.08276	2.2
261.09238	1.6
263.10620	8.7
272.54129	1.2
276.07788	5.1
277.08707	4.2
279.10117	3.1
280.11224	1.9
291.10217	14.6
292.10843	6.0
293.08157	2.4
295.13281	2.3
308.10321	3.1
311.12900	6.7
323.12769	33.1
325.14307	4.6
354.35150	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51040	0.3
55.05504	0.9
56.05028	1.3
56.18057	0.3
57.03421	0.4
58.06581	1.7
59.07365	0.4
60.08167	16.8
67.05499	1.1
69.07063	0.8
71.07375	7.6
71.08628	0.3
71.25581	0.3
71.25914	0.4
72.08147	0.6
73.20148	0.3
74.09704	0.3
79.05497	1.0
81.07058	1.0
83.04982	0.4
83.08615	0.5
86.09711	51.7
86.33553	0.4
87.10016	0.4
91.05492	0.6
93.07050	0.9
93.27804	0.3
95.08613	1.1
98.98471	4.9
104.10749	100.0
105.07030	1.0
105.11086	0.3
107.08604	1.0
109.06513	0.8
109.10150	0.4
119.08576	1.0
121.10179	0.5
123.08064	1.0
125.00011	31.1
131.08600	0.4
133.10120	0.5
135.08054	1.1
145.10165	0.4
149.09589	0.5
157.10132	0.4
161.09593	0.3
163.01540	0.3
166.62532	0.3
170.43199	0.3
173.73862	0.3
177.12784	0.4
179.14323	0.9
184.07350	93.8
194.01610	0.4
205.63722	0.3
251.01540	0.3
254.00256	0.3
258.11090	1.1
309.97025	0.3
311.82086	0.3
331.26337	0.7
397.21701	0.3
405.30566	0.3
529.28967	0.3
570.35583	7.1
588.36652	25.5
589.37085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01863	1.7
56.23576	0.5
67.05492	1.5
70.06580	1.8
71.37807	0.8
79.05492	3.0
85.02931	0.6
86.09695	0.8
87.44936	0.6
91.05476	4.5
95.04984	1.0
97.02888	0.8
103.05463	5.4
105.07037	15.8
107.04955	2.2
109.02882	0.6
109.06502	1.0
109.10148	1.2
111.04381	0.6
115.05415	0.8
117.07042	0.8
118.04173	5.0
119.04953	4.3
120.05727	1.1
121.06487	1.1
122.07304	1.0
123.08068	1.8
124.05209	1.2
125.06004	0.7
127.03915	1.1
129.41521	0.5
131.04942	7.1
133.02878	3.7
133.06506	16.6
135.04410	1.4
135.08072	2.7
137.05983	8.7
145.05074	0.8
147.04408	2.9
148.05249	0.8
149.05986	3.5
150.06775	9.4
151.07556	5.3
152.08281	0.7
161.05988	2.4
163.07558	11.4
165.05539	1.4
165.09125	12.4
167.07034	10.1
175.07561	0.7
178.06224	1.2
179.07036	4.9
191.07230	0.7
193.06021	0.9
193.08617	53.5
211.09668	100.0
212.24805	0.7
213.11287	1.6
213.23671	0.6
229.14412	1.6
231.93867	0.6
243.10890	0.5
251.22374	0.6
278.64694	0.7
341.13821	2.4
361.16458	2.5
465.87839	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79555	0.3
56.05033	1.4
63.57067	0.3
69.07068	6.6
69.27753	3.1
70.06614	0.5
73.58276	0.4
74.06083	3.4
74.09711	0.4
75.85514	0.3
81.07040	0.5
84.04488	0.5
86.09708	100.0
98.06065	0.5
98.21573	0.7
102.05542	0.7
105.06908	0.4
116.07124	0.4
126.05519	6.2
130.05031	0.6
144.06587	0.7
148.06062	3.3
153.06604	1.9
154.21928	0.4
157.13371	4.3
169.09717	0.9
185.12901	0.8
197.09219	15.2
199.18102	1.3
215.10277	5.8
227.17535	2.2
227.19493	0.4
238.15564	0.5
245.18280	0.5
261.14462	7.3
282.18326	1.1
298.21429	0.5
300.19174	14.9
304.90396	0.4
328.18671	29.5
329.19058	0.5
374.22952	0.8
426.53836	0.4
427.29074	0.4
441.27203	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	588.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
53.90597	1.9
54.07653	1.7
54.51281	1.7
55.01868	3.1
55.05516	68.3
58.96062	1.6
58.99588	6.2
60.68519	1.7
65.79777	1.8
69.97140	9.4
72.37142	1.7
79.05513	3.1
81.07041	3.4
83.04989	100.0
86.99052	5.2
91.05482	3.9
93.07076	2.7
95.04958	3.4
97.01109	2.7
97.19428	1.8
98.21471	2.8
98.22749	1.8
105.07033	6.4
109.06487	2.8
117.00076	6.8
117.07038	2.6
119.08578	3.0
120.99566	2.4
121.06557	1.9
126.62211	1.7
128.06226	3.7
129.07004	15.2
131.08568	13.3
141.07036	3.6
142.07753	13.1
143.08591	16.3
143.56268	1.8
145.10107	17.4
147.02713	9.5
153.07065	3.3
155.08543	9.7
156.09340	6.7
157.10127	42.5
158.07224	2.4
159.08096	3.6
161.04266	3.3
166.07851	3.5
167.08443	2.9
168.09373	3.2
169.10181	7.5
171.08086	2.7
171.11682	5.7
173.04399	1.9
173.09651	16.4
175.02417	3.1
179.08475	2.3
181.10120	17.2
182.10840	2.2
183.07979	2.5
183.11707	3.6
185.09683	20.3
187.05840	3.6
187.07487	2.0
187.11168	2.4
189.07396	14.2
197.09673	5.5
198.04979	22.8
199.05676	2.3
199.11185	19.4
201.12703	2.9
203.10693	5.5
209.09660	6.1
213.07341	47.5
213.09224	3.7
215.08865	2.2
215.10641	9.0
217.06866	8.3
217.12262	2.7
227.10652	17.1
231.08423	9.5
235.07861	7.1
245.11749	21.4
249.09480	7.3
259.07858	12.6
277.08978	40.5
295.09979	7.4
303.14032	1.9
313.11197	6.8
328.16357	2.2
349.11102	6.5
377.14188	46.2
395.15118	4.7
435.11264	16.2
449.16348	43.8
453.12372	13.4
467.17502	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	587.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03928	2.2
51.02376	3.2
53.03941	10.0
55.01868	9.7
55.05515	32.6
57.03450	11.9
57.07077	4.3
59.31133	2.2
65.03930	5.9
67.05511	98.2
69.03435	4.3
69.07078	15.4
70.86227	1.9
71.01362	7.9
71.04997	5.1
71.51391	3.8
77.03950	3.7
79.05499	68.2
81.03423	34.2
81.07062	70.7
83.04979	9.9
83.08636	15.6
83.88042	2.1
85.06567	3.9
91.05490	47.2
91.06026	3.8
93.06477	4.6
93.07049	60.7
95.04977	80.0
95.08008	1.7
95.08612	49.2
97.06539	6.5
97.10188	12.2
103.05460	2.8
105.03415	2.0
105.07032	30.9
107.04961	12.1
107.08603	36.5
109.02866	15.1
109.06543	9.5
109.10176	23.5
111.08091	6.1
112.72345	2.0
117.07024	20.8
117.98618	2.3
119.08599	27.6
121.06517	9.7
121.10143	23.1
123.04435	82.0
123.08107	3.8
123.11702	6.6
125.09614	10.2
128.06213	2.2
129.07016	14.3
130.07826	2.1
131.04907	4.9
131.08597	24.6
133.06488	4.3
133.10138	12.4
135.04506	2.4
135.08051	7.8
135.11696	20.7
137.06013	3.5
137.09676	2.4
139.03931	2.8
141.07056	3.1
143.08559	11.8
145.06499	4.8
145.10112	28.1
147.08054	9.1
147.11678	10.9
148.56537	2.0
149.09644	4.1
149.13257	4.7
153.09134	8.8
155.08539	9.0
157.10132	8.9
159.08144	3.3
159.11681	7.7
161.09634	2.7
161.13260	5.0
163.11182	23.5
165.12761	2.3
169.10052	3.0
171.08098	2.7
171.11659	13.0
173.09627	12.0
173.13228	6.3
175.11162	2.8
175.14812	3.1
181.10143	3.6
183.11674	2.3
189.11226	4.7
189.12767	13.6
191.10631	5.0
195.11699	2.4
197.09537	2.6
197.13203	2.8
199.11165	5.8
199.14851	2.3
205.12334	3.1
207.13766	16.9
217.12306	11.8
227.12791	3.4
235.13290	100.0
243.21156	3.8
253.14429	5.1
261.22177	10.8
273.14966	2.5
291.16006	3.9
309.16983	68.9
317.24722	2.6
335.25842	73.6
379.25711	2.8
459.33185	2.2
477.33447	5.9
495.34927	5.0
513.35809	3.4
551.37164	6.7
569.38477	68.4
587.39587	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	587.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.9
53.03944	1.9
53.36797	0.6
55.01872	5.6
55.05512	11.8
57.03453	3.5
57.07081	6.2
65.03960	1.0
67.05181	1.2
67.05511	15.4
69.03416	1.1
69.07074	23.4
71.05010	0.9
71.08639	4.1
71.08954	0.7
71.21954	1.3
79.05502	20.6
81.07066	15.1
83.04995	1.3
83.08630	10.5
85.06560	0.9
85.10177	2.1
91.05492	8.4
93.07047	10.5
95.04984	2.4
95.08614	10.1
97.06540	100.0
97.10181	7.6
99.08105	5.5
102.56527	0.8
103.05489	3.2
104.97729	0.7
105.04490	1.0
105.07054	7.9
107.04958	3.6
107.08604	6.4
109.10163	4.6
111.08092	0.8
111.11737	2.1
115.05466	1.8
117.07029	3.7
119.04974	2.6
119.08595	3.8
121.06525	12.9
121.10163	9.0
123.08105	1.1
123.11716	1.9
125.05873	0.7
129.07011	1.9
131.05016	1.0
131.08588	1.4
133.06512	3.0
133.10149	2.0
135.08101	3.0
135.11710	6.0
137.13290	1.2
138.03214	1.1
143.08560	1.5
145.06551	2.0
145.10147	3.2
147.04420	4.1
147.08067	2.7
147.11769	0.8
148.05214	1.6
149.05994	18.9
149.09660	2.0
149.13283	2.5
151.07542	4.2
153.05475	23.3
159.08128	0.8
159.11760	1.7
160.22382	0.7
161.06018	1.8
162.06766	1.1
163.07602	4.5
163.14874	1.0
166.06314	2.5
167.07117	1.4
171.08046	1.6
171.11679	0.8
173.06012	1.3
173.09680	1.4
173.13295	0.7
175.11261	0.9
177.09131	17.1
179.07048	21.9
179.08554	1.2
179.14360	1.4
181.08609	33.5
187.07664	1.2
189.09140	1.7
191.07040	17.5
193.08623	1.6
195.10210	0.9
199.11270	1.4
201.09174	3.0
203.10727	1.0
204.07843	1.3
205.08595	4.4
205.12308	2.5
209.08090	1.2
217.08527	0.8
218.09294	1.4
219.10168	1.7
219.17525	1.1
221.11736	1.5
233.11745	62.5
234.12099	0.8
249.11298	2.5
251.12778	4.1
257.19116	1.2
259.13342	4.1
259.99640	0.7
263.12860	1.3
275.20120	3.3
275.27344	4.4
277.14371	23.8
293.28439	3.5
295.15393	7.3
331.09662	0.7
511.21884	1.0
587.46637	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	587.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.7
53.03939	7.9
53.98580	2.1
55.01876	7.4
55.05514	31.7
56.51226	1.9
57.03435	14.6
57.07081	2.5
65.03944	8.2
67.05508	100.0
69.03432	2.7
69.07074	16.4
71.01333	5.2
71.04988	4.1
71.08617	2.6
71.52120	2.3
73.51680	1.8
74.24399	2.5
79.05495	57.7
81.03418	33.0
81.07059	74.5
83.04979	10.3
83.08636	14.2
83.09048	2.4
85.06546	2.9
91.05483	45.0
93.07044	63.9
95.04977	81.4
95.08613	51.8
97.06530	8.3
97.10174	12.0
103.05486	5.3
105.04578	2.7
105.07030	32.1
107.04955	18.5
107.08602	34.3
108.89458	2.8
109.02884	17.8
109.06532	8.3
109.10171	22.7
111.04446	3.3
111.08089	5.7
117.07034	18.7
119.08581	28.7
121.06505	8.4
121.10137	28.2
123.04433	75.2
123.08049	3.8
123.11697	9.2
125.09645	7.2
129.07005	12.4
131.04912	3.2
131.08591	22.8
133.06497	3.4
133.10135	23.4
135.08055	7.7
135.11700	22.0
137.05972	3.7
137.09709	2.8
137.13171	3.4
143.08578	10.1
145.06496	8.2
145.10132	26.6
147.08044	11.7
147.11696	9.5
149.05943	3.8
149.09627	4.4
149.13255	5.1
153.09113	7.5
155.08589	7.2
157.06503	3.9
157.10162	8.7
159.11723	8.9
161.09592	3.4
161.13301	4.7
163.11172	20.5
163.14812	2.5
165.12753	2.7
169.10129	4.1
171.10326	3.1
171.11697	13.5
173.09642	11.9
173.13287	5.4
179.14268	2.7
183.11705	4.0
185.13272	4.2
187.14903	2.9
189.11237	4.3
189.12753	10.5
191.10690	10.2
199.11235	3.1
199.14873	4.5
207.13783	16.3
217.12184	13.5
229.12236	2.8
235.13295	97.9
243.21225	3.3
253.14326	5.6
257.18948	2.8
261.22165	10.3
273.14978	4.2
309.16946	58.0
317.25134	3.2
332.18466	2.4
335.25800	93.2
477.33698	7.2
569.38354	70.6
587.27643	4.3
587.39532	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	586.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.8
55.01863	6.1
55.05503	2.7
57.03429	5.8
57.03716	1.1
61.02919	4.6
67.05505	7.3
68.99776	3.8
69.03438	34.7
69.07053	1.5
69.24212	7.8
69.24636	4.3
71.04969	4.0
73.02930	6.7
79.05490	3.3
81.03426	25.3
81.07070	8.0
83.04975	1.8
84.08115	1.4
85.02914	100.0
87.00311	2.5
87.00837	40.6
91.03955	2.2
91.05469	4.0
93.07072	7.0
93.09783	1.1
95.08606	12.6
97.02895	23.6
97.06535	1.9
97.10141	2.9
99.04460	13.5
105.01875	55.2
105.07029	5.8
107.08579	7.1
108.04423	1.7
109.02892	29.7
109.10159	6.3
113.15751	1.8
115.03874	1.2
117.01877	3.0
119.08562	6.9
121.10139	8.3
123.11728	5.2
126.05514	1.4
127.03934	74.1
129.01840	3.8
133.10123	4.8
135.11710	6.2
145.04971	31.2
147.02896	3.8
147.11711	7.3
149.13257	11.1
159.02914	13.9
161.13275	7.3
166.36034	1.3
175.14841	9.8
187.14836	2.5
189.04008	2.2
201.16411	4.4
213.03972	2.8
215.17966	1.6
223.23996	1.2
231.05042	26.7
248.07642	1.6
249.05998	8.5
257.22659	55.0
268.90735	1.7
275.20523	1.4
275.23718	32.0
285.22101	3.8
303.23123	12.6
320.10101	1.4
321.24249	4.4
383.25800	2.9
385.99188	1.3
389.20740	1.3
487.26727	3.6
505.27689	5.7
551.28333	4.4
586.28461	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	586.323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71182	0.7
53.03948	6.9
55.01872	7.6
55.05500	2.0
57.03436	6.5
61.02923	6.2
62.44763	0.8
67.05501	6.4
68.99772	3.3
69.03432	37.2
69.07094	2.1
69.73582	5.1
71.04984	4.2
73.02926	5.8
79.05482	3.9
81.03423	22.2
81.07055	11.6
83.01350	1.0
83.04947	1.0
83.08601	2.0
85.02908	100.0
87.00832	39.6
91.03956	0.9
91.05479	3.1
93.07051	9.3
95.08047	1.3
95.08612	9.2
97.02291	1.7
97.02892	25.2
97.03518	1.3
97.06532	1.0
97.10176	2.8
99.04460	12.9
103.03962	0.9
105.01871	56.1
105.07039	6.0
107.08597	5.5
108.04470	2.0
109.02885	30.7
109.10159	7.6
113.35714	0.8
114.45349	0.8
117.01864	3.1
119.08595	4.9
121.10160	7.9
123.11710	5.7
126.05518	1.7
127.03921	62.3
129.01823	3.8
131.08565	2.2
133.10133	5.6
135.11702	7.1
139.11227	1.4
145.04971	29.3
145.10118	2.2
147.02896	3.1
147.11700	6.3
149.13263	10.6
151.07446	0.8
159.02908	15.6
161.13280	8.6
163.14827	1.1
173.13333	1.8
175.14815	11.4
187.14784	2.9
189.03946	3.6
193.15912	1.8
201.16298	4.3
213.03928	4.1
231.04996	23.6
231.07248	1.4
248.07661	2.0
249.06064	8.9
257.22656	47.2
266.08597	1.3
267.21075	1.7
275.23712	26.3
285.22070	4.5
286.50888	0.9
303.23169	11.9
321.24225	4.2
322.50516	1.1
365.24866	1.4
383.25763	3.1
401.26379	1.0
467.79324	0.9
474.00580	0.9
487.27176	4.2
505.27798	3.2
551.28613	6.1
586.28668	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	587.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12774	1.1
53.03967	1.4
55.01877	1.6
55.05505	4.5
57.07077	6.5
61.85112	1.2
67.05513	9.3
69.07066	3.9
71.08634	4.2
71.52055	1.7
79.05507	8.4
81.07062	11.8
83.04974	1.9
83.08630	3.0
85.10185	3.0
88.00647	1.2
91.05482	9.2
93.07049	7.6
95.04968	2.7
95.08616	7.2
97.06536	1.7
105.07039	8.9
107.04991	1.6
107.08637	4.9
109.06532	1.5
109.10130	6.2
117.07025	5.0
118.59632	1.0
119.08605	6.8
121.06555	1.2
121.10181	4.4
123.08083	1.4
128.06229	1.4
129.07088	1.3
131.08586	4.1
133.10141	5.4
135.11751	1.9
143.08580	3.6
145.10146	10.8
147.11711	4.6
149.09691	1.5
157.10159	2.6
158.09755	1.6
159.11714	4.6
161.13235	1.5
165.09178	1.3
169.10114	1.6
170.09651	1.2
171.11768	1.3
173.13274	2.4
183.11662	1.7
185.13222	1.4
186.12750	2.1
187.08682	2.0
195.09190	2.4
196.09949	2.9
197.10774	4.6
199.08775	1.9
201.10335	2.2
208.88821	1.3
209.10754	1.9
210.11461	3.6
211.08771	1.5
211.12340	4.3
213.10391	1.5
221.15300	1.7
223.08725	3.1
223.12424	1.5
224.09404	9.2
225.10294	3.7
225.13914	3.6
227.08197	1.1
227.11885	1.8
237.10222	4.4
237.16528	1.5
238.10956	2.3
239.11826	19.2
239.18027	2.2
240.12590	5.6
241.13429	1.4
251.11871	3.9
252.12683	1.8
253.13348	19.7
257.19122	5.7
265.13242	1.5
267.14886	2.4
275.20108	11.6
286.83038	1.4
287.13962	1.9
292.14169	1.3
299.11844	2.3
301.12100	3.0
301.15442	1.3
302.13016	6.1
302.16061	1.2
303.13611	2.3
305.16565	1.4
313.27328	5.1
314.13495	1.4
316.14423	14.0
317.15259	5.4
329.16422	2.2
330.15997	8.4
331.16782	34.3
331.22714	2.1
344.17532	3.6
346.19174	100.0
354.15024	1.2
360.13510	3.6
372.17264	1.8
374.15137	2.8
375.15759	11.7
388.16791	1.6
390.18176	39.6
395.14853	2.2
396.15921	1.4
435.18338	1.9
437.16016	2.0
441.23071	1.7
467.20779	2.3
469.18729	1.3
483.19705	1.6
509.18021	1.9
511.27203	20.4
513.24933	4.7
525.21246	2.0
537.25146	10.6
539.22864	8.3
543.29694	56.9
544.29663	1.6
554.25427	3.2
555.26196	8.6
569.27588	15.0
587.28870	14.5
587.37988	1.8
587.47321	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	586.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01863	2.8
56.07933	1.3
57.03432	1.2
65.03931	4.2
67.05475	1.4
69.03422	1.4
69.50471	1.1
69.50822	7.8
70.06591	3.1
75.04472	4.7
78.04705	1.9
79.05486	2.2
81.07074	1.5
85.02914	3.6
91.05479	10.2
92.98539	1.1
93.03410	12.1
93.07053	6.7
95.04964	5.3
97.06522	1.9
103.05486	6.8
105.07054	6.0
106.04179	27.1
107.04945	1.7
108.46212	1.1
109.06560	1.3
117.03388	1.3
119.04933	3.3
121.06516	27.8
125.06008	7.9
131.04951	3.2
133.02843	3.8
133.06493	6.5
134.03636	4.8
137.05984	6.5
139.07547	2.4
147.04457	2.2
148.05205	3.6
149.05984	50.1
151.07568	2.2
153.05537	1.4
153.09099	14.5
161.05968	9.0
163.07558	3.5
166.06332	1.4
177.05472	24.0
179.07066	1.4
181.08597	21.6
191.07040	13.0
193.08630	8.1
197.02528	1.0
209.08102	100.0
285.21396	1.3
372.42404	1.8
422.82043	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49345	1.6
53.03943	2.7
55.01880	2.6
57.99040	1.7
65.03939	1.8
69.03422	2.0
70.06576	3.6
71.51140	2.5
72.08168	2.0
75.04487	4.2
75.78626	1.5
78.04707	1.9
80.69128	1.6
84.04538	1.6
84.08179	1.9
85.02936	3.8
91.05502	12.1
93.03407	10.2
93.07030	4.7
95.04964	3.9
97.06557	2.0
103.05459	4.8
105.07012	7.6
106.04186	28.7
107.04948	1.7
115.05448	2.1
119.04948	2.4
121.06509	27.3
123.04413	2.2
125.05997	7.6
127.66872	1.6
131.04930	2.7
133.02806	3.3
133.06488	6.7
134.03658	4.8
137.05943	5.0
138.06708	1.7
138.35509	1.6
139.30493	1.8
148.05220	3.1
149.05995	45.7
153.09120	12.6
161.05974	16.2
177.05486	24.4
179.07057	3.0
181.08583	20.4
191.07018	9.6
193.08617	11.7
209.08109	100.0
225.47786	1.5
274.87424	1.5
363.12796	1.8
403.13211	2.0
438.84607	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2346
Annotation	Magnesium protoporphyrin
Peak:m/z	Relative Intensity
52.14493	1.0
53.03938	2.2
55.01866	1.2
55.05508	5.5
57.07071	2.4
59.05008	1.4
67.05506	9.2
69.03432	1.3
69.07076	5.3
71.08607	1.5
79.05505	9.7
81.07057	16.8
82.07388	1.1
83.04990	2.3
83.08620	3.3
89.03387	0.9
89.06059	1.9
91.05486	17.8
92.05819	2.6
93.06483	1.6
93.07051	19.8
94.07389	1.0
94.16300	1.0
95.04984	3.4
95.08610	11.4
97.06542	2.3
97.10157	1.7
103.05450	1.8
105.07034	28.3
106.07359	4.5
107.04996	1.5
107.08600	17.4
109.06534	2.0
109.10170	8.3
111.08092	1.1
115.05436	1.4
117.07055	5.7
119.08588	26.7
120.08945	3.3
121.10145	13.7
121.15290	1.1
122.10477	2.7
123.08086	2.4
123.11713	2.3
125.09605	1.2
128.06235	2.2
129.07050	5.4
130.07755	2.0
131.08598	11.8
132.08972	1.8
133.10153	15.1
134.10480	3.2
135.08099	2.2
135.11717	4.0
137.09657	2.8
141.07016	2.7
142.07793	5.1
143.08604	8.9
144.09149	1.9
145.10141	21.2
146.10510	3.3
147.08119	2.0
147.11726	7.2
149.13356	1.1
153.06993	1.4
155.08582	4.2
156.09381	2.8
157.10135	10.2
158.10555	2.2
159.11711	9.5
160.12045	1.6
161.13290	4.1
162.13644	1.3
164.91864	1.0
165.09148	1.9
167.08618	2.4
168.09351	1.7
169.10109	7.6
170.10611	2.1
171.11713	6.1
172.12170	1.4
173.13254	5.5
174.13652	1.1
175.11166	1.4
175.14835	3.7
179.08569	1.7
180.09305	1.3
181.10115	3.8
182.10783	1.6
183.11749	5.8
184.12349	1.9
185.13254	4.0
187.14885	2.7
191.14354	1.9
193.09985	1.5
194.10828	1.9
195.11783	5.0
196.12265	1.5
197.13293	6.9
198.13579	1.6
199.14864	2.5
200.15041	1.1
201.16492	1.6
203.14383	1.8
206.11055	1.0
207.11635	1.9
208.12175	1.7
209.10797	1.6
209.13293	4.0
210.13791	1.9
211.14813	3.5
212.15271	1.5
213.16412	1.4
217.15866	1.3
220.12717	0.9
221.10867	1.4
221.13332	2.0
221.15445	3.0
222.13818	1.5
222.15805	1.6
223.14966	2.6
224.15503	1.7
225.16429	3.8
227.18102	1.3
233.13156	1.5
235.14774	1.3
236.13139	1.5
237.13995	2.1
237.16420	1.8
238.14545	1.5
247.12416	1.3
249.14050	2.5
251.15561	1.4
257.18951	1.1
261.13739	2.8
261.16437	1.2
262.14587	1.8
264.12738	1.2
265.19391	1.1
274.13586	1.0
275.20264	1.2
279.15030	1.4
295.20670	1.1
311.29382	2.3
314.16376	1.3
328.18051	1.0
330.19788	1.2
336.15137	1.5
339.16296	2.7
340.17816	2.1
342.19641	1.5
350.16275	1.1
351.17157	1.4
352.17825	1.9
353.17712	4.4
354.18604	5.1
356.17227	1.5
358.19193	1.9
363.16168	2.3
363.26715	1.7
364.17953	1.7
365.17682	3.0
367.19427	2.1
368.20251	2.0
369.20847	9.0
377.17612	1.3
379.19562	5.1
381.16907	1.6
381.21078	1.8
382.17798	1.4
389.17612	1.3
391.19397	1.5
393.17014	1.4
394.18167	2.1
395.18503	5.0
396.19550	1.7
397.20355	6.2
398.22119	1.8
403.30032	1.4
404.30539	1.6
407.18951	3.3
408.20773	1.6
409.20508	6.3
410.21124	10.2
411.17880	1.4
412.20258	1.7
419.18723	2.5
420.19470	1.4
423.22177	2.4
425.19672	7.4
425.23703	6.9
427.21490	2.4
430.21085	2.1
435.22009	10.1
437.19580	4.9
438.20425	2.3
441.23578	1.4
442.23779	3.1
448.19034	1.9
451.21371	5.2
452.21661	1.6
453.23398	20.3
455.20911	2.4
461.20193	1.4
462.21011	1.1
463.21329	2.9
469.22211	2.0
470.23141	5.4
479.20712	1.6
481.22391	31.1
482.22961	1.2
483.20496	1.3
496.21674	1.1
497.22015	2.9
498.22662	46.0
499.23102	1.9
507.20288	3.8
525.21301	28.8
526.22021	2.0
566.41302	1.2
567.22430	2.0
568.20630	2.7
584.41486	2.7
584.56085	4.0
585.23462	100.0
585.42865	4.2
586.24182	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	584.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.1
55.05509	15.0
56.02592	1.7
57.07071	9.8
59.04996	3.4
65.03924	3.1
67.05507	24.4
69.07070	16.5
69.22591	19.0
69.61858	1.8
70.06596	3.5
71.08624	2.8
75.77876	1.7
79.05493	34.3
80.06290	2.2
81.03435	2.1
81.07056	61.3
83.04987	3.9
83.08613	6.6
85.06536	4.2
85.10165	2.2
88.07644	3.5
89.06042	18.4
91.05479	43.8
92.35088	2.0
93.07042	67.9
95.04967	13.2
95.08601	34.2
97.06541	3.9
97.10162	2.8
103.05442	6.5
105.07031	100.0
107.08595	48.0
109.06539	5.9
109.10154	19.6
111.08051	2.4
113.28979	2.0
115.05437	4.4
116.06241	2.9
117.07029	22.4
119.06120	2.1
119.08583	93.0
121.06535	4.6
121.10139	48.5
123.08112	11.1
123.11708	7.4
125.09617	5.0
128.06229	8.4
129.06982	13.9
130.07777	8.5
130.08630	2.1
131.08563	40.0
133.08667	12.6
133.10127	62.9
133.11108	4.0
135.08051	4.2
135.11694	21.7
137.09622	6.4
139.11182	3.4
141.07005	7.0
142.07732	14.0
142.32668	1.8
143.08571	33.4
144.09358	9.3
145.10123	76.0
147.08130	4.4
147.11702	30.6
149.09622	3.9
149.13295	9.4
151.11200	5.0
153.07034	4.0
154.07738	3.4
155.08571	13.0
156.09325	8.9
157.08958	3.6
157.10132	42.8
158.10907	6.1
159.11722	35.4
161.09595	3.4
161.13264	17.0
163.14845	2.7
165.07013	5.2
165.08905	2.1
167.08574	7.8
168.09343	5.2
169.10147	31.9
170.10887	6.0
171.11684	25.0
172.12524	3.2
173.09700	2.1
173.13263	17.6
175.14827	13.4
177.11197	6.0
177.12714	3.4
178.07625	2.6
179.08554	6.6
179.14380	3.0
180.09323	3.9
181.10133	11.9
182.10945	7.5
183.11710	24.9
184.12526	3.5
185.13220	12.6
187.11275	4.1
187.14815	10.2
189.12726	3.8
191.14333	5.3
193.10141	9.9
193.15868	2.9
194.10947	7.9
195.11711	16.4
196.12434	4.2
197.13229	17.9
199.11148	2.3
199.14844	6.4
201.12735	3.5
201.16461	4.7
206.10973	2.9
207.11742	8.4
208.12453	6.9
209.13263	17.2
210.13916	4.3
211.14853	14.5
213.16394	3.9
217.15785	2.5
219.11555	2.3
220.12399	2.1
221.13297	8.4
221.15268	2.1
222.14024	2.6
223.14818	13.3
224.15584	3.0
225.12987	2.7
225.16347	24.6
226.17284	3.2
227.14423	2.8
227.17889	3.0
233.13287	4.7
235.14882	6.9
236.15677	3.0
237.16463	8.2
239.18001	5.2
245.18733	3.3
247.14760	2.4
249.16426	5.6
251.18085	4.1
256.26563	3.0
261.16278	2.6
263.17938	5.1
265.19458	4.5
269.18991	3.6
271.20764	2.3
275.17813	3.4
283.26422	3.3
289.19601	3.5
293.22888	2.4
300.28983	7.8
309.22177	3.8
311.23672	4.8
311.29468	9.5
324.24353	2.5
335.23734	2.3
349.25269	2.1
363.26962	5.3
366.34445	2.0
371.22726	4.8
385.28949	4.7
403.30124	9.5
424.13263	2.2
523.39093	4.7
541.40002	14.5
584.28320	2.7
584.41870	6.8
584.56110	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	584.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
55.01867	2.6
55.05506	13.6
55.63324	1.9
57.07087	10.3
59.04992	5.0
65.03935	2.7
65.04980	2.0
67.05503	25.4
69.03418	4.2
69.07072	15.0
69.23339	19.9
71.04990	2.1
71.08649	2.7
79.05501	30.7
80.06284	5.1
81.07062	49.1
83.04972	7.5
83.08614	8.1
85.06540	3.1
87.04478	2.7
89.06036	13.2
91.05482	50.1
92.06259	2.6
93.07050	61.6
95.04967	34.3
95.08614	28.1
97.06540	4.7
103.05489	5.1
105.07034	100.0
106.07848	3.2
107.04980	3.6
107.08604	50.4
109.06525	8.9
109.10162	20.9
111.08102	4.3
112.22039	1.8
115.05454	8.7
116.06194	3.5
117.07024	28.1
119.08586	89.0
120.09344	7.5
121.06493	4.4
121.10145	37.9
123.08084	33.1
123.11698	6.4
125.09636	2.3
128.06219	15.7
129.07021	22.4
130.07822	11.8
131.08578	46.1
132.09384	10.0
133.06516	3.4
133.08589	8.9
133.10138	53.3
135.08115	12.4
135.11722	15.0
137.09639	12.1
138.10411	9.3
141.06993	10.1
142.07805	21.7
143.08562	49.9
144.09372	12.2
145.06451	2.6
145.10129	89.4
146.10826	4.3
147.08012	9.6
147.11691	25.0
149.09622	6.6
149.13251	3.2
151.11214	6.6
154.07780	3.3
155.08566	15.5
155.10635	3.5
156.09370	18.8
157.10141	54.3
158.10941	13.5
159.08023	7.9
159.11707	39.2
160.08755	5.6
160.12402	3.1
161.09598	8.0
161.13243	7.6
163.11205	6.9
165.06978	6.3
165.09128	7.3
166.07816	4.0
167.08554	9.7
168.09346	6.2
169.10159	29.0
170.10945	10.8
171.11700	36.1
172.12386	5.9
173.09651	3.3
173.13266	22.4
174.13968	3.4
175.11147	8.2
175.14853	6.7
177.11244	2.9
177.12656	3.4
179.08620	10.6
180.09290	4.7
181.10121	18.9
181.12236	3.5
182.10884	8.9
183.11700	24.6
184.12474	6.4
185.09698	3.0
185.13257	17.2
186.10336	3.1
186.14095	4.1
187.11163	4.8
187.14827	9.5
189.12717	8.1
190.13519	2.7
191.14357	6.9
192.09399	2.6
193.10191	10.0
193.12193	4.4
194.10870	7.6
195.11638	20.4
196.12495	7.9
197.13268	28.6
198.13924	2.6
199.11194	5.7
199.14897	10.8
201.12624	2.1
201.16473	3.8
203.14352	7.9
206.10896	3.1
207.11671	12.9
207.13599	4.4
208.12469	4.4
209.13266	26.6
210.13879	4.3
211.11206	4.7
211.14839	14.3
213.16373	5.9
215.14259	3.8
217.15915	2.6
219.11746	4.3
219.13957	2.8
220.12506	3.2
221.13258	9.3
221.15384	13.5
223.14790	14.5
225.12741	3.0
225.16391	8.2
227.14452	3.2
233.13245	5.6
233.15401	2.7
234.13998	4.5
234.16190	3.3
235.14784	6.0
236.15620	3.2
237.16437	6.1
239.14444	2.4
239.17914	4.5
247.14745	6.4
247.16983	3.8
249.16318	4.6
251.17871	3.8
259.16992	3.9
261.16312	3.4
263.17920	3.8
265.19464	3.4
266.20279	3.6
271.17206	2.3
274.19281	3.3
275.17911	3.5
286.19263	3.0
293.18713	2.6
299.20111	3.3
300.20947	3.1
303.20996	2.2
311.29401	5.6
319.20441	2.9
325.21503	3.8
337.21655	3.5
337.25317	7.0
339.23273	2.7
352.24033	21.2
354.25433	8.9
365.24768	6.3
371.22610	5.5
446.31708	8.3
474.34491	3.3
491.35074	4.7
492.35635	7.6
504.36133	22.6
584.42218	25.2
584.55981	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	584.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.05513	17.4
57.07068	7.6
59.05011	3.8
62.28755	1.6
65.03925	3.5
67.05509	23.6
69.03408	1.7
69.07077	14.8
69.16839	8.7
69.17265	9.1
71.04984	1.6
71.08640	3.8
77.03916	2.2
79.05072	2.7
79.05497	32.7
81.07063	65.4
83.04977	5.3
83.08607	7.1
85.06523	4.1
85.10190	2.2
88.07641	3.1
89.06015	2.9
91.04912	2.2
91.05489	43.9
93.07050	64.9
93.07645	3.2
94.07370	2.2
95.04976	9.6
95.08614	28.2
96.08946	2.1
97.06547	7.1
99.19257	1.8
103.05481	3.4
105.04511	2.7
105.07038	100.0
107.08604	44.2
108.08913	1.8
109.06522	6.7
109.10155	23.0
109.54157	2.1
111.08109	3.8
111.53213	1.7
115.05486	4.8
116.06289	1.9
116.55975	1.8
117.07032	17.0
119.08589	89.3
121.06509	2.9
121.10157	46.8
121.11048	2.8
123.08078	8.5
123.11712	9.8
125.09677	2.6
128.06223	8.4
128.69080	1.8
129.07022	15.3
130.07771	9.6
131.08580	36.4
132.09352	3.9
133.08620	2.5
133.10146	54.9
135.08086	5.1
135.11700	21.9
137.09610	9.3
139.11183	5.4
141.07005	6.8
142.07800	14.9
143.08565	29.3
144.09450	8.1
145.10132	69.4
145.91881	1.8
146.10794	1.6
147.08025	2.3
147.11690	31.6
149.13284	4.2
151.11226	4.3
153.06979	1.6
154.07777	3.4
155.08546	12.9
156.09358	10.7
157.10138	38.1
157.11336	3.1
158.10826	3.4
159.11707	34.5
161.09615	6.0
161.13272	17.7
163.11057	2.2
165.06917	4.3
166.07816	3.0
167.08582	8.0
168.09335	3.9
169.10139	28.1
170.10875	5.8
171.11710	22.1
172.12459	2.1
173.09679	3.3
173.13289	16.9
175.14821	12.5
177.12683	2.0
179.08667	3.7
179.14317	2.9
180.09395	2.6
181.10164	11.5
182.10873	6.3
183.11714	27.6
184.12366	2.4
185.13217	11.3
186.13992	2.0
187.11159	2.5
187.14850	7.3
189.12761	2.4
191.14320	6.0
191.25500	1.7
192.09348	2.2
193.10098	7.1
194.10919	5.2
195.11684	14.2
196.12398	5.0
197.13310	15.9
199.11127	2.2
199.14835	4.1
201.12685	2.1
201.16394	6.7
203.14319	4.9
205.10085	2.3
207.11726	8.5
208.12486	2.4
209.13297	14.6
210.14006	3.4
211.14847	11.2
213.12840	1.7
213.16447	6.0
219.11775	3.0
219.17561	2.2
221.13245	8.3
221.15271	3.3
223.14818	12.3
224.15556	3.0
225.12880	2.1
225.16403	22.1
227.14310	2.6
227.17822	3.2
233.13332	2.9
235.14792	7.3
237.16382	9.1
239.17992	2.7
241.19270	2.2
247.14917	5.3
248.15393	1.8
249.16415	5.3
251.18031	4.7
255.17509	1.8
261.16321	2.9
263.17880	4.1
265.19547	4.4
273.16251	1.9
275.18073	1.8
277.19693	2.0
285.21848	2.9
291.21014	3.4
293.22784	2.8
300.29071	2.7
307.20477	1.9
309.22003	2.9
311.23767	5.1
311.29556	2.2
317.22675	2.3
323.23743	3.4
324.24603	2.6
335.23587	2.9
345.25848	2.1
349.25345	2.3
363.26807	6.6
385.28433	3.6
403.29959	14.2
424.22305	2.0
446.32623	2.4
449.33856	2.1
481.22626	2.8
498.22635	4.0
523.39032	2.6
524.23730	2.9
525.21375	2.0
541.40265	11.6
568.83246	2.0
584.26184	8.2
584.42181	9.4
584.55884	12.6
585.23273	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	584.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.2
55.05509	16.9
57.07080	20.7
59.05002	1.9
65.03938	2.3
67.05503	23.7
69.03438	4.9
69.07067	15.2
69.93748	3.5
69.94154	9.1
71.04990	2.0
71.08629	11.0
72.83546	2.0
73.46594	2.0
79.05492	31.2
80.06279	5.0
81.07060	47.8
81.07520	2.6
83.04984	6.9
83.08628	8.2
83.33040	1.7
85.06535	3.6
85.10226	5.0
87.04507	3.1
89.06033	46.4
91.05486	46.9
91.06017	3.5
92.06284	2.7
93.07047	66.9
95.04976	43.0
95.08624	30.0
97.06550	8.0
97.10150	4.3
103.05479	4.2
105.07035	100.0
106.07850	7.0
107.04919	2.6
107.08602	52.5
107.09309	3.7
108.96136	2.4
109.06541	6.2
109.10160	30.8
111.08112	3.9
115.05486	7.9
115.99344	1.9
116.06271	2.9
117.07023	31.2
117.09168	3.6
118.07768	2.8
119.08585	99.9
120.09424	4.1
121.06549	5.7
121.10143	39.5
123.08099	25.4
123.11738	6.6
125.09639	4.4
128.06229	14.6
129.07024	20.3
130.06912	2.2
130.07764	10.8
131.08569	48.9
131.09509	2.6
132.09348	7.6
133.06514	3.1
133.08612	23.7
133.10139	58.3
133.11113	4.0
134.10966	4.3
135.08081	9.2
135.11696	21.0
137.09621	14.9
138.10406	7.9
139.11201	2.7
141.07042	8.1
142.07780	20.0
143.08575	52.4
144.09389	12.8
145.06535	2.6
145.10129	97.7
146.10925	5.0
147.08060	5.5
147.11690	34.2
149.09659	4.4
149.13316	5.1
151.11200	5.2
153.06972	2.2
154.07841	2.5
155.08562	17.8
156.09319	19.1
157.10126	51.5
158.10999	12.6
159.08092	6.8
159.11691	37.4
160.08907	2.3
160.12451	4.0
161.09691	8.9
161.13222	12.9
163.11200	7.8
165.07030	5.4
166.07832	3.8
167.08604	9.0
168.09360	7.5
169.10152	30.6
170.10956	9.8
171.11703	38.5
172.12473	3.8
173.09639	5.3
173.13271	26.0
174.10442	2.1
174.13950	3.4
175.11189	4.9
175.14818	10.1
177.11256	10.3
177.12779	3.1
178.07819	2.8
179.08553	11.9
180.09404	7.1
181.10138	18.4
182.10918	8.8
183.11729	27.2
184.12479	9.1
185.09657	3.4
185.13271	22.8
186.13962	5.0
187.11230	6.2
187.14877	10.7
189.12752	10.3
191.14351	8.0
192.09389	4.0
193.10207	10.1
194.10941	9.4
195.11728	20.3
196.12486	7.3
197.13271	30.9
198.14015	3.3
199.11249	4.5
199.14876	14.0
200.15579	2.5
201.12810	5.0
201.16364	4.4
203.14384	5.7
206.10931	4.8
207.11749	14.7
207.13666	3.4
208.12442	4.4
209.13287	20.7
210.14034	3.7
211.11189	2.5
211.14806	20.8
213.12874	2.6
213.16425	4.6
215.14351	4.8
219.11684	3.6
220.12541	4.0
221.13342	9.8
221.15364	3.7
222.14046	2.5
223.14827	14.8
224.15619	4.5
225.16400	12.9
227.14288	2.7
233.13303	5.4
235.14911	9.1
236.15511	2.7
237.16451	8.4
239.18018	3.3
247.14844	4.4
249.10759	2.6
249.16382	4.4
251.18083	4.7
253.19643	5.8
260.15720	2.7
261.16418	5.0
263.18039	5.6
265.19470	4.6
269.18970	3.2
275.17917	4.9
277.19644	2.5
281.19089	4.4
285.28064	3.3
291.17728	2.4
291.21191	4.0
291.33926	2.7
300.29044	3.8
311.29425	5.2
337.25128	10.2
353.17386	2.5
354.25476	16.8
368.19623	4.1
371.22855	4.3
382.21350	2.9
403.29984	4.2
406.17163	2.5
410.20413	3.0
438.23764	2.6
446.31842	9.1
454.20221	7.5
468.22214	2.3
469.22086	8.8
470.26303	5.1
474.34808	2.7
480.24881	2.4
492.35645	13.1
497.22772	5.8
507.26712	2.4
512.27563	2.6
514.25153	7.8
541.24152	6.0
542.16644	4.1
542.24756	64.7
543.24872	3.5
556.26410	19.5
567.44751	4.1
584.27002	31.7
584.35016	10.2
584.43591	29.8
584.55774	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	584.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.8
53.03942	7.6
55.01863	2.1
55.05516	17.7
57.07066	7.5
58.67576	1.6
59.04994	2.1
65.03935	2.1
67.05507	23.6
69.03441	2.3
69.07071	14.3
69.55815	5.3
69.56231	4.9
70.06584	2.5
71.04967	2.1
71.08665	2.7
73.74680	1.6
79.05501	29.5
81.06587	3.4
81.07060	61.9
82.07411	1.9
83.04965	4.7
83.08635	9.4
85.06556	3.2
89.06030	3.6
91.05489	38.6
93.07050	66.3
95.04969	9.4
95.08601	29.9
97.06538	4.0
97.10154	2.3
103.05511	3.7
105.07035	100.0
107.04948	1.8
107.08591	38.5
109.06506	6.3
109.10157	22.2
111.08095	4.3
115.05471	5.5
117.07016	19.5
119.08587	87.5
120.08917	4.7
121.06509	2.0
121.10144	44.9
123.08073	10.6
123.11736	9.1
125.09637	2.9
128.06224	7.4
129.07018	14.2
130.07845	9.5
130.72221	1.6
131.08566	40.1
132.09370	1.8
133.10141	58.3
134.10497	1.8
135.08076	4.9
135.11678	21.1
137.09572	8.9
138.10384	2.8
139.11201	4.0
141.07010	6.5
142.07782	14.4
143.08571	29.7
144.09325	5.7
145.10132	71.6
146.07085	2.1
146.10573	3.1
147.08023	3.2
147.11700	33.7
149.09645	2.9
149.13251	6.5
151.11145	1.8
154.07767	3.9
155.08580	12.9
156.09396	10.0
157.10127	43.6
158.10910	5.9
159.08058	2.4
159.11707	37.9
161.09679	4.4
161.13284	18.8
163.11194	2.9
165.06960	3.2
165.09106	1.9
167.08563	8.0
168.09337	5.5
169.10143	27.9
170.10851	7.6
171.11693	20.4
172.12355	1.8
173.09631	2.1
173.13268	19.0
175.11165	2.1
175.14842	8.9
179.08530	6.8
179.14333	3.6
180.09401	3.6
181.10086	11.4
182.10947	8.0
183.11703	23.3
184.12344	3.4
185.09695	1.7
185.13235	13.3
187.11212	2.2
187.14868	6.3
189.12764	2.6
191.14304	5.0
192.09349	2.4
193.10114	6.6
193.15762	2.3
194.10895	5.8
195.11708	15.7
196.12448	7.1
197.13243	16.5
198.13802	1.8
199.11154	2.6
199.14825	5.3
201.12790	1.9
201.16380	7.2
203.14194	2.5
206.10921	3.3
207.11725	9.4
208.12515	4.7
209.13248	15.7
210.13911	2.1
211.14847	14.7
213.16376	4.6
219.11705	2.6
220.12494	2.5
221.13246	8.4
221.15413	4.0
222.13942	2.9
223.14795	11.1
224.15569	3.2
225.16403	28.3
227.14314	2.6
227.17928	2.5
229.15884	1.8
231.11594	2.1
232.12236	2.0
233.13234	4.5
235.14766	7.5
237.16374	7.7
239.17938	3.7
241.19456	2.1
245.13104	2.2
247.14790	3.9
249.16417	4.0
251.17938	5.3
253.19611	1.7
257.19022	2.3
259.14804	2.0
261.16385	4.4
263.17978	5.1
269.19098	3.4
271.20676	1.9
273.16479	2.0
276.18680	2.6
279.17136	1.8
281.19009	2.1
283.20395	2.2
291.21094	2.5
293.19220	2.7
293.22714	3.8
297.22083	2.4
300.28894	4.4
303.21149	3.5
309.21936	2.0
311.23590	5.0
311.29538	7.8
317.22635	1.8
323.23666	3.0
324.24515	1.9
335.23633	3.4
342.72226	1.8
345.25970	2.0
361.86426	1.7
363.26865	6.8
403.29980	12.2
436.21927	2.2
449.34305	3.0
523.39209	2.8
524.23743	3.3
530.24017	1.9
541.40405	12.2
566.39941	2.2
584.25861	5.4
584.42474	10.0
584.55884	19.0
585.23615	3.5
585.37354	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.05510	2.6
61.02917	2.3
67.05492	4.1
69.03432	7.4
69.07085	1.5
71.05006	1.5
71.51397	1.5
75.86831	1.1
79.05478	4.1
81.03424	6.2
81.06602	1.3
81.07063	20.0
83.04965	1.6
85.02918	6.8
85.06562	1.6
87.00824	3.3
91.05489	7.5
93.07046	13.2
95.08615	16.1
97.02902	17.6
97.06612	1.1
99.04475	2.5
105.01868	3.9
105.07034	33.0
107.08601	12.5
109.02888	3.6
109.10164	9.4
117.07023	2.1
119.08586	18.0
121.10178	6.0
123.11687	2.6
127.03927	10.9
129.07004	1.1
131.08551	7.7
133.10110	9.6
135.11664	1.5
137.13245	2.0
142.07739	1.5
143.08569	8.2
145.04956	9.4
145.10127	12.3
147.11705	8.8
149.13232	3.4
157.10135	4.2
159.11743	9.5
161.13245	14.0
163.14854	3.2
171.11690	3.6
173.13263	10.4
175.14816	7.4
185.13245	3.1
199.14821	17.0
205.12259	1.5
207.13773	2.9
209.13306	1.6
213.16431	4.3
221.15401	1.8
224.51010	1.1
227.17897	2.4
231.05038	6.9
245.15338	7.4
249.06097	2.2
255.21094	68.9
259.17014	1.4
283.20499	8.1
301.21631	100.0
302.21796	1.8
563.65192	1.4
584.23590	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	584.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.0
55.01864	5.2
57.03446	1.9
59.03295	2.0
61.02930	3.1
65.19650	1.7
67.05505	5.1
69.03431	11.3
69.07067	3.8
70.04932	1.9
70.05267	8.0
71.04991	2.8
73.02905	2.9
79.05503	2.9
81.03412	13.7
81.07063	12.5
85.02911	31.1
87.00829	13.3
91.05487	5.5
93.07072	9.3
95.08610	10.2
97.02898	17.6
97.06525	2.3
98.20848	2.5
99.04448	6.0
105.01886	14.7
105.07042	17.1
107.08600	19.1
108.04473	3.3
109.02882	17.4
109.10164	14.4
119.08585	32.5
121.10154	6.3
127.03931	31.7
131.08580	9.7
133.10143	11.4
135.11703	3.4
145.04974	12.0
145.10103	13.9
147.02832	1.8
147.11687	17.0
149.13263	2.7
157.10164	5.5
158.23349	2.2
159.02914	9.2
159.11711	12.4
161.13269	9.0
163.14787	3.9
170.35886	2.3
173.13290	5.0
175.14851	2.8
179.10677	2.5
185.13316	4.7
193.12257	5.0
199.14731	9.1
213.03983	2.1
213.16431	5.6
227.17990	6.7
230.09023	1.8
231.04987	7.1
234.45067	1.6
245.15410	2.7
255.18382	2.6
255.21086	52.6
255.23642	3.5
267.80814	1.9
272.28394	1.9
273.18475	1.8
283.20590	6.7
301.21628	100.0
302.21890	2.3
440.28000	1.9
580.27203	1.9
584.30371	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	584.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01855	0.7
55.05512	1.7
56.23339	0.6
57.03430	0.9
60.94730	0.6
67.05513	4.7
69.03436	7.1
69.07066	2.2
69.72618	0.6
70.67668	2.1
71.05011	1.3
71.75339	0.7
73.32124	0.6
79.05512	3.8
81.03411	2.3
81.07063	21.3
83.08613	1.0
85.02911	7.4
87.00835	2.6
91.05501	5.4
93.07054	15.0
95.08615	14.2
97.02886	9.4
97.06546	0.6
97.10147	0.8
99.04430	2.3
105.01871	1.9
105.07039	30.0
107.08615	10.8
109.02893	1.7
109.06467	0.7
109.09465	1.0
109.10162	7.6
117.07021	1.7
119.07814	1.2
119.08598	16.7
121.10150	6.0
123.11699	2.0
127.03922	10.0
131.08595	7.3
133.10133	9.9
135.11668	2.1
137.13249	1.4
141.09105	0.7
143.08556	8.9
145.04984	5.9
145.10136	12.0
147.11697	10.1
149.13277	2.6
157.10141	5.4
159.11710	10.6
161.13272	13.8
163.14819	2.9
169.10240	0.8
171.11710	2.9
173.13286	10.0
175.14845	7.2
176.09535	0.7
179.10716	1.1
183.11580	1.0
185.13258	3.4
187.14798	1.7
191.14233	0.7
193.12308	2.2
199.14830	17.4
203.14352	0.9
205.12244	1.5
207.13866	3.7
213.16441	5.0
219.13780	1.2
221.15327	2.6
221.95390	0.7
227.14325	0.9
227.17964	3.9
231.05049	3.7
245.15378	8.1
249.06058	3.3
255.21100	60.8
256.21497	1.4
259.17038	0.8
265.19406	1.4
266.08789	0.9
273.18512	2.2
273.22180	1.5
283.20624	6.7
301.21637	100.0
302.21991	2.0
340.49658	0.7
379.62601	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.6
55.05516	19.9
57.07082	14.9
59.04993	6.1
65.03939	5.0
67.05504	30.1
69.03434	8.3
69.07073	20.2
69.30057	7.3
69.30484	10.1
74.19632	1.9
77.03943	2.6
79.05492	32.5
80.06317	1.8
81.03426	3.7
81.07063	36.2
83.04984	6.5
83.08620	8.9
85.06559	11.5
86.98280	2.0
87.38360	2.1
91.05485	53.6
93.06480	4.3
93.07051	65.3
94.87780	1.8
95.04987	13.1
95.08608	47.0
97.06559	9.5
103.05476	7.1
105.04578	2.2
105.07038	79.0
107.04929	2.2
107.08594	51.9
109.06538	10.0
109.10167	27.2
111.04458	2.2
111.08073	3.6
115.05450	5.5
116.06258	3.4
117.07017	21.0
119.04950	2.4
119.06128	2.5
119.08592	93.6
121.06507	8.1
121.10149	52.8
123.08089	18.2
123.11702	5.7
125.05985	4.1
125.09646	2.0
127.58389	2.0
128.06239	15.8
129.07027	16.3
130.07777	9.2
131.08577	40.0
133.06534	3.5
133.10136	40.3
135.08051	13.4
135.11713	17.7
137.09610	13.6
139.11206	3.9
141.06989	11.7
142.07780	29.4
143.08559	52.7
144.09299	9.5
145.10130	60.3
147.08040	24.0
147.11702	16.7
149.09659	9.9
149.13229	4.7
151.07578	19.3
151.11229	2.4
153.07027	5.5
154.07771	3.1
155.08557	22.2
156.09361	26.0
157.10133	60.4
158.10948	8.0
159.08078	5.2
159.11717	34.9
161.09657	7.0
161.13297	8.6
163.11122	10.3
165.07004	6.9
165.09113	37.5
166.07770	6.3
167.08563	12.8
167.10648	11.0
168.09393	14.1
169.10136	34.2
170.10947	10.5
171.11682	31.0
173.09729	3.2
173.13263	23.7
175.11234	3.7
175.14838	10.8
177.12825	2.5
178.07803	3.3
179.08537	19.0
179.14276	2.3
180.09338	7.7
181.10175	19.8
181.12137	9.4
182.10930	8.8
183.11699	35.1
184.12541	8.6
185.09547	2.6
185.13245	21.0
187.11244	3.8
187.14813	9.6
189.12769	8.5
191.08646	2.9
191.14343	9.7
192.09366	7.6
193.10184	16.4
194.10910	13.3
195.11691	28.8
196.12523	8.8
197.13243	24.7
199.11203	4.0
199.14877	15.5
201.12877	3.2
201.16339	4.2
203.08530	4.1
203.14349	13.8
205.10162	6.1
206.10950	9.3
207.11725	20.6
207.13837	6.9
208.12549	9.3
209.13252	31.4
209.15071	2.7
210.14166	4.8
211.14906	13.2
213.12737	4.2
213.16406	4.4
215.14442	3.5
216.09398	2.3
217.10121	4.5
217.15939	9.1
218.10973	2.6
219.11743	9.9
220.12570	7.4
221.13272	16.3
221.15440	72.2
222.14012	5.7
223.11357	3.0
223.14812	16.8
225.12881	3.3
225.16447	7.2
227.14326	4.0
229.10413	2.0
229.15942	3.7
230.10878	2.6
231.11710	8.5
231.17636	2.6
232.12494	5.6
233.13275	11.1
233.15436	5.2
234.14063	3.9
235.14839	12.5
236.15668	2.6
237.12672	2.8
237.16437	9.1
238.17068	2.4
239.18054	5.5
242.89653	1.8
243.11775	2.6
244.12584	2.1
245.13266	8.2
246.14078	6.4
247.14856	13.7
247.17116	4.5
248.15742	3.7
249.16487	11.1
250.17242	3.5
251.18030	5.8
257.13345	2.5
257.18985	11.0
259.14841	7.1
260.15717	4.2
261.16302	12.2
262.17200	3.5
263.18076	7.1
264.63699	2.4
265.16959	1.9
265.19412	11.5
269.19037	6.2
271.20563	3.0
272.15781	3.0
273.16422	5.3
274.16998	4.3
275.17941	15.0
276.18802	2.3
277.19586	6.5
279.17715	2.4
281.19128	3.6
283.20569	15.1
285.16406	3.0
287.20242	4.7
288.18585	2.8
289.19324	4.3
293.19113	2.4
295.20694	4.0
297.22266	6.1
299.20346	2.8
301.19342	4.2
319.20306	2.5
327.46481	2.0
329.22464	3.0
331.24335	5.2
335.23795	2.6
343.24216	3.1
347.23642	2.7
349.25250	4.9
375.26791	8.3
381.25967	2.4
401.28619	2.3
403.30093	5.5
491.35114	8.6
503.35403	4.4
509.34418	4.0
547.39148	4.5
565.40149	19.8
583.41498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.2
55.05518	15.1
57.07069	10.9
59.04999	3.1
65.03931	4.6
67.05505	29.2
69.03433	8.7
69.07069	21.8
79.05499	33.8
81.03452	2.5
81.07059	37.7
83.04988	5.3
83.08626	9.4
85.06543	6.8
91.05486	45.2
93.07044	58.8
95.04986	9.3
95.08604	37.0
95.10429	2.4
97.06544	4.3
97.10123	3.0
97.56155	2.4
98.21484	7.3
101.31449	2.4
103.05462	2.4
105.07034	85.5
107.08595	47.8
109.06536	9.3
109.10160	25.1
111.08132	3.3
115.05479	6.5
117.07019	17.9
119.08588	78.2
121.06543	6.2
121.10138	55.5
123.08076	16.4
123.11724	5.0
128.06215	16.5
129.06998	15.9
130.07780	10.2
131.08578	37.6
133.10143	38.7
135.08076	13.4
135.11700	10.9
137.09621	15.5
141.07031	7.4
142.07784	18.3
143.08562	42.5
144.09325	4.7
145.10124	49.9
147.08063	18.8
147.11674	13.7
149.09659	7.1
149.13341	3.9
151.07553	17.5
153.06993	6.2
154.07829	3.6
155.08551	17.5
156.09348	20.4
157.10138	58.2
158.10945	8.2
159.08095	6.8
159.11687	27.8
161.09674	6.7
161.13286	10.0
163.11217	8.1
165.07039	8.7
165.09119	26.0
166.07816	5.6
167.08591	13.9
167.10709	18.0
168.09381	8.7
169.10133	26.8
170.10970	12.8
171.11696	33.6
173.09653	2.7
173.13242	23.6
175.11179	2.8
175.14853	11.4
178.07835	3.7
179.08543	14.9
180.09358	6.0
181.10138	17.4
181.12320	5.6
182.10953	9.3
183.11752	28.6
184.12524	6.8
185.09544	2.9
185.13333	18.6
187.14874	10.7
189.12846	7.1
191.14397	7.8
192.09377	3.2
193.10164	17.8
194.10829	11.8
195.11688	26.2
196.12445	8.5
197.13292	23.1
199.14854	17.0
201.16394	3.9
203.14351	14.3
206.10976	8.5
207.11771	17.5
207.13857	8.6
208.12517	10.9
209.13271	31.8
211.14771	17.7
213.12756	4.5
213.16504	5.0
215.14346	4.4
217.15924	9.5
218.10913	4.4
219.11714	10.3
220.12453	6.0
221.13275	20.2
221.15442	52.6
222.14088	5.7
223.14867	9.5
224.15569	2.9
225.12596	2.9
225.16513	6.1
227.14433	3.9
231.11707	8.0
231.17586	2.6
232.12511	6.1
233.13272	11.0
233.15385	8.1
234.13982	5.6
235.14838	10.7
236.15631	4.6
237.16446	6.4
239.17917	3.9
245.13341	7.5
246.14008	4.4
247.14885	7.4
247.17117	3.5
249.16466	11.3
251.17944	6.0
253.15855	4.0
255.17256	3.0
257.19040	4.7
258.14069	4.3
259.14838	7.1
261.16412	9.3
263.18027	8.4
265.19571	3.8
269.19247	3.2
273.16348	4.6
275.17987	13.6
277.19632	6.2
281.19043	2.9
283.20477	14.6
285.16306	4.0
287.20297	5.6
289.19415	5.8
291.17673	3.3
295.20703	7.5
297.22241	4.9
299.20514	3.1
301.19257	4.4
327.21225	2.7
331.24384	6.3
342.07443	2.6
349.25409	4.8
357.25861	2.8
375.26904	3.5
403.30054	6.9
491.35349	5.8
509.34644	3.2
565.40234	25.5
583.41510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
55.05519	10.8
57.07074	6.4
59.05011	2.2
65.03947	1.7
67.05512	19.9
69.03433	4.8
69.07085	12.5
70.45499	3.8
70.45868	2.8
79.05502	21.3
81.07067	26.3
83.04979	8.2
83.08614	7.5
85.06547	5.5
91.05486	36.2
91.06026	2.8
93.07054	42.0
93.92590	1.6
95.04985	6.5
95.08612	26.3
95.86849	1.6
97.06557	5.2
97.10213	2.0
103.05478	2.5
103.92643	1.7
105.07047	53.9
107.08600	36.7
109.06521	7.5
109.10167	19.9
111.08071	1.9
115.05460	2.4
117.07013	13.5
119.08591	59.7
121.06541	3.9
121.10148	44.6
123.08081	14.4
123.11717	6.3
125.09661	3.4
128.06232	11.3
129.07037	13.9
130.07825	6.5
131.08585	28.2
133.06580	2.2
133.10147	38.1
135.08093	6.2
135.10767	2.8
135.11670	11.7
137.09660	6.9
139.11185	2.3
141.07031	6.3
142.07808	17.5
142.08844	2.5
143.08575	30.0
144.09308	7.4
145.10136	41.5
147.08073	9.1
147.11694	15.5
149.09677	7.2
149.13306	3.4
151.07584	7.6
153.07033	3.3
155.08578	13.6
156.09363	10.7
157.10150	40.2
158.10941	5.3
159.08093	5.1
159.11710	23.3
161.09657	3.3
161.13300	5.7
163.11194	3.9
165.07025	6.2
165.09106	15.5
166.07819	2.8
167.08600	8.3
167.10677	24.5
168.09361	5.0
169.10127	19.1
170.10986	5.8
171.11691	25.6
172.12462	2.3
173.09639	4.2
173.13286	16.1
175.11246	4.3
175.14818	8.2
177.09322	2.0
178.07790	2.9
179.08589	9.1
180.09389	5.4
181.10159	12.7
181.12279	5.3
182.10966	5.2
183.11699	20.0
184.12512	4.2
185.13249	11.9
187.03056	1.8
187.11192	3.6
187.14816	3.9
189.12808	5.8
191.14391	5.5
192.09349	3.2
193.10141	12.3
194.10950	10.1
195.11729	17.4
196.12419	6.3
197.13281	16.5
199.11279	2.9
199.14832	11.0
201.16470	5.1
202.68330	1.6
203.08609	1.9
203.14363	8.3
205.10167	3.5
206.10999	5.5
207.11766	15.5
207.13780	5.1
208.12549	5.5
209.13281	21.2
209.15138	2.7
210.14030	3.2
211.14854	11.3
212.15729	1.8
213.12814	2.7
213.16443	4.8
215.14410	4.4
215.94406	1.6
217.10060	3.3
217.15971	6.1
218.11089	1.8
219.11737	8.0
219.17397	1.8
220.12517	4.8
221.13313	14.1
221.15448	24.8
222.14114	3.2
223.14804	11.8
225.12869	2.2
225.16505	6.5
227.14323	2.0
229.16071	2.1
231.11781	6.4
231.13867	2.5
232.12602	3.0
233.13293	7.2
233.15443	9.0
234.14186	5.0
235.14886	9.1
237.16502	5.3
239.18065	4.1
241.16051	1.7
243.11745	2.0
244.12639	2.1
245.13354	5.5
246.14107	2.8
247.14920	6.4
248.15623	3.9
249.16371	8.5
251.18033	6.1
253.15944	2.5
255.17589	2.0
257.13086	2.9
257.19101	3.1
259.14816	3.6
260.15665	2.3
261.16437	7.0
263.18015	5.8
265.19614	6.8
269.19101	3.7
271.14771	2.1
273.16360	3.1
275.17999	6.2
277.19553	3.1
283.20670	10.8
289.19717	2.2
291.21033	1.9
295.20554	3.3
301.19531	2.2
307.20764	2.0
315.21014	2.0
317.22498	2.1
323.23740	1.8
329.22571	2.5
331.24295	2.7
333.22382	2.3
343.24475	2.2
349.25378	5.3
361.25381	3.3
375.26834	3.7
403.30301	2.9
491.34460	1.7
503.35547	1.7
547.39429	3.8
565.40344	18.3
583.41522	100.0
584.42407	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3608
Annotation	Camangeloyl acid
Peak:m/z	Relative Intensity
53.00487	0.3
53.03937	0.4
55.05495	1.1
57.07061	0.6
62.76147	0.3
65.79411	0.3
67.05492	1.4
69.07066	1.0
69.22876	3.4
79.05495	1.8
81.03423	0.5
81.07067	1.9
83.04999	0.4
83.08618	0.8
89.06031	0.9
91.05476	2.0
93.07052	2.6
95.08597	1.5
97.10155	0.5
104.76561	0.4
105.07021	2.6
107.08598	1.9
109.10150	0.8
117.06991	0.7
119.08588	2.7
119.09413	0.3
121.10151	1.6
123.08086	0.6
129.07019	0.4
131.08556	1.8
133.10121	1.9
135.11711	0.5
142.07831	0.5
143.08600	0.8
144.09398	0.4
145.10114	2.4
147.08066	0.6
147.11671	0.9
149.13315	0.4
151.07568	0.4
153.07011	0.4
157.10117	1.2
157.65430	0.4
159.11713	0.8
161.09647	0.4
161.13336	0.6
165.09077	0.8
169.10164	0.9
171.11668	0.9
173.13217	1.1
175.14833	0.6
183.11790	0.8
185.13367	0.8
193.10181	0.5
195.11662	0.5
197.13228	0.6
199.14865	0.4
221.13278	0.4
221.15395	1.0
249.10974	2.4
305.13589	0.8
363.27838	0.4
468.21637	0.5
475.55249	0.4
491.35138	1.0
505.62527	0.4
534.53442	0.4
541.24500	1.5
551.22430	0.5
583.35986	100.0
584.36133	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	583.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81306	1.6
53.03946	13.2
55.01878	5.9
55.05519	7.8
57.03437	4.3
61.02926	3.6
65.03957	1.7
67.05518	17.0
68.99793	3.0
69.03435	22.2
69.07063	6.7
70.07164	3.3
70.07564	5.9
70.47488	1.8
71.04991	5.2
73.02917	4.1
77.67254	1.8
79.05503	22.1
79.10110	1.6
81.03423	33.3
81.07067	29.2
83.04987	5.2
83.08617	4.1
85.02911	45.1
87.00839	24.0
87.01362	2.8
91.03952	2.5
91.05485	26.3
93.07047	41.4
95.04960	3.3
95.08611	39.7
95.47563	1.5
97.02901	26.6
97.06519	6.1
97.10170	4.3
99.04472	11.8
103.05462	2.3
105.01880	12.0
105.02457	2.0
105.07041	44.7
105.80310	1.5
107.08595	33.8
109.02886	43.9
109.06519	5.0
109.10166	19.5
111.08105	2.2
117.01855	3.6
117.07018	13.7
119.08592	35.8
121.10151	29.9
123.08053	4.0
123.11698	7.8
125.09676	4.0
127.03929	42.5
128.06207	1.9
129.01822	2.1
129.07024	8.3
131.08572	25.7
133.06416	2.0
133.10133	40.0
135.11711	28.3
137.09616	6.1
139.11148	2.6
141.07019	3.7
142.07829	3.2
143.08572	13.1
145.04985	9.8
145.10138	34.4
147.08038	3.0
147.11707	47.0
149.09665	4.1
149.13260	13.7
151.11200	6.3
155.08562	9.0
155.10674	3.6
156.09373	2.2
157.10152	18.2
159.02905	13.3
159.11714	27.8
161.13284	17.0
163.11188	5.6
165.09154	1.8
165.12796	3.1
167.10687	3.2
169.10144	9.9
171.11699	23.8
173.13200	11.9
175.11185	2.7
175.14848	4.4
179.10675	7.5
181.12292	8.0
182.10864	2.1
183.11732	14.7
185.13300	11.0
187.11195	1.9
187.14793	4.1
189.12701	3.7
193.12280	17.1
195.11612	1.7
197.13272	26.1
199.14845	6.5
201.12723	2.8
205.12155	3.5
207.11824	2.3
207.13872	5.2
209.13258	2.1
211.14851	11.7
213.03923	3.6
213.16422	4.1
215.14392	2.4
219.13899	2.9
223.14894	2.6
225.16367	8.2
227.17981	1.9
231.04924	10.9
241.19507	19.8
243.17464	3.0
243.21092	16.8
251.17966	3.0
253.19533	74.5
253.22205	3.7
255.21069	3.1
259.20572	3.6
263.18042	2.6
269.19083	11.9
271.20578	92.2
272.20743	2.0
273.22128	2.2
281.19070	14.5
287.20087	26.4
289.21625	100.0
299.20068	59.1
305.21194	2.6
317.21143	68.3
335.22183	73.7
583.27405	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	583.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.05514	3.0
57.03434	1.0
57.07070	1.3
67.05508	8.9
69.03429	0.5
69.07081	2.7
69.85220	1.0
69.85632	1.7
79.05499	5.3
81.03416	0.6
81.07055	8.0
83.04964	0.5
83.08620	1.1
91.05486	4.0
91.38661	0.4
93.07038	5.9
95.04965	1.3
95.08616	7.8
97.06519	0.9
97.10201	0.6
98.98460	1.3
100.66544	0.4
103.05415	0.5
104.25180	0.5
105.07029	4.2
107.08614	4.1
109.06508	0.5
109.10128	2.6
117.07011	1.5
119.08588	4.3
121.10141	3.1
121.64184	0.4
123.08076	1.3
123.11696	0.9
129.07007	0.9
131.08603	2.2
133.10117	2.9
134.12476	0.4
135.11705	2.2
142.07751	1.1
143.08545	1.2
145.10117	2.8
147.11693	0.8
149.09596	0.5
149.13243	0.5
150.41826	0.5
154.36240	0.5
155.01074	1.6
157.10091	1.9
159.11714	1.6
161.13330	0.6
163.11238	1.1
165.09195	0.9
169.10094	0.9
171.11716	1.1
173.13214	1.5
175.14851	1.0
181.10164	0.8
183.11729	0.7
185.13287	0.7
187.14786	0.6
197.13329	0.6
200.43501	0.5
203.14276	0.6
207.11713	0.8
221.15375	1.2
249.10989	35.0
305.13577	4.1
335.25964	1.3
341.30707	1.0
467.21021	2.3
468.21243	0.8
477.06253	0.5
482.23047	1.7
491.35129	0.7
541.24438	1.5
551.31903	0.5
555.25897	7.7
565.40558	0.6
583.35968	100.0
584.36469	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	583.2554
Annotation	Malleastrone A
Peak:m/z	Relative Intensity
55.05518	0.7
60.34512	0.6
67.05507	3.8
69.07063	1.7
69.23619	0.6
70.14890	2.4
72.59805	0.6
79.05489	2.2
81.07059	3.7
83.08620	0.6
91.05480	2.3
91.28558	0.6
93.07034	2.5
95.00676	0.6
95.04967	1.2
95.08595	3.1
105.07043	3.0
107.08605	2.3
109.10158	1.4
111.08103	0.7
112.04598	0.7
119.08607	3.1
121.10136	1.7
131.08554	1.3
132.08144	0.8
133.10173	1.8
135.11699	1.3
137.09656	0.7
143.08598	1.4
144.08093	0.8
144.09225	0.9
145.10130	2.9
155.08633	0.8
157.10130	0.9
159.11761	1.2
163.08682	0.9
168.09442	0.9
169.10115	1.3
172.69218	0.6
173.13258	0.6
180.10219	0.7
189.10278	1.5
197.10760	0.8
197.13290	0.8
221.10793	1.3
221.15433	1.4
223.12236	0.8
235.08609	0.8
235.12315	1.2
247.12602	0.9
249.11002	8.9
249.13576	0.9
253.83531	0.7
262.13632	0.8
263.15366	0.8
274.13315	1.0
276.15027	2.4
277.13385	0.8
288.15179	0.8
289.15918	1.2
303.13834	0.8
306.16071	1.1
313.15436	1.0
314.16599	0.9
318.16058	2.6
335.14127	1.0
337.15076	1.4
338.16122	1.3
339.16580	1.2
351.15991	2.3
352.17273	1.9
353.17563	5.1
354.19510	4.2
364.17633	1.1
365.17795	2.3
366.19049	1.6
367.15128	0.8
367.19247	10.1
368.20328	1.0
379.19339	1.8
380.16721	0.8
381.16809	0.7
381.21039	5.9
382.21927	1.1
383.18167	1.0
383.22614	2.9
393.16840	1.1
394.17929	2.0
395.18582	2.2
395.22913	0.9
407.18729	1.8
409.20251	7.4
410.20627	2.1
421.20285	1.0
422.21317	0.8
423.22528	3.0
424.22458	1.9
425.19513	1.9
425.23682	1.5
435.22040	1.1
437.23883	6.0
440.23102	1.9
442.25290	1.0
451.21082	0.8
453.19006	11.6
454.19592	1.4
467.20850	1.1
468.21729	18.9
469.26486	11.3
470.24493	2.1
479.24985	4.6
481.22217	1.1
482.23209	1.1
485.25641	1.5
491.35223	1.1
496.22357	10.3
497.25104	1.2
509.25140	0.7
511.27298	3.1
513.25067	17.2
523.23438	1.0
539.26910	3.1
540.23663	5.0
541.24487	100.0
542.24500	1.9
551.22559	1.1
555.26062	32.6
556.26062	1.0
583.25519	44.5
583.36005	22.4
584.25800	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.9
55.05519	12.5
57.07064	3.5
59.04993	4.4
65.03931	2.6
67.05514	26.9
69.03426	3.6
69.07069	17.1
71.04979	5.0
77.03922	2.1
79.05496	24.4
79.25098	1.6
81.07066	30.0
83.04981	4.0
83.08597	5.0
85.06532	4.1
91.05486	42.3
92.34093	2.0
93.07048	50.9
95.04975	47.2
95.08618	18.5
97.06541	3.5
103.05480	3.0
105.07038	72.8
107.08595	32.4
109.06512	8.3
109.10163	19.0
111.11734	3.3
115.05467	6.9
116.06230	3.8
117.07029	25.4
118.07786	3.9
119.04951	4.7
119.08582	73.7
120.09426	2.2
121.06500	6.0
121.10155	57.3
122.10894	2.2
123.08064	17.8
123.11668	3.3
128.06229	14.6
129.07013	19.7
130.07809	8.9
131.07610	2.4
131.08578	36.2
132.09328	3.8
133.06509	11.9
133.10141	29.1
135.08075	10.2
135.11690	6.4
137.09608	6.0
138.10379	3.7
139.11212	2.8
141.07002	9.2
142.07776	18.3
143.08562	46.8
144.09393	9.4
145.06436	5.2
145.10135	77.1
146.07268	8.2
147.08098	13.0
147.11720	12.9
148.08813	2.6
149.09634	16.8
149.13292	2.8
151.11205	3.1
153.06976	3.5
154.07764	4.7
155.08553	23.5
156.09346	21.3
157.10144	41.6
158.10890	6.4
159.08072	18.1
159.11696	17.6
161.09636	11.9
163.11214	3.1
165.05681	2.0
165.06898	8.7
166.07823	4.6
167.08583	11.6
167.10683	65.0
168.09378	6.4
169.10130	37.8
170.10905	8.1
171.08081	3.0
171.11713	27.2
172.08871	3.3
172.12491	2.7
173.09622	10.8
173.13223	12.9
174.10379	4.2
175.11211	5.4
178.07784	4.4
179.08592	15.8
180.09381	11.3
181.10130	24.8
182.10922	13.5
183.08122	3.5
183.11673	27.7
184.12469	4.1
185.09686	9.9
185.13295	15.6
186.10394	3.2
187.11214	12.4
189.12752	10.5
191.08588	1.9
191.14293	8.0
192.09367	6.1
193.10167	13.5
194.10945	10.3
195.07953	2.2
195.11714	22.4
196.12468	7.2
197.09636	7.4
197.13219	19.2
198.10361	2.3
198.14047	3.3
199.11145	11.8
199.14838	3.4
200.11890	2.0
201.12775	5.3
203.14348	2.3
205.10153	4.0
206.10948	4.3
207.11710	18.5
208.12508	7.5
209.09622	2.4
209.13271	22.5
210.14017	4.3
211.11165	6.8
211.14819	16.0
212.12112	2.4
213.12769	6.1
215.14310	7.5
216.43622	2.0
217.10170	3.3
217.12247	3.5
218.10931	4.1
219.11716	6.1
220.12549	3.5
220.14590	12.9
221.13245	11.1
221.15161	3.4
222.13972	4.0
223.11230	10.9
223.14809	11.6
224.15498	2.9
225.12764	9.7
225.16302	3.3
227.14287	6.3
231.11731	4.4
231.13924	2.8
232.09151	2.3
232.12526	2.9
232.14587	2.9
232.98680	2.3
233.13211	8.0
233.15370	34.2
234.14040	4.1
234.16162	6.7
235.14757	8.6
237.12843	5.4
237.16429	4.5
238.17123	2.3
239.14319	3.1
239.17960	2.6
241.15723	2.1
245.13246	6.3
246.16283	5.6
247.14827	7.5
247.17055	2.4
248.15552	3.6
249.12718	2.6
249.16278	4.2
251.14340	2.4
251.18018	3.4
253.15915	8.4
255.17439	3.7
257.13242	2.3
259.14774	4.4
260.17926	4.2
261.16452	6.1
263.14355	5.0
263.18140	4.0
265.15750	10.4
271.17108	2.6
273.18631	17.5
275.17896	3.6
277.15894	5.5
277.19598	2.2
281.15408	2.5
281.18924	2.4
286.19214	6.8
287.17847	4.0
289.15881	3.6
289.19373	3.5
291.17545	4.0
291.20816	2.6
293.18970	2.2
297.18494	5.3
298.19406	9.9
299.20084	22.1
301.19592	2.2
303.17529	2.4
303.21072	5.3
309.18561	1.9
309.22180	4.0
310.19318	5.3
311.20047	6.8
312.20981	4.2
317.18933	2.0
319.20535	2.3
323.20126	3.2
325.21414	3.2
335.20062	16.2
337.21637	20.6
338.22281	3.5
343.20834	2.0
345.22061	4.4
349.21646	6.2
350.22559	2.8
351.23218	11.0
352.23999	100.0
353.24857	4.6
361.21393	2.3
363.23209	12.9
364.23895	4.9
365.24747	10.3
376.23895	5.9
389.24683	5.5
399.63776	1.8
429.27933	5.1
434.28003	4.0
443.28958	4.2
444.30225	40.6
445.30634	3.6
457.31058	3.8
489.35623	9.3
490.34244	8.4
547.39661	7.1
564.40106	2.1
582.40686	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.7
55.05516	8.6
57.03442	1.7
57.05674	1.3
57.07070	3.8
59.05034	1.9
65.03938	4.1
67.05512	13.8
69.03432	7.2
69.07083	10.6
70.06560	6.5
70.63107	1.4
75.86073	1.3
79.05506	17.6
81.07069	23.9
83.04988	4.9
83.08622	4.2
85.06536	4.4
91.05494	31.0
93.07050	31.5
95.04982	45.7
95.08614	14.2
97.06532	2.2
98.20773	1.7
103.05519	2.5
105.07040	59.3
107.04993	3.1
107.08604	32.1
109.06548	9.1
109.10156	8.9
115.05485	4.7
117.07022	20.9
119.04928	3.8
119.08594	57.1
120.09345	1.8
121.06536	8.0
121.10151	28.6
121.10943	2.7
122.07276	3.2
123.08072	13.2
123.11739	3.2
127.44195	1.5
128.06236	14.3
129.07019	20.5
130.07796	5.9
131.08586	36.4
132.09386	3.6
133.06512	5.4
133.10133	25.1
135.08084	13.7
135.11726	6.2
137.09636	4.4
138.10402	4.0
140.42743	1.6
141.07040	8.3
142.07791	20.5
143.08569	57.8
144.09341	6.4
145.06499	3.9
145.10135	49.4
146.07350	2.4
146.10785	2.1
147.08032	9.4
147.11726	13.2
147.18086	1.5
148.08859	2.5
149.09666	8.5
149.10657	1.5
149.13358	1.4
151.11174	3.9
153.06982	4.5
154.07872	3.8
155.05901	1.4
155.08574	17.8
156.09372	15.1
157.10156	39.8
158.10953	6.7
159.08066	12.1
159.11711	27.4
159.13028	1.7
161.09636	14.9
161.13208	2.7
163.11203	2.3
165.07063	8.0
166.07826	6.1
167.08611	14.0
167.10721	7.7
168.09404	7.8
169.10136	30.9
169.11552	1.5
170.10948	8.1
171.08128	4.5
171.11696	29.3
172.08826	2.9
172.12521	3.8
173.09630	12.0
173.13260	11.2
175.11198	4.5
175.14879	2.8
177.09129	2.9
178.07802	2.2
179.08543	9.9
180.09415	7.9
181.10162	23.5
182.10892	9.2
183.08125	2.4
183.11732	26.6
184.12589	3.3
185.09653	7.5
185.13246	11.2
186.10390	3.6
187.11189	9.5
187.14883	4.3
188.12019	5.7
189.09152	3.7
189.12773	10.3
189.14230	1.5
191.08627	2.5
191.14301	10.7
192.09369	7.6
193.10132	18.3
194.10921	8.0
195.08141	1.7
195.11725	29.1
196.12546	4.8
197.09654	8.1
197.13275	23.2
198.10455	1.6
198.14037	3.5
199.11209	12.8
199.14938	8.2
200.11983	2.8
201.12781	7.0
203.08553	2.1
203.14391	5.0
205.10197	4.4
206.10992	6.2
207.11700	20.3
208.12524	6.7
209.09724	5.9
209.13289	22.5
210.10492	2.7
210.14108	4.7
211.11356	9.9
211.14870	11.7
212.11978	2.7
212.15565	1.6
213.12802	6.8
213.16440	3.4
214.13573	2.1
215.10753	2.5
215.14355	4.9
216.09290	1.7
217.10197	5.5
217.15959	3.3
218.10898	3.9
219.11760	5.4
220.12569	4.0
221.09625	2.8
221.13289	10.3
222.10457	2.7
222.14104	6.2
223.11200	5.3
223.14781	13.3
223.16449	1.4
224.12109	3.2
224.15643	3.0
225.12688	9.9
225.16434	3.3
226.13512	1.9
227.14299	15.6
229.12350	2.1
230.10844	2.9
231.11731	6.2
231.13972	2.6
232.12576	3.1
233.09821	1.8
233.13293	9.0
233.15323	2.4
234.13985	2.2
235.11154	3.6
235.14880	9.7
237.12805	4.8
237.16568	4.0
239.14326	4.7
239.18102	4.6
240.15164	1.8
241.15981	4.8
243.11771	3.7
244.12517	2.9
245.13300	7.4
245.15504	3.0
246.14067	3.0
247.14838	9.9
248.15804	2.0
249.12737	3.4
249.16435	5.4
251.14386	6.9
251.17914	2.4
253.15852	10.3
255.17393	7.1
256.12558	2.4
257.15561	2.5
257.18964	2.4
258.14267	2.9
259.14877	4.5
261.16498	6.6
262.17090	3.2
263.14386	3.7
263.18118	2.6
264.15131	2.0
265.15921	4.7
265.19025	1.4
267.17426	2.7
269.13162	1.6
269.19174	3.1
271.14560	2.5
271.17056	5.6
273.16342	2.9
273.18561	62.1
275.14508	2.1
275.17953	2.9
277.15900	5.9
277.19531	3.4
279.17474	3.7
281.19144	3.6
286.19363	5.0
287.20386	2.1
289.16089	8.5
289.19049	2.4
291.17505	4.2
291.21048	4.2
293.18997	3.9
299.20178	25.7
301.19589	3.2
303.20950	2.0
305.19232	1.8
309.22086	3.6
311.20178	3.7
313.19281	1.6
315.21051	2.2
317.19107	2.4
319.20691	5.9
325.21649	5.4
327.20990	2.5
337.21664	28.9
339.23419	3.3
345.22287	2.7
350.22437	1.8
351.23331	5.6
352.23993	100.0
353.24954	7.1
361.21976	2.2
361.26208	1.7
363.23285	4.9
364.23907	2.0
365.24924	13.1
375.23166	1.7
376.24152	4.5
391.26349	2.1
401.28574	4.5
402.09302	1.8
406.28824	2.4
411.27219	3.7
429.28082	5.7
431.28970	1.6
434.28265	6.2
443.29504	3.6
444.30255	37.7
445.30920	8.3
472.33255	2.6
490.34457	14.1
502.34961	1.9
521.37616	3.1
526.34735	1.8
531.84448	1.9
539.39038	2.2
561.35693	1.6
564.39923	2.0
582.40735	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.5
55.01866	2.5
55.05513	12.4
55.56400	2.5
57.03430	2.3
57.07072	4.4
59.05000	2.5
65.03918	4.2
67.05507	18.4
69.03416	5.1
69.07079	23.6
69.18726	5.1
69.19135	18.0
79.05499	28.2
81.07054	30.0
83.04971	7.2
83.08636	5.8
91.05492	42.6
93.07050	58.4
95.04974	45.3
95.08605	26.0
97.06516	5.3
97.10144	3.3
103.05471	5.9
105.07037	75.8
107.08605	33.1
109.06518	11.0
109.10160	13.0
115.05462	6.0
117.07042	26.2
118.07764	2.5
119.04932	6.5
119.08588	70.9
121.06507	6.2
121.10146	63.1
123.08061	19.8
128.06224	9.9
129.07031	23.4
130.07800	12.3
131.08575	41.1
132.09312	4.2
133.06514	13.9
133.10141	28.0
135.08052	7.7
135.11671	12.8
137.09647	5.0
138.10376	3.3
139.11267	2.6
141.06978	10.0
142.07800	19.8
143.07506	3.9
143.08568	49.5
144.09288	7.6
145.06465	4.4
145.10132	85.8
146.07260	11.7
146.10767	2.4
147.08067	13.0
147.11682	14.3
149.09615	16.7
151.11183	2.4
153.07018	5.7
154.07747	5.5
155.08588	25.8
156.09384	18.9
157.03381	2.3
157.10147	45.3
158.10925	9.1
159.08072	18.6
159.11693	17.5
160.08723	3.5
161.09608	10.0
161.13274	3.8
163.11180	9.6
165.07007	7.8
166.07770	3.8
167.08615	18.4
167.10687	74.7
168.09354	8.4
169.10144	40.5
170.10921	9.2
171.08054	4.9
171.11694	32.4
172.12567	3.5
173.09645	11.0
173.13284	17.7
174.10341	2.9
175.11240	5.9
179.08572	8.3
180.09349	8.5
181.10097	22.9
182.10907	12.9
183.08153	3.5
183.11700	27.8
185.09644	10.4
185.13222	12.2
186.10466	3.3
187.11159	13.3
187.14807	3.3
189.12755	12.4
191.10602	3.0
191.14339	10.4
192.09314	5.3
193.10170	12.3
194.10927	9.0
195.11705	25.1
196.12509	9.7
197.09642	9.3
197.13223	24.9
198.14043	3.2
199.11099	15.8
200.11974	5.7
201.12750	5.3
206.10931	7.4
207.11719	13.8
208.12454	7.0
209.13260	21.7
210.10408	3.2
210.14099	4.1
211.11186	7.8
211.14839	14.3
212.11876	3.9
213.12804	8.5
213.16261	3.8
215.14284	5.7
218.10951	3.7
219.11745	5.4
220.12593	4.5
220.14580	9.9
221.13269	14.8
221.15410	6.1
222.14041	5.9
223.11201	15.9
223.14786	10.1
224.11899	2.8
224.35287	3.2
225.12772	8.7
225.16466	4.1
227.12775	7.8
231.11647	5.7
233.13194	8.3
233.15388	33.1
234.14096	2.7
234.16194	6.5
235.14758	11.4
236.15375	3.1
237.12700	5.9
237.16345	4.4
239.17909	4.0
240.15126	3.2
241.15762	2.6
245.13235	5.4
246.13960	3.2
246.16228	5.6
247.14758	8.0
247.17090	5.6
249.12782	3.5
249.16417	5.0
251.14236	4.3
251.18051	3.3
253.15741	4.4
257.13223	3.3
261.16339	4.8
263.17868	2.5
265.15945	9.4
272.17725	3.1
273.18506	16.5
275.14374	3.1
275.17896	3.1
277.15930	6.0
281.19052	2.6
283.15396	6.9
286.19223	7.9
287.17728	2.9
287.20471	2.9
289.15933	2.6
291.20941	4.6
297.18484	4.0
298.19263	9.9
299.20190	18.8
300.20901	4.3
303.21033	3.9
310.19653	5.3
311.20016	9.3
323.20068	4.3
333.22098	3.5
335.20065	10.9
337.21652	23.2
339.28946	13.2
349.21570	5.9
350.22357	8.6
351.23230	12.6
352.23984	100.0
353.24692	5.4
360.54926	2.9
363.23297	12.7
364.23947	3.4
365.24719	9.9
375.23300	2.7
376.24234	4.7
389.24603	3.2
429.27902	3.6
434.28156	4.5
443.29205	4.6
444.30209	43.4
445.31207	3.4
490.34222	11.3
547.39612	12.4
582.40656	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	582.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19484	0.3
55.01877	0.5
55.05529	0.6
66.08496	0.3
66.63573	0.3
67.05511	3.0
68.05062	0.4
69.07070	1.1
69.25979	0.3
70.06596	60.8
71.06907	0.3
71.51531	0.6
72.22681	0.3
74.23435	0.3
75.08308	0.3
79.05506	1.2
81.07040	2.6
83.04989	0.4
83.08632	1.2
85.02939	0.4
85.10156	0.3
91.05482	1.0
93.07053	1.0
95.04988	1.6
95.08611	2.1
96.48301	0.3
97.10174	0.5
105.07056	0.7
107.04952	0.4
107.08587	1.0
109.10180	1.2
112.49368	0.3
116.07099	100.0
119.08588	0.8
121.05737	0.4
121.10172	0.6
123.11717	0.7
124.11489	0.4
127.03908	0.3
127.11205	0.3
128.07092	0.9
133.10115	0.3
135.11688	0.6
139.03912	1.3
140.30887	0.4
141.01820	0.6
158.10437	0.3
159.11707	0.7
165.05505	0.4
175.14961	0.3
181.05141	0.3
271.32681	0.3
348.65472	0.4
413.30243	0.9
431.31647	5.0
449.32654	1.8
582.39478	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.8
56.93039	3.6
57.07089	6.7
62.04995	3.1
65.03944	3.6
67.05487	15.1
68.40855	3.6
69.07059	10.8
69.15037	12.5
69.15456	27.5
72.83028	3.2
75.77553	3.2
77.74550	3.2
79.05479	18.8
81.07054	27.8
83.05006	3.7
85.06555	5.6
89.86046	3.9
91.05479	33.4
93.07051	33.1
94.58317	3.7
94.59863	3.4
95.04966	43.2
95.08611	19.1
100.27998	4.6
103.05499	3.8
105.06397	5.3
105.07037	59.5
107.08605	34.6
109.06534	9.8
109.10146	12.2
115.05448	4.1
117.07011	16.2
119.04887	4.6
119.08592	55.1
121.06477	5.4
121.10163	27.7
121.37147	3.5
123.08075	13.5
123.11729	7.5
128.06210	13.5
129.07027	21.8
130.07767	9.1
131.08589	26.8
133.06454	7.4
133.10136	29.2
135.08037	19.4
135.11688	5.0
141.07031	6.1
141.60329	4.0
142.07764	14.9
143.08585	59.7
144.09271	7.1
145.10114	46.5
147.08031	10.6
147.11682	10.3
149.09668	6.6
154.07732	4.6
155.08540	15.8
156.09308	16.0
157.10135	41.3
158.10918	10.3
159.08060	17.8
159.11708	16.8
161.09581	15.9
165.06972	6.6
167.08545	10.4
167.10678	6.1
168.09317	8.1
169.10112	28.0
170.10927	6.5
171.08070	4.9
171.11674	27.3
173.09645	13.2
173.13269	15.3
175.11223	3.9
179.08585	14.6
180.09328	4.9
181.10158	20.7
182.10913	9.4
183.11716	31.7
185.09618	10.6
185.13251	9.0
187.11356	7.5
187.14757	4.1
189.09109	6.1
189.12735	11.5
191.14372	9.0
192.69481	4.2
193.10048	17.8
194.10904	10.2
195.11745	26.5
196.12486	10.7
197.09676	8.4
197.13321	17.2
199.11189	16.3
199.14865	13.0
205.10179	4.7
206.11020	8.3
207.11678	20.1
208.12604	4.4
209.13309	17.1
211.11226	6.4
211.14818	8.8
212.12003	5.3
213.12761	11.8
213.16330	4.1
215.14340	4.7
218.10980	5.6
219.11694	11.5
220.12471	7.8
221.13185	13.7
221.15240	4.3
222.13992	5.7
223.11098	5.1
223.14929	7.6
225.12764	6.8
227.14320	13.7
231.11737	5.4
233.13274	6.6
234.14240	6.8
235.14778	9.7
241.15739	4.2
247.14793	10.2
248.15646	4.7
249.12750	4.0
249.16391	7.5
251.14275	4.7
253.15860	4.6
255.17479	5.1
261.16443	9.0
263.14267	4.9
265.15631	5.6
271.16876	6.0
273.18481	55.5
277.15994	9.9
286.19379	5.3
289.16025	4.3
289.19550	5.6
291.17493	6.9
291.20724	6.6
299.20245	23.4
311.20187	5.4
319.20584	9.1
325.21722	6.1
337.21588	25.0
351.23312	5.4
352.23978	100.0
352.30963	3.9
363.23199	11.6
365.24796	14.4
376.24039	7.1
429.27759	4.8
443.29276	5.2
444.30151	29.2
445.30765	8.5
490.34134	13.5
582.40698	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07452	2.0
53.03947	3.9
55.05508	9.3
57.07087	5.4
59.05005	2.6
65.03947	3.3
67.05512	19.8
69.03440	7.4
69.07075	12.8
70.95615	4.3
79.05501	21.4
81.07064	23.1
83.04990	6.3
83.08615	6.9
85.06539	3.0
85.49246	2.2
91.05486	26.9
93.07056	37.4
95.04980	8.7
95.08610	22.6
97.06552	6.5
103.05451	2.4
105.07037	54.5
106.23029	2.0
107.05031	2.1
107.08593	32.0
109.06532	8.5
109.10165	15.0
113.09605	2.8
115.05424	3.0
117.07039	9.2
119.08585	39.7
119.09381	3.3
121.06544	6.6
121.10152	48.9
123.08083	11.6
123.11731	6.7
125.09595	2.9
128.06213	4.7
129.07019	12.3
130.07825	4.9
131.08580	23.6
133.06503	2.1
133.10147	50.9
135.08063	12.4
135.11740	12.1
137.09657	6.0
139.11211	3.3
141.07056	6.0
142.07770	10.7
143.08562	20.2
144.09480	2.4
145.10124	31.8
147.08035	13.4
147.11679	12.2
149.09651	17.7
151.07547	13.5
153.07030	3.6
155.00989	2.2
155.08589	8.8
156.09367	9.3
157.10156	33.3
158.10938	2.8
159.08057	6.4
159.11705	16.8
161.09669	6.9
161.13324	6.3
163.11186	6.4
165.07098	3.8
165.09134	18.5
167.08553	7.3
167.10701	40.6
168.09375	5.7
169.10126	18.2
170.10947	6.9
171.11737	14.9
173.09636	5.7
173.13324	19.2
175.11275	3.9
175.14839	7.3
179.08594	6.8
180.75461	1.9
181.10156	13.5
181.12244	6.4
182.10942	6.5
183.11748	14.7
185.09656	5.0
185.13309	14.1
187.11256	3.8
187.14870	10.6
189.12825	6.7
191.14261	3.9
192.09367	4.2
193.10168	9.1
194.10950	8.4
195.11745	10.6
195.13312	2.1
196.12489	6.2
197.09732	2.8
197.13297	13.0
198.13809	2.3
199.11145	3.3
199.14857	8.8
201.12762	2.3
201.16502	3.4
203.14328	7.8
206.10971	5.7
207.11761	8.3
207.13863	8.5
208.12491	4.2
209.09531	2.9
209.13316	11.3
211.11250	4.7
211.14891	9.1
213.12817	5.9
213.16443	6.8
215.14391	5.9
217.10080	3.2
218.10773	2.6
220.12561	3.2
221.13304	8.4
221.15448	36.9
223.14865	7.0
225.16444	4.5
227.14383	4.4
230.10927	2.4
231.11713	3.7
232.12494	4.1
233.13272	5.9
233.15457	14.8
235.14897	5.9
237.12854	3.3
237.16469	4.4
239.18018	2.6
243.11800	2.9
244.12712	2.5
245.13345	5.8
246.14114	2.4
247.14850	6.2
247.17107	3.0
249.16457	3.3
251.18034	4.4
253.15872	2.7
259.14883	3.5
260.15732	2.6
261.16379	4.0
262.17230	2.3
263.18155	4.7
265.19449	3.1
267.17407	2.0
271.14709	4.0
273.16370	3.0
275.18167	2.4
277.15945	2.4
277.19580	2.9
281.18881	2.7
283.20779	3.3
287.17868	3.4
289.19467	2.3
299.20392	3.6
305.19458	3.1
311.20102	2.7
312.20917	5.9
323.52155	2.4
325.19562	2.4
329.22440	2.2
338.51364	2.0
339.28644	2.7
347.23801	2.3
359.23831	3.6
373.25250	5.9
425.28635	2.2
435.00076	2.4
476.73615	2.3
553.40460	4.9
563.38812	15.9
581.39960	100.0
582.40704	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92211	2.7
53.03946	5.6
54.76637	2.7
55.05519	22.5
55.36097	3.2
57.04539	2.8
57.07066	6.0
65.03919	3.7
67.05510	23.2
69.03426	7.3
69.07084	16.5
75.86701	2.7
77.97288	2.7
79.05493	26.2
81.03450	3.7
81.07069	32.2
83.04970	9.7
83.08620	14.9
85.06551	4.9
91.05481	40.8
93.07051	43.2
95.04957	10.6
95.08608	31.2
97.06526	13.9
98.98483	8.5
105.07040	67.5
107.04988	3.9
107.08601	43.4
109.06518	10.5
109.10153	26.9
111.08080	4.6
113.09679	4.2
115.05485	7.3
116.06246	4.0
117.07020	12.0
119.08582	54.7
121.06516	6.7
121.10153	40.6
123.08076	18.4
123.11702	9.3
125.09646	6.6
128.06239	9.6
129.07024	17.8
130.07823	2.9
131.08614	28.1
133.06491	4.6
133.10147	49.2
135.08083	11.0
135.11696	15.3
137.09647	8.6
139.11235	6.4
141.07043	7.4
142.07765	14.7
143.08580	32.5
144.09361	4.5
145.10132	38.7
147.08066	7.9
147.11726	15.7
149.09657	22.9
151.07536	9.7
153.07121	3.7
154.07780	4.0
155.01044	6.0
155.08606	12.3
156.09381	13.1
157.10129	38.9
158.10857	6.4
159.08121	7.1
159.11703	22.9
161.09659	7.0
161.13261	6.9
163.11229	5.8
165.07018	4.7
165.09132	7.8
166.86394	3.1
167.08546	11.8
167.10677	21.7
168.09375	5.0
169.10193	13.5
170.10899	6.0
171.11707	21.5
173.09689	5.5
173.13312	24.9
175.11212	4.0
175.14890	6.0
179.08551	9.7
181.10155	11.7
181.12241	5.0
182.10948	9.4
183.11684	18.2
185.09647	4.8
185.13286	13.7
186.83104	3.0
187.11093	4.9
187.14850	10.0
189.12744	5.9
192.09419	3.6
193.10168	13.4
194.10919	8.5
195.11716	15.4
196.12466	7.1
197.13310	12.1
199.11166	4.6
199.14836	8.9
203.14407	6.3
205.10263	4.1
206.10921	6.0
207.11694	10.9
207.13704	6.9
208.12535	7.0
209.13300	16.6
209.15149	3.1
211.11041	3.5
211.14867	6.9
213.16418	4.0
215.14308	7.6
217.10016	4.0
217.15887	3.3
219.11670	5.5
220.12599	4.4
221.13264	12.1
221.15433	22.4
223.14917	5.2
225.16434	3.6
231.11743	4.9
233.13194	7.6
233.15425	13.4
234.14108	4.5
235.14803	4.6
237.12743	4.2
237.16411	4.9
239.14262	4.3
239.17883	3.7
245.13379	7.3
246.14067	5.7
247.14883	7.5
248.15681	6.0
249.16499	5.6
251.17964	3.6
255.21135	4.2
257.19080	3.7
259.14822	3.8
261.16510	7.5
263.17911	5.0
271.14886	4.5
273.16177	6.1
275.17972	6.0
283.20374	5.6
299.20294	4.8
339.29276	4.9
343.24228	3.8
347.23483	4.2
359.23944	4.8
373.25204	5.3
545.38013	4.7
563.38776	18.7
581.25647	5.7
581.39905	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.05523	7.9
56.05030	2.3
57.07077	2.3
59.06064	1.5
65.03950	2.1
67.05498	19.0
69.03436	9.3
69.06732	1.9
69.07073	22.5
70.05431	7.1
70.06583	3.3
71.04975	6.3
79.05494	15.7
81.03394	3.9
81.07053	25.0
83.04980	7.5
83.08612	4.7
85.02895	7.8
85.06557	2.8
86.09710	2.2
89.60714	1.6
91.05482	17.1
93.07048	29.2
95.04937	2.5
95.08608	71.8
97.02900	3.8
97.06526	4.5
99.04442	7.2
99.08079	4.1
105.07030	39.3
105.67131	1.7
107.08604	47.8
109.02872	1.5
109.06501	6.7
109.10154	18.8
111.08063	5.5
113.09622	7.8
117.07069	1.9
119.08590	70.9
121.09341	2.1
121.10142	20.0
123.08105	9.9
123.11700	11.0
125.09631	10.9
127.03934	4.6
130.27959	1.7
131.08586	5.0
131.19116	1.5
133.10135	100.0
134.36832	1.5
135.08061	9.7
135.11691	54.1
137.09622	47.9
139.80164	1.5
141.09055	1.9
143.08530	2.2
145.04933	2.0
145.10094	6.5
147.11655	10.4
149.09647	8.8
149.13225	8.1
150.10426	1.7
153.09061	2.7
158.10915	3.0
161.09567	1.9
163.11192	2.7
163.14772	3.0
173.13289	15.7
175.14832	95.3
176.11995	1.9
176.15150	1.9
191.14322	57.7
192.14815	2.0
193.15877	41.6
203.14359	2.0
209.15361	53.5
217.08667	1.6
221.15436	3.2
273.82770	1.7
335.18515	2.5
353.19604	36.7
371.20480	4.4
545.34106	2.0
581.36755	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	581.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62666	2.5
53.03939	4.8
53.94371	2.5
54.07886	2.3
55.01860	2.7
55.05512	11.3
57.07074	4.7
59.05013	3.6
65.38081	3.0
67.05509	26.7
67.08441	2.5
69.03423	7.6
69.07077	18.0
71.51955	3.9
79.05495	24.6
81.03409	4.6
81.07062	36.2
83.04987	8.6
83.08636	7.3
84.04518	7.2
85.06532	4.7
86.61398	2.3
91.05481	42.8
91.77302	2.6
93.07051	54.8
95.04961	15.4
95.08616	27.7
97.06525	10.5
103.05506	3.8
105.04571	3.6
105.07037	52.4
106.32198	2.3
107.08601	37.9
109.06527	11.6
109.10169	25.3
115.05465	5.9
117.07080	12.8
117.07767	2.5
119.08578	62.5
119.09359	3.7
119.60313	2.4
120.08919	4.9
121.06514	5.5
121.10148	67.3
123.08069	12.4
123.11739	13.8
125.09660	4.8
128.06244	7.8
129.07036	14.6
130.05042	8.9
130.07756	5.2
131.08600	23.5
133.06564	5.0
133.10135	74.2
135.08047	12.1
135.11678	12.7
137.09660	7.6
139.11217	4.3
141.07001	10.3
142.07808	16.5
143.08574	30.1
144.09367	5.8
145.06587	4.3
145.10132	40.2
145.11160	3.8
147.07901	11.3
147.11668	15.2
149.09631	27.6
151.07571	9.8
151.11237	4.7
153.07036	3.2
154.07884	3.2
155.08516	14.8
155.10725	3.4
156.09322	9.2
157.10150	38.2
158.10977	6.4
159.08081	7.3
159.11688	17.4
161.09616	10.4
161.13319	9.4
163.11208	6.0
165.07080	3.1
165.09148	9.3
167.08546	9.7
167.10684	67.4
168.09360	5.9
169.10127	21.8
170.10931	7.7
171.11697	24.2
172.12477	4.0
173.09682	9.3
173.13304	23.5
175.11166	3.4
175.14873	10.4
177.12726	2.5
179.08582	10.8
180.09329	4.4
181.10149	16.3
181.12317	4.4
183.11722	17.1
185.09685	8.3
185.13295	11.2
187.11250	8.3
187.14853	10.7
189.09241	3.6
189.12726	9.5
191.14340	6.1
192.09337	3.5
193.10170	11.7
194.10938	7.4
195.11754	21.6
196.08923	2.8
196.12512	3.8
197.13358	14.8
199.11214	4.3
199.14883	11.4
200.12027	3.3
201.12794	3.4
201.16379	6.0
203.14413	8.6
205.10219	4.0
206.10954	6.1
207.11760	17.7
207.13786	7.2
208.12492	5.4
209.13341	21.5
209.15244	4.2
210.14102	3.4
211.11336	4.1
211.14844	9.9
213.12921	3.7
213.16541	7.6
215.14380	9.9
217.10181	4.3
218.11075	3.9
219.11800	5.5
219.13806	3.0
220.12483	6.4
221.13274	13.4
221.15436	17.2
222.13942	3.4
223.11340	4.0
223.14851	9.4
225.12700	3.7
225.16470	7.2
227.14339	3.4
229.15889	3.9
232.12665	7.2
233.13261	7.8
233.15468	27.7
235.14914	8.4
237.16432	6.0
239.14374	5.8
239.17873	4.0
245.13313	4.7
246.14178	3.6
247.14751	6.5
247.16972	5.9
249.16370	5.1
251.14311	3.3
251.18150	3.9
255.17390	3.3
257.13339	4.6
259.14902	10.1
260.15616	3.7
261.16565	7.0
263.17947	6.8
265.19675	3.7
269.19025	3.9
271.17029	3.3
273.18732	5.9
275.17911	5.1
277.19562	6.1
279.17810	3.1
281.18994	3.5
285.16385	4.0
293.18951	4.7
295.20737	3.2
305.19238	3.7
307.20773	3.3
311.19891	3.3
315.31244	2.9
326.70673	2.7
327.21191	2.8
333.22336	3.1
341.22800	3.2
353.24744	2.6
359.23880	11.1
361.25589	4.7
373.25549	8.1
399.26996	4.0
401.28369	3.4
407.29547	8.2
411.47586	3.0
423.26865	3.5
441.27969	3.4
525.33990	4.3
545.38007	3.8
563.38898	21.0
581.39935	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.01884	2.1
55.05310	1.9
55.05516	20.7
57.03432	7.3
57.07071	4.6
65.03957	1.7
65.18987	1.8
67.05508	55.2
67.29933	2.0
68.73428	1.9
69.07072	22.5
70.75748	3.6
71.04996	2.9
77.58158	1.8
79.05076	2.5
79.05500	32.2
81.03427	2.1
81.07060	61.8
83.04979	6.1
83.08629	14.6
85.06555	2.0
91.05484	19.1
93.06489	2.9
93.07050	45.6
95.04977	8.2
95.08610	60.7
97.02879	3.9
97.06514	5.0
97.10175	3.9
99.04469	5.3
105.04513	2.1
105.07021	13.1
107.04955	6.7
107.08595	36.0
109.06528	4.9
109.10158	15.5
111.08060	3.6
117.07038	9.3
119.08573	20.5
121.06489	5.0
121.10169	15.2
123.11726	3.0
129.07030	2.0
130.93791	1.7
131.08585	3.8
133.10132	8.8
135.08047	2.2
135.11702	54.1
143.08675	3.0
145.10110	24.7
147.11700	7.3
157.10222	2.0
163.11185	54.7
163.14796	2.4
181.12271	9.3
227.12804	81.4
263.23605	3.4
275.53928	1.9
283.15442	43.1
285.17035	4.6
335.25742	6.9
337.27380	78.1
545.38428	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00267	0.3
53.03921	0.7
53.62510	0.3
54.08141	0.3
54.24736	0.3
55.01837	0.4
55.05497	0.4
57.03407	0.4
61.02885	0.4
69.03436	3.3
70.06548	0.6
71.04979	0.4
71.50370	0.4
81.03431	2.1
81.07043	0.3
83.04988	0.4
84.08142	0.4
85.02911	3.1
87.00804	0.8
91.05424	0.3
93.07025	0.4
97.02896	4.2
99.04414	1.1
105.01839	0.8
109.02885	2.2
119.08574	0.3
123.04401	0.8
127.03913	3.1
127.91505	0.3
137.02357	2.8
137.05934	0.6
137.37762	0.3
145.05011	2.3
150.03108	0.3
152.01070	0.4
155.36690	0.3
159.02815	1.0
161.05966	0.3
168.00490	0.5
169.01297	1.0
175.07549	0.3
188.04633	0.4
216.04149	0.8
231.04890	0.4
244.03688	3.6
245.04413	1.1
261.04034	1.0
272.03174	1.4
273.03952	2.4
287.05545	0.5
289.03528	1.0
290.04221	3.2
301.03366	1.2
315.04538	0.4
317.02945	7.9
318.03723	54.6
319.04279	0.6
333.06067	100.0
334.06403	1.5
444.46130	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.2
57.03431	3.2
57.07085	25.8
67.05508	61.4
69.07062	8.5
71.08636	15.3
71.50912	1.4
72.58426	1.5
72.75288	1.4
79.05485	4.1
81.07064	19.3
83.08622	10.4
85.06535	2.2
85.10188	10.5
88.78750	1.3
90.70071	1.4
91.05486	5.5
93.07047	4.4
95.04957	1.5
95.08607	16.9
97.10178	4.6
100.74699	1.5
105.05858	1.6
105.07052	2.8
107.08577	2.8
109.10165	41.0
111.08073	2.3
113.00027	8.5
119.08578	4.5
121.22381	1.5
123.11740	3.1
130.36818	1.5
137.09610	3.0
155.10648	2.5
169.02621	7.5
169.97015	1.6
173.11810	9.3
175.52455	1.4
229.14305	3.2
239.23717	6.1
282.76840	1.8
365.22156	1.6
467.37338	100.0
567.97552	1.6
579.42651	1.5
579.52185	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	580.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44645	4.7
53.03947	11.5
55.05515	37.6
57.03432	13.0
58.87058	4.6
67.05177	7.4
67.05510	86.1
69.07063	20.4
70.09306	6.5
70.09655	22.7
79.05500	63.6
81.03426	56.9
81.07067	80.5
83.04968	20.9
83.08625	27.6
85.02886	18.4
91.05498	61.1
93.07050	72.2
95.04977	27.4
95.08627	48.2
96.18476	5.1
97.06503	8.2
105.07047	49.9
107.08605	29.5
109.10159	20.3
111.04461	5.5
111.08125	12.2
119.08584	37.7
121.10156	32.4
129.07008	10.7
131.08551	25.4
133.10124	19.1
135.11678	13.4
145.10126	11.2
147.11694	16.0
149.13304	7.4
153.98949	5.4
157.10175	22.3
159.11697	7.4
162.03558	5.6
173.13329	6.1
175.11140	8.3
175.54425	5.2
177.12730	5.5
193.12277	60.2
211.13327	64.1
244.90790	5.1
261.22217	9.7
267.15997	13.9
285.17023	35.4
335.25824	66.4
343.45322	6.2
527.37292	19.7
545.38434	100.0
580.40253	9.0
590.99207	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	579.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75263	1.2
53.03952	2.5
53.23535	1.0
55.05513	6.6
57.03431	2.1
57.07079	2.4
61.02927	1.2
67.05511	10.1
69.03436	16.4
69.07081	7.1
69.91702	5.0
70.06592	1.3
71.05006	3.1
74.80488	1.2
79.05502	11.3
81.03424	6.9
81.07071	18.6
83.04992	8.4
83.08640	2.5
85.02913	20.1
85.03389	2.0
85.06554	10.1
87.04485	1.4
91.05490	11.1
93.07050	24.8
95.04991	6.8
95.08620	19.3
95.09188	1.9
97.02910	4.7
97.06545	11.3
99.04440	5.4
99.08076	7.4
105.07037	28.1
107.08604	66.0
109.02872	2.7
109.06528	14.7
109.10173	17.6
111.08111	5.1
113.09717	1.6
117.07058	4.4
119.08594	26.7
121.06499	10.2
121.10152	36.6
123.08086	10.0
123.11728	2.3
125.06057	1.2
125.09669	5.1
127.03951	4.5
128.06282	1.3
130.69987	1.2
131.08574	16.2
133.10141	39.9
133.11093	2.2
135.08066	17.5
135.11696	9.7
137.09645	7.3
139.11182	7.7
143.08569	3.2
144.09332	1.4
145.05017	3.6
145.10133	10.2
147.11703	26.1
147.12820	1.9
149.09634	17.7
149.10707	1.2
149.13275	33.9
151.11208	20.3
151.12357	1.5
151.14896	1.5
153.09171	3.3
157.10165	2.1
158.10947	3.8
159.08142	1.3
159.11717	2.4
161.09689	1.5
161.13263	5.5
163.11188	3.1
163.14836	21.6
165.12740	6.8
167.10754	2.9
167.14339	1.4
171.11769	1.5
173.13289	39.4
175.11252	1.3
175.14851	1.8
177.53745	1.3
179.14386	2.6
189.12811	1.4
191.14323	100.0
207.13766	1.7
209.15382	60.6
227.16426	47.5
335.18619	2.4
353.19672	9.2
371.20761	6.0
379.11545	1.2
399.29037	6.5
417.12076	1.7
417.29916	11.6
561.34772	1.9
579.18085	1.3
579.35419	37.6
580.35889	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1347
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
50.11389	0.3
68.99815	0.3
70.29036	0.7
70.29403	0.6
94.70960	0.3
95.79405	0.3
112.01606	0.4
119.04887	0.4
140.01048	0.4
148.05116	0.4
149.06015	0.5
151.03929	1.1
154.99725	0.4
168.00546	5.5
169.01349	0.5
182.99268	0.7
186.01627	1.4
194.76921	0.4
214.06247	0.6
245.04431	1.6
270.05295	0.4
273.03979	4.8
288.06311	0.4
298.04764	2.4
301.03458	17.0
315.05017	0.5
316.05801	50.4
317.06009	0.6
331.08139	100.0
332.08432	1.3
394.23785	0.3
488.73172	0.4
579.13275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27776	1.5
51.02377	1.9
51.37099	1.4
53.00325	1.6
53.03938	4.9
53.39930	1.3
55.01864	3.8
55.05511	16.9
57.03428	5.2
57.07064	5.5
61.02911	1.7
65.03931	2.0
67.05511	80.1
69.03429	3.4
69.07069	14.5
69.97747	3.3
69.98163	4.7
71.05000	3.3
71.08627	2.6
72.20655	1.5
73.02910	4.2
79.05077	3.0
79.05502	45.5
81.03431	9.8
81.07061	87.9
83.04993	3.5
83.08623	10.2
85.02913	3.6
85.06534	3.0
88.63131	1.4
89.11845	1.3
91.04984	1.8
91.05494	23.5
93.06486	3.3
93.07051	55.3
95.04961	4.4
95.08614	65.0
97.02905	2.2
97.06559	3.9
97.10168	6.0
98.21494	2.4
98.98477	26.0
99.04427	2.2
99.08100	3.8
105.04557	1.8
105.07031	22.7
107.04967	2.3
107.08604	38.1
109.02893	10.5
109.06548	1.8
109.10165	39.0
110.03662	3.6
111.04424	4.5
111.08076	2.0
112.13789	1.4
112.82902	1.8
115.91304	1.4
117.07018	13.9
119.08591	18.5
121.10153	38.4
123.08111	2.0
123.11732	17.5
127.03909	4.8
129.06981	2.9
131.08565	24.0
133.10147	15.3
135.11708	28.1
137.13246	6.6
143.08524	2.5
145.10121	18.5
147.11685	12.6
149.09569	1.8
149.13286	20.9
151.11275	2.9
151.14845	2.4
153.12752	1.9
155.01068	22.0
157.10117	1.9
159.11719	14.6
161.13226	8.9
163.11166	3.2
163.14864	13.8
164.69968	1.4
165.12759	1.5
167.08499	1.4
171.11688	2.3
173.13260	12.8
175.14774	3.8
177.16360	5.9
179.14369	2.7
185.13284	1.9
187.14821	7.5
191.00050	3.6
192.33748	1.5
201.16389	4.1
205.15810	1.9
233.22704	5.5
243.21118	26.8
245.22672	3.1
261.22162	100.0
263.23737	6.0
279.23331	3.4
303.23270	2.5
317.06390	2.8
335.25888	15.1
337.27386	14.2
351.22931	1.5
353.26889	72.5
369.24094	2.6
388.65848	1.5
389.27045	2.4
399.89417	1.8
443.27774	1.8
451.21884	2.7
510.27982	1.6
543.36603	2.2
559.68555	1.6
561.27155	5.5
561.36554	3.3
579.38013	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	578.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	15.3
57.03445	6.6
65.03959	2.1
67.05511	39.2
69.03453	2.1
69.07066	11.6
69.16556	9.7
69.16983	10.7
71.04992	2.5
79.05499	41.4
79.05917	3.6
81.03448	2.0
81.07064	35.8
83.04999	4.6
83.08624	10.6
91.05466	15.0
93.07051	56.9
95.05009	6.0
95.08004	2.7
95.08612	53.2
97.02894	2.7
97.06584	2.8
99.04502	4.0
105.04552	2.8
105.07037	14.7
106.66338	2.0
107.04966	5.6
107.08606	32.0
109.06520	2.2
109.10167	10.2
110.94029	2.1
117.07030	10.6
119.08600	15.3
121.06516	3.6
121.10126	20.3
121.10785	1.8
123.11759	2.9
131.08603	4.8
133.10150	6.5
135.08073	2.7
135.11707	49.3
135.47261	2.0
139.07588	2.3
139.11339	2.2
139.29243	1.9
145.10136	26.6
147.11720	3.6
163.11182	49.6
163.14935	2.2
181.12257	9.7
192.25096	2.8
209.11703	3.0
227.10547	5.0
227.12804	100.0
243.20984	2.2
261.22101	9.3
283.15451	41.7
317.24789	3.3
335.25833	72.1
436.58740	2.2
543.36835	84.5
544.37122	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.3
53.05650	2.8
55.01863	6.8
55.05513	30.7
57.03436	12.9
57.07084	6.0
65.03944	9.0
67.05510	100.0
67.85584	3.1
69.03413	3.4
69.07078	29.4
69.23248	31.4
71.04998	16.5
79.05499	65.1
81.03436	21.1
81.07060	99.6
83.04980	7.7
83.08621	19.9
85.06538	12.4
86.67080	3.6
91.05481	62.9
93.07047	66.2
93.13850	3.5
95.04977	15.8
95.08064	5.1
95.08624	65.5
97.06551	9.1
97.10161	18.5
98.90782	3.5
105.07034	64.9
107.04981	3.9
107.08605	43.3
109.02901	3.2
109.06525	7.8
109.10164	31.1
111.08055	8.4
115.05424	4.2
117.07021	20.0
119.08592	37.7
119.11140	3.1
121.10152	33.9
123.08082	8.0
123.11710	10.7
125.09652	15.7
129.06990	12.8
131.08585	32.2
133.10149	29.3
135.08017	4.3
135.11728	17.7
137.13228	3.0
142.07739	4.2
143.08582	11.6
145.10120	22.2
147.11714	26.2
149.09572	4.6
149.13240	10.4
155.08626	6.6
157.10164	12.0
159.11713	19.3
161.09595	6.9
161.13255	10.9
163.11282	4.1
163.14908	5.0
165.12718	5.1
169.10130	7.9
170.69545	3.7
171.10223	4.4
171.11708	12.3
173.13266	13.4
174.57637	3.5
175.11327	3.6
175.14763	5.5
181.10164	5.3
183.11734	9.9
185.13300	7.5
187.14865	6.7
189.11247	8.0
193.12288	7.8
195.11740	4.5
197.13229	5.2
199.14890	5.4
201.16440	4.5
213.16438	3.9
227.12761	13.9
228.97823	3.4
243.21019	4.5
261.22122	9.3
267.15915	22.0
285.22351	5.6
295.34714	3.9
301.25284	11.2
303.23294	6.0
315.23322	3.8
333.24191	4.7
335.25797	13.4
361.23260	3.9
363.25217	8.1
417.31512	5.3
435.32587	13.2
453.33551	12.7
471.34485	5.0
509.36362	3.9
527.37360	54.3
545.38379	46.9
559.38568	6.1
577.38489	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	577.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86705	1.8
53.03341	2.0
53.03947	10.1
55.01868	7.5
55.05514	37.4
57.03445	9.9
57.07098	3.9
59.04991	2.7
62.20831	2.0
65.03941	6.5
67.05511	87.9
69.03391	2.1
69.07076	30.5
69.17703	18.6
71.05006	14.8
76.38675	1.9
77.03964	2.0
79.05501	67.1
81.03426	20.6
81.07067	100.0
83.04987	7.1
83.08626	21.3
85.02899	2.7
85.06560	15.2
91.05486	67.5
93.07054	75.1
95.04992	15.2
95.08613	65.5
97.06544	13.1
97.10168	17.3
97.88290	2.1
99.08086	3.6
103.05467	2.3
105.07040	62.7
105.59266	1.8
107.04964	5.7
107.08604	43.8
109.06518	5.2
109.10176	30.4
111.08088	6.0
115.05443	3.1
117.07029	21.5
119.08593	46.1
121.06501	4.6
121.10159	30.4
123.08071	6.9
123.11701	12.4
125.09636	14.7
128.06207	1.9
129.07033	15.5
130.07745	2.1
131.08583	39.0
133.06523	2.9
133.10153	27.3
135.08076	6.3
135.11703	15.2
137.09590	5.9
137.13246	4.8
139.11205	2.7
141.06956	4.3
142.07835	2.6
143.08566	14.8
145.06480	2.8
145.10152	26.1
147.08020	3.4
147.11711	29.7
149.09616	7.5
149.13293	11.4
151.11136	3.2
155.08571	6.1
157.10181	14.1
159.11694	23.5
161.09576	2.2
161.13261	10.1
163.11197	3.9
163.14825	3.7
165.12724	4.4
166.43349	1.8
167.08636	2.2
169.10138	8.9
171.10347	3.6
171.11612	11.3
173.13264	13.6
175.14824	8.2
177.12749	2.4
179.10860	2.0
179.14352	2.3
183.11703	9.5
185.13263	10.7
187.14818	10.1
189.11232	9.6
189.12769	3.1
193.12259	7.4
195.11728	4.0
197.13274	8.4
199.14862	5.8
201.16417	2.1
209.13275	3.4
211.14903	4.5
213.16409	2.6
215.17798	2.1
221.15427	2.4
225.14774	2.6
227.12756	12.9
237.16483	3.0
239.16403	5.5
243.21062	4.2
255.15894	2.7
259.20612	6.0
261.22153	9.7
267.15970	19.6
273.16745	2.3
285.22092	3.9
287.23611	5.4
289.21701	9.1
301.25244	10.5
303.23315	4.6
305.25064	2.7
317.24866	3.9
331.22668	2.2
333.24313	4.4
335.25781	16.9
341.24805	2.7
343.26437	2.2
359.25824	4.4
363.25314	8.4
397.34665	2.4
415.09631	2.1
417.31512	5.4
423.27112	3.0
435.27713	2.3
435.32739	17.3
453.33728	16.8
471.34811	10.7
475.30545	2.1
509.36118	7.1
527.37366	69.9
545.30499	3.6
545.38367	51.3
559.40155	11.3
577.41376	14.0
577.50677	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	577.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06018	1.6
53.03943	2.6
55.01863	4.3
55.05516	11.4
57.03429	4.1
57.07079	11.7
59.21432	1.3
61.97404	1.3
67.05243	1.4
67.05513	16.9
69.07072	21.3
71.08624	6.4
71.51109	2.2
79.05495	16.7
81.07063	14.0
83.08633	8.1
84.12095	1.4
85.10186	3.1
91.05472	5.4
93.07043	5.7
95.04985	1.7
95.08607	12.3
97.06538	100.0
97.10148	6.4
98.06870	4.8
99.08084	3.3
103.05462	3.1
104.21435	1.4
105.06988	2.3
107.08577	4.1
109.10140	6.3
111.11693	1.7
117.07034	2.5
119.04956	4.5
121.06495	6.7
121.10170	9.3
123.11687	2.6
133.06488	3.1
135.07991	1.9
135.11653	4.7
137.06003	2.0
145.06482	2.0
147.04424	6.4
147.08041	2.5
148.05203	2.7
149.05986	14.8
149.13219	1.6
151.07544	4.8
153.05467	21.3
154.06248	2.0
159.08104	1.6
161.05991	3.2
162.06702	2.1
163.07495	5.1
165.05486	2.3
166.06277	2.1
167.07028	1.5
175.07422	1.7
177.09090	10.5
179.07051	19.4
180.07837	16.6
181.08598	29.2
191.07025	11.9
193.08600	2.4
198.08868	3.0
199.09274	1.8
201.09180	2.1
205.08659	3.0
205.12083	2.7
209.08051	3.2
233.11743	45.6
242.02953	1.6
247.24281	2.9
249.11122	4.4
251.12773	6.0
259.13312	4.8
265.25262	5.7
277.14362	31.3
295.15372	21.2
445.32025	1.8
577.51709	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	7.3
55.01862	8.4
55.05513	41.8
57.03436	11.3
59.04992	3.8
61.73729	2.8
63.58000	2.7
65.03929	6.3
66.78821	4.2
67.05510	87.1
69.07072	26.1
70.15492	3.0
71.05007	17.0
73.06570	3.1
79.05502	68.3
81.03440	21.1
81.06593	6.4
81.07062	100.0
83.04974	11.9
83.08631	20.4
85.06536	11.6
91.05491	64.6
93.07058	70.9
95.04999	16.0
95.08070	5.8
95.08622	67.4
97.02845	3.9
97.06538	11.9
97.10168	14.5
99.08085	3.9
105.07050	52.7
107.08611	36.9
109.06521	4.7
109.10169	28.5
111.04504	3.1
111.08084	7.9
114.63705	3.0
115.05431	4.6
117.07027	21.5
119.08584	48.2
121.06516	6.6
121.10159	33.4
123.08035	4.7
123.11715	13.2
125.09631	12.7
128.06178	4.1
129.07008	12.0
131.08586	34.1
133.06506	3.6
133.10168	26.0
135.08095	6.8
135.11726	14.6
137.13283	6.0
141.06946	4.2
143.08548	11.9
144.09297	3.1
145.10124	33.9
147.11693	32.5
149.09621	5.0
149.13261	9.3
153.12758	3.4
155.08572	5.9
157.10132	17.8
159.11708	26.5
161.09702	3.4
161.13283	15.5
165.12740	5.4
169.10167	7.7
171.11674	13.1
173.13228	14.9
175.14822	9.1
177.12747	4.4
181.10132	4.9
183.11702	9.4
185.13304	8.9
187.14844	7.4
189.11223	8.6
193.12227	13.2
195.11646	4.1
197.13232	7.4
199.14830	7.7
209.13214	3.5
213.16415	5.1
221.13322	3.3
227.12769	14.8
229.44705	3.5
235.16777	3.5
239.16437	5.2
259.20514	4.3
261.22113	12.2
267.15875	27.4
287.23645	4.9
289.21588	6.4
297.22244	3.3
301.20123	3.5
301.25290	12.8
303.23175	3.7
335.26065	18.8
363.25165	4.4
407.33047	3.8
417.31253	6.8
435.27408	3.4
435.32831	18.0
453.33414	12.7
471.34796	13.9
501.35574	4.4
509.36115	5.0
518.54889	3.8
527.37305	65.9
545.38391	52.9
559.39893	11.6
566.65344	3.1
577.40674	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	577.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.5
55.01868	10.1
55.05513	48.6
57.03437	12.2
57.07065	5.6
65.03949	4.6
67.05508	93.1
69.03434	4.5
69.07070	26.7
69.59783	14.3
69.60202	6.1
71.04990	4.9
79.05499	60.3
81.03431	7.5
81.07063	100.0
83.04974	10.8
83.08619	27.0
85.02950	3.0
85.06538	4.5
91.05483	58.7
93.07047	71.5
95.04947	4.5
95.08615	64.8
97.06530	6.9
97.10167	26.1
99.00806	5.8
99.08131	4.2
105.07036	51.5
107.04968	5.8
107.08595	42.7
109.02877	8.6
109.06542	7.1
109.10145	38.3
111.08119	5.4
117.07027	23.9
119.08582	34.2
121.06526	7.6
121.10152	25.1
123.08103	5.2
123.11731	13.0
125.09627	17.7
129.07011	11.6
131.08542	24.3
133.10136	47.2
135.08115	4.6
135.11711	19.5
141.07056	3.3
143.08542	15.2
145.10126	20.9
147.11673	16.7
149.09659	5.0
149.13260	11.2
151.11150	15.3
153.12704	4.9
155.08624	5.7
157.10139	8.8
159.08157	3.8
159.11681	18.3
161.09650	14.8
161.13268	13.3
163.11162	6.1
163.14847	4.4
169.10147	4.7
171.10257	3.5
171.11716	12.6
173.13272	8.7
175.14792	6.2
177.12735	4.4
179.10756	6.8
181.10146	5.0
183.11671	5.7
185.13330	8.1
187.14827	4.2
189.09157	8.4
189.11195	10.8
189.16420	5.1
191.10603	3.4
195.11855	4.7
197.13402	4.3
201.16266	4.1
210.79617	3.1
213.12888	3.8
225.11215	11.3
227.12758	23.5
241.19461	5.5
243.12326	4.9
243.21086	5.6
259.20566	4.9
261.22137	27.1
277.21716	7.3
279.23297	7.8
281.13803	6.9
287.23776	4.1
291.70352	3.3
299.14798	23.7
299.20044	3.4
313.21634	4.2
315.23215	11.5
317.24820	4.9
333.24808	3.9
335.25772	19.2
380.75656	3.5
421.31042	6.7
439.32172	7.5
443.81360	3.2
449.30438	8.8
457.33234	3.7
467.31567	17.2
485.32407	17.7
501.35623	4.3
513.35730	12.9
519.36816	5.8
527.37073	9.2
531.36884	15.9
541.35278	36.1
545.38214	10.2
559.36218	33.8
577.36871	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	577.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.5
55.01868	10.1
55.05513	48.6
57.03437	12.2
57.07065	5.6
65.03949	4.6
67.05508	93.1
69.03434	4.5
69.07070	26.7
69.59783	14.3
69.60202	6.1
71.04990	4.9
79.05499	60.3
81.03431	7.5
81.07063	100.0
83.04974	10.8
83.08619	27.0
85.02950	3.0
85.06538	4.5
91.05483	58.7
93.07047	71.5
95.04947	4.5
95.08615	64.8
97.06530	6.9
97.10167	26.1
99.00806	5.8
99.08131	4.2
105.07036	51.5
107.04968	5.8
107.08595	42.7
109.02877	8.6
109.06542	7.1
109.10145	38.3
111.08119	5.4
117.07027	23.9
119.08582	34.2
121.06526	7.6
121.10152	25.1
123.08103	5.2
123.11731	13.0
125.09627	17.7
129.07011	11.6
131.08542	24.3
133.10136	47.2
135.08115	4.6
135.11711	19.5
141.07056	3.3
143.08542	15.2
145.10126	20.9
147.11673	16.7
149.09659	5.0
149.13260	11.2
151.11150	15.3
153.12704	4.9
155.08624	5.7
157.10139	8.8
159.08157	3.8
159.11681	18.3
161.09650	14.8
161.13268	13.3
163.11162	6.1
163.14847	4.4
169.10147	4.7
171.10257	3.5
171.11716	12.6
173.13272	8.7
175.14792	6.2
177.12735	4.4
179.10756	6.8
181.10146	5.0
183.11671	5.7
185.13330	8.1
187.14827	4.2
189.09157	8.4
189.11195	10.8
189.16420	5.1
191.10603	3.4
195.11855	4.7
197.13402	4.3
201.16266	4.1
210.79617	3.1
213.12888	3.8
225.11215	11.3
227.12758	23.5
241.19461	5.5
243.12326	4.9
243.21086	5.6
259.20566	4.9
261.22137	27.1
277.21716	7.3
279.23297	7.8
281.13803	6.9
287.23776	4.1
291.70352	3.3
299.14798	23.7
299.20044	3.4
313.21634	4.2
315.23215	11.5
317.24820	4.9
333.24808	3.9
335.25772	19.2
380.75656	3.5
421.31042	6.7
439.32172	7.5
443.81360	3.2
449.30438	8.8
457.33234	3.7
467.31567	17.2
485.32407	17.7
501.35623	4.3
513.35730	12.9
519.36816	5.8
527.37073	9.2
531.36884	15.9
541.35278	36.1
545.38214	10.2
559.36218	33.8
577.36871	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	576.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80664	0.7
53.03933	0.9
53.57067	0.7
55.05501	2.1
57.03438	1.4
61.02928	1.5
62.06072	0.8
64.44628	0.7
67.05505	2.8
69.03436	7.0
69.07059	1.9
69.72637	2.2
69.73049	2.0
70.06585	1.1
71.04998	1.1
71.08638	8.7
72.08154	2.8
73.02921	1.3
81.03394	2.6
81.07051	2.6
84.04478	0.9
84.08144	2.5
85.02911	5.5
86.06075	17.1
87.04490	0.9
91.05479	4.2
93.07056	3.6
95.08611	8.6
96.08130	4.2
97.02902	4.0
98.06061	1.4
98.09702	5.5
99.04467	2.1
99.08090	8.0
105.07028	0.7
107.08616	1.5
108.08111	2.6
109.02861	1.3
109.10154	2.7
116.10738	46.6
119.08591	9.3
122.09679	1.8
123.08060	0.8
123.55119	0.6
123.61172	0.8
124.07630	1.6
127.03926	3.3
129.07103	0.7
137.09615	8.8
138.03688	0.7
138.84290	0.8
140.10699	0.9
142.08650	3.2
143.10670	2.9
145.04982	1.5
147.08058	2.0
154.15903	2.4
165.09142	3.1
166.15897	1.6
167.02742	0.7
178.15926	1.9
183.10188	2.4
196.17001	6.3
201.11191	3.5
214.18036	100.0
215.18343	1.4
245.13821	1.0
254.21184	3.4
256.19073	2.3
261.13376	2.5
280.19040	4.3
286.90021	0.8
298.20169	3.4
316.21210	50.9
318.86105	0.8
376.23331	12.5
414.28485	13.8
478.26572	12.8
576.33942	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	577.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17683	2.3
69.03442	3.2
70.40146	4.8
79.02168	2.9
85.02917	5.2
85.68449	2.4
89.19825	2.6
91.25795	2.8
94.93027	16.5
95.74879	2.6
96.92882	3.7
112.89642	4.6
116.93124	2.9
123.37790	2.6
127.04025	3.1
136.94051	4.9
156.04263	8.5
187.85190	2.8
202.89119	5.0
232.90189	11.9
234.89996	40.3
234.92128	4.7
281.21185	3.2
288.86877	3.5
294.93036	5.9
577.16815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.01864	0.4
55.05503	1.0
56.48058	0.3
57.03439	0.4
60.00253	0.3
61.02922	0.8
61.67796	0.3
62.06085	0.7
67.05502	1.7
69.03075	0.4
69.03429	2.9
69.07054	0.8
70.06583	0.8
71.04996	0.3
71.08288	0.4
71.08638	4.0
72.08154	1.1
73.02914	0.5
79.05496	0.6
81.03412	1.0
81.07049	1.0
83.08614	0.5
84.08135	1.3
85.02910	3.5
86.06078	4.4
87.04468	0.7
91.05493	2.6
93.07058	1.8
95.08615	4.1
96.08160	1.8
97.02919	2.0
98.06065	0.5
98.09690	2.5
99.04457	0.6
99.08084	1.9
100.99887	0.3
101.02366	0.4
105.07024	0.5
107.93900	0.3
108.08138	1.4
109.02865	0.5
109.10152	1.8
116.10741	15.1
117.07021	0.4
119.08598	4.1
122.09665	0.7
124.07547	0.6
127.03912	0.9
129.98390	0.3
137.09636	4.4
140.10632	0.5
143.10704	1.6
145.04971	0.5
147.08035	1.0
153.45160	0.3
154.15894	2.7
155.10655	0.5
164.14464	0.4
165.09108	2.1
166.15933	2.1
168.17508	0.7
178.15878	1.4
183.10158	2.2
196.16998	6.7
201.11234	4.2
214.18034	100.0
215.18390	0.9
280.18979	0.4
316.21246	2.6
345.15619	0.3
376.23337	20.0
414.28522	5.3
478.26892	0.4
576.33875	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	573.3039
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
53.03946	1.3
55.05521	5.4
57.01995	0.8
57.03438	5.5
57.07079	28.6
60.99548	0.9
63.49814	0.8
67.05515	12.4
69.03447	0.9
69.07070	7.5
69.97641	3.3
71.05000	1.3
71.08244	0.9
71.08635	18.9
78.55044	0.7
79.05492	3.6
81.03418	5.2
81.07061	12.0
83.08632	7.6
85.02883	1.0
85.10184	8.9
89.06056	0.8
91.05470	3.3
93.07040	3.9
95.08610	14.3
97.06515	1.9
97.10164	3.8
98.98472	31.5
105.07021	2.6
107.08579	2.1
109.02892	2.8
109.10171	7.7
111.11706	1.1
119.08595	2.1
121.10145	1.5
123.11729	2.2
123.95083	0.8
125.09652	1.1
127.03863	0.9
131.08545	1.6
135.11624	1.4
137.13167	1.3
145.10187	0.7
145.64061	0.8
154.99754	1.4
155.01045	25.7
179.00797	0.8
239.23665	3.1
261.03638	1.7
265.23471	0.7
275.20059	1.3
313.27377	100.0
314.27695	2.1
317.06403	2.8
318.77408	0.7
335.07474	3.1
349.23877	0.7
384.24579	2.2
393.23920	4.3
401.28934	2.4
537.27789	2.1
555.36652	1.2
573.40326	1.0
573.48572	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	574.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25888	0.7
53.03935	3.0
55.05507	2.0
57.07065	3.1
64.39383	0.9
66.04726	7.4
67.05502	4.1
69.07067	1.3
69.93475	1.2
69.93862	1.9
71.08618	2.4
79.05502	12.9
81.07059	9.5
82.07381	0.8
83.04958	0.7
83.08601	0.9
84.61214	0.7
85.10200	0.9
87.04477	7.2
91.05469	2.3
93.07040	2.9
94.03606	1.4
94.04189	21.9
94.70601	0.8
95.04967	3.5
95.08616	3.1
105.03396	3.3
105.04526	1.5
105.07024	1.2
107.04964	1.0
107.08592	2.1
109.06523	51.2
109.10189	1.5
111.04459	1.1
121.10133	1.3
122.03667	1.1
123.04440	1.0
126.03154	1.0
133.02853	3.4
135.11703	0.8
137.05984	100.0
138.06429	0.8
151.03928	2.1
154.06255	2.5
155.07042	1.0
159.11586	0.8
165.05486	33.6
166.05933	0.7
169.04970	1.4
179.03406	1.8
182.05815	4.3
183.06534	2.5
193.04976	35.4
193.06747	1.8
197.08101	27.0
208.19675	0.7
211.05962	3.8
215.06578	0.6
225.07590	91.5
243.08690	1.1
262.22467	0.8
283.15375	1.0
301.16641	1.4
313.27356	2.2
539.38934	1.1
574.40668	1.1
574.49060	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	575.6129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.05275	2.5
55.05520	37.1
57.07080	73.1
59.19484	1.5
65.03954	2.7
67.05512	67.6
69.07072	62.1
69.55239	3.0
69.55647	6.0
71.08640	52.2
72.57363	1.6
79.05505	16.0
81.07063	92.4
82.07392	2.4
83.08627	54.7
84.28710	1.5
85.06538	3.2
85.10191	31.7
87.04478	4.8
91.05466	7.1
93.07063	17.1
95.08615	100.0
96.67207	1.3
97.06507	1.8
97.10181	40.6
99.11732	4.6
105.07043	6.1
106.07403	1.7
107.08599	7.2
109.10170	53.6
110.10501	1.8
111.11740	25.7
113.13335	1.9
119.08620	4.6
121.10140	7.0
123.11725	24.7
125.13277	16.1
127.14821	2.5
133.10118	3.5
135.11702	3.4
137.13260	12.2
139.14879	3.5
145.10138	1.9
147.11723	2.8
149.13223	2.9
151.14890	7.5
153.16374	1.9
161.13277	2.2
163.11298	2.0
165.16429	6.4
179.09317	1.6
179.17970	3.0
203.03943	1.7
239.23816	5.1
243.21327	1.4
248.12834	1.9
251.83353	1.4
258.33972	1.6
263.21103	1.5
263.23792	3.9
263.26898	1.8
291.30405	1.9
361.38211	2.2
482.39368	3.4
557.60358	8.7
558.42017	2.4
575.41779	4.0
575.50317	66.2
575.61206	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	573.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67968	1.6
54.38669	1.4
54.40494	1.3
54.42242	1.4
55.01861	3.0
55.05510	5.3
67.05515	12.9
69.07078	3.5
70.84988	3.7
72.51577	1.4
79.05501	13.9
80.67883	1.6
81.07050	13.2
83.04988	1.9
83.08636	3.7
85.06538	1.6
91.05487	9.3
93.07059	12.5
93.73421	1.9
95.08632	6.3
97.06535	3.3
97.10205	2.3
103.08035	1.7
105.07059	9.4
107.04979	4.0
107.08620	6.7
108.08139	4.4
109.10173	2.3
117.07048	2.9
119.08601	6.3
121.10172	3.7
133.10120	2.2
134.06076	2.8
135.11705	2.6
145.10164	3.1
147.11734	5.4
149.09645	3.0
157.10132	2.5
158.09674	2.5
159.09280	1.9
161.13278	3.3
163.11243	1.6
171.09135	2.2
171.11812	3.3
181.21872	1.6
183.09215	4.0
185.10786	2.1
187.08679	2.5
194.09698	2.4
195.09270	2.0
196.09964	4.5
197.10768	9.5
198.07851	2.0
198.11549	3.5
199.08690	2.9
207.13828	1.8
209.10843	4.6
210.11571	4.4
211.08752	3.7
211.12364	5.3
212.09572	2.4
213.10339	3.2
223.08688	3.7
224.09482	5.5
225.10320	7.5
225.13794	10.6
226.11028	2.2
227.08208	6.7
227.11899	3.3
228.09073	1.9
237.10283	7.0
238.11090	6.0
239.11838	17.6
240.12720	6.2
241.09775	11.5
241.13446	3.5
251.11940	3.6
253.13387	52.3
255.11375	4.8
265.13666	2.2
266.58780	1.5
271.06079	1.6
275.20126	7.4
276.11499	1.9
281.17386	3.6
283.10934	3.7
287.10751	3.1
287.14157	1.8
288.11398	6.9
288.14905	1.6
291.14786	1.9
297.12378	5.9
301.12387	4.8
302.12897	20.2
303.13589	9.1
304.14423	1.8
314.13239	3.0
315.13428	10.3
316.14432	16.3
317.15240	15.8
318.12955	2.6
318.15952	9.6
328.10846	3.3
330.16104	7.2
331.16858	15.2
332.10513	4.5
332.13980	1.9
332.17551	28.8
333.11011	1.8
342.12350	1.8
343.13318	4.5
344.13879	2.4
344.17639	2.6
345.11206	3.0
346.12164	18.1
346.19122	40.0
347.12781	6.6
347.19833	26.3
348.20624	8.9
349.23914	2.6
358.15628	17.4
360.13455	22.1
361.14206	14.9
362.14990	11.6
372.17282	4.6
374.15067	3.1
374.18872	11.0
375.15778	29.8
376.16599	36.9
390.18158	100.0
391.18964	41.8
392.19641	9.3
425.19946	2.0
435.18613	2.3
437.16568	1.9
449.19995	2.3
453.19409	3.7
493.18948	3.9
511.27075	5.8
512.25220	2.1
523.23724	4.0
525.21228	4.4
529.28168	28.1
537.25085	8.5
539.23895	2.0
555.26056	79.5
573.27130	68.0
573.48712	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.9
51.52530	1.9
53.03943	6.0
55.01865	4.8
55.05515	77.8
57.03429	3.1
57.07066	2.2
58.99592	16.3
59.05000	2.4
61.01133	2.9
61.02930	6.4
65.03929	4.0
67.05507	13.7
68.99782	5.9
69.03430	14.0
69.07074	24.6
69.62394	13.3
71.04993	3.3
73.02927	3.0
79.05493	13.3
81.03416	5.9
81.07059	22.2
83.04985	100.0
83.57742	2.5
85.01138	3.2
85.02908	7.3
85.06557	12.8
86.99063	18.1
87.00835	8.5
89.00615	4.3
91.05485	39.1
93.07050	36.8
95.04975	21.4
95.08614	17.2
97.01106	11.9
97.02894	4.5
97.06541	7.9
98.06860	1.9
99.04456	4.5
101.06025	7.7
105.00065	2.1
105.01868	2.5
105.07037	28.8
107.04950	3.1
107.08598	18.6
109.02908	2.5
109.06499	9.7
109.10168	7.8
111.02674	4.3
111.08066	2.7
111.11722	4.8
114.09157	2.5
115.05440	3.5
117.00076	22.2
117.07034	22.8
117.70475	2.0
119.05013	2.4
119.08590	62.2
121.06519	8.9
121.10148	6.1
123.08093	2.4
125.04236	7.6
125.05952	2.9
127.03889	5.1
127.07552	5.0
128.06248	3.0
129.01854	9.4
129.06998	8.6
130.07774	3.3
131.03395	4.0
131.08575	21.4
133.01302	10.0
133.06487	5.4
133.10117	11.3
135.08054	7.8
135.11711	4.4
137.04185	3.3
137.06047	4.3
137.09608	4.7
139.07549	3.0
139.11177	6.7
141.06975	3.6
142.07787	8.7
143.08543	10.4
144.09334	2.2
144.99602	5.0
145.06493	3.8
145.10139	18.7
147.02893	2.4
147.08006	14.5
147.11708	6.2
149.04169	4.5
149.05995	7.4
149.09563	3.8
151.05768	30.1
151.07582	4.5
151.11195	2.4
153.03728	2.8
153.07101	2.3
153.09102	2.2
154.07834	2.3
155.08586	8.7
157.10147	21.6
158.07213	1.9
159.08067	5.0
159.11679	15.4
161.09636	5.2
161.13307	2.2
163.05782	3.7
163.07489	3.1
165.09106	20.3
166.07993	2.0
168.09366	6.0
169.10201	3.3
171.04741	2.5
171.11696	7.8
173.09619	6.0
173.13310	11.0
175.02386	44.6
175.11198	14.5
177.12747	3.8
179.05261	11.6
181.03401	2.5
181.08691	2.7
181.10167	4.8
182.10777	2.7
183.04858	2.1
183.11705	13.7
185.09692	3.7
185.13223	2.3
187.07489	2.9
187.11148	4.2
189.07413	3.1
189.09093	2.2
197.06340	20.6
199.04239	6.5
199.11188	5.8
201.12799	15.4
203.10670	4.3
205.06740	2.8
205.10480	2.5
207.08122	2.1
211.11140	5.2
215.08939	9.5
217.01735	4.1
217.10393	2.1
217.12286	6.8
219.13808	8.8
223.07977	2.2
229.12276	31.9
233.09941	8.4
235.11282	2.3
235.13403	3.1
237.09459	2.3
241.08849	3.2
247.13263	16.4
251.11096	7.9
255.10721	2.8
261.09473	11.9
265.14215	4.3
279.10532	28.1
297.11569	45.7
307.26285	6.2
323.13019	3.9
325.27542	3.8
327.09003	3.3
341.14139	6.0
351.12610	4.4
369.13660	6.7
373.09311	3.3
387.14954	2.4
397.16318	2.3
401.37115	2.3
409.12958	2.0
427.14136	9.1
437.12775	7.2
455.13699	5.7
473.14920	11.2
516.73517	2.1
531.75977	2.0
555.18677	6.6
573.19794	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	572.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.7
57.03427	2.9
67.05496	10.0
69.03416	4.9
69.07070	12.8
71.05017	2.9
71.50366	3.1
79.05482	9.0
81.03457	3.5
81.07068	20.1
83.08591	7.4
85.02904	18.6
87.00873	12.7
91.05493	4.5
93.07038	10.3
95.08616	21.0
97.02905	6.0
97.06556	3.1
97.10193	3.5
105.01865	33.9
105.07034	12.9
107.08608	14.5
109.10173	15.5
113.58314	2.4
119.08595	10.5
120.97327	2.5
121.02777	2.7
121.10165	13.3
123.11651	5.0
127.03919	16.2
131.08585	4.6
133.10123	10.3
135.11708	6.8
137.13226	3.5
142.50209	2.4
145.04987	5.8
147.11636	5.0
149.13260	7.3
159.11707	3.4
161.13274	8.9
163.14888	4.3
165.97456	2.6
173.13191	4.3
175.14844	22.4
187.14796	9.0
189.16345	4.5
201.16379	8.4
215.17970	10.5
229.19406	3.0
231.05037	9.6
249.06152	14.3
271.21271	4.7
271.24234	100.0
272.24478	2.9
284.09744	3.2
355.58752	2.6
368.02466	2.6
457.88129	3.5
491.35626	3.0
572.30713	3.0
572.47388	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	572.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54459	0.7
51.54856	0.9
52.51406	0.8
53.03934	1.1
55.05518	2.3
57.07067	1.2
67.05495	3.2
69.03416	2.7
69.07073	8.8
70.14801	2.6
79.05494	2.6
81.03423	1.4
81.07061	15.3
83.08642	3.8
85.02909	8.7
87.00847	3.6
91.05486	6.2
93.07057	7.4
95.08617	12.5
97.02885	3.0
105.01866	16.6
105.07036	20.3
107.08604	8.3
109.02886	1.1
109.10167	17.3
111.11734	5.4
119.08585	10.3
121.10152	8.8
123.11716	4.7
125.13281	8.4
127.03921	7.4
131.08557	3.0
133.10144	5.5
135.11723	4.4
137.13234	2.2
145.04982	3.2
145.10149	3.3
147.11687	3.6
149.13264	4.3
159.11723	2.9
161.13277	9.2
163.14844	4.2
173.13232	2.0
175.14824	10.2
177.16435	3.5
187.14857	5.2
189.16365	3.3
201.16376	5.4
203.18042	1.1
215.17982	7.7
229.19528	4.3
231.04991	5.0
243.20988	1.8
249.06049	7.8
271.24222	100.0
272.24640	1.0
316.58243	0.8
507.05435	0.9
572.18933	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.5
61.02923	0.8
64.74048	0.5
66.92005	0.6
69.03429	2.2
69.70884	3.0
70.06575	1.1
72.08160	0.5
81.03427	0.9
85.02916	6.0
91.05484	0.6
94.04213	1.8
95.98096	0.4
97.02898	1.4
105.07088	0.5
109.06500	0.7
115.05438	0.6
119.04932	0.6
121.06503	0.6
122.03662	4.4
125.05968	0.7
127.03925	1.0
131.04922	1.1
133.02881	0.6
137.05991	100.0
138.06310	0.7
143.04956	0.9
145.04956	1.4
149.06012	1.3
151.07599	0.7
159.04482	0.6
161.05980	2.9
163.07712	0.8
165.05585	0.7
173.50281	0.6
175.07579	3.4
179.07097	1.4
179.08540	0.6
191.07053	4.0
203.07121	2.3
205.06529	0.5
207.08105	0.9
221.05922	1.5
221.07991	1.0
222.06926	0.6
224.08453	0.7
225.09070	0.7
234.06834	0.9
237.09113	1.5
238.06293	0.5
239.07062	0.7
239.10724	1.0
249.09180	1.5
250.06227	0.6
251.07027	0.7
253.08672	2.0
255.10260	0.6
262.06210	1.1
265.08636	2.7
266.09421	0.9
267.10233	2.7
269.08093	0.8
270.08936	0.5
277.08673	2.4
279.06628	0.6
281.08353	0.6
284.10324	1.0
285.11188	3.9
294.08978	2.1
295.09634	1.2
297.11118	2.9
299.12991	0.7
309.11243	9.3
315.12216	4.2
325.11005	0.7
327.12274	9.6
345.13351	32.2
357.13281	0.9
399.64648	0.6
416.50272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	27.5
55.05513	5.6
58.99575	3.4
59.04995	4.1
67.05505	4.6
69.03426	6.2
70.06579	8.0
71.50844	2.4
74.00663	6.2
76.02222	7.0
76.04021	3.6
79.05486	4.3
81.07058	3.8
82.06553	2.6
83.04963	3.3
83.06091	9.6
83.46847	2.3
84.04054	4.2
84.04513	55.7
85.04031	11.1
85.06538	5.4
86.09702	6.3
90.03428	2.2
91.05471	4.8
92.01688	2.9
93.07024	3.0
95.08616	6.2
96.08077	2.6
97.06515	3.0
99.05555	5.0
105.07007	2.9
107.08574	2.8
112.03983	25.0
119.04920	5.1
121.06500	5.5
122.09687	3.2
123.08064	3.9
124.07555	2.6
125.09586	2.9
129.06584	20.2
130.05016	100.0
131.04539	8.8
131.08601	4.7
135.08072	2.7
137.06044	3.7
143.08542	5.4
143.10689	2.4
145.06178	5.3
146.07214	2.7
147.04398	12.8
149.05954	7.0
150.06760	7.8
153.03726	3.8
153.06596	4.5
155.01639	4.1
155.08243	3.4
159.08040	10.2
160.08856	4.1
161.05978	8.5
162.06755	4.0
163.07544	3.6
165.03697	3.2
169.03238	7.4
170.08139	4.4
171.08038	4.6
172.08824	5.4
173.09587	4.9
174.06787	4.2
175.05980	3.5
175.07536	14.4
176.08310	6.3
177.03348	22.6
177.09102	5.7
179.04919	2.8
180.41890	2.4
181.03203	8.5
183.04770	30.8
185.09605	7.7
187.07573	14.3
188.08371	17.7
189.09116	13.1
189.12808	3.4
190.09946	4.7
191.05325	4.2
191.06982	5.4
193.03162	8.1
193.06859	5.4
195.04742	8.2
199.07318	8.5
203.05287	8.1
205.06825	5.2
205.08519	2.9
206.09430	13.4
207.04735	25.6
209.02582	2.3
209.06383	13.7
213.09102	10.5
214.09711	2.5
215.10645	4.3
217.12276	4.0
218.04002	2.9
219.04883	3.4
219.08420	7.8
221.06334	49.1
223.07825	15.5
227.10605	4.7
228.11479	11.3
229.06776	5.0
229.12297	14.3
231.04555	3.5
233.06284	5.5
233.09866	3.9
239.07224	4.3
247.07890	52.5
247.13264	4.1
249.09485	6.4
261.09464	52.0
264.10583	5.0
265.08966	27.9
279.10535	22.5
287.11115	4.8
297.11639	4.4
304.13678	6.8
305.12186	11.7
306.14844	3.3
318.17026	8.2
320.09592	2.3
322.14764	6.9
323.13293	3.5
340.15536	2.6
350.10593	11.0
367.13211	42.6
368.33911	2.3
385.14374	11.4
390.14066	3.4
395.16318	10.0
407.16382	79.3
410.21780	5.4
421.14047	4.4
425.17535	21.2
439.15268	10.6
443.18582	26.0
461.17230	5.4
479.18579	12.0
497.19641	29.7
514.18536	3.4
536.20526	3.5
554.21423	7.1
572.22681	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	570.356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82623	0.4
55.05523	0.8
56.57250	0.4
57.03460	0.5
57.07079	3.8
66.90399	0.3
67.05506	3.4
68.05840	0.5
69.07082	1.4
69.52496	2.8
71.08643	3.2
75.91911	0.4
79.05505	3.0
80.05829	0.6
80.23325	0.4
81.07067	2.4
83.08633	0.8
85.10192	1.1
89.06048	4.1
91.05485	2.3
93.07043	2.6
94.07381	0.5
95.04977	1.5
95.08624	2.0
96.08924	0.5
97.10183	0.6
98.20813	0.8
98.98479	2.3
105.07103	2.0
107.08599	1.8
108.08949	0.5
109.06553	0.5
109.10185	0.9
115.05462	0.7
117.07030	1.5
118.06551	3.7
119.07343	3.9
119.08599	1.0
121.10172	0.6
123.04475	1.0
125.00013	10.8
125.09603	0.5
130.06516	0.6
131.08583	0.9
133.08641	2.5
133.10138	0.8
134.09659	31.4
135.11725	0.6
144.08087	11.3
145.08911	5.7
145.10072	0.6
160.11227	100.0
161.11612	1.0
162.09119	0.8
163.11221	0.5
173.65247	0.5
175.92174	0.4
177.11198	0.9
178.12282	81.3
195.57991	0.4
207.13850	0.4
235.13326	1.2
236.13449	0.4
258.08926	64.3
259.09186	0.8
313.27325	0.8
326.98648	0.4
332.12619	0.9
371.22772	0.6
479.02505	0.5
552.34454	6.1
570.35364	20.3
571.35852	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2554
Annotation	Turraflorin D
Peak:m/z	Relative Intensity
53.03937	4.5
55.05515	49.7
57.07081	18.4
65.03938	3.1
67.05509	41.7
69.03424	1.7
69.07072	49.9
69.40463	10.2
71.04991	1.2
71.08630	13.6
74.39301	1.4
79.05501	40.1
81.07063	36.6
83.04983	2.5
83.08625	38.8
85.10186	5.7
89.06025	12.8
89.94582	1.1
91.05486	25.2
93.07050	38.9
94.43239	1.2
95.04969	4.3
95.08617	29.5
97.06527	2.7
97.10184	31.7
105.04511	1.7
105.07036	15.1
107.08611	18.4
109.06550	2.7
109.10178	13.3
111.11721	10.6
111.71027	1.3
115.05467	1.5
117.07024	5.3
118.08704	1.3
119.08575	11.8
121.10137	18.8
123.08067	1.7
123.11709	3.3
125.13280	3.5
131.08592	7.7
133.08638	4.4
133.10156	9.5
135.11711	12.6
137.09729	1.5
143.08531	2.4
145.10127	6.8
147.11720	4.4
149.13277	5.7
155.08456	1.3
157.15047	1.4
159.11748	4.8
161.13254	3.1
163.14890	1.6
163.41830	1.7
171.11743	2.4
173.13254	3.1
175.14891	3.0
177.11327	2.1
221.15378	3.0
234.89836	1.7
237.22240	1.6
248.87984	1.8
259.20679	1.6
261.22192	4.6
276.91116	2.4
311.25977	1.9
317.24994	1.9
318.92227	1.7
331.92917	1.9
351.16180	2.0
354.19534	1.6
365.17740	3.7
369.18488	1.4
372.23041	1.5
376.16577	1.4
379.19547	3.6
380.19965	3.1
381.20901	3.6
393.17157	4.9
407.18835	2.9
408.19766	1.7
409.20651	1.6
436.19495	2.0
437.19675	16.3
450.20505	3.1
451.21179	8.0
461.19650	2.9
465.22916	9.5
479.20773	56.7
480.21542	2.5
493.22244	16.1
497.21710	13.7
521.22028	5.1
535.23529	5.5
539.22937	95.8
540.23315	2.5
553.24426	24.8
565.91113	2.8
571.25940	14.3
571.47333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14058	1.8
53.03947	7.4
55.01887	4.8
55.05514	66.6
58.06513	2.1
62.99515	2.2
65.03950	3.3
67.05505	13.4
69.03421	5.3
69.07068	4.7
69.82408	10.9
72.85515	2.4
75.23812	2.0
79.05508	16.3
81.03422	2.9
81.07063	29.5
83.04984	100.0
83.08630	3.9
84.05350	2.0
85.06490	2.3
91.05493	23.8
93.07062	10.3
95.04961	6.9
95.08604	5.8
97.06516	3.3
98.21497	3.1
99.08109	2.5
103.05476	2.5
105.04554	2.1
105.07032	31.1
105.73801	1.9
107.04942	7.4
107.08601	6.4
109.06531	2.1
113.06025	1.9
115.05444	7.4
117.07021	4.7
119.04977	3.9
119.08581	13.3
121.06549	3.5
121.10151	9.3
123.08033	2.9
123.11698	10.8
128.06216	15.0
129.06999	20.5
131.04948	2.6
131.08560	8.0
133.06482	4.8
133.10120	2.5
135.04410	6.0
141.06985	24.8
142.07793	4.0
143.08569	22.7
145.06500	9.1
145.10158	6.2
147.08029	6.8
147.11711	36.1
149.05962	2.3
152.06203	3.8
153.07011	14.6
154.07779	33.3
155.08589	10.0
156.09328	4.0
157.06474	5.4
157.10144	3.9
158.07254	3.2
159.04465	3.5
159.08040	6.0
159.11688	4.1
161.05989	3.5
163.03935	2.1
165.06989	7.0
165.12758	34.4
166.07803	8.3
167.08542	9.9
168.09322	2.1
169.06476	4.5
169.10129	52.9
169.11580	3.0
171.08054	14.0
171.11713	6.2
172.08890	2.6
173.05975	4.0
173.09653	4.9
175.03818	2.0
178.07799	6.2
179.08578	15.1
181.06491	5.3
181.10129	7.7
182.07304	13.4
183.08026	3.7
183.13657	2.5
185.09563	3.5
187.11192	6.2
193.12239	5.2
195.07985	2.7
197.09636	61.2
199.07523	2.5
199.11237	7.8
201.05450	3.9
201.09117	4.3
207.08124	2.5
213.09035	4.0
215.10741	20.3
217.04410	2.2
225.09111	50.4
229.14369	10.1
233.13496	2.4
243.10181	73.0
245.08217	4.0
261.11252	9.9
282.42966	2.1
330.16095	2.4
361.22009	4.0
389.20963	4.4
435.21515	8.9
453.22549	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45502	1.1
51.02381	2.7
51.83070	1.2
53.03951	6.8
55.01872	2.4
55.05517	24.4
56.13575	1.2
57.03437	4.0
57.07073	4.9
62.85453	1.2
65.03940	6.2
67.05509	81.5
69.03439	2.8
69.07077	19.8
69.17022	8.5
69.17439	3.9
69.41133	1.1
71.04993	4.2
71.08616	2.5
75.47449	1.1
77.03934	2.3
79.05499	78.7
81.03418	4.7
81.07064	73.8
83.04976	4.3
83.08629	11.2
89.06030	3.4
91.05487	57.8
93.07052	76.2
95.04985	13.5
95.08612	55.7
97.06537	7.2
97.10154	3.4
99.08076	1.4
103.05489	1.4
105.04530	3.0
105.07038	38.7
107.04942	3.3
107.08606	39.9
109.06525	2.3
109.10161	19.7
111.08077	3.0
115.05466	2.4
116.06265	1.7
117.07030	16.4
119.08591	31.2
121.10155	37.2
123.04425	4.3
123.08052	3.2
123.11714	3.9
124.68010	1.2
125.09613	2.8
127.11242	1.4
128.06232	2.2
129.07040	11.9
131.08586	29.1
133.08620	1.9
133.10153	17.9
135.08046	3.5
135.11700	14.5
137.09615	2.4
137.13268	1.7
141.06975	3.0
142.07747	2.0
143.08583	11.5
145.06407	1.3
145.10139	21.7
147.08083	2.4
147.11697	11.8
149.09612	2.3
149.13217	5.9
155.08537	6.4
157.10129	11.3
159.11694	8.0
160.11201	2.2
161.09599	2.0
161.13277	5.1
163.14825	2.2
167.08531	1.5
169.10091	5.7
171.08025	1.6
171.11694	11.0
173.12018	1.3
173.13271	9.1
175.14828	3.3
178.12323	1.8
181.10162	2.5
183.11707	4.0
185.13297	5.1
187.14853	4.6
189.16423	3.7
193.10080	1.6
195.11736	3.5
197.13281	3.3
199.14882	6.7
201.16371	2.3
207.17584	1.4
209.30733	1.3
211.14784	3.1
213.16475	1.4
217.15836	3.0
223.14809	2.8
235.13300	5.3
235.16956	6.1
258.08902	2.7
261.22235	4.0
291.19586	2.0
325.25308	1.7
428.32581	1.5
477.37543	7.0
551.40521	4.3
569.42328	100.0
570.41718	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01609	1.1
51.02391	1.5
52.34361	0.9
53.03951	6.9
55.01873	2.6
55.05519	22.3
55.91993	0.9
57.03448	3.3
57.07072	3.2
58.09237	1.0
59.92095	1.1
64.08795	1.2
65.03946	4.3
67.05511	72.5
69.03444	1.9
69.07075	19.6
69.75909	6.9
71.04984	2.0
71.08638	3.0
72.15464	1.1
77.03945	2.0
79.05501	65.0
81.03436	3.0
81.07064	68.0
83.05001	4.3
83.08622	9.5
85.06555	2.7
85.10237	1.1
89.06061	2.6
91.05491	53.6
92.72080	1.0
93.07051	66.8
95.04980	10.8
95.08617	52.5
97.06556	4.2
97.10197	5.6
98.21460	1.5
99.08084	2.0
100.93530	1.0
103.05507	1.3
105.04533	4.3
105.07040	36.6
107.05003	1.9
107.08603	33.2
107.09310	1.9
108.94031	1.1
109.06551	3.7
109.10159	16.2
111.08101	3.0
115.05474	1.6
117.07021	17.7
119.08592	29.2
121.06519	2.9
121.10158	32.4
123.08107	3.7
123.11741	4.7
125.09637	1.2
128.06255	3.8
129.07011	7.4
131.08586	28.0
133.08633	2.1
133.10146	18.6
135.08153	1.4
135.11693	10.8
137.09642	2.6
141.07066	3.1
143.08588	8.3
145.10129	18.4
147.11708	10.9
149.09659	2.2
149.13269	5.8
151.11275	1.8
155.08591	4.2
157.10144	10.9
159.11691	11.6
160.11153	1.3
161.13266	7.1
163.14824	1.4
167.08621	2.0
169.10204	4.9
170.65964	1.1
171.11755	7.4
173.13268	10.4
175.14906	4.9
178.12425	1.3
181.10197	2.7
183.11745	4.4
185.13388	4.7
187.14946	4.7
189.16475	4.1
191.14377	1.8
195.11890	2.4
197.13268	2.8
199.14827	8.4
201.16460	2.5
209.13333	1.9
211.14842	2.4
213.16470	1.5
217.16045	2.8
225.16458	1.4
235.16901	6.3
261.22125	1.6
297.22339	1.4
325.25577	1.9
367.26257	1.3
459.36633	2.1
477.37646	8.1
482.23291	1.2
495.38635	3.4
515.38861	1.5
551.41052	4.9
569.24518	4.8
569.42206	100.0
570.42529	2.3
577.33130	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	7.5
55.01867	3.2
55.05272	1.5
55.05521	22.8
57.03439	3.3
57.07070	3.0
62.16042	1.1
65.03957	5.7
67.05515	74.7
69.03435	2.3
69.06730	1.8
69.07077	21.0
69.27376	11.0
71.04986	3.1
71.30848	1.1
77.03932	1.6
79.05505	73.9
81.03427	1.9
81.07066	76.3
83.04991	5.0
83.08635	9.8
85.06549	4.1
89.06049	5.2
90.81693	1.1
91.05492	70.6
92.05791	1.3
93.07056	78.4
93.29581	1.1
95.04992	9.5
95.08621	56.0
97.06526	5.2
97.10178	6.4
103.05466	2.0
105.07048	38.7
107.04957	2.2
107.08611	39.8
109.06533	5.0
109.10165	20.2
111.08076	3.6
111.11678	1.2
115.05470	2.1
117.07035	21.2
119.08601	31.5
119.09467	1.6
121.06528	2.6
121.10161	41.0
121.11046	2.2
123.08086	3.8
123.11746	6.2
125.09628	1.8
128.06154	1.3
129.07037	8.2
131.08585	25.8
133.08604	3.5
133.09177	1.5
133.10144	21.0
135.08104	2.6
135.11711	17.3
137.09647	3.0
137.13222	1.4
139.11179	1.5
142.07770	1.6
143.08586	10.1
145.10139	15.9
147.08134	1.5
147.11720	13.3
149.09613	2.7
149.13252	5.7
155.08577	3.3
157.10161	10.7
159.11731	8.2
161.09615	1.7
161.13293	7.1
163.14825	2.6
169.10196	4.0
171.11719	6.5
173.13275	9.3
175.14888	4.0
177.11330	1.5
181.10146	1.5
183.11765	3.2
185.13292	3.5
187.14882	4.6
189.16475	8.4
195.11836	1.8
197.13315	2.3
199.14844	11.0
201.16513	1.7
207.17456	1.5
208.19496	1.3
217.15871	5.7
223.14700	1.3
235.16942	10.7
236.49008	1.2
261.22229	4.3
291.19754	3.2
293.21289	1.8
335.25934	2.3
335.59033	1.3
438.39902	1.2
459.36301	1.5
460.95801	1.2
471.34805	1.5
477.37448	4.9
495.38251	3.3
551.40814	4.7
569.42102	100.0
570.42566	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	569.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
53.89835	1.4
55.01863	2.5
55.05515	74.6
57.64030	1.4
64.37579	1.3
65.03937	3.4
66.38191	1.3
67.01865	3.2
67.05512	7.2
69.03423	2.7
69.07065	3.7
71.50948	1.7
71.93368	1.3
79.05486	10.0
81.07062	16.8
83.04986	100.0
91.05490	12.9
93.07038	7.6
95.04996	8.2
95.08587	2.3
97.06525	2.0
103.05464	1.8
105.07035	11.7
107.04941	5.4
107.08586	4.4
109.06504	2.2
115.05461	5.0
117.07021	4.6
119.08554	7.9
119.21823	1.3
121.02949	1.6
121.06501	2.2
121.10159	4.2
123.08063	1.9
123.11705	4.4
124.70572	1.6
125.25204	1.4
128.06215	10.5
129.07028	18.6
131.04909	2.5
131.08583	3.3
133.10141	1.6
135.04391	3.5
135.08009	4.7
141.06984	14.9
142.07782	35.2
143.08585	8.1
144.05725	1.7
145.06494	6.7
145.07567	1.2
145.10138	1.9
147.11711	11.5
152.06252	9.8
153.06996	5.9
154.07791	5.0
155.08583	2.7
157.06491	5.4
157.10165	14.1
157.29926	1.5
159.04439	4.7
159.08073	4.3
165.07016	6.5
165.12775	6.6
166.07791	2.4
166.31104	1.5
167.08580	17.6
169.06473	4.7
169.10130	4.3
170.07268	8.3
171.08070	5.9
173.05995	2.8
175.11214	8.3
181.06596	1.7
182.07242	1.8
183.08099	2.5
185.09628	42.1
185.11281	2.2
187.07480	4.2
195.08084	17.5
197.05994	2.1
197.09656	1.9
198.06795	3.6
199.07544	4.3
213.09119	63.6
215.07072	1.7
223.07555	8.4
231.10133	1.8
241.08617	28.8
259.09689	18.4
276.29312	1.4
295.13419	1.5
313.14413	1.6
341.13907	13.3
551.19122	1.8
569.19751	13.0
569.28113	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	569.2937
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
51.43022	0.3
56.29571	0.4
67.05511	0.4
70.22073	0.4
71.51195	0.3
71.51570	0.5
90.30030	0.3
104.10751	0.4
309.16425	0.4
331.10037	0.7
344.68210	0.4
407.24026	1.6
457.20755	1.8
471.21878	2.2
487.21631	1.0
569.29370	100.0
570.29559	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	569.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.1
53.03953	7.5
55.01869	2.9
55.05515	22.2
57.03426	4.0
57.07068	4.0
60.70397	0.8
65.03937	5.0
67.05509	78.0
69.03427	3.1
69.07075	21.4
71.04984	3.2
71.08637	1.6
77.03921	1.5
79.05499	70.9
81.03425	1.4
81.07063	76.9
83.04988	5.6
83.08618	9.6
84.73806	0.8
85.06539	2.0
88.07613	1.8
89.06028	0.8
89.31104	0.9
91.05487	68.2
91.65097	0.9
93.07049	72.3
95.04971	8.4
95.08613	51.9
97.06528	6.3
97.10169	5.6
99.08078	2.7
102.09187	1.8
103.05499	0.9
105.04517	2.3
105.07037	36.6
107.05001	1.3
107.08600	37.9
109.06525	3.8
109.10162	19.2
111.08086	2.2
111.11713	1.5
113.81213	1.0
115.05447	2.1
116.94426	1.0
117.07023	22.2
117.40053	0.9
119.08592	30.2
120.08928	0.9
121.06530	1.6
121.10150	38.8
123.08091	3.7
123.11694	4.8
123.12499	0.9
125.09610	2.4
128.06227	1.7
129.07019	6.5
131.08575	24.5
133.10139	21.3
135.08023	2.0
135.11700	14.5
137.09621	3.7
139.11247	1.2
141.06931	1.8
142.07806	1.5
143.08557	8.9
145.10144	15.6
147.11700	10.1
149.09656	2.1
149.13275	4.6
151.11208	1.3
155.08626	4.4
157.10121	10.0
159.11710	8.4
161.09608	1.4
161.13261	4.8
163.14847	2.3
169.10077	4.8
171.11690	8.6
173.13243	8.1
175.14859	3.2
181.10071	1.4
183.11737	4.1
185.13304	2.1
187.14888	4.7
188.15250	0.8
189.16426	7.2
195.11694	1.1
197.13286	2.8
199.14824	8.7
201.16461	1.9
209.13211	1.1
211.14848	1.7
213.16483	2.3
215.17972	1.1
217.15872	7.6
235.16934	8.7
243.21025	1.4
261.22208	6.3
284.29526	1.7
285.29953	1.0
291.19495	4.1
311.29312	1.7
312.29745	2.1
317.24854	1.4
333.73288	1.0
335.25812	4.8
477.37451	5.0
495.38336	3.5
551.41193	4.4
568.56354	1.6
569.24060	6.1
569.42059	100.0
569.57013	8.1
570.42816	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	569.24
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
53.71902	1.0
55.05510	2.6
65.65402	1.4
67.05510	7.9
69.07077	2.4
70.26802	0.9
70.47737	1.9
79.05499	7.8
81.07062	5.9
83.08624	1.5
83.91493	1.0
91.05482	6.0
91.05981	0.9
93.07045	6.8
95.08607	5.4
105.07008	5.7
107.08617	3.2
109.10144	2.4
116.27779	1.0
117.07044	2.6
119.08607	3.2
120.08084	1.1
121.10150	3.9
131.08600	3.3
132.08073	1.4
133.10153	2.9
135.11723	2.0
143.08525	1.6
145.10126	2.6
147.11710	2.2
151.33794	1.0
157.10257	1.6
159.11757	1.1
162.09152	1.0
189.10223	3.5
221.10677	1.9
235.12485	1.7
247.13713	1.0
249.14145	1.3
251.15564	1.4
261.13895	1.4
263.11749	1.0
263.15414	1.3
274.13556	1.9
275.11328	1.2
276.15009	2.8
284.29706	1.4
299.14493	1.1
318.16037	3.2
323.14243	1.5
324.14996	1.3
326.16626	1.3
339.16211	1.9
351.15982	1.8
352.17245	2.4
353.17883	6.7
354.19507	4.6
365.17715	1.6
366.18732	1.2
367.19257	13.5
369.17218	1.3
379.19141	3.1
380.20200	1.2
381.17358	1.2
381.20975	10.3
382.21664	3.8
383.22363	3.2
392.16388	1.3
394.18256	1.9
407.18924	1.7
408.20023	1.9
409.20169	8.5
410.21585	2.8
411.21252	1.9
421.20132	2.9
422.21594	1.9
423.21881	3.1
424.97272	1.0
425.18884	2.4
425.24420	6.9
426.20898	3.0
435.21948	2.0
437.23764	24.4
438.21896	3.7
439.20441	3.4
439.25537	2.1
440.21552	1.3
441.19321	1.5
453.19095	19.0
453.24689	1.3
454.20972	4.2
455.24713	17.2
456.22818	2.1
468.21613	26.8
479.24506	6.0
481.22302	1.5
482.20792	9.7
483.23816	1.3
497.25247	2.5
499.23422	32.0
509.21918	8.7
523.23700	2.3
525.25067	3.9
526.22247	5.4
527.22937	100.0
528.23315	2.4
541.24500	45.0
551.23022	1.7
568.57050	1.3
569.23987	67.7
569.42603	8.7
570.24481	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34039	1.6
56.75928	1.7
64.99625	1.7
70.01260	6.3
70.01679	3.2
76.50394	1.8
89.91451	1.7
94.93011	15.9
96.92822	2.0
103.52502	1.8
112.89629	4.8
114.89308	3.5
115.48197	1.6
134.07849	2.0
136.94022	6.9
150.95537	12.9
156.04228	9.3
162.55899	2.2
166.95084	3.5
202.89128	5.7
208.96159	9.7
226.97212	100.0
230.88625	15.8
232.88496	4.8
233.03122	1.8
248.89757	2.5
268.35452	1.7
284.83517	4.0
344.85922	3.3
381.07932	12.0
419.03589	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	567.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57100	3.0
53.03931	4.8
55.05501	12.4
57.07063	6.8
65.03933	3.9
66.35325	2.4
67.05504	27.3
69.07067	18.2
70.06577	3.2
71.08625	3.6
71.51894	3.1
77.37791	2.5
79.05492	33.2
81.06591	3.6
81.07058	54.2
83.04990	5.2
83.08607	7.0
91.05478	45.4
93.07047	61.0
95.04956	9.7
95.08607	41.5
97.06500	3.2
99.58052	3.0
101.05926	2.7
103.05457	5.4
105.04530	5.4
105.07030	100.0
107.08592	59.6
109.06529	10.3
109.10168	42.1
115.05434	4.0
117.07007	23.4
119.08584	95.9
121.06527	3.9
121.10142	60.1
122.07298	3.2
123.08044	5.7
123.11707	14.3
125.09621	4.6
128.06241	6.0
129.07018	15.2
130.07785	6.5
131.08583	35.0
133.10136	66.8
135.08063	3.3
135.11693	37.4
137.09628	16.7
141.07059	6.6
142.07762	12.3
143.08545	28.4
144.09361	5.9
145.10127	63.3
147.08046	3.6
147.11673	33.6
149.13310	4.8
151.11159	4.1
155.08531	10.7
156.09349	12.7
157.10150	39.5
158.10843	5.3
159.08005	3.8
159.11699	29.9
161.09650	5.3
161.13263	14.7
165.07027	5.2
167.08557	7.9
168.09351	5.0
169.10143	24.4
170.10899	5.3
171.11684	23.3
173.13217	17.7
175.14793	19.5
179.08557	6.9
180.09338	6.5
181.10167	14.2
182.10887	7.9
183.11684	19.7
185.13272	19.5
187.14854	12.7
192.09442	3.6
193.10139	11.1
194.10883	7.1
195.11690	20.8
196.12512	5.9
197.13272	19.6
199.14850	11.0
201.16310	5.5
203.14293	9.6
207.11700	8.8
208.12555	3.4
209.13271	18.0
211.14729	20.2
213.16447	6.3
217.10170	4.7
219.11658	5.3
221.13261	9.0
223.14885	15.6
225.16335	6.4
227.17999	3.2
233.13344	5.4
233.15421	4.4
234.13924	5.2
235.14769	4.7
237.16452	9.5
239.14241	3.1
239.17973	5.1
246.14053	4.0
247.14806	5.7
249.16365	4.5
253.19450	4.4
261.16348	4.4
263.17960	5.1
265.19580	7.5
267.17413	3.4
275.17923	4.4
277.19531	6.9
289.08307	2.9
345.25760	9.5
346.26514	3.8
481.22119	4.7
549.40607	7.9
567.41803	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71832	1.0
53.03949	4.0
55.01880	1.3
55.05510	11.5
57.07076	10.7
65.03941	4.2
66.17983	1.0
67.05505	16.6
69.03419	2.1
69.07077	13.5
69.26463	11.3
70.06593	3.5
71.04999	1.8
71.08634	2.4
77.03914	2.6
79.05493	24.7
79.05920	2.3
80.06273	3.4
81.07056	35.2
82.07369	1.1
83.05004	3.3
83.08626	5.2
85.06545	2.8
85.10169	1.4
88.07638	3.6
91.05483	41.1
92.06278	1.5
93.07044	52.4
94.07345	1.6
94.07890	2.3
95.04973	39.2
95.08607	28.0
97.06528	3.8
97.10164	1.2
102.09171	2.2
103.05468	3.7
105.07031	81.3
106.07818	4.1
107.08595	45.4
109.06512	4.4
109.10158	20.9
111.08103	1.6
115.05463	5.4
116.06251	2.1
117.07021	28.1
118.07833	2.8
119.08585	100.0
120.09412	5.7
121.06516	3.5
121.10151	33.6
123.08072	17.0
123.11733	6.4
123.91920	1.5
125.09612	2.0
128.06198	10.8
129.07002	16.3
130.07826	7.2
131.08575	50.4
132.09360	11.0
133.10132	54.6
134.11043	5.5
135.08072	6.0
135.11691	19.4
137.09650	5.0
138.10420	8.4
139.11203	2.9
141.06990	7.5
142.07803	15.8
143.08571	44.4
144.09370	15.7
145.10127	78.9
146.10838	4.9
147.08049	3.1
147.11688	26.2
149.09627	5.0
149.13263	2.9
151.11206	4.1
153.06985	2.9
154.07784	3.1
155.08562	16.5
156.09351	16.3
157.10132	45.6
158.10922	9.3
159.07973	1.5
159.11699	35.9
160.12407	3.2
161.09573	6.3
161.13284	8.2
163.11172	2.5
165.07005	3.8
166.07790	2.6
167.08514	7.8
168.09346	5.8
169.10129	26.7
170.10907	8.8
171.11696	35.0
171.13158	2.3
172.12471	6.7
173.09683	1.4
173.13260	25.5
174.13799	2.1
175.11223	2.7
175.14824	21.0
177.12776	5.1
179.08582	9.7
180.09308	4.7
181.10097	13.9
182.10909	9.1
183.11707	25.8
184.12430	5.6
185.13271	25.8
186.14041	7.6
187.11143	1.3
187.14833	11.7
188.15495	1.6
189.12766	4.7
189.16434	1.6
191.14307	9.5
192.09387	2.9
192.15099	3.3
193.10149	9.7
194.10922	8.6
195.11687	14.6
196.12421	6.9
196.73569	1.5
197.13268	28.3
198.14064	5.2
199.11240	1.3
199.14856	12.6
201.12730	2.6
201.16365	9.1
203.14342	2.8
205.10117	1.4
205.15918	1.7
206.11003	3.0
207.11694	9.8
208.12476	5.9
209.13255	23.9
210.13914	2.9
211.14819	16.0
212.15591	2.0
213.16396	4.0
215.14369	1.3
217.15907	5.3
219.11667	2.5
219.17419	2.0
220.12444	3.4
221.13284	8.3
222.13890	2.4
223.14803	11.8
224.15517	4.0
225.16380	10.0
226.17166	2.3
227.14339	2.5
227.17877	2.6
229.15915	1.3
231.17451	1.9
233.13347	3.6
234.14021	1.8
235.14803	6.1
236.15486	2.3
237.16324	10.0
238.16960	1.5
239.17972	7.1
241.15842	1.3
241.19580	3.8
243.17409	2.0
244.18152	2.0
247.14861	2.8
249.16389	5.5
251.18025	3.8
253.19492	2.4
257.19077	2.9
259.20605	2.8
261.16394	3.9
263.18042	4.6
265.19510	4.7
267.17401	1.2
267.21063	2.3
271.20596	1.8
275.17920	3.9
277.19492	3.6
279.20920	2.4
282.19565	1.3
283.20615	3.3
283.26215	3.0
284.29459	7.5
285.22073	2.6
289.19473	1.8
291.20947	2.4
297.22305	2.3
305.22659	2.5
311.29431	7.5
312.32791	2.0
320.24918	2.3
323.23761	6.6
323.26953	1.3
329.22534	1.6
337.25269	3.7
338.26016	40.1
351.26840	3.3
362.26010	1.4
415.30023	2.3
420.30145	2.0
430.32266	13.3
458.35739	2.0
461.34784	1.6
476.36667	17.6
550.41248	1.3
568.42841	26.9
568.56427	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	567.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	8.0
55.03992	2.7
55.05498	12.8
57.07065	3.1
67.05164	4.2
67.05502	28.5
69.07072	21.2
71.04909	3.9
75.56296	3.2
79.05489	30.3
81.07057	39.5
83.04955	4.9
83.08600	6.1
88.23620	3.1
91.05482	43.9
93.07044	50.4
95.04955	8.1
95.08086	3.0
95.08620	49.0
97.06538	6.3
105.07038	84.3
107.04903	3.2
107.08599	54.2
109.06491	14.6
109.10168	37.7
115.05436	6.8
117.07017	19.1
119.08585	100.0
121.10152	58.3
123.08060	6.8
123.11676	13.2
128.06174	8.9
129.06979	16.3
130.07776	5.4
131.08572	44.4
133.10139	60.5
135.08093	4.1
135.11682	31.9
136.55659	3.4
137.09648	4.2
141.07005	7.2
142.07828	17.4
143.08565	32.5
144.09344	9.6
145.10130	65.8
147.08057	7.9
147.11690	29.7
149.13268	8.4
155.08542	19.2
156.09341	12.8
157.10127	45.3
158.10870	6.6
159.08025	3.8
159.11696	45.3
161.09592	4.8
161.13274	28.3
165.06938	5.0
165.09131	6.2
167.08572	8.5
167.10651	5.8
169.10123	25.2
170.10893	9.9
171.11696	31.3
173.13239	16.8
175.11157	5.4
175.14818	31.8
177.12726	4.7
177.99237	3.7
179.08498	11.2
180.09332	4.4
181.10097	15.7
182.10963	7.9
183.11703	23.3
185.13235	23.3
187.11200	3.2
187.14777	11.6
192.09319	6.3
193.10172	7.1
194.10907	6.3
195.11652	18.1
196.12395	7.2
197.13260	27.6
199.14824	12.7
201.12715	4.1
201.16364	9.1
203.14436	15.1
206.11072	3.6
207.11761	11.4
208.12387	6.2
209.13293	24.4
210.13768	4.0
211.11058	3.6
211.14854	15.3
213.16444	7.0
215.14394	6.2
219.11638	4.5
221.13179	10.7
221.15401	15.6
223.14894	20.2
225.16354	10.7
233.13251	5.0
235.14783	4.7
237.16350	3.6
239.17953	6.4
239.56250	4.0
246.14243	3.6
247.14870	5.2
249.16339	5.7
251.18011	7.1
253.19505	8.3
259.14896	4.4
260.15619	3.9
261.16241	7.0
263.17905	5.1
265.19427	4.6
267.21014	5.3
275.17850	6.5
277.19305	5.0
279.21106	4.3
281.22580	4.0
331.23911	4.0
345.25787	27.8
346.26489	14.9
347.27478	3.6
391.50742	3.3
401.28360	6.8
511.35568	7.7
511.55020	3.6
549.40955	8.5
567.41937	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65052	1.7
51.02359	2.1
53.03948	7.7
55.05516	13.7
57.07067	6.6
59.05002	2.4
65.03936	3.3
67.05512	27.1
69.07069	16.2
69.20107	6.1
69.20528	8.7
71.04989	1.4
75.04033	1.4
79.05496	26.5
81.07063	39.3
83.08607	7.7
85.06548	3.6
91.05486	40.5
93.07054	41.9
94.77780	1.8
95.04968	8.7
95.08613	42.2
97.06503	2.3
103.05486	5.0
105.07039	86.0
107.08597	49.9
109.06516	13.7
109.10168	34.6
113.27957	1.6
115.05470	4.6
117.07024	24.8
119.08585	100.0
121.10148	54.5
121.11041	2.3
123.08057	9.1
123.11725	10.5
123.88472	1.6
128.06239	5.4
129.07016	18.9
130.07784	7.0
131.08580	36.3
133.10135	53.1
135.08104	4.3
135.11694	34.3
137.09619	6.2
137.13249	1.7
141.07013	7.1
142.07793	18.2
143.08574	34.7
144.09372	10.9
145.10133	63.3
146.10872	2.2
147.08047	5.5
147.11699	19.3
149.09662	2.6
149.13290	3.6
151.11221	2.5
153.06960	2.2
155.08572	15.8
156.09364	12.2
157.10138	38.4
158.10907	5.2
159.08069	2.0
159.11705	42.7
160.12387	1.9
161.09639	2.8
161.13261	26.4
165.07036	7.0
165.09067	7.4
166.07750	2.4
167.08553	8.2
167.10661	4.2
168.09343	4.8
169.10127	25.0
170.10956	9.0
171.11697	23.5
172.12483	3.8
173.09657	3.2
173.13248	21.3
175.11223	3.1
175.14844	20.5
177.12766	2.4
179.08609	8.6
179.14377	2.1
180.09367	5.6
181.10136	11.0
182.10913	8.6
183.11700	20.5
184.12534	2.1
185.13300	22.4
187.11256	1.9
187.14819	13.6
189.12738	1.6
189.16402	4.1
192.09283	2.9
193.10132	11.4
194.10909	4.2
195.11723	23.7
196.12466	8.4
197.13266	27.0
198.14095	2.2
199.14833	6.5
201.16451	6.1
203.14297	14.8
204.09387	2.2
206.10971	5.3
207.11731	9.7
208.12447	6.4
209.13254	20.1
210.14011	3.7
211.14862	17.5
212.15594	1.6
213.16446	7.5
215.14268	3.8
215.17944	1.6
219.11768	4.1
220.12456	3.2
221.13257	11.5
221.15414	10.1
222.13986	3.4
223.14851	18.4
224.15445	3.1
225.16415	11.0
227.14313	2.3
227.17908	2.9
233.13258	5.5
233.15363	3.2
235.14822	7.4
237.16415	5.3
238.17302	1.9
239.17915	7.1
241.15787	2.1
245.13287	3.0
246.14098	1.7
247.14873	5.2
249.16336	3.8
251.18021	4.3
253.15855	1.6
253.19499	4.6
261.16354	2.5
263.17883	3.2
265.19647	4.4
267.21152	2.6
269.19174	2.4
275.17880	3.8
277.19525	4.8
279.21097	3.3
281.19122	1.7
283.20544	1.8
285.16470	1.9
289.19467	6.0
291.20947	4.0
295.20578	2.0
303.20895	3.1
315.21146	2.1
331.24188	3.7
333.25879	2.0
341.22397	1.9
343.24319	2.5
345.25775	21.5
346.26505	16.2
347.27283	2.4
389.28256	1.6
393.20847	1.9
401.28241	5.6
407.22327	2.1
427.30151	2.8
437.19858	1.9
507.24179	1.9
511.35471	3.2
524.40430	2.8
539.26355	3.6
549.40692	6.3
567.26294	17.9
567.41931	39.3
568.26752	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	567.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.6
55.01862	2.4
55.05517	13.9
55.92576	2.0
56.47771	1.8
57.03400	1.8
57.07078	3.8
57.31354	1.8
62.54056	2.2
65.03935	4.3
65.94618	2.0
67.05508	25.6
69.03430	3.2
69.07082	14.1
69.47938	6.3
69.48370	8.4
71.08614	2.0
77.03955	2.1
79.05499	30.4
81.03405	2.0
81.07063	44.1
83.04978	3.7
83.08603	9.4
84.08351	2.0
85.06577	2.0
91.05487	42.6
93.07055	58.9
95.04978	8.0
95.08612	32.9
95.14250	2.3
97.06543	5.7
97.10191	4.0
98.20803	4.2
103.05473	5.6
105.04516	2.8
105.07043	100.0
107.08611	42.8
109.06516	6.7
109.10168	41.0
111.08076	5.4
115.05445	4.3
116.06232	2.0
117.07014	14.0
119.08594	89.5
121.06519	2.7
121.10154	53.0
122.07292	3.5
123.08067	9.5
123.11700	12.1
125.09632	4.8
128.06236	7.3
129.07016	14.7
130.07784	6.0
131.08572	33.2
133.10147	51.0
135.08073	6.7
135.11719	25.2
137.09647	18.7
139.11223	2.6
141.06984	5.8
142.07819	14.0
143.08565	26.9
144.09340	6.2
145.10135	55.1
147.08031	7.7
147.11700	38.0
149.09598	4.0
149.13274	6.1
151.07597	3.3
151.11176	5.1
153.07034	3.0
155.08585	12.4
156.09343	7.6
157.10164	34.6
159.08086	2.8
159.11714	25.5
159.27966	2.0
161.09601	4.2
161.13272	9.7
163.11186	6.7
165.06924	3.5
165.09114	12.3
167.08601	4.5
168.09309	4.9
169.10129	18.3
170.10912	5.2
171.11687	23.1
173.09659	4.6
173.13275	19.0
175.11259	2.0
175.14868	15.4
179.08539	6.0
180.09383	2.6
181.10123	8.2
182.10890	6.8
183.11693	14.4
185.13252	13.6
187.14856	12.9
189.12756	3.4
189.16367	4.7
193.10130	6.0
194.10907	5.5
195.11751	14.4
196.12526	3.7
197.13333	19.3
199.14845	9.0
201.16434	4.9
203.14351	6.8
206.10925	5.1
207.11732	7.3
208.12509	2.7
209.13297	13.1
210.13847	2.0
211.14890	15.0
213.12831	3.0
213.16304	4.0
217.15918	2.1
219.11690	2.3
221.13304	7.0
221.15378	26.7
222.13986	2.6
223.14848	7.2
225.16310	5.8
227.18040	2.3
229.15892	2.4
235.14702	4.8
237.16386	6.5
239.18004	3.6
245.13359	3.0
247.14751	2.3
249.16254	3.6
253.19409	3.6
259.14908	2.4
261.16489	2.8
265.19611	6.0
267.21146	2.0
275.17911	3.8
277.19379	2.6
279.21069	2.9
289.19501	3.3
303.21198	2.9
328.15646	2.1
353.24353	3.1
359.27316	2.4
361.25803	2.5
411.30136	2.7
428.25467	2.1
475.35349	4.6
535.51782	2.4
549.40643	2.8
567.41980	39.2
568.41913	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.8
53.03941	7.6
55.05514	14.7
57.03447	2.4
57.07067	8.0
65.03943	5.4
67.05186	2.1
67.05511	30.9
69.03391	1.8
69.07075	19.1
69.26966	3.9
69.27374	13.4
71.04993	3.8
76.16245	1.6
79.05502	26.3
81.06595	2.5
81.07063	44.8
81.39341	1.5
82.07350	2.0
83.04974	2.1
83.08620	9.7
85.06532	4.2
91.05489	44.9
92.05815	1.8
93.06483	3.6
93.07050	58.8
95.04965	6.6
95.08616	41.6
97.06553	2.6
97.10130	2.4
98.85326	1.6
103.05457	5.8
105.04552	2.4
105.07038	88.8
107.08605	56.1
109.06524	15.3
109.10160	36.4
111.08084	4.0
115.05444	6.4
117.07021	24.7
119.08591	100.0
120.08867	1.7
121.10159	63.9
123.08058	7.4
123.11706	16.1
128.06166	10.3
129.07047	17.5
130.07834	8.8
131.08583	40.8
133.10143	55.0
135.08063	5.7
135.11699	33.9
137.09587	5.7
141.07001	7.6
142.07800	15.6
143.08569	31.7
144.09344	11.6
145.10136	64.9
146.10806	1.6
147.08044	2.8
147.11705	23.7
149.09619	4.8
149.13268	5.6
153.06995	3.2
154.07805	2.7
155.08568	19.8
156.09381	14.1
157.10150	50.0
158.10873	5.1
159.08134	2.4
159.11705	45.0
159.13029	2.2
160.12395	2.1
161.09601	4.7
161.13258	21.4
163.11237	3.8
165.06985	5.1
165.09105	6.3
166.07773	2.6
167.08549	10.4
167.10687	2.0
168.09346	3.6
169.10150	29.3
170.10930	12.1
171.11716	29.9
173.09616	3.8
173.13286	18.4
175.11157	2.9
175.14859	24.0
179.08516	10.0
180.09366	5.1
181.10114	19.4
182.10912	10.3
183.11705	26.4
184.12491	2.3
185.13283	22.9
185.83745	1.9
187.11145	2.2
187.14841	18.2
189.12740	2.7
189.16322	4.2
192.09309	2.5
193.10138	12.2
194.10918	11.0
195.11740	18.9
196.12465	6.8
197.13281	26.3
199.11090	2.1
199.14809	8.4
201.12828	2.8
201.16417	5.7
203.14352	10.0
205.10135	3.5
206.10921	5.0
207.11658	10.8
208.12500	6.9
209.13289	19.9
210.14011	3.4
211.14842	13.8
213.16394	6.5
215.14401	4.5
217.15808	2.0
218.10799	2.1
219.11713	5.2
220.12456	2.2
221.13252	10.1
221.15349	6.8
222.13930	4.2
223.14845	21.9
224.15671	3.8
225.12854	2.0
225.16373	9.6
227.14409	2.1
227.17896	3.8
231.11620	3.0
232.12434	3.1
233.13231	6.5
233.15376	3.8
235.14799	6.0
237.16365	6.9
239.17995	5.1
241.15817	1.8
241.19579	3.4
243.11708	2.3
245.13205	4.3
246.14018	3.0
247.14903	6.7
248.15488	2.2
249.16400	5.4
251.17987	5.5
253.19604	9.3
259.14838	2.8
261.16263	3.6
263.17953	5.4
265.19485	5.0
267.17581	1.9
267.21030	2.6
273.16302	3.4
275.17966	4.7
277.19504	5.0
279.17499	2.3
279.21051	5.7
281.22607	3.4
283.20450	3.0
287.17834	2.5
289.19476	4.9
290.20215	2.2
303.21140	2.3
331.24109	3.2
333.25729	3.4
335.23703	2.0
343.24341	2.4
345.25800	17.3
346.26547	10.6
349.25241	2.2
361.25256	3.3
363.26965	3.7
401.28448	5.9
415.29599	1.9
524.39880	2.8
549.40826	9.9
564.10699	2.0
567.25085	2.1
567.42059	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	567.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09812	1.6
53.03944	7.7
55.01867	5.9
55.05508	7.4
57.03428	2.8
61.02926	2.2
67.05505	16.9
68.99776	2.1
69.03433	16.7
69.07063	6.9
70.22279	4.8
71.05004	2.8
73.02929	3.8
79.05511	13.4
81.03433	18.0
81.07059	37.0
83.04998	2.7
83.08622	3.2
85.02913	33.0
87.00838	15.0
91.05490	11.1
93.07055	30.2
95.08614	43.5
97.02921	15.9
99.04460	6.3
105.01877	12.1
105.07031	27.7
107.08609	24.5
109.02893	27.8
109.10162	47.5
111.11729	2.5
117.06994	3.2
119.08579	21.9
121.10147	31.4
123.11739	12.2
125.09631	5.2
127.03911	30.3
131.08592	11.2
133.10149	34.0
135.11714	19.9
137.09605	2.1
139.11183	9.0
143.08572	5.8
145.04968	6.8
145.10156	13.2
147.11691	40.9
149.13301	18.1
151.11201	6.7
157.10129	6.8
159.02895	10.0
159.11707	18.9
161.13254	19.0
163.11247	2.9
163.14810	5.1
165.12756	4.0
171.11713	6.9
173.13249	12.7
175.14882	3.3
177.12685	2.0
179.10675	11.6
185.13274	7.6
187.14833	3.0
191.14233	2.6
193.12241	9.3
195.13718	2.9
199.14815	20.3
205.12209	3.9
207.13747	4.6
213.03925	2.0
213.16411	6.5
215.17880	2.3
219.13936	1.8
227.18027	4.3
229.19424	2.7
231.04968	5.3
243.21048	5.8
245.22702	5.3
255.21100	65.2
256.21347	2.6
261.18622	3.8
265.19601	3.2
271.20578	3.8
273.22144	100.0
274.22409	3.8
279.75403	2.1
283.20569	19.9
289.21561	5.1
293.45505	1.9
301.21646	70.3
319.22684	61.9
320.23248	2.0
335.81000	2.3
567.26416	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	567.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58869	2.4
53.03951	2.7
55.05513	8.2
56.95531	3.3
63.83676	2.8
67.05506	12.0
69.03430	6.3
69.07079	5.3
69.77786	14.6
79.05512	18.2
81.03417	3.2
81.07063	100.0
83.05008	2.9
83.08620	3.2
85.02903	12.8
87.00852	4.5
91.05488	14.6
93.07047	17.9
95.04983	8.8
95.08620	22.7
97.02901	3.7
97.06577	3.2
97.10179	3.4
101.06152	2.6
105.07039	68.0
105.07696	5.3
105.29214	2.8
107.08603	19.2
109.10159	11.6
111.04451	2.8
111.67773	2.5
117.07010	4.4
119.08591	33.9
121.06498	4.8
121.10149	19.2
123.04413	3.0
123.08051	3.0
123.11672	3.0
128.06242	3.4
129.07030	5.9
131.08578	16.8
133.10150	19.3
135.08081	3.3
135.11713	5.6
137.09605	2.9
143.08571	11.8
145.10150	24.8
147.11729	17.6
149.05989	4.3
149.13263	4.9
151.07538	6.4
155.08548	8.8
157.10139	14.1
159.11694	32.0
161.13243	30.5
163.14868	5.8
167.08606	4.0
169.10127	10.6
171.08139	2.8
171.11665	19.1
173.13239	19.0
175.14854	16.0
179.08485	3.3
183.11731	5.4
185.13327	8.0
193.12265	5.7
195.11732	7.1
197.13188	12.8
199.14803	22.2
203.14462	3.1
205.12225	3.8
207.11897	4.9
207.13811	17.5
209.13295	10.8
211.14883	6.2
213.16428	8.5
215.17984	13.8
217.12131	4.4
219.13780	3.4
221.13312	5.7
221.15399	16.3
223.14819	6.4
225.16428	6.0
227.18002	11.7
237.16396	6.4
237.68484	3.0
239.17743	3.2
251.17960	4.3
253.19545	4.6
255.21086	53.8
267.21243	4.4
277.19479	6.8
279.21103	3.5
283.20602	10.1
295.20706	5.5
299.20096	12.2
301.21625	98.2
321.22086	4.0
327.21228	4.5
341.21072	4.1
345.22113	11.8
359.22330	3.9
363.23233	11.7
381.24432	6.7
391.22684	9.8
409.23837	20.5
427.24817	56.8
445.25906	4.0
449.23007	5.1
467.24329	7.5
485.25409	11.5
487.26990	44.9
488.26978	4.3
495.23947	6.0
503.26151	4.8
513.24554	16.4
531.26038	18.6
567.31989	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	567.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57100	3.0
53.03931	4.8
55.05501	12.4
57.07063	6.8
65.03933	3.9
66.35325	2.4
67.05504	27.3
69.07067	18.2
70.06577	3.2
71.08625	3.6
71.51894	3.1
77.37791	2.5
79.05492	33.2
81.06591	3.6
81.07058	54.2
83.04990	5.2
83.08607	7.0
91.05478	45.4
93.07047	61.0
95.04956	9.7
95.08607	41.5
97.06500	3.2
99.58052	3.0
101.05926	2.7
103.05457	5.4
105.04530	5.4
105.07030	100.0
107.08592	59.6
109.06529	10.3
109.10168	42.1
115.05434	4.0
117.07007	23.4
119.08584	95.9
121.06527	3.9
121.10142	60.1
122.07298	3.2
123.08044	5.7
123.11707	14.3
125.09621	4.6
128.06241	6.0
129.07018	15.2
130.07785	6.5
131.08583	35.0
133.10136	66.8
135.08063	3.3
135.11693	37.4
137.09628	16.7
141.07059	6.6
142.07762	12.3
143.08545	28.4
144.09361	5.9
145.10127	63.3
147.08046	3.6
147.11673	33.6
149.13310	4.8
151.11159	4.1
155.08531	10.7
156.09349	12.7
157.10150	39.5
158.10843	5.3
159.08005	3.8
159.11699	29.9
161.09650	5.3
161.13263	14.7
165.07027	5.2
167.08557	7.9
168.09351	5.0
169.10143	24.4
170.10899	5.3
171.11684	23.3
173.13217	17.7
175.14793	19.5
179.08557	6.9
180.09338	6.5
181.10167	14.2
182.10887	7.9
183.11684	19.7
185.13272	19.5
187.14854	12.7
192.09442	3.6
193.10139	11.1
194.10883	7.1
195.11690	20.8
196.12512	5.9
197.13272	19.6
199.14850	11.0
201.16310	5.5
203.14293	9.6
207.11700	8.8
208.12555	3.4
209.13271	18.0
211.14729	20.2
213.16447	6.3
217.10170	4.7
219.11658	5.3
221.13261	9.0
223.14885	15.6
225.16335	6.4
227.17999	3.2
233.13344	5.4
233.15421	4.4
234.13924	5.2
235.14769	4.7
237.16452	9.5
239.14241	3.1
239.17973	5.1
246.14053	4.0
247.14806	5.7
249.16365	4.5
253.19450	4.4
261.16348	4.4
263.17960	5.1
265.19580	7.5
267.17413	3.4
275.17923	4.4
277.19531	6.9
289.08307	2.9
345.25760	9.5
346.26514	3.8
481.22119	4.7
549.40607	7.9
567.41803	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.4
53.03955	5.3
55.05515	11.8
57.07075	7.0
58.14240	2.2
65.03951	4.1
67.05513	33.1
69.07075	16.4
69.17199	5.9
69.17609	19.1
71.08655	2.9
79.05486	25.2
81.07072	40.2
83.05027	3.0
83.08620	11.6
85.06545	3.2
91.05483	33.3
93.07051	50.0
95.04973	7.3
95.08611	44.3
97.06574	3.0
97.10142	2.4
98.20793	4.7
105.07038	69.2
107.04897	2.4
107.08598	52.5
109.06557	8.8
109.10168	54.2
115.05486	5.6
117.07018	19.9
119.08590	100.0
121.06512	2.8
121.10152	62.0
123.08051	5.0
123.11697	17.4
128.06265	9.8
129.07008	17.8
130.07759	7.2
131.08591	34.9
133.09131	3.5
133.10135	53.8
135.08051	6.7
135.11708	35.0
137.09650	3.7
141.07027	10.1
142.07802	23.5
143.08588	34.8
144.09344	7.0
145.10138	58.0
147.11691	18.6
149.09639	5.6
149.13246	4.8
152.06169	2.6
153.07050	3.6
154.07864	3.3
155.08572	20.0
156.09378	14.9
157.10132	62.9
158.10910	4.7
159.08099	5.9
159.11696	27.1
161.09663	4.8
161.13219	13.3
165.06975	4.7
166.07719	3.0
167.08589	11.5
167.10681	11.4
168.09398	6.5
169.10155	28.7
170.10939	5.3
171.11694	28.1
172.12532	4.3
173.09639	7.8
173.13226	18.2
175.11217	5.1
175.14850	38.5
177.12720	3.7
178.30280	2.6
179.08539	11.1
180.09303	5.5
181.10193	14.6
182.10907	11.5
183.11719	29.1
185.09607	4.5
185.13220	16.0
187.11191	3.9
187.14838	15.1
189.12790	8.0
192.09352	4.4
193.10156	12.9
194.10936	7.3
195.11694	21.6
196.12523	5.6
197.09547	3.5
197.13271	31.4
198.14041	2.6
199.11205	11.2
199.14844	8.8
201.12758	3.1
201.16396	7.0
203.14626	2.2
206.10797	5.4
207.11760	16.0
208.12462	6.2
209.13211	18.5
210.14064	3.3
211.11249	5.5
211.14839	11.1
213.12756	3.8
213.16434	8.7
215.14302	4.5
217.10143	4.1
218.10742	3.1
219.11723	4.1
220.12578	3.0
221.13264	11.8
222.13994	2.6
223.11319	4.1
223.14833	22.3
225.12840	5.0
225.16504	3.4
227.17862	3.5
231.11720	4.5
232.12410	3.0
233.13264	9.5
233.15288	4.5
234.14009	3.0
235.14839	8.0
237.12755	3.0
237.16409	7.5
239.14240	4.2
239.17961	4.6
241.15967	6.2
247.14865	7.8
249.16492	7.1
251.14285	3.0
253.19589	5.3
259.14847	5.4
260.15579	2.8
261.16461	6.5
263.17947	3.6
273.16272	3.1
273.18597	34.8
275.14249	2.3
277.15836	2.9
279.21106	10.1
282.27927	3.7
291.21008	5.0
299.20132	57.8
301.19702	2.4
310.31006	2.8
313.21701	3.3
315.20944	3.0
316.21906	2.7
319.24228	3.2
321.22375	2.8
325.21716	4.2
333.22366	3.4
345.25949	3.1
351.23141	4.5
363.23169	2.9
369.21924	2.7
375.23343	2.7
377.24878	3.2
429.28757	3.1
429.34973	2.9
443.29303	2.8
473.33984	8.5
547.39172	5.7
565.40460	58.2
565.54962	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	567.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58869	2.4
53.03951	2.7
55.05513	8.2
56.95531	3.3
63.83676	2.8
67.05506	12.0
69.03430	6.3
69.07079	5.3
69.77786	14.6
79.05512	18.2
81.03417	3.2
81.07063	100.0
83.05008	2.9
83.08620	3.2
85.02903	12.8
87.00852	4.5
91.05488	14.6
93.07047	17.9
95.04983	8.8
95.08620	22.7
97.02901	3.7
97.06577	3.2
97.10179	3.4
101.06152	2.6
105.07039	68.0
105.07696	5.3
105.29214	2.8
107.08603	19.2
109.10159	11.6
111.04451	2.8
111.67773	2.5
117.07010	4.4
119.08591	33.9
121.06498	4.8
121.10149	19.2
123.04413	3.0
123.08051	3.0
123.11672	3.0
128.06242	3.4
129.07030	5.9
131.08578	16.8
133.10150	19.3
135.08081	3.3
135.11713	5.6
137.09605	2.9
143.08571	11.8
145.10150	24.8
147.11729	17.6
149.05989	4.3
149.13263	4.9
151.07538	6.4
155.08548	8.8
157.10139	14.1
159.11694	32.0
161.13243	30.5
163.14868	5.8
167.08606	4.0
169.10127	10.6
171.08139	2.8
171.11665	19.1
173.13239	19.0
175.14854	16.0
179.08485	3.3
183.11731	5.4
185.13327	8.0
193.12265	5.7
195.11732	7.1
197.13188	12.8
199.14803	22.2
203.14462	3.1
205.12225	3.8
207.11897	4.9
207.13811	17.5
209.13295	10.8
211.14883	6.2
213.16428	8.5
215.17984	13.8
217.12131	4.4
219.13780	3.4
221.13312	5.7
221.15399	16.3
223.14819	6.4
225.16428	6.0
227.18002	11.7
237.16396	6.4
237.68484	3.0
239.17743	3.2
251.17960	4.3
253.19545	4.6
255.21086	53.8
267.21243	4.4
277.19479	6.8
279.21103	3.5
283.20602	10.1
295.20706	5.5
299.20096	12.2
301.21625	98.2
321.22086	4.0
327.21228	4.5
341.21072	4.1
345.22113	11.8
359.22330	3.9
363.23233	11.7
381.24432	6.7
391.22684	9.8
409.23837	20.5
427.24817	56.8
445.25906	4.0
449.23007	5.1
467.24329	7.5
485.25409	11.5
487.26990	44.9
488.26978	4.3
495.23947	6.0
503.26151	4.8
513.24554	16.4
531.26038	18.6
567.31989	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	565.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.7
55.01846	2.4
55.05517	16.1
57.07074	8.0
67.05505	25.7
69.03455	2.2
69.07071	18.5
70.68183	7.4
71.08636	3.1
74.06687	2.4
79.05500	18.4
81.07058	46.1
83.08629	9.6
90.51753	2.4
91.05486	49.9
92.98642	2.3
93.07048	51.6
95.04979	7.9
95.08051	4.3
95.08614	40.2
97.10168	3.3
103.05504	3.4
105.07038	86.6
107.08598	56.6
109.06529	6.9
109.10167	46.3
115.05463	4.1
115.08894	2.2
117.07027	20.7
119.08583	100.0
121.06488	4.4
121.10151	75.1
121.81521	2.4
123.08101	3.0
123.11711	18.1
128.06216	13.6
129.07007	14.4
130.07796	8.9
131.08591	43.9
133.06520	6.4
133.10144	56.4
135.08076	6.5
135.11693	31.1
141.07034	7.5
142.07787	21.1
143.08571	36.7
144.09341	7.9
145.10132	81.8
147.08138	4.4
147.11700	23.5
149.09618	10.4
149.13257	4.1
153.07021	4.1
154.07770	5.7
155.08565	17.9
156.09375	17.0
157.08830	3.1
157.10129	48.9
158.10889	4.1
159.08060	13.2
159.11700	32.0
161.09674	4.6
161.13246	14.0
165.07042	5.9
167.08607	11.9
167.10696	25.8
168.09355	5.9
169.10133	32.4
170.10876	5.5
171.08156	3.3
171.11696	30.8
172.12456	4.9
173.09680	8.6
173.13264	21.7
175.14850	30.9
178.07834	2.7
179.07277	2.5
179.08484	12.5
180.09328	6.0
181.10130	18.0
182.10936	18.2
183.11717	24.7
185.09715	6.5
185.13312	17.8
185.14801	2.7
187.11238	5.5
187.13414	2.3
187.14836	13.9
189.12813	8.4
189.16438	7.0
193.10202	13.6
194.10843	11.5
195.11678	25.1
196.12573	5.8
197.13271	34.0
199.11227	6.6
199.14856	8.9
201.16463	7.4
203.14246	2.7
204.09198	2.7
206.10934	7.1
207.11745	15.5
208.12552	7.9
209.13254	23.5
210.13869	2.4
211.11337	4.0
211.14851	13.2
213.12799	2.5
213.16391	10.4
215.14380	11.5
218.10995	3.0
219.11700	4.7
220.12450	3.6
221.13301	11.8
222.14073	4.4
223.11253	4.8
223.14836	23.4
224.15204	2.5
225.12900	4.8
225.16489	4.3
227.14355	2.4
227.18008	2.6
231.11641	4.0
233.13242	6.0
233.15355	65.3
233.17516	4.8
235.11151	2.4
235.14874	4.0
237.16521	6.6
239.18008	6.8
245.13295	5.4
246.14102	2.3
247.14835	6.9
249.16374	3.8
251.18008	5.6
253.19781	3.8
255.17424	2.9
259.14865	6.6
261.16418	6.2
265.19424	5.3
267.21179	5.3
273.18658	14.3
275.17929	6.2
277.16174	3.1
279.21030	3.5
281.19046	4.3
282.28009	3.2
289.19382	3.8
291.17499	2.8
298.62970	2.8
299.20123	28.1
303.17728	3.1
310.31042	3.8
311.20123	9.2
331.24139	4.2
339.23215	3.1
345.25766	24.2
359.23459	2.5
363.23245	6.7
364.41678	2.6
365.24857	2.9
389.24927	4.1
405.27982	4.6
431.29770	3.4
443.29340	24.1
473.34012	8.6
477.65479	2.6
485.34155	3.3
509.34067	5.1
565.40448	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4045
Annotation	28380-31-6
Peak:m/z	Relative Intensity
52.55944	1.7
53.03939	2.7
55.05521	8.6
57.07077	4.6
65.03939	3.0
67.05510	14.5
69.03425	3.4
69.07075	10.7
69.40761	3.0
69.41157	10.5
79.05494	16.4
81.07072	22.7
83.04969	3.8
83.08618	4.8
86.56590	1.5
91.05492	27.0
93.07047	30.6
95.04980	5.8
95.08604	19.4
97.06529	5.4
98.21543	2.9
103.05489	2.3
103.58385	1.8
105.07038	47.6
107.08595	26.3
109.06512	4.2
109.10159	12.0
115.05459	3.3
117.06983	8.2
119.08588	47.2
121.10149	39.1
123.08057	10.8
123.11734	5.0
128.06265	5.7
129.06998	11.6
130.07794	4.1
131.08569	24.2
133.10143	31.4
135.08087	3.6
135.11707	12.9
137.09612	4.2
140.54346	1.8
141.07033	4.9
142.07813	14.3
143.08562	22.6
144.09369	4.7
145.10123	31.6
147.08102	6.9
147.11703	10.9
149.09648	5.2
149.13396	1.7
151.07590	3.6
153.07004	2.1
155.08583	10.5
156.09349	10.2
157.10143	32.8
158.10966	4.3
159.08147	3.1
159.11687	17.4
161.13258	3.4
163.11273	4.7
165.07082	5.9
165.09193	7.3
166.07912	2.7
167.08624	5.3
167.10690	11.7
168.09384	4.1
169.03113	1.7
169.10126	16.0
170.10913	4.4
171.11742	20.7
173.09612	2.0
173.13246	17.4
175.14809	3.2
176.09111	2.0
179.08545	9.6
180.09419	3.9
181.10136	10.9
181.12276	3.5
182.10976	5.8
183.11708	13.9
184.12497	2.3
185.13287	13.8
187.11218	1.9
187.14873	5.7
189.12810	2.6
191.14368	2.5
192.09383	5.1
193.10138	11.7
194.10951	7.3
195.11775	16.4
196.12500	5.1
197.13237	10.0
199.14786	9.2
201.12822	2.2
201.16481	5.3
203.14400	5.5
205.10191	3.4
206.10948	4.8
207.11705	12.4
207.13487	2.5
208.12491	5.8
209.13260	20.6
210.13960	3.3
211.11346	1.9
211.14812	8.7
213.16463	5.6
215.14346	3.5
217.10115	3.3
217.15887	3.6
219.11737	4.2
220.12515	4.9
221.13297	10.8
221.15440	19.6
222.14125	4.9
223.14771	8.5
225.16409	6.9
227.17882	2.4
229.10345	2.5
230.10960	2.3
231.11749	7.0
231.17401	2.1
232.12497	3.1
233.13280	7.1
233.15302	3.6
234.14066	2.6
235.14929	9.6
237.16389	5.6
239.17960	5.2
241.15808	2.8
243.11742	2.6
245.13278	4.6
246.14215	4.9
247.14925	6.5
248.15720	2.7
249.16319	2.9
251.14249	2.1
251.18050	6.9
253.19675	5.0
255.17393	2.3
257.19031	2.3
259.14828	5.4
260.15744	2.2
261.16440	6.7
263.17944	6.2
265.19629	7.2
269.13190	1.8
271.14914	3.0
272.15970	2.5
273.16434	5.1
275.17947	4.3
277.19510	3.8
279.21143	3.4
283.20587	2.6
284.15591	1.8
285.16315	2.6
287.17862	3.8
289.19708	3.0
291.21118	3.4
295.20703	3.8
299.18069	2.3
300.18750	2.3
301.19495	2.4
315.21133	2.5
317.22559	2.2
327.21228	1.8
331.24240	2.6
333.22141	2.1
339.21390	1.8
342.23495	2.1
343.24561	2.5
345.25781	1.7
347.23724	3.5
357.25854	2.4
365.25027	6.1
409.29193	2.1
473.34253	5.1
485.34851	2.1
509.33920	3.3
529.38489	1.9
547.39508	17.8
565.40460	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20280	3.7
53.03930	7.4
55.05502	15.3
57.07071	10.8
58.97313	3.5
66.55883	3.5
67.05511	37.8
69.03426	5.7
69.07069	19.0
69.18372	25.7
69.18800	15.2
79.05487	26.1
81.07059	44.4
83.04954	4.5
83.08625	9.6
83.84772	3.9
91.05488	50.9
93.07047	52.7
95.04948	7.1
95.08615	34.8
97.06535	4.6
97.10184	3.8
99.08033	4.1
103.05451	6.7
105.07032	87.6
107.08593	50.4
109.06515	8.7
109.10162	40.2
115.05458	5.2
117.07007	17.1
119.08590	100.0
121.10143	65.8
123.11704	16.2
128.06207	8.0
129.07004	12.7
130.07721	4.8
131.08565	35.4
133.06491	5.0
133.10139	48.6
135.07988	3.7
135.11702	31.9
141.07011	6.0
142.07762	17.2
143.08568	35.3
144.09348	4.2
145.10130	89.4
147.11723	21.9
149.09650	8.8
149.13216	5.7
153.07059	7.3
155.08546	14.4
156.09343	10.9
157.10141	55.4
158.10902	4.7
159.08069	15.1
159.11737	21.9
161.13258	9.5
165.07018	6.0
167.08589	12.6
167.10709	24.0
168.09404	8.2
169.10143	32.5
170.10921	3.7
171.11705	26.0
173.09607	7.4
173.13280	26.0
175.14841	26.4
179.08598	10.9
180.09357	7.8
181.10109	15.1
182.11014	19.9
183.11682	18.8
184.12430	4.3
185.13254	12.8
187.14827	13.2
189.12703	7.4
192.09288	4.8
193.10155	9.9
194.10933	8.1
195.11673	17.3
197.13280	27.5
199.11044	4.9
199.14877	5.9
201.16405	8.5
205.36037	3.7
207.11671	12.4
208.12527	8.1
209.13310	28.3
211.14848	9.9
213.16385	7.4
215.14296	11.3
219.11652	7.3
220.12502	4.8
221.13237	11.9
221.15324	5.0
223.14803	24.1
224.15724	5.1
225.16479	7.5
233.13260	6.6
233.15350	55.3
235.14816	9.3
237.16345	6.8
239.17674	4.8
245.13124	5.7
247.14795	5.2
249.16422	5.6
261.16382	7.1
261.66324	4.2
267.21048	10.0
273.18515	10.7
275.17880	5.8
275.41052	4.1
281.29395	7.1
282.27933	12.1
283.15134	4.4
289.19580	6.4
299.20270	22.0
310.31061	12.4
311.19971	8.9
326.08078	4.4
345.25879	19.7
443.29486	18.9
473.33582	6.0
509.34491	5.4
547.39130	6.4
565.40527	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.0
55.05503	15.5
57.07074	16.0
62.60558	4.0
65.03956	4.0
67.05514	48.4
67.26669	3.7
69.03392	4.1
69.07076	32.6
71.08612	5.8
71.24196	6.2
75.19547	4.1
77.00449	3.7
79.05503	30.5
81.07057	49.5
83.08600	11.7
85.06558	5.7
91.05479	45.1
93.07047	62.1
95.04947	8.7
95.08614	42.5
97.06536	5.7
104.06290	3.9
105.04492	4.8
105.07041	89.9
107.08604	61.5
109.06498	5.9
109.10165	51.4
115.05460	8.7
117.07065	21.4
119.08584	100.0
121.06515	4.5
121.10154	82.0
123.08031	6.3
123.11721	14.5
128.06276	12.3
129.07016	12.7
130.07784	7.7
131.08586	40.7
133.06584	8.5
133.10127	41.3
135.08026	4.9
135.11723	45.3
141.06998	4.7
142.07782	14.5
143.08588	35.3
145.10136	86.9
147.11720	26.4
149.09613	8.2
149.13316	6.5
153.06885	4.4
154.07793	5.1
155.08556	20.5
156.09370	21.1
157.10132	56.4
158.10886	8.2
159.08022	9.3
159.11667	27.9
161.13246	16.0
163.11159	7.4
165.07024	7.2
167.08539	10.1
167.10715	31.4
168.09248	6.1
169.10156	35.2
171.11694	34.9
173.09634	8.6
173.13284	26.5
175.14857	23.6
179.08577	16.0
180.09373	7.2
181.10133	19.5
181.27036	4.3
182.10902	19.4
183.11678	23.6
185.09558	5.9
185.13258	17.7
187.11226	6.8
187.14819	13.5
189.12807	6.1
193.10152	16.0
194.10941	8.8
195.11687	21.0
196.12289	5.5
197.13286	31.0
199.14845	11.9
200.11943	6.3
207.11723	19.6
208.12343	4.9
209.13271	24.1
211.14932	11.9
215.14304	6.5
221.13226	10.4
221.15329	6.8
223.14792	25.2
225.12790	4.5
225.16321	4.1
227.12756	6.4
231.11612	4.3
233.13275	8.2
233.15385	68.9
235.14774	7.1
237.16252	6.2
239.17961	7.8
245.13356	7.6
247.14815	4.9
247.17114	5.9
249.16278	5.4
251.17964	5.2
265.19684	6.4
267.21100	9.6
273.18515	15.0
275.17883	5.0
283.15109	5.2
289.19409	5.6
299.20111	29.3
310.31146	5.3
311.20105	11.0
323.20090	7.0
339.29071	7.0
345.25751	19.3
351.23273	6.4
363.23309	7.9
389.24551	5.9
443.29532	14.4
467.37186	13.3
473.33649	8.7
509.33871	5.5
547.39587	8.0
565.40369	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.3
53.17500	2.0
55.01866	3.5
55.05269	2.5
55.05515	21.9
57.03439	13.3
57.07082	5.0
62.21198	2.1
65.03943	4.0
67.05509	91.7
69.03448	10.1
69.07068	23.4
71.05000	5.7
71.08619	2.3
71.51829	3.4
78.84566	2.0
79.05495	76.7
81.03413	6.6
81.07062	95.2
83.04990	13.2
83.08617	8.8
85.02901	6.4
85.06539	4.7
87.04461	9.0
91.05481	47.0
93.07047	99.4
95.04964	9.8
95.08614	65.8
97.06522	4.7
97.10168	6.0
105.07040	36.5
107.04959	4.1
107.08601	57.2
109.06506	4.2
109.10168	25.8
111.11766	2.4
115.03938	2.7
117.07018	12.4
119.08595	24.2
121.06523	2.9
121.10149	100.0
123.08102	10.1
123.11701	16.6
125.09682	4.4
129.05486	2.7
129.07002	4.8
131.08577	47.9
133.06403	2.3
133.10149	17.5
135.08055	4.8
135.11714	16.4
137.09616	3.4
137.13258	6.0
139.11198	10.1
143.08568	5.9
145.10150	17.7
147.11674	10.9
149.09622	38.3
149.13301	11.3
157.10226	2.3
159.08061	3.0
159.11699	14.2
161.13263	8.1
163.14857	6.7
167.10701	38.1
167.46228	2.0
171.11644	3.9
173.13220	12.1
175.14868	4.1
177.09148	6.1
185.11740	9.6
185.13226	3.3
187.14825	4.6
195.10135	7.8
203.12756	3.3
209.13167	2.3
211.18330	2.2
213.11226	4.4
241.14253	2.9
243.21089	10.6
259.20630	2.7
261.22168	41.6
269.13953	5.3
279.23141	5.8
287.14896	58.5
317.24695	8.5
333.79239	2.0
335.25858	62.1
353.26563	3.7
547.36267	7.5
565.24152	4.7
565.32507	5.8
565.38715	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	565.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.5
55.01870	6.7
55.05518	26.4
57.03427	11.8
57.07058	5.8
61.84780	2.5
67.05508	86.2
68.67416	2.5
69.03419	9.3
69.07073	21.6
71.52069	2.5
71.52444	4.3
79.05500	84.1
81.00838	2.5
81.03401	8.1
81.06596	4.5
81.07062	83.4
83.05001	14.6
83.08641	12.8
85.02913	3.8
85.06527	4.0
87.04469	5.4
91.05486	50.5
93.07047	93.4
95.04953	12.5
95.08612	66.7
97.06532	6.6
97.10149	4.2
99.08125	2.6
105.07039	43.1
107.04942	7.0
107.08599	57.4
109.06531	2.9
109.09476	3.3
109.10168	35.1
111.08123	3.3
115.03931	3.2
115.05405	2.7
117.07015	15.5
119.08597	38.6
120.73561	2.9
121.06466	4.3
121.10153	100.0
123.04465	2.8
123.07989	5.7
123.11700	13.5
125.09577	4.3
128.06256	3.1
129.07013	10.4
131.08583	45.2
133.10146	25.6
135.08018	4.1
135.11685	26.3
137.13264	3.1
139.11182	9.7
143.08601	6.6
145.10107	22.5
147.08064	3.3
147.11673	10.8
149.09634	27.8
149.13251	13.5
154.71162	2.7
155.08577	6.1
157.10115	5.9
159.08067	4.8
159.11710	16.9
161.13277	12.0
163.14850	5.0
167.08566	4.0
167.10680	34.1
169.10078	6.8
171.11687	7.9
173.13255	11.8
175.14772	9.3
177.09125	5.6
181.10239	6.1
185.11702	7.3
185.13220	6.2
187.14833	9.9
189.12766	3.0
193.10193	3.1
195.10106	5.9
195.11754	5.0
195.68875	2.8
197.13237	3.8
199.14717	3.4
207.11687	4.4
211.14839	4.0
213.11166	3.4
221.13213	4.5
223.14958	4.4
227.37798	2.9
227.76401	3.1
233.15410	4.1
241.14323	6.6
243.21013	13.0
244.39407	3.0
253.19484	3.2
261.22168	51.8
269.13754	7.9
279.23071	5.1
287.14920	36.4
317.24756	12.5
335.25812	57.7
467.70544	2.8
473.34296	5.2
547.36646	15.5
565.39343	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.4
55.01870	9.7
55.05514	25.5
57.03445	20.8
61.02908	6.9
65.03956	5.1
67.05514	75.0
69.03455	19.8
69.07076	43.8
69.30872	30.6
69.31283	6.6
70.06588	3.7
71.04985	7.3
79.05496	64.8
81.03416	12.3
81.07066	100.0
81.34544	3.7
83.04990	18.1
83.08615	16.7
83.89348	4.2
85.02924	11.1
85.06534	7.5
91.03963	7.2
91.05490	54.5
93.07053	65.9
95.04986	20.6
95.08612	43.3
97.02915	8.1
97.06541	54.4
97.10185	9.8
99.08115	7.3
101.28326	3.8
105.04473	4.9
105.07047	42.1
107.04966	9.1
107.08595	41.1
109.02927	4.9
109.06542	9.8
109.10192	20.3
111.08073	10.5
115.05507	4.0
117.07026	27.7
119.08587	37.4
121.06484	5.7
121.10142	29.4
123.11741	4.6
125.09615	5.6
127.03915	5.3
129.06989	9.8
131.08569	26.0
133.10150	29.0
135.07996	5.1
135.11711	32.5
137.06029	5.3
137.09586	4.5
143.08620	10.0
145.10121	20.2
147.11722	19.2
149.09628	14.5
149.13248	19.6
155.08603	4.6
157.10094	7.5
159.11700	26.4
161.13264	6.3
163.11153	13.4
171.11691	5.5
173.09744	5.5
173.13274	15.9
174.15855	4.2
177.12756	31.3
179.14365	16.8
180.61363	4.2
181.12262	5.2
185.13225	4.5
189.09241	4.7
189.11040	3.9
194.72653	4.3
195.13824	14.9
197.13304	5.9
215.06995	6.4
229.14308	5.0
229.19655	5.1
239.17982	5.1
247.20457	5.5
251.16377	5.1
255.15950	62.7
257.19006	16.5
267.16153	4.1
269.17496	94.9
275.20090	34.7
293.21173	4.3
309.20624	14.1
311.12729	9.0
349.23718	83.3
355.15387	31.5
367.24847	16.3
485.28745	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	565.1192
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.48112	0.1
55.01846	0.2
68.99786	0.3
69.03411	0.2
69.73334	0.8
85.02895	0.2
87.00841	0.1
98.21464	0.3
99.00797	0.4
112.01588	0.4
127.00256	0.5
134.03645	0.3
135.04402	0.6
137.02361	1.7
137.05974	0.2
167.06998	0.3
168.00551	10.2
169.01334	1.0
175.79616	0.1
176.04723	0.3
186.01587	3.0
186.03133	0.3
202.99808	0.1
228.03934	0.2
271.05902	0.4
273.03922	0.3
274.04736	0.7
285.04095	0.3
299.05469	0.2
301.03452	0.6
302.04227	66.3
303.04553	1.1
310.12064	0.2
317.06570	100.0
318.06891	1.4
565.11676	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.7
55.01864	7.0
55.05516	26.3
57.03430	16.1
57.07054	4.7
65.03931	7.0
65.21497	4.2
67.05508	91.1
69.03416	10.9
69.07077	20.9
70.06615	3.8
71.51358	5.7
79.05073	6.0
79.05495	76.5
81.03420	7.8
81.07064	79.1
83.04973	12.9
83.08614	12.1
85.02891	3.7
85.06535	5.1
87.04458	4.4
91.05492	46.2
93.06483	6.2
93.07048	88.2
95.04964	11.5
95.08615	65.2
97.06522	8.4
97.10163	6.8
105.07029	35.2
107.04962	5.6
107.08607	46.8
109.10182	28.4
116.07083	7.0
117.07009	12.5
119.08594	27.2
121.10155	100.0
123.08093	9.0
123.11687	13.7
129.06989	5.5
131.08577	45.2
133.06496	4.9
133.10126	23.9
135.11665	16.3
137.09625	5.1
139.11198	10.1
143.08545	4.6
145.10118	12.9
147.11671	13.1
149.09630	29.2
149.13220	11.1
157.10089	3.8
159.08130	5.5
159.11671	13.9
161.13213	7.6
163.14851	5.1
167.10655	27.6
168.95622	3.8
171.11763	4.4
173.13252	7.3
177.09102	5.4
179.76295	3.9
185.11763	7.2
187.14789	4.5
195.10176	9.0
195.11740	6.6
199.14862	4.0
213.11189	7.3
217.92389	4.7
222.63554	4.1
243.21077	9.7
261.22156	38.4
269.13818	5.4
287.14902	52.7
317.24750	9.7
331.07983	5.3
335.25854	67.9
547.36188	13.5
565.39197	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	563.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.6
55.01871	5.9
55.05519	42.3
57.03428	9.3
57.07067	4.3
65.03936	5.2
67.05511	82.8
69.03429	4.6
69.07069	29.5
71.04984	12.2
71.31265	6.0
79.05068	5.0
79.05495	65.4
81.03411	10.2
81.07067	100.0
83.04987	11.5
83.08635	20.1
85.06559	5.1
91.04984	3.6
91.05498	49.7
93.06490	4.1
93.07053	72.0
95.04999	12.9
95.08617	61.6
97.06544	14.6
97.10194	14.0
103.05456	3.8
105.06403	4.1
105.07047	54.4
107.04968	5.3
107.07959	4.7
107.08609	41.6
109.06536	5.2
109.10166	32.1
111.08080	5.1
117.07040	16.9
117.07749	3.0
119.08599	41.9
120.08902	3.0
121.06486	4.7
121.10153	44.9
123.08084	6.9
123.11707	8.3
125.09644	8.9
129.07047	12.8
131.08580	36.0
133.10150	31.9
135.08022	6.0
135.11760	17.0
137.09540	3.8
137.13191	2.8
139.11197	11.9
141.06979	3.5
142.07787	4.4
143.08569	15.2
145.06377	3.1
145.10109	27.3
147.11684	24.4
149.09680	5.3
149.13249	9.6
155.08553	4.5
157.10172	17.4
159.11699	16.7
161.09592	3.8
161.13281	12.7
163.11284	3.8
167.10762	3.2
169.10109	6.5
171.11703	13.2
173.13245	15.1
175.11174	4.9
175.14738	5.8
177.12688	5.0
181.10052	2.7
181.12300	3.5
183.11693	6.4
185.13309	6.3
187.14821	6.6
189.11234	8.2
193.12263	5.4
195.11717	5.4
197.13225	3.8
199.14850	6.8
201.16425	3.6
203.12762	4.4
213.16533	3.9
223.14868	2.7
227.12790	4.0
229.14276	7.1
239.16269	4.6
241.14354	5.0
243.20903	4.5
259.15448	3.7
259.20627	3.8
261.22208	4.2
267.15982	10.4
269.17438	4.9
283.24167	3.2
287.23694	9.2
289.21634	11.2
299.23798	3.9
301.25278	7.4
329.78656	2.7
335.25833	9.3
351.25589	3.1
363.25360	7.3
417.26199	2.9
419.36276	2.7
435.32742	8.9
453.33746	17.9
471.34854	13.8
471.69241	2.8
509.36539	4.0
527.37408	38.0
545.38428	53.2
563.39166	38.0
588.04443	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	563.395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60455	1.7
51.79250	2.2
51.86143	1.7
53.03941	3.5
55.01875	2.4
55.05519	21.1
57.03451	11.6
57.07064	4.2
61.05214	1.7
67.05512	53.3
69.07082	24.9
71.04980	1.9
71.50588	2.2
79.05064	3.3
79.05494	34.0
80.65285	2.0
81.06590	3.3
81.07064	59.4
83.04989	4.1
83.08635	14.7
91.05473	15.7
93.07057	44.6
95.04966	7.7
95.08616	63.8
97.02900	2.0
97.06541	5.7
97.10174	3.6
99.04461	3.3
105.07038	15.6
107.04955	7.2
107.08608	34.7
109.06498	2.5
109.10159	12.0
111.04461	1.8
111.08099	3.1
115.64680	1.8
116.84383	1.6
117.07076	9.1
119.08592	15.9
121.06502	7.0
121.10155	19.5
123.08125	2.2
123.11697	5.6
124.93625	1.8
125.06022	2.2
129.06992	1.9
131.08556	3.2
133.10141	8.1
135.08020	2.2
135.11702	38.2
137.13251	2.3
143.08585	2.5
145.10135	31.5
146.22763	1.9
147.11592	2.7
149.13300	2.3
157.10109	3.3
161.13313	4.6
163.09869	3.4
163.11194	54.7
175.14777	2.0
181.12259	10.9
199.14935	2.3
209.11755	2.2
215.75526	1.9
227.12801	100.0
263.23846	4.5
283.15408	27.0
337.23184	3.1
337.27377	63.7
444.71811	2.0
458.07025	2.2
545.30646	3.7
545.38409	55.6
546.38208	2.6
549.77179	2.2
563.39032	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	561.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.2
55.01886	5.7
55.05302	3.1
55.05516	29.8
57.03427	13.2
57.07083	5.1
67.05510	98.9
69.07072	25.1
69.89832	17.4
71.05001	7.0
79.05069	5.3
79.05501	77.3
81.03426	6.5
81.06593	6.0
81.07065	100.0
83.04975	10.4
83.08631	18.3
85.06572	5.4
91.05494	63.0
93.07054	85.5
95.04980	13.3
95.08614	76.9
97.06537	9.7
97.10162	9.3
103.05549	3.8
105.07048	44.4
107.04939	9.2
107.08601	61.0
109.06530	5.4
109.10178	30.2
111.04470	5.7
111.08079	5.5
115.05375	4.0
117.07027	21.3
119.08590	36.3
121.06469	6.8
121.10157	44.2
123.11690	18.4
125.09616	3.9
129.07007	8.9
131.08578	39.8
133.10118	31.1
135.08066	6.7
135.11702	53.0
137.13239	5.7
139.67525	3.1
143.08534	7.2
145.10136	45.1
147.08064	6.2
147.11685	16.6
149.09608	17.0
149.13263	12.1
151.11229	5.3
153.12805	4.2
157.10182	9.8
157.64514	3.5
159.11734	15.2
161.13257	9.0
162.78308	3.1
163.11205	55.3
163.14844	4.1
165.12802	3.5
171.11705	5.3
173.09514	5.4
173.13277	11.5
174.09630	3.4
181.12288	8.5
183.11650	4.1
187.14894	7.4
191.10738	11.1
195.09448	3.6
197.13312	5.3
209.11703	14.0
227.12808	63.2
243.21078	6.9
261.22177	32.1
273.92532	3.3
277.21741	4.4
283.15375	40.6
317.24765	10.0
335.25876	66.7
346.20837	3.4
451.32205	6.8
469.32947	7.6
487.34354	4.1
525.35669	8.5
543.36859	78.8
561.37897	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	561.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.5
55.01857	3.5
55.05273	1.6
55.05516	23.7
57.03431	4.1
57.07076	2.9
65.03949	4.9
67.05511	81.3
69.03416	2.9
69.07073	18.9
71.04997	46.3
71.08619	1.5
73.06526	0.9
77.03934	2.3
79.05499	66.9
81.03407	3.8
81.07063	100.0
83.04987	11.2
83.08632	11.1
85.06548	7.1
91.05490	64.2
93.07052	66.1
95.04972	7.2
95.08615	40.0
97.02911	1.2
97.06532	10.0
97.10157	4.0
99.08102	3.0
100.94304	0.9
105.04508	2.6
105.07041	36.9
107.04971	2.5
107.08603	35.6
109.06522	3.5
109.09489	1.2
109.10173	17.1
111.04436	2.1
111.08085	5.0
113.73371	1.0
115.05457	1.8
117.07020	11.1
119.08590	15.5
120.88720	1.0
121.06535	1.8
121.10152	25.8
123.08072	3.0
123.11723	19.3
125.09623	3.5
129.06989	2.8
131.08568	16.2
133.10144	29.3
135.08060	1.5
135.11705	17.6
137.09587	2.4
139.11205	2.0
141.07054	1.1
143.08569	2.3
145.10133	11.9
147.11702	7.7
149.09595	2.3
149.13287	12.9
151.11195	13.7
155.08511	1.5
157.10214	2.4
159.11708	10.2
161.09601	1.2
161.13277	3.6
163.11140	3.8
163.14828	1.3
165.12755	1.5
169.10136	1.6
171.11668	1.4
173.13295	5.6
175.14847	2.8
177.12808	5.3
183.13828	14.6
185.13345	2.1
187.13304	3.2
187.14847	1.4
195.13826	5.6
199.14745	1.9
201.16425	1.0
209.11713	2.1
227.12759	1.7
227.16472	2.4
245.13792	1.3
251.48578	1.0
257.17496	1.2
261.22183	4.5
269.17587	2.9
269.96515	1.2
271.20737	0.9
275.20160	1.4
283.18790	2.1
285.16904	4.8
293.21194	5.6
317.24802	1.6
335.25690	1.7
349.27338	1.5
361.27353	1.8
363.25235	2.7
433.31180	1.5
437.34354	1.5
451.32028	1.3
454.54956	1.1
473.22501	1.4
517.38824	18.0
529.39008	6.9
537.02087	1.4
543.36285	6.4
561.24414	10.0
561.42017	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.2
53.46072	2.4
55.01865	3.8
55.05520	18.9
57.03435	6.0
57.07082	4.4
64.69435	2.6
65.03965	4.0
67.05507	56.5
69.07057	10.8
69.40039	16.7
71.04991	3.0
72.21996	2.2
77.79938	2.1
79.05505	45.2
81.07063	64.5
83.08621	9.7
91.05490	25.4
93.06481	4.3
93.07053	64.7
95.04981	9.2
95.08613	54.5
97.02898	4.2
97.06520	6.5
99.04469	3.4
101.73514	2.3
105.07034	15.9
107.04960	8.1
107.08595	38.4
109.10154	16.8
111.08064	2.7
117.07050	13.6
119.08611	17.7
121.06514	7.3
121.10140	23.5
123.11711	7.5
126.43285	2.3
129.07010	4.4
131.08603	7.2
131.32703	2.5
133.10149	9.4
135.08023	2.6
135.11700	49.3
137.13220	2.8
143.08638	2.9
145.10130	30.5
147.11732	4.4
149.13245	5.4
159.11685	5.9
161.13220	5.5
163.11195	60.2
163.14880	2.9
173.13274	3.6
175.14323	2.2
181.12254	10.0
187.14919	2.8
195.19427	2.2
209.11757	2.8
227.12798	100.0
232.79433	2.5
243.21167	5.7
250.92239	2.5
261.22183	24.3
277.21796	2.5
279.23438	3.1
283.15427	43.7
317.24677	9.5
335.22079	4.6
335.25842	52.2
469.33121	3.4
543.36835	38.7
561.38007	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	563.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.9
55.01873	11.8
55.05519	36.8
57.03429	10.1
57.07067	6.4
59.05005	2.7
60.69787	2.6
65.03940	6.8
67.05507	95.9
69.03422	9.0
69.07079	25.7
71.04995	10.3
73.43919	2.5
79.05499	51.9
80.97237	2.7
81.03429	19.7
81.07060	100.0
83.04982	18.5
83.08627	26.3
85.02898	8.6
85.06573	4.1
91.05485	55.0
92.05817	3.0
93.07049	66.9
95.04973	18.3
95.08608	70.9
97.06530	14.0
97.10184	13.8
98.20695	4.5
99.08106	4.4
103.05487	3.1
105.04561	4.2
105.07035	62.4
107.04964	6.1
107.08603	46.9
108.26968	3.1
109.06517	8.2
109.10155	37.6
109.10846	3.6
111.04468	6.1
111.08105	8.9
115.05460	3.3
117.07014	17.4
119.08586	50.0
121.06490	5.4
121.10149	36.8
123.08102	8.6
123.11703	17.1
125.09610	14.0
127.11266	4.3
128.06287	3.2
129.07036	12.8
131.08569	37.0
131.13518	3.1
133.10146	46.2
135.08058	7.7
135.11720	21.6
137.09555	7.0
137.13219	3.8
139.11166	4.2
141.06938	3.6
142.07828	6.3
143.08536	20.2
144.09329	3.0
145.10121	30.7
147.08034	8.3
147.11716	25.3
149.09641	13.4
149.13284	9.1
151.07573	4.9
151.11240	3.7
153.06990	3.8
155.08551	5.3
156.09332	4.4
157.10133	23.7
159.11705	22.0
161.09657	5.6
161.13292	10.7
163.11224	8.6
165.09207	4.5
167.08595	5.5
168.09325	2.9
169.10075	13.4
171.11729	12.8
173.13246	21.6
175.11232	5.4
175.14851	4.8
177.12701	3.6
179.08543	3.2
181.10175	5.7
181.12300	4.3
183.11699	10.2
185.13289	7.1
187.14876	8.3
189.11198	6.8
189.12778	3.0
193.10316	5.9
193.12292	17.9
193.13853	3.1
195.11700	6.7
197.13255	7.3
199.14827	8.8
201.16441	4.2
205.10202	3.0
207.11714	5.1
208.12564	3.5
209.11508	3.6
209.13300	8.2
211.13312	19.4
211.15005	5.1
213.16223	4.2
217.10181	3.0
219.11740	4.0
220.12633	3.1
221.13350	5.9
221.15408	8.1
223.14828	4.5
227.12839	8.4
229.14299	3.4
231.11768	4.3
233.15393	4.2
235.14865	4.9
237.16397	2.8
239.18048	3.9
245.13376	3.8
249.16444	3.6
251.18015	5.2
257.13403	3.9
261.16373	4.5
261.19736	2.7
261.22079	14.5
267.15866	4.3
270.14059	4.0
271.14780	3.6
283.15195	5.3
285.16837	11.7
285.22064	3.8
297.16382	3.3
303.23349	9.4
317.24667	3.6
335.25784	15.6
341.24866	4.1
351.39603	2.9
421.07556	2.9
435.32791	8.2
451.62491	2.9
453.33578	11.4
471.34290	7.0
489.35770	4.8
527.37335	26.1
545.30823	8.2
545.38177	62.9
563.31659	10.5
563.39142	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.8
55.05509	16.2
63.39416	2.9
67.05507	18.8
69.03435	8.5
69.07066	13.5
70.63374	6.7
70.63714	3.5
71.04979	3.5
79.05499	20.8
81.03416	7.5
81.07056	16.4
83.04975	4.9
83.08624	6.8
91.05484	18.0
93.07050	12.3
95.04989	7.5
95.08620	7.8
97.02875	3.8
97.10165	9.7
105.07037	11.1
107.04957	5.4
107.08593	9.3
109.10150	8.6
115.05482	3.9
117.07011	5.6
119.08566	7.7
121.10141	5.4
123.08092	4.7
125.09630	8.0
129.07053	5.8
131.08565	7.6
133.10258	3.3
135.08119	4.0
145.10127	7.4
147.08035	5.5
161.09613	3.1
181.05064	5.8
189.11279	7.0
193.12190	4.5
223.13368	12.1
228.61398	3.7
249.15039	3.3
267.15964	5.3
273.18500	9.4
275.28836	3.3
285.16916	4.6
288.52325	3.6
291.19568	100.0
304.29309	3.2
365.23270	90.2
438.65176	3.6
500.22375	3.8
562.36743	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	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54620	1.8
52.91925	1.8
52.92548	1.7
53.03942	4.7
55.01858	4.8
55.05313	1.7
55.05513	19.1
57.03428	6.1
57.07059	2.9
62.32940	1.6
65.03938	4.1
67.05187	3.2
67.05516	49.8
69.03430	1.8
69.07076	14.0
69.18320	15.4
69.18754	4.8
71.04990	2.6
79.05499	44.8
81.06596	3.4
81.07059	49.7
83.04967	3.2
83.08619	9.7
91.05492	23.3
93.06490	4.1
93.07050	61.4
95.01189	2.0
95.04982	11.0
95.08621	53.0
97.02878	4.8
97.06530	6.7
97.10144	2.7
99.04462	3.6
105.07042	16.1
107.04985	9.2
107.08601	42.8
109.06516	3.5
109.10161	15.2
111.04470	3.0
117.07047	12.8
119.08609	14.4
121.06523	4.8
121.10159	22.9
123.11723	5.4
125.05988	2.0
125.09615	2.6
131.08569	10.7
133.10161	10.2
135.08098	4.0
135.11699	46.6
143.08559	3.1
145.10126	32.3
147.08083	2.6
147.11720	4.7
149.09665	2.9
149.13219	5.0
159.11722	4.4
160.65704	1.9
161.13269	2.8
163.11197	52.8
163.14883	3.0
173.09657	4.5
173.13409	4.2
181.12289	9.9
187.14755	2.1
187.67856	2.0
191.10631	2.3
209.11685	3.4
227.12805	100.0
228.13226	2.3
233.22623	2.1
243.21140	5.0
245.13849	2.1
261.22180	26.6
265.14301	3.7
283.15439	28.9
284.96283	1.9
317.24811	5.8
335.25809	49.4
469.33395	3.3
543.36816	30.6
561.37848	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	561.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
55.01869	6.7
55.05516	20.8
57.03452	10.3
57.07067	2.6
60.20251	1.5
66.72600	1.4
67.05511	72.7
69.07083	17.5
70.07730	5.3
71.05017	8.5
77.03943	1.8
79.05502	57.0
81.03418	4.4
81.07066	73.1
83.04979	6.0
83.08621	12.5
85.06543	3.1
91.05491	30.7
93.07054	72.7
95.04959	9.2
95.08616	74.2
97.02893	4.1
97.06522	6.2
97.10172	3.7
99.04472	2.4
105.07028	27.9
107.04945	8.7
107.08603	52.0
109.06522	2.1
109.10171	20.1
111.04443	2.3
117.07034	14.9
119.08587	20.6
121.06537	4.6
121.10158	29.1
123.11687	8.2
125.05930	2.0
129.07027	2.5
130.07820	2.8
131.08563	11.5
133.10144	16.1
135.08072	2.2
135.11708	60.5
137.13275	4.2
139.07585	2.0
145.10135	36.0
147.11719	6.0
149.09657	2.2
149.13309	9.0
151.11130	3.2
151.14810	1.8
159.11682	10.0
161.13290	6.4
163.11197	49.6
163.14873	3.6
173.13316	4.4
175.14896	2.4
181.12274	10.4
187.14761	3.4
209.11661	2.8
227.12796	100.0
243.21092	7.2
261.22159	31.0
283.15408	36.8
317.24771	13.0
335.25836	74.3
335.29971	3.0
375.62619	1.6
379.95398	1.8
386.40234	1.8
517.39032	3.1
543.36749	30.8
561.40326	8.5
584.16510	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.5
55.01867	7.7
55.05516	25.0
56.73645	2.2
57.03438	11.4
57.07057	2.7
60.55976	2.3
61.58181	2.5
65.03932	3.3
67.05511	73.5
69.07079	16.7
71.04996	5.7
71.08953	5.8
71.09300	2.5
78.64902	2.5
79.05497	57.9
79.48270	2.8
81.03397	5.5
81.06584	4.9
81.07062	73.8
83.04980	4.5
83.08636	12.8
91.05479	41.4
93.06481	5.3
93.07047	82.1
95.04977	10.5
95.08610	70.6
95.09180	5.0
97.02871	5.0
97.06549	6.8
97.10168	5.3
105.07032	23.8
107.04977	11.8
107.08600	43.9
109.06537	3.7
109.10172	24.0
111.08050	4.4
117.07016	22.7
119.08591	22.1
121.06532	6.1
121.10149	27.1
123.08123	2.9
123.11700	9.3
125.05976	3.0
125.09624	2.9
129.07001	3.6
131.08578	16.2
133.10173	16.1
134.96515	2.5
135.08090	3.6
135.11700	54.2
135.12723	3.9
139.11153	3.4
143.08640	3.1
145.06621	2.8
145.10121	39.2
147.11691	9.8
149.13243	9.4
155.00977	2.6
157.10211	2.8
158.99051	2.5
159.11705	8.8
161.13300	6.5
163.11209	49.7
163.14847	3.3
173.09608	3.4
173.13280	7.1
175.14864	3.8
181.12196	12.3
183.11739	2.7
187.14893	6.0
191.10730	4.3
202.51672	2.5
209.11763	7.9
213.20004	2.7
227.12790	100.0
243.21065	5.7
252.29028	2.6
261.22122	31.4
283.15408	40.7
317.24719	12.3
335.25882	44.0
469.32977	4.1
543.36908	40.2
561.37939	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	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.5
54.79675	3.2
55.01886	7.6
55.05521	28.8
57.03439	10.2
57.07067	4.5
65.03958	4.2
67.05180	5.7
67.05513	78.8
67.85973	2.8
69.07080	20.6
69.50420	21.6
71.04995	4.7
77.03924	3.8
79.05503	67.2
81.03418	5.2
81.07069	84.7
83.05005	5.7
83.08620	16.5
91.05488	37.4
93.07053	92.2
93.63522	2.8
95.04971	12.9
95.08620	81.2
97.02930	3.7
97.06546	5.5
97.10207	3.6
99.04457	6.2
105.07047	29.5
107.04982	11.5
107.08604	53.7
109.06521	6.0
109.10172	28.3
117.07027	22.0
119.08588	29.2
121.06524	7.7
121.10156	35.6
123.11753	8.3
129.07039	4.6
130.07773	3.6
131.08568	19.0
133.10173	20.3
135.11707	55.8
137.13312	4.2
139.11299	3.1
143.08620	4.6
145.10141	47.4
147.11685	9.0
149.09654	9.6
149.13283	12.3
151.11288	3.7
159.11769	8.3
161.13240	7.5
163.11189	66.3
163.14861	4.5
173.09721	4.0
173.13297	4.3
175.14851	4.8
181.12274	12.1
185.13229	3.1
187.14944	4.6
191.10736	10.1
209.11803	8.7
221.54651	3.2
227.12811	100.0
243.21205	9.9
261.22241	25.3
265.14392	7.1
283.15482	41.5
283.73767	3.2
317.24789	12.1
335.25833	62.2
447.73639	3.6
451.32114	4.2
469.33057	3.9
543.36871	50.8
561.38135	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01863	4.7
55.05279	1.6
55.05515	19.5
57.03450	6.8
57.07073	3.8
65.03929	3.1
67.05508	49.1
69.03422	1.9
69.07072	11.5
70.08455	4.9
71.04977	3.6
74.95899	1.0
77.58691	1.1
79.05498	47.1
81.03420	2.2
81.07059	49.6
82.14436	0.9
83.04985	5.3
83.08626	10.8
85.06537	3.7
91.04983	1.7
91.05488	19.4
93.07047	65.9
95.04968	8.5
95.08611	60.7
97.02888	3.6
97.06532	4.2
97.10139	2.5
99.04450	3.9
103.05457	1.1
105.07024	15.4
107.04972	7.8
107.08598	43.9
109.06511	2.9
109.10152	12.7
111.04426	1.5
111.08067	1.7
117.07032	12.0
119.08597	14.9
121.06534	6.0
121.09323	2.0
121.10146	24.6
123.11743	5.1
125.06007	2.5
125.09671	1.0
129.06926	1.5
130.07762	2.3
131.08554	7.4
133.10107	9.4
135.08054	1.9
135.11702	53.6
136.11987	1.3
137.13249	2.4
139.07535	1.2
143.08577	2.5
145.09053	2.0
145.10133	29.1
147.11681	5.0
149.13307	6.9
159.11664	5.5
161.13274	4.6
163.11185	50.5
163.14848	3.4
171.62370	1.0
173.13261	5.0
175.14838	2.1
181.12251	11.3
187.14906	1.5
189.09744	1.1
209.11621	1.6
227.12785	100.0
228.13063	1.4
233.22627	1.4
243.21033	4.6
261.22150	28.9
283.15436	32.9
317.24829	8.5
335.25800	52.7
336.26263	1.1
357.93961	1.1
469.33173	2.0
543.36859	40.9
561.24615	4.2
561.38312	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23237	3.2
53.03942	5.1
55.01876	5.4
55.05510	10.1
57.03456	4.6
67.05516	23.3
69.03429	9.0
69.07079	8.2
70.37334	6.2
70.37720	7.7
71.04997	33.1
72.20003	3.1
73.02906	4.8
79.05509	20.8
80.25688	3.2
81.03406	7.4
81.07069	19.5
81.07462	3.6
83.04986	3.7
83.08631	4.9
84.05262	3.2
85.01138	19.3
91.05482	49.9
93.07055	32.0
95.04976	8.3
95.08601	14.7
97.01141	7.2
97.10198	3.8
103.05464	6.9
105.07039	39.8
107.04963	8.2
107.08609	20.1
109.02866	3.0
109.06492	7.8
109.10176	13.1
115.05453	13.2
117.07023	23.8
119.04920	6.3
119.08591	19.0
121.06526	17.2
121.10123	4.5
123.04454	7.2
123.08008	3.9
125.05970	3.4
125.09634	9.6
127.11199	86.3
128.06223	27.8
129.07024	39.4
130.07784	10.1
131.01625	11.2
131.08566	35.9
133.06525	11.9
133.10104	10.6
134.07280	5.5
135.08073	5.9
135.11656	4.1
135.49577	3.4
137.05988	14.6
137.09721	3.1
141.06992	32.6
142.07822	15.9
143.08575	71.5
145.06483	8.2
145.10121	35.9
147.02646	4.8
147.04471	6.3
147.08061	10.7
147.11674	5.9
149.04225	3.7
149.05994	7.1
150.06822	5.9
151.07562	12.0
152.06219	4.8
153.07039	7.0
154.07782	27.8
155.08559	23.7
156.09380	9.2
156.65503	3.2
157.06493	7.4
157.10161	9.8
158.07265	5.0
159.08020	17.9
159.11693	16.6
161.04289	4.5
161.05988	18.1
161.09621	11.4
161.13156	4.3
163.07535	14.1
164.08334	6.6
165.07013	5.6
165.09113	5.4
166.07799	3.5
167.08528	22.8
168.09349	6.8
169.03178	17.1
169.06511	5.6
169.10144	84.8
170.10847	5.3
171.02675	4.0
171.08064	24.9
171.11693	31.5
173.06058	4.7
173.09660	9.4
173.13213	7.5
174.06737	9.8
175.05994	6.9
175.07544	57.7
176.08316	12.8
177.09201	8.9
179.08586	11.1
181.06453	4.3
181.10106	4.8
182.07281	10.7
183.04813	25.4
183.08105	7.1
185.09683	9.2
186.05051	5.3
187.05988	3.8
187.07594	13.5
187.11255	26.6
188.08374	7.4
189.09132	29.9
191.05325	6.2
193.03166	4.7
195.04778	15.3
195.08058	6.5
197.06334	4.3
197.09608	43.3
199.07619	9.1
199.11240	11.1
201.07335	35.5
201.09088	7.4
203.08978	4.6
203.14343	5.8
207.04730	19.6
209.06360	15.0
213.09108	15.3
213.12563	3.8
215.10683	95.2
217.12250	18.3
219.04700	4.0
219.08501	4.2
221.06371	11.6
225.09102	23.7
229.06808	5.7
229.12134	3.9
230.13107	7.8
231.08372	6.5
231.10387	6.1
231.13817	100.0
232.14618	16.5
233.11754	5.1
241.08647	5.2
243.10190	56.2
247.07880	37.5
249.09448	10.3
261.11200	10.9
263.11029	36.0
265.08923	4.3
265.12589	27.5
275.07401	20.3
277.09424	5.7
277.12582	22.0
281.12277	3.9
289.12567	8.2
293.08441	25.3
293.12079	23.7
295.10144	4.4
311.09500	6.7
387.54752	3.5
397.14859	3.8
433.21112	4.2
443.15002	6.5
451.15692	4.2
469.16650	10.7
479.22452	12.1
489.20825	3.6
497.23489	11.6
507.22125	21.4
525.23096	84.8
543.24176	44.1
543.36530	4.7
578.94946	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	559.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.4
53.03952	12.5
55.01868	4.0
55.05513	29.0
57.03440	13.0
57.07072	4.8
57.42341	2.0
58.64454	2.1
61.96260	2.4
65.03922	6.9
67.05505	89.0
69.07073	22.6
69.82600	10.1
71.04971	3.6
73.30247	2.2
77.03916	3.4
79.05495	97.0
81.03411	7.7
81.07063	93.7
83.04980	15.6
83.08610	10.6
85.06545	6.1
91.04915	3.4
91.05485	73.8
93.07046	100.0
93.53187	2.1
95.04974	18.2
95.08611	62.1
97.06531	7.9
97.10156	7.8
98.21567	2.3
99.08099	2.6
105.04507	6.0
105.07037	51.4
107.04947	7.4
107.08589	31.2
109.06509	6.6
109.10155	19.7
117.07024	17.4
119.08593	32.6
121.06493	3.3
121.10142	23.6
123.08073	10.0
123.11672	6.4
128.06245	2.7
129.07019	16.5
131.08575	20.1
133.10132	20.6
135.11678	13.8
142.09593	2.2
143.08624	14.2
145.10123	21.0
147.11699	37.0
149.13245	9.6
151.46288	2.0
155.08510	3.7
157.10208	4.6
159.11697	11.3
161.09612	5.5
161.13260	16.7
163.14828	2.4
169.10100	3.8
171.11697	23.4
173.13309	5.1
174.08012	2.0
177.12700	2.3
185.13257	3.1
187.11209	3.1
187.14938	2.5
189.12775	9.7
195.11650	2.2
195.13666	2.4
197.13275	3.3
199.14845	3.5
207.13803	20.3
225.14856	2.5
243.21063	4.3
256.26443	4.1
259.20572	3.5
261.22153	14.1
279.15942	7.5
281.17490	50.4
317.24634	4.0
335.25848	28.2
449.34265	4.1
464.10159	2.0
529.38574	2.3
541.38947	67.5
559.23425	3.1
559.40375	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.05499	1.7
57.03428	0.6
59.04972	0.5
60.82011	0.5
67.05504	2.3
69.03440	3.2
69.07063	2.5
69.21875	4.6
70.06591	1.0
71.04986	0.5
71.08641	3.9
72.08144	1.1
74.24586	0.5
79.05489	1.7
81.03428	0.9
81.07053	3.7
82.06535	0.4
83.04979	1.4
83.08627	0.6
84.08141	1.8
85.02910	2.6
86.06078	4.2
86.09747	0.5
87.04504	0.5
89.79090	0.5
91.05507	1.0
93.07059	2.9
95.04978	0.6
95.08611	2.3
96.08120	1.8
97.02884	2.2
97.06532	1.6
97.10151	1.3
98.06087	0.7
98.09682	1.8
99.08105	2.4
105.07050	0.8
107.08583	1.1
108.08103	1.1
108.77316	0.5
109.02827	0.5
110.09720	0.6
111.11700	0.4
116.10739	15.2
116.59974	0.4
119.08565	0.6
121.10165	2.9
122.09669	1.2
124.07564	0.6
126.09122	0.5
127.03923	1.0
131.08572	0.7
134.99185	0.5
136.11287	0.6
139.11143	2.8
140.10704	0.5
143.10652	2.3
145.04840	0.5
145.10121	0.7
149.02353	0.7
149.09669	0.8
154.15906	2.5
166.15929	2.4
168.17453	0.8
178.15883	1.0
185.11630	0.7
196.17006	6.1
203.12802	9.6
214.18036	100.0
215.18356	1.3
228.19484	0.7
229.14456	0.7
282.20724	1.2
300.21576	2.5
329.16052	1.0
329.19754	0.5
376.23355	18.9
384.49701	0.5
398.28967	5.8
452.75598	0.5
462.27347	0.8
560.34424	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	559.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.0
55.05515	29.0
57.03443	16.1
57.07077	3.5
65.03937	6.7
67.05509	97.2
69.07066	16.4
69.26702	24.4
69.38435	2.6
79.05499	90.5
81.03433	6.2
81.07063	87.5
81.13164	2.3
83.04974	16.4
83.08618	9.9
85.06544	4.5
91.05489	72.1
93.07047	100.0
95.04972	17.5
95.08617	61.8
97.06529	6.5
97.10172	6.7
98.21495	3.6
99.08125	2.4
102.90283	2.7
105.07043	50.2
107.04970	6.2
107.08596	37.7
109.06523	5.1
109.10168	15.7
111.08090	3.9
117.07024	16.5
117.25710	2.7
119.08601	34.1
121.06490	4.6
121.10173	22.0
123.08065	6.8
123.11717	7.5
125.09638	3.9
128.06241	3.8
129.06972	15.6
131.08569	19.5
133.10146	21.7
135.08086	3.4
135.11647	17.9
141.06961	4.0
141.74545	2.6
143.08536	14.0
145.10141	22.2
147.08017	3.2
147.11702	39.0
149.13280	9.1
155.08545	3.3
157.10260	3.5
159.11717	10.7
161.13211	12.1
163.14874	3.3
169.10181	6.4
171.11685	20.1
173.13287	9.5
175.14899	3.2
183.11682	2.7
185.13336	3.0
189.12730	8.8
199.14917	4.7
205.12175	2.8
207.13835	24.1
261.22168	11.3
279.15921	7.2
281.17505	40.2
299.23645	3.2
306.20078	2.5
317.24603	3.3
335.25815	56.9
335.32379	2.5
422.71417	2.8
449.33884	3.9
541.38928	73.3
559.40253	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	559.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
55.01884	4.0
55.05518	10.1
57.03445	4.6
57.07096	3.6
62.70755	0.6
65.21069	0.6
67.05515	9.4
69.03436	1.0
69.07076	23.8
69.86132	3.3
71.08635	2.3
71.42171	0.5
79.05502	18.5
81.07071	8.6
83.08627	7.5
85.10192	0.8
91.05490	7.3
93.07064	8.8
95.04967	1.5
95.08619	8.0
97.06543	100.0
97.10172	7.3
99.08109	3.6
100.99873	0.7
103.05488	4.3
104.88647	0.6
105.07043	4.9
107.05000	3.4
107.08629	3.3
109.10169	2.4
110.03683	1.0
111.08097	1.2
111.11710	2.4
115.05470	1.6
117.07055	1.5
119.04929	3.8
119.08631	1.4
121.06524	10.8
121.10152	7.0
123.04441	0.9
123.11760	1.2
131.04950	1.4
131.08624	0.8
133.06532	3.8
135.08057	3.0
135.11699	4.5
136.05199	0.8
136.40111	0.6
137.06009	1.0
138.03073	2.0
142.07617	0.6
145.06508	2.1
145.10155	1.6
147.04434	2.8
147.08078	2.8
148.05202	1.7
149.06004	20.5
149.13257	1.8
151.07597	3.9
153.05484	24.6
159.08035	0.9
161.06003	1.4
162.06767	1.5
163.07567	4.9
163.14824	0.8
164.08372	0.8
165.09096	0.9
165.16455	0.9
166.06299	1.3
167.07040	1.5
171.08128	1.1
173.05975	1.5
173.09663	1.1
177.05534	1.2
177.09120	17.3
179.05486	1.1
179.07053	21.0
179.08568	1.3
181.08621	28.5
186.06755	0.7
187.07600	2.1
189.09196	0.9
190.06323	0.8
191.07053	18.7
193.08649	1.8
199.11218	0.8
201.09138	2.7
203.07042	1.2
203.10684	1.1
205.08653	4.9
205.12318	2.7
209.08124	1.6
215.10699	0.7
217.08694	1.1
217.12354	0.8
218.09448	2.6
219.10097	1.0
221.11739	1.6
227.10762	1.0
231.10223	1.0
233.11752	69.2
234.12100	0.8
235.09598	0.9
245.11748	0.9
247.24249	3.3
249.11273	3.3
251.12833	3.3
259.13245	3.5
263.12875	1.0
265.25323	3.9
271.66568	0.6
277.14383	22.4
289.14511	0.6
295.15463	6.3
329.60925	0.7
384.55664	0.6
423.31320	0.7
505.18219	0.7
541.38544	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00321	2.5
53.03936	9.1
55.01860	8.6
55.05515	42.4
57.03435	6.3
57.07058	5.6
59.04995	2.1
59.59990	2.0
65.03931	4.6
67.05511	68.5
69.03426	4.8
69.07076	21.6
70.26408	8.2
71.04971	4.5
72.30378	2.2
77.03921	1.9
79.05497	62.8
81.03413	8.3
81.07063	71.5
83.04995	12.1
83.08613	21.1
85.06539	4.2
91.05482	66.1
93.07051	70.5
95.04974	11.2
95.08611	43.3
97.02894	3.2
97.06528	6.7
97.10174	23.2
99.00826	7.0
99.08137	2.1
103.05464	2.4
103.87274	2.3
105.06392	3.9
105.07039	44.0
107.04945	9.8
107.08606	40.5
109.02885	10.3
109.06499	7.0
109.10171	22.7
111.08075	7.8
115.05473	2.3
117.07030	22.1
119.08578	34.4
121.06517	5.0
121.10138	24.8
123.08076	5.3
123.11707	7.1
125.09657	13.9
128.06232	2.9
129.07024	11.0
131.08580	33.0
133.06493	5.5
133.10143	37.8
135.08028	4.1
135.11681	19.8
141.06960	5.2
143.08572	12.2
145.10126	24.3
147.08076	3.7
147.11685	13.9
149.09627	5.1
149.13261	8.8
151.11211	8.2
155.08524	5.2
157.10139	12.9
159.08083	4.1
159.11707	15.9
161.09624	15.7
161.13275	8.6
163.11235	7.0
163.14828	3.2
169.10139	5.9
171.08076	4.8
171.10342	3.9
171.11736	9.1
173.09622	4.0
173.11983	2.2
173.13248	10.9
175.11258	2.8
175.14842	5.2
177.12645	3.2
179.10645	6.5
183.11696	8.3
185.09554	2.6
185.11409	2.1
185.13292	7.6
185.71461	2.4
187.14777	4.7
189.09161	6.7
189.11252	6.6
195.11690	4.9
197.13310	3.0
199.14825	2.2
209.13316	2.9
211.14876	3.2
225.11234	7.5
227.12856	7.1
243.12192	3.0
259.20605	5.8
261.22086	10.9
271.20569	3.0
273.18637	3.2
277.21695	7.7
281.13788	10.2
283.15344	2.8
287.23587	5.4
291.19754	4.9
297.22189	2.9
299.20132	3.0
301.21667	2.5
313.21616	4.7
315.23190	23.4
333.24265	2.9
335.25244	2.3
421.30820	11.2
431.29825	3.8
439.32031	6.0
449.30707	13.1
457.33173	5.3
467.31635	25.1
485.32587	17.7
495.34409	3.5
513.35950	20.1
515.37506	3.5
523.33984	4.3
531.37122	13.8
541.35260	55.3
559.27454	5.0
559.36279	100.0
560.35968	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	559.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.7
55.01869	9.6
55.05516	40.7
57.03440	4.5
57.07073	4.3
59.05001	2.3
65.03940	4.1
67.05514	76.1
69.03442	4.6
69.07075	24.6
71.05006	4.6
77.03893	2.7
79.05501	67.7
81.03422	7.6
81.07066	69.9
83.04976	9.2
83.08636	20.4
85.06540	4.6
91.05486	63.9
93.07053	69.9
93.07641	3.8
95.04977	7.2
95.08057	4.3
95.08619	48.0
96.78909	2.8
97.02867	3.0
97.06539	7.8
97.10183	20.5
99.00832	6.9
103.05466	2.6
105.04534	3.7
105.07040	51.2
107.04977	12.1
107.08588	37.9
109.02862	16.1
109.06525	5.0
109.10164	23.0
111.04449	3.6
111.08090	8.2
115.05477	3.7
115.06328	2.4
117.07034	18.6
119.08595	36.1
121.06541	6.4
121.10148	30.3
123.08098	5.6
123.11741	6.8
125.09653	15.2
128.06223	3.9
129.06984	13.3
131.08582	30.4
133.06528	4.5
133.10144	42.8
135.08095	5.3
135.11713	19.2
137.09639	5.3
137.13313	2.7
141.07019	4.0
142.07814	2.7
143.08571	18.6
145.10138	25.8
147.08040	3.6
147.11723	16.7
149.09631	8.0
149.13304	7.7
151.11185	11.4
153.12727	2.3
155.08571	3.9
157.10136	10.2
159.08101	3.0
159.11667	15.7
161.09627	15.0
161.13335	13.6
163.11192	6.7
163.14874	4.0
163.16148	2.4
167.08630	3.2
169.10165	6.5
171.08052	8.5
171.11705	10.0
173.13289	12.8
175.11264	4.1
175.14842	4.3
179.10684	5.6
181.09991	3.5
181.12277	3.7
183.11740	8.4
185.13326	9.3
187.11234	3.1
187.14850	7.7
189.09137	11.4
189.11284	6.1
189.12849	2.9
191.10641	3.2
195.11708	2.8
197.13341	2.9
199.14928	5.9
207.10173	4.6
209.13370	3.4
211.15039	3.4
225.11171	14.5
227.12843	12.1
241.19714	3.1
243.21239	3.0
259.20645	4.1
261.22171	12.7
275.20212	2.8
277.21686	8.9
281.13892	10.6
283.15323	3.9
287.23712	6.3
297.22034	5.4
299.14844	3.0
308.15167	2.5
315.23169	16.6
320.05191	2.6
335.25879	3.5
398.23880	2.7
398.35239	3.1
403.29733	3.2
421.30753	12.6
439.31866	3.7
449.30466	15.3
457.33069	4.7
467.31677	28.8
485.32623	17.7
495.34622	3.6
513.35822	17.7
515.37225	4.6
523.34351	4.8
531.36792	14.7
541.35156	58.9
542.36017	2.9
559.36328	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.0
55.01884	2.5
55.05519	26.1
57.03433	6.6
57.07079	4.7
61.09757	1.7
65.03944	3.7
67.05511	53.5
69.07074	21.6
69.25829	4.4
69.26236	14.0
69.56702	1.7
70.06057	1.9
71.05012	2.3
79.05502	42.7
79.81508	1.7
80.66727	1.6
81.03416	5.8
81.07062	39.2
83.04990	4.1
83.08622	13.1
85.06546	3.6
91.05486	42.6
93.07050	37.3
95.04976	6.9
95.08613	30.4
97.06522	4.5
97.10179	5.3
98.98475	5.1
103.05482	2.2
105.04588	2.5
105.07039	44.4
107.04967	5.0
107.08611	22.8
109.06544	4.5
109.10158	15.4
111.08093	2.8
115.05465	4.2
117.07014	18.8
119.08591	31.1
121.06532	2.3
121.10165	12.1
123.08054	4.5
123.11752	2.9
128.06242	5.3
129.07016	25.2
131.08575	34.1
133.10159	17.8
135.08049	3.4
135.11737	9.0
141.06969	9.3
142.07799	4.5
143.08562	26.8
145.06474	3.2
145.10146	26.6
147.08054	4.4
147.11696	17.7
149.09645	5.0
149.13281	2.8
153.06917	2.4
155.01080	5.1
155.08583	19.2
157.10165	21.3
159.08160	2.4
159.11729	20.8
161.09679	2.7
161.13280	14.4
163.11227	1.8
165.07033	2.8
167.08638	10.6
169.10132	24.5
171.08116	2.1
171.11699	27.3
173.09778	2.2
173.13248	10.0
175.14868	4.9
179.08704	2.7
181.10107	15.2
182.10986	2.0
183.11696	21.8
183.55023	2.1
185.13246	15.8
187.11255	3.4
187.14885	6.8
189.12790	4.6
189.16478	1.9
193.10138	3.9
195.11760	11.6
196.12485	2.7
197.13327	16.8
199.14830	10.3
201.12735	2.1
201.16435	5.5
207.11844	3.3
207.13840	6.7
209.13298	10.0
211.14835	8.6
213.12691	2.6
213.16418	9.4
221.13307	6.1
223.14880	7.3
225.16507	4.9
231.17363	2.4
235.14845	3.4
237.16425	4.2
241.19539	8.8
247.17012	5.7
257.19144	3.6
259.20560	15.0
277.21771	2.1
279.15952	5.2
281.17517	10.3
287.20016	2.1
293.91565	2.4
296.22882	2.0
297.22116	2.2
311.20282	2.4
321.21600	3.0
323.23688	3.8
333.24249	5.9
335.23715	4.5
339.22946	2.7
353.24857	3.0
419.33160	4.9
429.31696	8.1
434.49515	2.0
437.34167	11.7
447.32553	29.2
455.35138	2.2
465.33752	29.8
473.35892	1.9
483.34903	18.2
503.35098	3.3
521.36224	7.5
525.35181	2.0
527.37726	2.5
529.38812	8.0
537.64575	1.9
539.37384	100.0
540.37231	4.0
557.25372	3.6
557.28961	2.9
557.38416	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.6025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	18.8
57.07081	37.4
64.05882	1.6
67.05506	45.6
69.07073	35.4
70.06591	3.9
71.08633	33.4
75.21835	1.8
79.05480	7.8
81.07061	74.8
83.08622	30.7
84.47178	1.8
85.10187	19.4
88.07624	1.6
89.06026	3.9
91.05470	4.0
93.07028	5.2
95.08610	100.0
97.09635	2.5
97.10181	27.9
102.09174	1.8
104.10735	6.9
105.07045	2.6
107.08583	4.5
109.10161	65.4
111.11717	16.9
113.13297	2.2
123.11720	22.1
124.44250	1.6
125.13245	8.7
131.08574	2.6
133.08578	2.6
137.13246	13.7
139.14812	2.2
147.11682	2.6
149.13239	2.2
151.14867	7.8
165.16371	5.6
165.52753	1.6
165.67462	1.6
179.17882	2.3
179.24574	1.6
201.91679	1.7
242.70552	1.8
256.26398	3.7
257.26669	2.1
283.26276	6.9
284.26419	2.9
291.30441	3.5
301.29254	2.4
305.32208	2.8
333.35126	2.4
347.36844	2.1
361.38162	4.6
557.41687	3.4
557.53003	21.1
557.60181	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	559.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.5
55.01872	8.7
55.05513	23.7
57.03432	4.3
65.03931	5.5
67.05508	45.4
69.03436	7.0
69.07065	14.1
70.29745	8.1
71.04993	27.3
79.05505	52.1
81.03422	16.4
81.07063	40.1
83.01331	3.8
83.04977	9.5
83.08614	10.7
85.01130	5.6
91.05480	63.4
93.07049	47.3
95.04969	15.0
95.08614	37.3
97.02908	6.2
97.06516	4.1
97.10203	7.6
98.21422	4.2
103.05463	9.7
105.07037	59.0
107.04963	12.3
107.08606	38.4
109.02850	4.9
109.06551	8.4
109.10150	13.3
115.05494	13.9
117.07016	40.3
119.04916	3.7
119.08582	44.3
121.06512	10.7
121.10130	13.7
123.04495	5.1
125.09641	11.4
127.11189	56.8
128.06223	40.6
129.07022	49.5
130.07755	5.8
131.08591	40.5
133.06494	9.3
133.10120	15.0
135.08026	5.1
135.11681	20.8
137.06012	4.7
141.07001	37.8
142.07794	9.0
143.08574	70.1
145.06493	14.4
145.10144	43.2
146.07231	4.3
147.04413	4.5
147.08040	12.6
147.11676	10.8
149.06036	6.8
149.09657	7.8
149.13197	4.0
150.06740	4.0
151.07559	6.9
152.06255	5.6
153.07008	12.2
154.07750	47.2
155.05925	5.3
155.08536	23.2
156.09349	12.7
157.06480	4.5
157.10106	17.6
158.07185	4.6
159.08087	20.3
159.11691	18.6
160.08817	5.7
161.06000	20.9
161.09604	12.2
161.13261	8.1
162.06746	6.9
163.07495	5.4
163.11191	25.0
165.07018	7.0
166.07738	4.7
167.08578	26.6
168.09305	10.0
169.03217	11.7
169.06401	5.3
169.10126	100.0
171.08052	27.4
171.11690	32.1
173.06033	6.0
173.09647	11.7
173.13278	9.7
175.07504	18.2
176.08304	5.0
177.09079	9.5
178.07916	4.1
179.08553	10.1
181.10138	5.4
182.07278	6.6
183.04781	11.4
183.11636	4.0
185.09607	8.5
185.13312	4.1
187.07562	17.7
187.11145	15.6
189.09128	13.8
193.03275	5.3
193.06779	3.3
195.04800	9.1
195.08032	4.9
196.60887	3.5
197.09628	53.9
197.13351	3.6
199.07561	9.1
199.11237	11.1
201.07320	7.5
201.09045	5.7
203.08940	4.0
203.10652	4.6
207.04843	15.4
209.06393	5.5
211.11261	3.6
213.09103	37.4
214.09888	4.4
215.10703	90.3
217.12306	11.3
225.09128	23.3
227.10735	5.8
227.12752	33.7
229.12233	13.6
230.12955	7.3
231.13875	9.8
241.08612	10.1
241.19550	9.3
243.04855	4.6
243.10178	69.2
245.06277	7.5
247.07828	8.7
247.13322	5.4
257.06107	4.0
257.19363	3.2
257.42749	3.2
259.09802	4.1
259.20590	22.9
261.11246	14.9
263.10995	32.1
267.15976	6.0
273.05685	5.0
275.07434	4.3
275.10919	4.1
275.20068	7.9
281.12082	9.8
283.15387	16.1
291.19592	4.3
293.11957	22.2
315.22971	5.7
333.24268	16.4
338.47369	3.9
343.13763	5.7
347.42480	4.0
389.14117	5.9
390.18112	5.4
391.19043	4.1
449.21643	6.6
467.14758	4.7
467.31384	4.2
477.21060	10.8
495.22076	18.4
505.20227	10.2
513.22778	5.9
523.21655	20.3
541.22870	20.3
541.35004	19.7
559.23767	14.4
559.36163	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	558.255
Annotation	Unknow
Peak:m/z	Relative Intensity
64.77706	3.3
67.38031	2.8
70.82167	7.7
79.05444	4.8
85.02894	4.4
91.05495	25.7
95.04978	5.1
103.05464	13.6
105.07030	10.1
107.04960	29.7
114.31689	4.0
119.04935	15.1
119.54737	3.5
121.06541	8.0
122.03600	5.9
127.03986	4.0
129.06996	7.7
131.04929	20.2
131.14984	3.4
133.06477	8.4
135.08044	13.4
137.05981	89.7
145.06447	4.2
147.04417	14.2
148.05206	3.9
149.05986	11.6
151.07565	49.1
161.05981	100.0
161.09601	24.6
162.06776	9.0
163.07562	51.3
174.06822	4.4
175.07584	8.8
177.09135	5.2
179.07048	6.5
181.08565	11.6
189.09123	58.1
195.08040	9.1
200.27771	3.3
207.10194	94.8
219.10211	9.8
221.05777	3.8
221.09644	5.2
227.10757	9.1
253.08649	6.1
253.12311	7.7
255.10149	8.9
285.11224	13.0
287.12909	29.0
297.11273	6.6
299.12781	8.7
311.12778	11.6
313.14438	32.8
327.89151	3.7
331.15424	73.5
343.15344	4.0
365.82117	3.6
405.38150	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.8
55.01885	5.3
55.05519	26.1
57.03439	8.4
57.07084	4.5
65.03938	3.6
65.44174	1.9
67.05508	53.6
69.03428	4.0
69.07072	23.0
71.04991	5.6
71.08622	4.5
79.05499	44.5
81.03427	7.0
81.07065	45.5
83.04977	6.7
83.08623	15.5
85.06529	3.1
91.05492	54.8
93.07052	48.0
93.07640	3.0
95.04992	9.2
95.08621	41.5
97.06550	5.7
97.10160	4.3
98.98481	10.5
105.07050	37.6
107.04949	6.8
107.08605	29.1
109.06513	3.6
109.10168	19.5
115.05453	4.1
117.07014	23.2
119.08595	38.4
121.10147	15.9
123.08076	4.5
123.11674	3.9
125.09669	2.4
128.06281	3.8
129.07001	24.0
131.08577	38.0
133.10136	29.0
135.08122	5.5
135.11707	10.8
137.09586	2.3
141.07019	7.7
142.07791	5.3
143.08566	22.6
145.06564	2.6
145.10136	35.3
147.07991	3.1
147.11696	21.8
149.09607	3.0
149.13301	5.8
154.07811	3.6
155.01044	7.3
155.08585	23.5
156.09410	2.9
157.01520	3.7
157.10165	24.4
159.08095	3.8
159.11687	19.8
161.05969	2.4
161.09651	3.8
161.13261	10.7
163.11249	3.5
167.08591	9.2
168.09407	4.1
169.10156	24.5
170.10822	4.0
171.08040	2.8
171.11694	30.3
173.13290	12.8
175.11243	3.8
175.14868	4.9
177.12854	2.6
178.01770	2.2
179.08542	3.8
181.10147	15.4
183.11702	19.3
185.09639	2.8
185.13313	16.6
187.11176	2.9
187.14868	7.0
188.32872	2.4
189.12823	4.7
193.10194	4.0
195.11719	13.5
197.13278	15.5
199.14854	10.2
201.16388	3.7
207.11761	6.2
207.13776	5.8
209.13324	8.9
211.14839	10.1
213.16502	12.5
219.11809	2.8
221.13246	2.7
223.14938	5.4
227.12834	3.7
235.14825	3.4
237.16417	4.5
239.18018	2.8
241.19597	10.5
247.14832	2.8
247.17073	3.2
257.19034	4.5
259.20517	14.9
279.15958	5.3
281.17596	9.2
311.19958	2.4
315.27872	3.4
321.21671	2.7
323.23694	2.4
333.24292	4.6
335.23621	4.4
337.25162	3.1
353.24887	4.3
370.37302	2.4
419.33218	4.7
429.31659	6.6
437.34164	11.9
447.32675	26.7
465.33698	28.8
483.34863	21.4
501.35828	2.5
521.35968	8.1
529.38916	8.3
539.37415	100.0
557.38782	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
62.52470	0.9
70.36362	1.0
70.67789	2.8
73.99065	0.9
79.05489	1.0
85.02910	1.7
87.03844	1.0
89.66685	0.9
91.05481	4.2
94.04171	2.2
94.65127	0.9
95.04973	1.1
97.02906	1.1
100.58993	1.1
103.05468	7.7
115.05467	3.1
117.07073	1.3
118.55721	0.9
119.04913	3.3
122.03648	5.3
125.05976	1.2
126.37744	0.8
128.06230	4.1
129.07022	17.3
131.04926	19.6
133.06511	1.2
137.05992	100.0
143.04938	2.8
144.05652	2.3
145.06508	1.9
147.08080	1.1
149.05983	1.2
151.07567	2.7
153.05461	6.3
156.14137	1.1
157.06494	17.2
158.07423	1.0
160.05212	7.7
161.05998	8.0
163.07533	9.6
165.05579	1.3
172.05174	3.8
174.06802	6.5
175.07564	36.4
177.05482	1.3
177.09137	1.5
179.07086	2.8
183.77603	1.0
185.05969	1.2
187.07567	38.2
189.09125	31.9
191.08601	1.0
199.07581	2.3
203.08652	2.6
205.08601	5.2
207.10115	2.7
211.07539	1.2
217.08641	9.1
219.08099	3.4
231.08047	3.7
235.09657	1.7
239.07005	1.1
240.07829	1.1
247.07541	2.9
248.08383	3.4
251.10725	2.2
259.07568	1.6
263.10767	4.7
263.52734	1.0
264.07874	1.4
265.08490	2.4
270.08862	3.9
271.09726	3.8
276.07910	2.4
279.10132	5.9
283.09607	1.9
291.10175	10.3
296.10516	2.6
311.12842	16.3
323.12820	16.7
329.13718	1.6
341.13843	27.8
359.14932	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46079	0.9
53.03944	1.4
55.01879	1.2
55.05519	10.4
57.03444	6.1
57.06800	1.8
57.07080	34.3
58.06585	1.6
60.08182	1.3
66.68981	0.9
67.05511	15.2
67.05849	1.9
69.07079	9.9
70.06599	14.3
70.10294	4.4
70.16784	1.1
71.08639	19.3
73.02915	3.2
73.06595	1.2
78.45740	1.1
79.05489	14.3
81.07053	15.8
83.04967	2.8
83.08623	11.3
84.08125	1.3
85.10189	12.6
86.09682	2.2
88.07658	6.5
89.06043	12.9
91.05487	4.2
93.07054	24.1
95.04976	2.9
95.08614	34.2
97.02906	2.4
97.06516	1.9
97.10178	4.2
99.04472	2.5
102.09196	4.9
102.66319	1.1
104.10729	8.6
105.07048	5.3
107.04964	4.6
107.08601	16.1
109.06562	2.0
109.10178	4.4
111.11643	1.4
111.30421	1.2
117.07064	5.8
119.08591	4.5
121.06521	3.2
121.10116	6.8
123.11727	2.8
131.08681	1.3
132.10228	4.5
133.08611	5.3
133.10179	1.8
135.11697	27.2
137.13263	1.4
141.19624	1.0
145.10143	15.5
146.11806	5.7
163.11186	31.5
177.11273	2.8
181.12221	5.9
212.23773	2.2
227.12788	52.1
228.23221	1.6
256.26328	13.3
272.25778	1.6
283.15414	31.2
283.26364	39.6
300.28961	21.2
308.68341	1.3
311.26196	1.1
311.29575	4.2
313.27374	56.6
351.61157	1.2
371.22974	3.2
406.16281	1.3
463.64532	1.3
494.49023	1.1
521.38422	62.0
556.53033	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	3.3
69.33102	25.2
70.06618	3.1
82.99839	3.4
96.49863	2.8
97.02892	5.6
98.97578	7.7
100.08027	2.7
101.00886	30.9
105.61923	2.8
109.01354	3.0
113.00880	7.3
116.98630	4.0
119.01928	58.2
127.02409	11.8
128.41870	3.4
128.98660	4.0
131.01921	26.9
133.03568	3.3
137.02968	7.5
137.06006	3.9
142.46992	2.7
143.01918	40.6
145.03477	64.9
155.01888	24.6
157.03477	10.1
159.05028	19.7
161.02954	39.5
163.04430	4.9
167.01901	13.8
169.03488	50.1
171.01367	4.6
171.05028	13.2
173.02994	36.5
179.01956	4.0
181.03481	7.3
185.02982	56.8
186.03177	3.2
187.04532	79.9
189.02441	13.2
197.03011	20.1
199.04506	13.3
201.02446	4.8
203.02356	3.9
203.03969	16.4
209.92505	3.1
211.04503	10.5
213.02428	15.5
213.06036	4.6
215.00368	4.1
215.04062	12.9
219.61008	3.2
221.02974	25.5
221.05093	7.7
225.02348	3.6
227.03995	12.1
229.05566	7.4
231.03532	23.4
233.05309	3.3
239.04074	7.2
243.03561	4.0
245.05069	100.0
246.05276	4.2
247.04971	3.6
255.03575	7.3
257.01440	6.3
257.05090	6.8
263.06198	12.8
271.06662	19.0
273.04636	7.4
275.02502	57.2
275.06131	29.9
287.02283	15.9
293.03568	11.9
293.06741	4.4
297.04514	4.0
305.03561	17.1
305.07220	12.0
315.05435	9.0
333.06607	3.1
335.04663	19.6
335.08179	4.9
341.03610	4.6
347.06113	5.3
359.04630	19.5
365.05283	5.0
365.09491	6.6
377.05624	52.4
383.08292	6.1
395.06735	54.8
395.11499	5.1
493.26285	3.1
538.14795	3.6
539.10547	5.8
557.11682	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	556.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.01873	7.5
65.78505	3.3
69.48376	16.7
73.96912	3.1
74.41685	2.8
79.05475	5.5
86.09724	3.2
91.05489	39.6
93.82133	3.5
103.05480	16.1
103.36732	3.0
105.03375	8.6
105.07015	13.0
107.04971	6.2
109.02879	3.2
109.06517	7.3
115.47734	3.1
119.04945	52.9
122.03657	6.1
123.08003	4.3
127.03913	3.9
131.04947	27.0
133.06477	11.1
135.08055	3.4
137.05992	100.0
147.04416	18.9
149.05991	8.5
151.07538	21.5
159.08116	3.3
161.06004	35.6
162.06752	8.5
163.07597	16.2
175.07545	24.1
179.07037	28.2
187.07536	12.5
191.08653	2.8
193.08644	8.9
205.08585	14.1
219.08012	3.5
231.07988	3.1
238.18446	2.8
247.07317	3.5
251.10629	4.6
279.10196	8.1
291.10321	7.9
309.11209	17.9
311.12802	9.9
341.14224	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	556.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01875	2.8
64.03286	1.5
64.13541	1.5
65.03932	3.4
69.03415	4.0
70.06589	6.0
71.04971	3.8
79.05480	3.7
85.02914	8.6
86.09675	1.8
91.05486	24.6
95.04981	2.1
103.05481	35.7
105.03391	5.1
105.07041	16.5
105.44140	1.6
107.04935	2.2
109.02887	2.2
109.06531	5.7
111.04465	1.8
115.05467	3.4
119.04957	27.1
121.06522	3.6
122.03606	4.2
123.08073	2.2
128.06203	1.8
129.07014	8.9
131.04939	88.6
132.71631	1.7
133.02849	4.2
133.06520	14.9
135.04376	2.1
137.05991	100.0
143.04869	2.3
147.04408	13.3
147.08093	2.0
149.05986	5.2
151.07585	15.1
157.06517	6.8
160.05225	3.2
161.06004	51.7
162.06723	3.4
163.07570	43.2
165.05460	3.0
172.05203	2.6
174.06830	2.7
174.92171	1.7
175.07549	25.6
179.07013	13.0
187.07538	21.9
189.09129	14.1
191.08519	3.1
193.08607	2.9
203.08539	3.4
205.08574	8.3
207.10228	2.0
209.83028	1.8
217.08607	7.0
219.08130	2.8
220.08913	1.7
231.07872	2.0
235.09615	2.1
247.07574	2.9
248.08214	2.1
248.26854	1.6
251.10681	4.6
263.10703	2.7
270.08829	1.8
279.10190	4.6
281.07803	1.9
291.10181	6.7
309.11255	6.3
311.12805	19.9
323.12738	10.5
329.13751	2.9
341.13919	15.2
359.14807	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	556.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	1.8
70.01867	2.1
70.02258	2.6
78.27213	1.1
79.05483	1.8
85.02896	4.3
89.03945	1.2
91.05488	2.1
91.10458	1.3
93.03415	2.2
94.04209	2.9
97.02905	1.9
98.20781	1.4
103.05486	6.4
109.06487	2.0
111.63053	1.1
115.05475	2.9
117.07039	1.3
119.04938	2.6
122.03683	5.8
125.06023	3.2
128.06242	4.6
129.02516	1.1
129.07021	18.0
131.04941	19.1
137.05988	100.0
143.04953	2.7
144.05734	2.3
145.06567	1.6
147.04372	1.3
147.08069	1.5
151.03929	1.3
151.07535	1.7
153.05508	5.4
157.06500	18.9
160.05177	6.6
161.05995	5.2
161.57034	1.2
163.07567	8.6
172.05161	1.8
174.06808	7.2
175.07555	37.4
177.09100	2.0
187.07565	32.8
189.09134	28.9
191.08534	1.4
199.07559	1.4
203.08591	2.6
205.08597	3.6
207.10170	2.6
217.08594	9.6
219.08127	2.5
231.08089	3.3
247.07581	3.9
248.08372	2.3
251.10750	3.6
255.06673	2.5
260.69467	1.3
263.10706	4.8
270.08835	5.6
271.09619	4.2
276.08054	1.5
279.10165	5.4
283.09784	3.1
291.10217	8.6
296.10504	2.6
311.12845	18.0
323.12842	17.4
341.13837	26.0
359.15106	1.5
524.20203	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.4
55.05521	1.4
58.99578	1.7
60.27621	1.0
62.97020	1.0
66.53091	1.1
69.01931	1.0
69.03445	1.1
69.07076	1.8
70.84644	1.9
74.00668	3.0
76.02241	4.9
76.03996	1.4
79.05475	1.5
81.07059	2.5
83.04999	1.9
83.06107	2.8
84.04517	16.9
85.04016	4.6
90.03815	2.5
91.05479	2.1
92.01696	2.4
95.08595	1.6
99.05585	1.7
101.00626	1.8
109.10165	2.5
112.03959	6.2
113.03455	1.9
116.01701	1.8
119.04917	1.5
129.06621	3.7
130.05017	33.4
131.04553	4.3
133.10085	1.4
137.05983	1.8
145.06152	1.8
147.04443	11.8
148.05191	1.7
153.03616	1.2
153.06676	1.1
159.08022	3.0
161.06006	1.9
161.09621	2.5
162.02248	2.0
169.03169	2.0
173.06029	5.2
173.09523	1.7
174.06775	8.2
175.05879	1.3
175.07526	4.6
177.03281	14.4
179.04933	4.7
179.17296	1.1
181.03162	3.2
181.06058	2.4
187.07521	6.5
188.08282	6.3
189.09103	5.4
201.09166	1.7
201.12784	2.6
202.09932	1.5
203.05193	1.2
203.14381	1.5
206.06335	3.5
207.04758	16.3
212.11948	1.5
215.10739	3.3
217.10457	1.8
217.12323	2.8
221.06375	6.4
224.07335	2.6
229.12192	3.3
230.13066	8.3
231.04408	2.2
231.13818	31.3
232.14548	6.2
233.06393	1.5
245.09984	3.1
256.14575	2.6
261.13184	2.4
263.11041	100.0
264.11386	1.3
289.12616	10.0
306.15225	4.1
327.10010	9.1
381.11304	1.5
409.17975	7.5
463.19025	6.0
538.22205	3.1
544.25421	1.1
556.23584	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
69.78120	16.0
70.06580	4.9
79.05511	6.0
85.02894	7.4
91.05480	29.9
94.04150	3.3
95.04999	3.6
98.20352	2.9
98.21615	3.4
100.78965	3.0
103.05478	38.0
105.03430	7.1
105.07038	26.5
107.04925	4.5
109.06506	8.5
115.05451	5.7
119.04949	43.3
122.03718	3.3
122.22337	2.8
123.08037	4.5
127.03850	3.9
129.07018	6.6
131.04936	100.0
131.18108	2.6
133.02866	8.0
133.06473	25.8
134.34622	3.0
137.05981	92.8
147.04387	21.5
147.08066	3.6
149.06024	5.4
150.56393	3.2
151.07599	23.5
157.06496	2.9
161.05997	80.8
162.06749	8.1
163.07539	54.0
165.05510	5.4
172.05229	3.6
175.07562	25.3
177.09015	3.1
179.07048	26.7
185.91466	3.0
187.07581	17.4
189.09096	8.5
193.08702	3.7
205.08600	14.1
217.08588	4.8
219.08061	6.4
251.10825	4.7
259.07571	3.4
270.86047	2.9
279.10040	6.9
291.10022	6.9
296.10492	4.4
309.11264	5.4
311.12827	15.4
323.12820	9.2
341.13666	13.5
446.34604	3.3
537.75427	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	556.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01628	2.1
55.01874	27.5
55.05518	6.6
58.40036	1.4
58.84162	1.6
58.99583	1.9
67.05497	1.5
69.03430	3.5
69.07045	5.5
70.68446	3.3
71.04997	21.5
74.00662	5.3
76.02221	4.1
76.04010	3.3
79.05472	2.0
81.07045	2.5
83.06100	9.0
84.04507	43.3
85.04022	6.8
91.05489	2.3
92.01687	3.8
95.08614	1.8
96.08134	1.8
97.10163	6.9
99.05584	3.8
102.00160	1.4
105.06986	2.1
107.08600	7.8
108.08152	2.2
109.06540	2.4
109.07641	1.5
109.10133	3.5
110.09686	3.1
112.03964	22.5
113.03480	2.8
117.06971	1.5
120.08086	2.1
123.08066	1.7
125.09608	3.5
127.10307	2.4
127.11198	35.9
129.06584	11.5
130.05013	100.0
131.04544	7.7
131.08560	1.5
136.07553	1.7
137.05942	2.4
138.09134	4.5
143.08543	1.9
145.06226	2.5
147.04425	8.0
147.07739	1.8
149.06023	1.8
150.06763	3.1
151.07552	1.8
153.03682	1.9
153.06662	1.5
155.08173	2.0
159.08057	3.3
161.05977	10.8
161.09572	2.3
162.02249	2.5
162.06734	4.6
166.08626	6.3
169.03197	20.3
172.03996	3.3
173.05975	2.9
173.09621	1.8
174.06758	6.1
175.05974	1.9
175.07529	9.6
176.08376	8.9
177.03311	23.2
179.04951	3.9
181.03169	6.9
181.06026	2.0
183.04774	16.3
187.07542	6.3
188.08369	7.7
189.09138	4.8
191.05341	1.8
193.03214	2.7
195.04753	13.4
197.06358	2.2
199.07143	2.3
203.05240	1.7
203.10640	1.7
204.06548	3.9
206.06416	2.7
207.04759	27.3
209.06334	15.6
212.12029	1.7
215.10695	4.7
221.06268	6.3
223.07838	1.5
229.12209	2.3
230.13017	10.7
231.13847	22.1
232.14476	3.9
233.06131	3.5
245.09975	5.6
253.12450	1.9
263.11032	97.0
264.11292	2.1
279.14142	10.4
281.12054	28.2
283.10846	1.7
289.12573	6.7
293.09299	1.6
306.15213	3.2
307.10333	1.9
307.13632	27.5
307.17123	1.7
311.10040	1.5
321.08517	1.8
324.16275	2.4
325.11942	2.2
327.10043	7.0
339.09836	2.0
353.11432	3.1
359.12137	3.1
392.15302	8.7
396.93146	1.6
409.17969	42.3
427.19006	29.9
463.18951	6.8
464.17844	2.4
467.97668	1.6
481.20029	35.1
482.20154	1.6
492.17404	3.9
506.19141	1.8
524.20490	2.5
538.21979	6.2
556.22833	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	555.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.7
53.03947	6.7
53.43171	1.4
55.01879	1.9
55.05513	18.9
57.03428	1.7
57.07072	3.0
65.03943	5.0
67.05506	69.0
69.03432	1.8
69.07072	22.8
69.20480	12.0
71.04991	15.1
77.03923	3.0
79.05495	65.5
81.03397	2.8
81.07058	72.0
83.04984	10.9
83.08627	11.4
85.02926	6.3
85.06544	2.3
87.04457	1.3
91.04906	2.8
91.05483	63.0
93.07049	73.2
95.04975	49.1
95.08611	45.3
97.06538	13.5
97.10171	1.7
97.45914	1.1
98.20793	2.4
98.55190	1.2
103.05462	1.4
105.04514	4.2
105.07038	42.8
107.04958	31.3
107.07880	1.7
107.08601	30.5
109.06532	7.8
109.10156	18.1
111.04446	9.1
111.08086	4.1
113.09688	1.8
117.07030	18.5
119.08592	32.2
121.06487	7.8
121.10157	21.2
123.08103	3.9
123.11697	2.9
128.06221	3.8
129.07027	9.8
129.30452	1.4
131.08588	10.4
133.06517	13.5
133.10129	18.7
135.08061	2.3
135.11702	12.5
137.09628	4.2
143.08568	14.7
145.10147	10.5
147.08035	2.3
147.11703	5.2
149.13324	3.5
157.10155	5.1
159.11684	12.7
161.09671	1.6
161.13268	14.0
163.11182	12.4
173.13231	2.3
175.11211	2.2
175.14821	6.2
177.11203	1.8
177.12674	9.2
179.14317	46.8
185.13290	15.9
185.18478	1.4
187.14857	1.5
203.14339	12.3
221.15375	100.0
239.16437	4.6
261.22101	2.6
295.19049	2.3
555.40442	62.1
556.41669	1.5
557.69220	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81201	2.0
53.03946	11.7
55.01868	10.2
55.05508	10.5
57.03435	6.1
57.07093	3.4
61.02924	4.8
61.70238	2.0
67.05504	19.3
67.84589	2.2
69.00232	2.1
69.03433	40.4
69.07066	24.6
71.04999	8.0
71.51382	3.7
73.02928	2.6
79.05499	13.8
81.03426	32.7
81.07058	86.2
83.04980	4.9
83.08624	3.4
85.02911	59.1
85.06545	5.6
87.00826	21.0
91.05475	15.8
93.07050	44.1
95.04972	7.2
95.08613	24.1
97.02885	19.4
97.06535	10.5
97.10191	5.3
99.04455	12.3
105.01868	14.4
105.07030	21.3
107.08604	48.4
109.02882	31.8
109.06526	9.5
109.10168	23.4
111.08080	26.5
111.11712	4.3
117.01891	4.1
119.08609	9.5
121.06457	2.8
121.10165	12.1
123.08060	3.0
123.11699	26.9
127.03912	47.5
128.75485	2.2
129.01868	4.4
133.10146	29.8
135.11684	6.6
137.05986	6.9
137.13269	7.7
139.03223	2.1
139.11183	19.6
141.06938	2.8
145.04987	13.4
145.10121	4.9
147.11679	7.0
149.13261	7.9
151.09969	5.2
151.11192	100.0
153.12775	4.4
159.02856	16.7
159.11737	5.1
161.13295	4.5
163.07593	2.6
163.14853	6.4
165.09137	2.2
165.12741	12.1
169.12250	16.8
173.13290	3.7
175.14839	3.5
177.16405	6.4
181.15886	4.4
187.14943	4.4
189.16429	3.0
189.61453	2.2
191.17999	3.3
205.15915	3.7
207.17470	3.7
213.04002	2.1
215.18021	6.6
231.05008	10.9
243.10257	4.5
271.24127	12.3
277.25238	6.3
289.25287	50.0
307.26309	59.4
530.21851	2.4
537.30688	4.6
544.90546	2.7
555.18677	3.8
555.31915	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	555.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	11.1
55.01888	10.3
55.05511	19.5
57.03435	5.1
57.07077	4.6
59.04988	2.9
61.02915	4.7
65.03950	2.0
66.38601	1.7
67.05515	20.1
68.99773	5.5
69.03084	3.4
69.03432	41.6
69.06496	2.4
69.07070	89.4
69.16609	8.3
69.17031	13.0
71.04979	7.6
73.02906	5.5
79.05499	20.3
81.03419	39.5
81.07057	100.0
83.04983	9.2
83.08610	8.1
85.02907	70.1
85.06544	3.4
87.00827	25.4
91.05477	15.3
93.07046	62.4
95.04959	8.9
95.08614	37.2
96.26785	1.7
97.02891	24.1
97.06529	14.0
97.10165	8.4
99.04449	13.3
105.01859	12.2
105.07036	22.9
107.05025	2.6
107.08604	50.8
109.02871	28.7
109.06553	11.8
109.10166	36.5
111.08087	22.7
111.11725	24.0
117.01859	4.8
117.06962	2.3
119.08552	12.6
121.10145	23.7
123.04504	2.1
123.08062	4.0
123.11710	40.9
125.09613	3.0
127.03931	45.1
129.01819	5.7
131.08586	4.4
133.10144	28.3
135.08096	3.0
135.11688	10.2
135.88521	2.6
137.05992	5.4
137.13235	9.5
139.11183	40.9
139.12213	3.7
143.08580	2.2
145.04967	15.1
145.10123	4.4
147.02901	3.0
147.11684	9.4
149.13245	13.0
151.11188	91.5
153.12752	2.9
153.44614	1.8
155.08504	3.0
157.10103	2.5
159.02901	19.3
159.11705	8.6
161.13260	7.6
163.11241	2.3
163.14795	5.9
165.12720	11.3
169.12267	14.7
173.13272	4.9
175.14880	9.8
177.12740	2.2
177.16370	8.0
182.00832	2.2
187.14807	4.6
189.16292	2.8
191.17949	2.2
193.12198	2.0
203.17827	2.7
205.15923	4.6
207.17397	5.6
213.03995	2.7
215.17970	8.0
231.05026	7.6
245.22678	3.6
271.24203	13.1
277.25232	10.1
289.22018	3.2
289.25266	58.1
307.26315	49.2
370.21082	1.9
462.15579	1.9
465.23224	2.1
471.53714	1.9
494.10776	2.1
508.79852	2.4
537.30511	2.8
555.31750	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	555.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	11.6
55.01882	9.9
55.05513	23.7
57.03423	8.0
57.07064	4.4
61.02946	4.0
67.05519	24.3
68.13513	1.9
68.99780	5.2
69.03086	3.5
69.03434	39.8
69.07076	96.2
70.06577	1.9
71.04984	6.4
71.49996	2.7
73.02922	5.1
75.17035	2.0
79.05502	19.0
81.03423	38.2
81.07063	100.0
83.04993	13.8
83.08624	8.8
85.02913	63.8
85.06561	4.1
87.00844	27.8
87.04478	2.1
91.05495	16.0
93.07053	57.6
95.04963	10.3
95.08614	40.1
97.02905	19.7
97.06527	16.9
97.10161	4.7
99.04433	10.8
105.01859	9.0
105.07044	26.7
107.04944	3.6
107.08604	48.9
109.02892	32.0
109.06533	9.4
109.10177	33.7
111.08087	21.4
111.11744	26.2
115.03956	1.9
117.01844	4.3
119.08589	13.6
121.06497	3.6
121.10151	23.1
123.08122	3.5
123.11724	32.1
124.22077	1.9
125.09621	3.0
127.03926	46.1
127.11217	2.0
129.01828	4.8
129.06972	2.3
131.08548	7.5
133.06508	2.2
133.10123	31.2
135.08015	3.4
135.11697	9.5
137.05975	4.1
137.09641	2.5
137.13240	8.1
139.11195	44.0
143.08551	3.2
145.04976	13.9
145.10123	6.7
147.02942	3.1
147.11717	12.7
149.09610	3.0
149.13280	16.1
151.11194	82.1
153.12717	3.3
159.02888	14.2
159.11728	7.6
161.13280	8.5
163.07611	3.7
163.11253	3.0
163.14851	7.2
165.12787	13.1
167.14287	2.2
169.12288	13.4
171.11697	2.1
173.13284	5.4
175.14851	8.4
177.12782	3.8
177.16377	6.3
181.15973	2.7
183.11652	2.5
187.14815	4.2
189.04077	2.6
189.16415	5.2
201.16371	2.3
203.17972	4.0
205.15929	3.3
207.17294	4.3
215.17969	4.7
217.19568	2.1
229.19601	2.4
231.04887	9.6
243.17595	2.3
245.22598	3.0
259.13211	2.0
271.24152	14.0
277.25217	6.8
289.25305	58.3
307.26331	49.4
364.35059	2.3
511.32590	2.8
555.32123	11.8
565.68176	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	555.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.4
55.01868	2.5
55.05516	75.9
65.03946	2.3
67.01863	1.5
67.05509	11.8
69.03422	4.0
69.07069	5.4
70.21567	1.8
70.21954	2.0
71.04990	1.5
79.05499	13.0
81.03412	1.3
81.07064	19.3
83.04989	100.0
83.08601	2.7
84.05341	1.1
85.06555	1.1
91.05489	15.8
93.03397	1.8
93.07048	10.7
95.04980	8.3
95.08614	15.3
97.06545	3.4
97.10149	1.4
103.05470	1.3
105.07034	15.8
107.04950	3.1
107.08594	6.1
109.02886	1.9
109.06518	4.8
109.10144	1.4
113.35814	1.0
115.05444	4.0
116.06183	1.1
117.07038	8.4
119.04916	1.2
119.08582	9.2
121.02857	3.1
121.06511	2.6
121.10143	2.5
123.08073	1.3
125.14872	1.0
128.06219	6.9
129.07033	8.6
131.04918	2.1
131.08571	7.0
133.06479	4.8
133.10132	4.3
135.04358	1.3
135.08046	1.8
135.11681	2.2
137.05971	1.6
137.13353	1.1
141.06989	6.9
142.07787	10.6
143.08572	8.2
145.06482	6.4
145.10103	3.5
147.04367	1.1
147.08055	3.7
147.11635	1.3
148.03922	0.9
149.05978	4.1
152.06226	5.8
153.06984	3.7
154.07762	5.6
155.08580	5.9
157.06485	3.5
157.10117	5.7
158.07306	1.4
159.04419	3.0
159.08134	4.9
159.11700	2.9
161.05980	10.2
161.09648	2.5
161.13252	4.2
163.03926	1.1
165.05656	1.6
165.06908	4.9
166.07773	2.9
167.08607	11.3
169.06433	1.7
169.10127	8.9
170.07275	2.4
171.08063	4.8
171.11652	1.8
172.08824	1.4
173.05923	1.6
173.09619	4.3
175.07527	1.8
175.11153	2.5
178.07730	1.6
179.08578	3.0
179.14275	1.7
181.10167	1.6
182.07326	2.4
183.08076	2.7
185.09630	14.4
187.07529	2.3
187.11165	2.9
189.09097	1.2
193.10141	1.9
195.08080	8.6
195.13713	1.0
197.09654	8.9
198.06709	1.9
199.07559	2.6
199.11116	1.0
201.05510	1.4
201.09132	2.8
203.06975	1.1
207.11676	1.4
213.09129	20.5
215.07014	1.5
215.10704	6.3
217.08524	1.3
223.07526	4.2
223.11052	1.3
225.09062	4.1
231.10191	1.6
241.08598	14.9
243.10158	12.7
259.09586	6.9
263.16983	0.8
265.26819	0.9
271.16901	0.9
301.18097	1.2
315.48758	0.9
341.13873	3.7
343.15463	2.0
347.20297	1.0
391.22672	2.1
419.22116	1.2
437.23190	2.8
447.22345	1.1
455.24213	3.2
555.30182	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	555.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17276	2.6
51.02376	2.7
53.03936	11.9
55.01863	10.9
55.05517	21.5
57.03438	7.7
61.02919	6.3
67.05504	24.9
68.99789	3.7
69.03434	44.6
69.07072	74.8
69.43340	8.4
69.43752	9.6
71.04999	8.6
73.02909	3.8
76.64254	2.4
79.05502	17.8
81.03421	39.1
81.07059	100.0
81.41159	2.6
83.05011	14.3
83.05427	2.8
83.08617	6.6
85.02910	66.7
85.06531	3.1
87.00832	24.9
91.05470	19.2
93.07049	47.1
95.04972	8.9
95.08609	36.2
97.02899	17.5
97.06550	13.1
97.10188	6.6
98.97561	2.4
99.04481	15.7
105.01885	14.5
105.07036	22.5
107.04855	2.9
107.08598	48.4
109.02880	32.4
109.06525	13.0
109.10152	31.8
111.08095	22.4
111.11744	18.8
117.01861	5.7
117.07030	4.5
119.08598	11.2
121.10150	22.0
123.08082	4.8
123.11713	35.8
127.03917	43.6
129.01846	4.0
131.04927	2.8
131.08595	5.5
133.10143	26.8
135.08031	6.4
135.11688	7.4
137.13278	6.1
139.11191	31.3
143.08513	3.8
145.04919	13.1
145.10136	7.2
147.11725	12.4
149.13266	10.1
151.09958	5.2
151.11194	80.3
152.47209	2.4
159.02887	13.8
159.11711	7.5
161.13280	10.0
163.11217	3.9
163.14832	5.5
165.12779	4.7
167.14345	3.6
169.12283	10.7
173.09662	2.8
173.13208	5.8
175.14822	8.7
177.09077	3.4
177.16403	8.3
181.15785	2.8
189.16393	3.5
193.15886	3.0
205.15915	5.3
207.17444	8.5
213.03914	3.6
213.08765	3.0
215.18057	5.1
231.04939	9.1
241.12151	3.8
271.24203	14.3
277.25311	7.8
289.25278	49.3
291.22943	2.7
307.26334	51.5
331.26157	2.9
519.29675	3.4
537.30090	4.4
555.19836	6.1
555.31305	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	554.5149
Annotation	2-OH-C16 :0 Ceramide
Peak:m/z	Relative Intensity
51.02379	0.3
53.03940	1.0
55.01869	0.3
55.05516	10.7
55.14975	0.3
56.05038	2.9
57.03419	0.4
57.07081	4.3
57.28421	0.3
58.06597	0.4
58.45730	0.2
60.04531	23.0
62.73696	0.3
65.03947	0.8
67.05508	17.5
68.05067	0.4
69.07071	13.5
70.06607	3.0
71.05010	0.7
71.08629	2.2
79.05496	15.0
81.07060	16.5
82.06581	1.2
83.04995	0.5
83.08627	7.9
84.08153	0.3
85.10175	1.0
86.06067	0.7
91.05473	2.5
93.07053	14.0
95.04965	0.8
95.08611	14.1
96.08133	2.4
97.06539	1.2
97.10178	4.9
100.07615	0.9
101.33646	0.3
105.04518	0.6
105.07037	0.7
107.08601	8.6
108.97811	0.3
109.10152	5.5
110.09681	0.5
111.08089	0.7
111.11710	1.2
114.09160	0.8
115.21881	0.3
116.10744	0.3
121.10152	10.7
122.29248	0.3
123.11697	1.7
124.11219	0.6
125.09598	0.4
135.11702	6.4
137.13290	0.6
149.12251	0.4
149.13208	1.8
151.14854	0.6
163.14825	0.5
165.16434	0.4
205.19682	0.3
237.22232	0.5
247.24193	3.7
252.26909	0.8
254.24826	1.1
264.26874	11.1
265.25131	0.3
266.24829	0.7
272.25882	10.0
282.27933	16.9
296.26099	0.3
300.29001	2.2
312.38589	0.3
314.26920	0.5
488.48529	0.5
518.49384	5.6
528.48328	0.3
536.50409	100.0
537.50476	1.7
554.38843	0.4
554.51440	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	554.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01874	1.0
55.05510	3.0
55.45380	0.6
57.03440	0.7
58.06606	3.0
59.05011	1.2
60.04532	5.3
65.03966	1.0
67.05505	6.1
69.03436	3.5
69.07083	2.7
70.06593	1.5
71.05037	1.6
71.50863	1.1
74.06108	0.8
79.05503	4.3
81.07069	5.7
82.06591	1.2
83.04994	2.4
84.08152	4.7
91.05492	4.4
93.07058	3.1
95.05011	1.5
95.08605	4.7
96.08151	1.9
97.06557	1.8
98.06072	1.2
105.07030	4.2
107.08605	8.1
109.06520	1.6
109.10165	5.1
109.35126	0.7
110.09687	1.8
111.08076	0.9
111.10433	0.7
119.08633	2.1
121.06517	3.1
121.10184	0.8
123.04449	1.7
123.08099	2.0
125.09668	1.4
127.11208	0.8
129.07050	1.0
131.08589	2.0
133.06572	1.1
133.10136	1.3
135.08084	4.0
137.05995	14.4
139.03915	1.1
142.07826	0.8
143.08604	2.3
143.22086	0.7
145.06580	0.9
145.10210	1.3
146.07288	0.6
147.08089	2.5
149.06050	1.5
149.09645	1.9
150.06895	1.0
151.07547	8.3
157.10139	1.4
158.07397	0.7
159.08125	2.7
159.11697	0.7
161.06010	4.5
161.09644	2.4
163.07565	8.8
167.08630	0.8
171.08064	1.2
171.11774	0.9
173.09720	1.1
173.13310	0.8
174.06877	1.0
175.07596	8.3
177.09128	5.1
183.11780	0.8
185.09846	0.8
187.07579	1.5
187.11259	0.9
188.08350	1.0
189.09113	5.8
191.10744	1.1
193.08638	1.2
195.11731	0.8
199.07556	0.7
199.11252	1.1
201.09271	1.1
201.12817	0.9
203.10686	0.8
203.14558	0.7
207.10237	1.1
209.13248	0.7
211.11240	0.8
213.09177	1.1
214.09831	0.8
215.10745	1.0
217.12346	0.9
225.12859	1.1
227.10733	1.3
229.12141	4.4
231.13814	6.0
239.10670	1.2
247.13228	0.7
248.16541	2.1
249.14951	1.1
265.14532	0.8
290.94916	0.7
454.25586	1.1
477.26373	1.0
494.29227	1.3
495.27310	0.7
496.27121	1.0
512.30206	4.7
536.30127	2.6
554.31226	100.0
555.31512	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	554.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.4
55.05523	3.9
58.99578	3.4
65.03924	3.0
67.05515	16.6
69.07063	10.9
70.02956	2.3
70.06585	2.9
71.04990	2.9
71.23522	5.6
74.00656	3.9
76.52412	2.3
79.05518	5.7
81.07064	12.8
82.06556	2.6
82.08858	2.2
83.05002	4.1
83.06108	7.7
83.08621	4.6
84.04514	29.6
85.02895	2.9
85.56837	2.4
85.57385	2.5
86.09705	2.9
91.05494	5.7
93.07041	6.6
95.04980	4.1
99.05623	3.3
105.07024	7.6
107.08595	6.6
109.07642	4.9
109.10148	21.7
110.09666	2.7
114.09158	3.9
116.01746	2.9
116.89268	2.5
119.04933	6.4
120.08106	4.7
121.06539	5.4
129.06662	6.0
130.05061	12.7
131.08592	3.5
133.10170	3.1
137.05988	6.4
145.06158	5.0
145.10136	3.7
146.06000	3.5
147.04410	3.3
151.07584	3.1
151.85065	2.2
153.03770	2.5
153.06616	7.3
155.08214	2.9
157.06537	2.4
159.08044	8.1
161.06047	7.8
162.02214	3.1
173.04167	2.4
173.08337	4.5
174.06735	3.9
174.09172	4.1
175.07558	7.9
176.07074	8.0
177.03659	4.6
178.06961	3.1
178.08618	12.9
181.06049	3.4
183.04700	4.3
185.05891	3.4
187.07553	29.0
188.06923	3.9
188.08426	6.6
189.09232	4.9
190.08704	4.1
191.05302	5.5
192.04747	3.9
193.03249	17.1
196.04309	4.0
197.09663	4.8
198.09081	4.0
199.07269	9.4
199.09900	14.7
202.08600	3.5
204.04822	16.1
205.03375	5.1
205.05374	5.2
206.06351	13.3
207.04854	7.1
208.04260	3.0
211.11383	4.3
212.08540	3.8
212.10526	4.1
213.09137	10.3
214.43906	2.8
215.10663	9.7
217.05429	3.4
218.06378	23.8
219.04773	23.5
222.05856	16.1
225.11519	5.0
227.10837	5.4
227.13141	7.0
228.11430	9.5
229.12283	10.2
230.06355	8.1
230.13029	9.0
231.04858	4.3
232.07924	64.6
236.07404	8.0
238.12366	4.0
240.13834	23.2
243.08426	4.1
244.07886	12.8
245.06380	5.8
247.07512	2.6
248.07372	5.9
253.14919	2.8
258.15012	5.9
260.11075	27.9
261.09433	28.9
275.11243	3.2
284.10825	2.9
286.12643	51.0
287.11026	5.3
288.14191	5.4
289.11346	7.1
304.13666	30.5
306.15335	4.0
307.07489	4.6
317.18268	3.4
321.09058	3.8
333.09225	5.3
334.09854	33.3
339.10117	6.6
341.24710	3.4
343.16580	16.3
389.10245	4.8
389.15323	100.0
407.16428	17.9
425.17343	3.1
434.72821	3.2
447.92569	2.6
461.17361	33.7
479.18536	7.1
504.14209	3.2
518.19489	5.7
536.20923	17.7
554.21649	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	552.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.4
56.05038	1.9
57.03432	0.4
58.06627	1.3
60.08168	15.5
67.05513	2.0
69.03445	0.7
69.07077	0.9
70.06605	0.7
71.07380	6.6
71.08635	0.5
79.05511	1.4
81.03414	0.8
81.07053	2.2
83.04992	0.6
86.09713	46.0
91.05486	1.2
93.07075	1.1
95.04979	0.6
95.08623	1.0
97.10177	0.4
98.98475	4.3
104.10752	100.0
105.07029	1.1
105.11078	0.5
107.08614	1.0
109.06432	0.4
109.10158	0.8
119.08600	0.6
120.79688	0.4
121.10155	0.5
125.00016	24.2
127.03906	0.8
133.10101	0.5
145.10135	0.5
163.01588	0.6
184.07356	90.7
258.11053	1.2
277.21744	0.4
308.54083	0.4
434.23022	0.8
452.24146	4.6
465.57413	0.4
516.30817	2.2
534.32013	16.0
541.49744	0.4
552.33685	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	552.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67491	0.5
55.05508	0.8
56.05029	1.3
57.07070	3.2
58.06591	1.5
60.08167	18.3
67.22041	0.7
71.07379	6.8
71.08615	2.0
71.52168	1.0
71.75953	0.6
79.25743	0.5
80.37675	0.5
81.07044	1.5
85.10211	1.1
86.09711	49.6
93.07033	1.3
95.08607	1.6
98.98456	3.9
104.10751	100.0
104.48506	0.6
109.10130	0.6
125.00011	27.5
146.13220	0.6
159.79155	0.5
163.01575	0.9
184.07350	99.9
255.78827	0.7
255.81708	0.6
258.11032	1.2
305.10510	0.6
331.53769	0.6
389.87518	0.7
481.72034	0.7
506.44193	0.7
534.39215	7.0
552.40302	30.5
553.40692	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.278
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
55.05507	2.2
56.96582	1.9
58.99105	1.6
62.46076	1.8
67.05496	6.0
69.39996	14.1
79.05495	3.4
81.07056	5.1
88.05567	1.7
91.05488	3.2
93.07037	3.0
95.08627	3.4
98.21478	3.7
98.97566	4.0
98.98433	1.8
100.77676	1.8
105.07042	2.6
107.08617	2.5
109.10194	2.3
112.99180	3.8
116.98638	2.1
119.08607	2.7
123.44189	1.9
127.11142	2.1
131.00189	3.0
131.08557	1.7
135.11681	1.9
141.23471	1.5
155.08528	1.9
187.15005	1.8
201.66829	1.7
293.05511	3.7
317.17963	5.3
449.81421	1.9
488.51645	1.7
553.27759	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2816
Annotation	Canthiumine
Peak:m/z	Relative Intensity
57.07063	1.3
67.05512	1.5
71.50939	1.1
79.05503	1.1
81.07041	2.2
93.06998	1.8
95.08581	0.9
105.07031	1.5
107.08615	1.3
109.10162	1.5
109.58121	0.8
121.10127	1.4
128.94624	0.8
131.08611	0.8
133.10153	1.3
145.10110	1.8
170.27975	0.8
217.15863	0.8
221.15430	0.9
322.53275	0.8
349.59885	1.0
363.16147	1.9
376.47739	1.0
377.17596	2.4
378.18494	3.1
379.19147	1.4
391.19293	3.3
392.20010	3.3
393.20856	9.4
405.20999	1.4
406.21567	3.2
407.22406	10.2
419.22958	1.0
421.18057	1.0
421.23859	7.7
422.17487	1.4
436.18988	1.2
437.19720	9.4
448.22644	1.7
451.21332	13.4
465.22729	3.7
477.20920	0.9
477.26624	4.9
479.24722	1.1
480.24799	2.1
481.41714	0.9
493.26178	1.7
503.24542	4.4
509.22217	1.3
509.29019	5.6
524.24323	3.3
535.27008	5.0
538.26434	1.0
553.28156	100.0
554.28369	2.4
577.05060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2832
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
67.05501	0.5
67.83069	0.4
71.51302	0.7
81.07082	0.7
91.05451	0.6
91.54351	0.4
124.60317	0.3
138.70071	0.4
145.29597	0.4
151.03946	0.4
181.05034	0.5
189.47168	0.4
333.19452	0.6
389.23074	1.9
414.70990	0.4
551.28314	100.0
552.28705	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	552.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.4
56.05038	1.9
57.03432	0.4
58.06627	1.3
60.08168	15.5
67.05513	2.0
69.03445	0.7
69.07077	0.9
70.06605	0.7
71.07380	6.6
71.08635	0.5
79.05511	1.4
81.03414	0.8
81.07053	2.2
83.04992	0.6
86.09713	46.0
91.05486	1.2
93.07075	1.1
95.04979	0.6
95.08623	1.0
97.10177	0.4
98.98475	4.3
104.10752	100.0
105.07029	1.1
105.11078	0.5
107.08614	1.0
109.06432	0.4
109.10158	0.8
119.08600	0.6
120.79688	0.4
121.10155	0.5
125.00016	24.2
127.03906	0.8
133.10101	0.5
145.10135	0.5
163.01588	0.6
184.07356	90.7
258.11053	1.2
277.21744	0.4
308.54083	0.4
434.23022	0.8
452.24146	4.6
465.57413	0.4
516.30817	2.2
534.32013	16.0
541.49744	0.4
552.33685	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	551.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
55.01852	1.8
55.05494	3.1
56.05000	1.7
61.02935	2.3
67.05501	7.2
69.03425	7.2
69.07071	7.4
70.06591	5.8
71.04992	3.9
71.50475	1.9
79.05486	5.7
81.03430	2.0
81.07062	18.5
83.04961	3.3
83.08624	2.2
84.08113	2.1
85.02914	9.1
85.06545	7.9
86.09702	2.2
91.05441	8.0
93.07046	20.3
95.04964	2.8
95.08617	14.0
97.02880	2.2
97.06541	8.8
99.04465	2.8
99.08097	4.2
105.07041	16.3
107.02296	1.6
107.04958	2.6
107.08600	46.7
109.06537	7.6
109.10181	15.4
111.08071	4.4
118.59502	1.7
119.08569	9.1
121.06552	8.0
121.10152	27.2
123.08077	9.0
123.11714	1.9
125.09624	2.5
131.04971	2.2
131.08572	11.4
133.10139	28.3
135.08080	10.1
135.11703	5.9
137.05962	2.9
137.09644	9.7
139.11226	9.1
145.10086	5.5
147.11693	8.2
149.09596	10.0
149.13268	30.6
150.31664	1.7
151.11209	11.9
153.09088	3.6
153.25877	1.6
158.10922	3.3
163.14874	18.6
167.10742	3.3
173.13289	24.2
176.17874	1.6
179.14214	1.9
191.14325	77.3
193.60416	2.2
209.15393	46.6
227.16441	100.0
289.53735	1.8
303.05225	2.3
355.82932	1.9
551.18884	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.8
69.03416	3.8
70.66648	5.3
71.04981	1.8
74.78796	1.7
79.05515	10.5
85.02924	3.4
91.05467	7.0
95.04961	3.4
103.05476	25.9
105.07039	76.6
107.04965	2.1
113.79992	1.7
115.05470	16.4
118.04148	8.9
119.04963	2.6
129.10071	1.8
131.04948	15.7
133.06503	59.2
137.05980	10.3
143.06070	4.7
147.04393	7.0
148.05191	7.5
161.05992	100.0
163.07571	13.5
167.07004	3.3
167.69841	1.9
181.04927	4.9
190.02837	1.7
191.07048	60.6
193.08638	34.7
202.19458	1.8
287.10440	3.5
303.05112	2.1
305.11343	2.6
357.10864	5.4
417.25949	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	551.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01861	0.8
55.05498	0.9
57.07086	0.6
59.47305	0.4
65.03945	0.6
65.41307	0.5
67.05488	0.8
69.07061	0.6
69.33025	4.1
71.04992	1.9
76.83504	0.5
79.05493	1.6
81.07056	1.3
91.05469	1.3
92.02626	1.1
93.07027	0.6
95.04977	1.3
95.08590	0.6
98.20798	0.9
99.79500	0.6
105.07063	1.1
107.04960	100.0
108.05280	0.5
109.10158	1.0
115.15943	0.6
119.04970	1.9
119.08580	0.7
120.02096	3.1
121.06522	1.2
123.04419	1.4
127.11204	8.4
131.08583	0.5
137.05981	1.4
138.03151	1.0
145.10107	0.7
147.04434	1.8
148.01520	1.1
151.07542	1.7
153.07008	0.6
163.07602	1.2
166.02638	3.5
167.07130	1.2
175.07506	0.7
177.09058	0.7
179.07048	0.6
181.04967	20.8
181.06424	1.3
182.05345	1.9
183.05562	0.7
184.03754	1.2
195.06538	6.1
195.08095	0.9
197.08041	2.5
198.06824	0.6
209.06024	0.7
213.09172	2.2
231.13855	2.3
237.71855	0.5
249.14841	0.5
249.93729	0.6
273.11154	3.7
283.09863	0.9
301.07455	1.0
301.10724	10.5
302.11194	0.8
303.12228	2.3
427.21176	7.2
551.27118	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99730	0.8
51.08549	0.7
51.43410	0.7
53.03941	3.1
55.01866	2.3
55.05516	1.2
57.03445	1.2
57.24889	0.7
61.02937	1.0
62.48610	0.8
69.03425	6.8
71.04978	0.9
71.51276	1.3
73.02901	1.8
77.03941	0.9
79.05482	1.8
81.03417	7.8
81.07058	0.9
83.04991	0.8
85.02911	13.7
86.37057	0.8
87.00825	6.9
89.45467	0.8
91.05493	1.0
93.07051	1.7
95.04950	1.8
95.08554	0.8
96.02523	0.8
96.51815	0.7
97.02900	5.2
99.04469	3.1
105.01873	3.3
105.04511	1.2
105.07014	1.5
107.04958	100.0
107.08585	0.9
109.02879	6.3
117.01871	1.1
121.10130	2.0
127.03930	10.7
131.04956	1.2
140.04700	2.0
144.05684	0.8
145.04938	3.2
145.06384	0.7
145.10130	0.9
149.05951	5.1
155.07050	8.0
159.02885	3.2
164.04660	1.5
173.06029	1.0
179.07080	5.2
179.08344	0.8
182.05817	1.2
197.08104	54.9
303.12271	70.0
419.23288	0.8
551.26477	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	551.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	5.7
55.01885	6.4
55.05515	32.0
58.83235	2.3
58.99591	29.7
61.01147	5.2
61.02926	5.2
67.05508	6.1
68.99791	4.1
69.03433	3.7
69.70412	14.5
78.34212	2.4
79.05497	5.9
80.64221	2.4
81.03400	5.6
81.07055	7.2
83.04987	36.6
85.02918	3.5
86.99060	27.6
87.00838	7.2
89.00640	4.8
91.05489	23.6
93.07050	9.3
95.05000	4.3
95.08627	3.5
97.02877	3.9
97.06544	4.2
103.05463	4.0
105.07041	14.2
107.04942	4.8
107.08594	6.7
109.02887	2.4
109.10193	4.1
115.05472	9.3
116.04282	2.6
117.00100	29.8
117.07002	13.4
119.04977	2.7
119.08586	21.8
121.10185	11.1
123.04453	2.6
123.11731	4.0
127.03931	5.9
127.11188	4.2
128.06221	27.8
129.01877	7.3
129.07019	26.9
130.07750	3.0
131.03403	3.0
131.04974	4.1
131.08583	12.7
133.01338	4.5
133.06480	5.1
133.10170	5.2
137.05984	3.4
141.06985	20.2
142.07797	42.5
143.08594	28.4
145.06516	8.3
145.10110	16.1
147.08078	3.1
147.11728	3.5
149.04250	2.4
152.06271	7.4
153.07004	16.2
154.07790	33.9
155.08571	24.2
156.09348	4.4
157.01367	4.7
157.06517	6.7
157.10132	45.4
158.07425	2.7
159.04419	3.0
159.08076	7.9
159.11678	5.6
161.04243	18.5
161.05823	4.7
161.09714	2.8
165.07013	9.2
166.07803	5.5
167.07318	2.5
167.08595	17.0
168.09351	3.8
169.06491	5.7
169.10129	59.7
170.07272	4.6
171.02602	3.5
171.04318	2.6
171.08070	33.5
171.11707	6.4
172.03413	2.7
172.08864	3.4
173.04341	2.6
173.06075	12.3
173.09615	13.8
175.02434	16.2
175.03754	3.2
175.07611	2.7
178.07849	3.3
179.08536	13.5
181.06416	4.5
181.10112	8.0
182.07310	11.3
183.08049	10.5
184.08815	4.8
185.04253	4.0
185.09622	38.7
186.05029	8.2
187.05826	6.6
187.07568	3.2
187.11191	22.9
189.09186	3.3
195.08096	10.4
196.08910	3.9
197.09633	74.7
198.05139	2.7
198.06831	5.2
199.05713	2.8
199.07526	4.7
199.11169	9.3
201.07341	13.5
201.09106	7.7
203.05237	2.4
211.05714	2.5
211.07594	6.1
213.07277	11.9
213.09106	100.0
214.04457	4.4
215.08713	3.1
215.10710	41.6
225.09109	79.0
229.06874	18.8
231.08263	4.2
231.10233	25.1
243.10217	59.1
243.12592	4.2
245.06352	4.7
245.09839	2.5
247.07935	9.4
255.08423	4.1
257.06357	8.5
273.09558	3.1
275.07449	17.1
293.08273	3.3
319.09979	7.2
327.80328	2.6
337.11057	3.1
347.09497	6.6
365.10455	4.9
405.10129	3.8
433.09625	7.0
451.10706	11.5
488.01773	2.5
551.26447	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	551.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01867	0.7
57.03415	0.5
61.02948	0.4
65.03933	0.4
67.01871	6.1
68.99784	3.2
69.03436	2.6
70.06592	1.3
71.04640	0.7
76.35876	0.4
79.05480	0.5
81.03420	2.6
83.39672	0.4
85.02913	3.7
87.00814	1.6
88.07647	0.5
89.03914	1.7
91.05491	0.7
93.07077	0.4
95.08601	0.4
97.02901	2.3
97.06557	0.5
99.04450	1.1
103.05434	0.5
105.01845	0.8
105.07030	0.6
106.08729	0.4
107.04933	0.5
109.02892	2.4
111.00745	0.4
111.04473	0.4
117.03392	4.8
119.04919	1.0
123.04433	0.8
125.02290	0.6
127.03931	4.1
129.01860	1.1
131.04948	0.8
135.04381	0.5
137.05972	4.3
145.02869	12.4
145.04785	0.8
149.06018	1.5
151.03925	1.7
151.07556	4.2
153.01842	100.0
154.02165	0.6
159.02922	0.9
163.03903	1.0
163.07544	0.6
167.07077	0.8
171.02898	20.2
177.05479	17.4
177.07077	0.5
179.03406	7.3
195.02963	1.4
215.56502	0.4
218.21179	7.3
231.04964	0.7
261.03973	0.5
285.07733	0.7
286.04828	0.6
287.05081	0.7
301.07068	0.8
302.07327	1.0
303.08652	76.9
304.08978	1.0
391.23477	0.4
401.06979	0.7
535.41553	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.0
56.05033	1.1
57.03422	0.8
57.07067	1.1
58.06597	1.0
60.08168	15.3
61.05853	0.4
62.38733	0.5
67.05505	2.9
69.07063	2.1
71.07378	6.2
79.02572	0.5
79.05486	2.2
81.07050	2.0
83.08623	1.4
85.34819	0.7
86.09711	45.9
91.05473	1.3
93.07055	1.9
95.08599	2.1
96.63370	0.5
97.10190	1.0
98.21590	1.3
98.98480	3.8
104.10751	97.2
105.07030	1.2
107.08610	1.1
108.08929	0.6
109.10166	1.8
116.20309	0.6
119.08594	0.8
121.10146	1.1
125.00016	29.9
133.10144	1.5
135.11700	1.3
145.10220	0.6
173.13248	0.9
184.07353	100.0
197.12102	0.6
229.51727	0.6
258.11115	1.2
297.78552	0.5
367.31992	1.1
458.18521	0.6
532.37695	9.9
550.38776	27.9
551.38446	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.0
56.05033	1.1
57.03422	0.8
57.07067	1.1
58.06597	1.0
60.08168	15.3
61.05853	0.4
62.38733	0.5
67.05505	2.9
69.07063	2.1
71.07378	6.2
79.02572	0.5
79.05486	2.2
81.07050	2.0
83.08623	1.4
85.34819	0.7
86.09711	45.9
91.05473	1.3
93.07055	1.9
95.08599	2.1
96.63370	0.5
97.10190	1.0
98.21590	1.3
98.98480	3.8
104.10751	97.2
105.07030	1.2
107.08610	1.1
108.08929	0.6
109.10166	1.8
116.20309	0.6
119.08594	0.8
121.10146	1.1
125.00016	29.9
133.10144	1.5
135.11700	1.3
145.10220	0.6
173.13248	0.9
184.07353	100.0
197.12102	0.6
229.51727	0.6
258.11115	1.2
297.78552	0.5
367.31992	1.1
458.18521	0.6
532.37695	9.9
550.38776	27.9
551.38446	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.2
55.01880	4.0
55.05512	5.9
67.05506	16.1
69.03429	13.1
69.07072	7.4
70.24538	11.7
71.04974	3.8
79.05515	17.1
81.03434	18.2
81.07066	30.0
82.04082	3.4
83.04964	3.3
85.02917	28.0
87.00844	14.6
88.22855	3.6
91.05495	18.2
93.07053	35.7
95.04990	5.2
95.08614	29.2
97.02904	20.4
97.06534	6.5
97.10174	3.3
99.04454	7.9
105.01852	6.9
105.07046	62.2
107.08604	40.2
109.02898	21.3
109.06506	3.7
109.10158	30.2
109.18130	3.1
111.08024	3.1
117.07035	9.1
119.08588	59.2
121.10148	12.3
127.03917	17.1
129.07034	6.1
131.08611	21.0
133.10152	15.0
135.11734	6.3
142.19122	2.8
143.08607	7.9
143.26004	2.9
145.04955	5.9
145.10146	30.0
147.11708	23.3
149.09377	2.8
149.13266	8.8
155.08624	3.0
157.10124	12.2
159.02943	5.9
159.11766	15.8
161.13287	19.8
163.14857	26.5
171.11775	4.5
171.14903	2.8
173.13281	12.4
175.11101	4.2
175.14818	11.4
185.13293	6.4
193.12280	4.2
199.14871	14.3
209.13387	2.9
209.15329	6.7
213.16437	16.0
219.48026	2.8
227.17885	7.6
255.21120	100.0
259.16956	8.2
259.38962	3.0
273.18472	4.0
283.20639	11.6
299.19751	3.5
301.21643	94.7
460.36078	2.9
465.63962	3.2
503.26596	8.1
505.26828	6.5
549.26068	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.4
55.01876	8.1
55.05531	9.7
61.02919	8.0
61.55389	6.5
64.82166	6.0
67.05503	19.0
69.03437	74.8
69.07067	18.4
71.30339	13.7
73.02920	6.5
79.05489	10.7
81.03409	19.1
81.07061	46.0
83.08607	11.2
85.02910	39.5
87.00838	13.6
91.05479	30.9
91.52864	6.4
93.07050	29.1
95.04992	22.5
95.08613	41.1
97.02907	14.2
97.10198	10.9
99.04460	11.1
105.07021	64.2
107.08600	36.4
109.02867	6.7
109.10139	26.4
110.27204	6.0
115.03899	9.2
117.06972	11.3
119.08573	42.5
121.06503	31.6
121.10154	27.1
123.08082	8.8
123.11707	7.5
125.09741	7.8
127.03931	25.1
129.07043	8.9
131.08568	40.2
133.10115	37.3
135.08086	8.9
135.11697	8.7
141.06952	7.3
143.08548	34.5
145.10153	47.1
147.03061	7.0
147.08073	8.1
147.11737	35.2
149.13301	10.8
155.08559	27.6
157.10220	45.7
159.08073	8.7
159.11687	42.5
161.13293	20.6
169.10133	34.8
171.11688	47.6
173.09625	8.7
173.13235	33.8
178.85258	6.7
181.10167	12.6
183.11736	66.0
185.13307	28.7
193.10046	13.0
195.11728	17.2
197.13300	27.6
199.14848	43.9
207.11751	14.8
209.13232	20.0
211.14812	31.9
213.16457	18.8
217.12248	6.8
221.13196	14.6
223.14801	10.5
225.16385	18.7
227.18016	17.1
231.05095	7.9
233.13101	8.9
235.15034	9.4
237.16422	29.4
239.18016	81.5
241.19521	14.3
247.14915	9.6
249.16553	10.9
251.17873	8.1
253.19618	20.7
255.21095	70.9
263.17892	8.0
265.19659	20.7
267.21112	24.7
273.18558	9.0
277.19562	23.8
281.15466	10.2
283.20621	16.1
285.22266	11.7
291.20956	10.2
295.20685	18.2
301.21622	29.1
313.21570	26.7
345.22134	31.9
359.22284	22.5
363.23206	29.7
381.24265	31.7
391.22415	10.4
399.25281	10.0
409.23584	19.8
427.24927	43.2
441.26141	9.4
467.24268	25.0
485.25400	100.0
487.26932	28.1
503.26440	54.3
513.24915	94.5
531.26239	9.7
549.26910	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	549.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.8
57.07056	0.4
63.02381	0.4
65.03926	0.5
67.05484	1.2
68.02655	0.4
71.04992	0.6
78.04700	0.5
79.05494	0.5
80.41278	0.3
81.03403	0.3
81.07050	0.6
85.79146	0.3
91.05476	1.3
92.02618	3.0
93.07047	0.7
95.04972	0.8
95.08611	0.5
97.06527	0.6
98.87122	0.3
105.07024	0.7
107.04945	1.1
107.08543	0.5
109.10143	0.8
111.00687	0.4
112.07121	0.4
119.04959	1.7
119.08592	0.4
120.02094	9.0
121.02889	0.9
121.10107	0.4
123.04414	0.5
127.11192	1.4
131.08536	0.3
133.10164	0.4
135.04416	0.4
137.02330	1.1
137.05968	1.0
138.03111	2.8
147.04419	3.0
148.01573	4.0
151.03905	0.9
151.07553	0.4
153.01805	0.5
157.10202	0.5
159.08189	0.4
161.09608	0.4
163.07576	0.7
166.02631	11.1
167.03427	2.2
175.07535	0.6
177.09181	0.3
180.04298	0.5
181.04967	100.0
182.05258	0.6
184.03694	4.1
189.09059	0.4
197.05988	0.8
198.05176	0.4
199.07507	0.9
210.51489	0.3
225.05510	0.6
231.13832	0.8
240.07867	1.0
243.10115	3.9
255.06564	1.1
271.09622	3.6
283.06171	0.6
284.06827	1.0
286.04764	0.6
299.09167	7.2
300.09839	0.7
301.07065	1.5
301.10721	6.7
313.07010	0.4
315.05020	1.0
347.75970	0.3
423.10367	0.4
486.62610	0.4
531.23889	1.1
549.20795	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
57.07036	0.4
65.03923	0.7
67.05499	1.2
69.07059	0.7
71.04988	1.7
71.51100	0.3
71.51518	0.4
72.61495	0.3
78.04703	0.7
79.05487	1.0
81.03424	0.4
81.07043	1.1
83.04989	0.7
91.05483	1.9
92.02629	3.6
93.07031	0.6
95.04970	0.6
95.08596	0.9
97.10172	0.4
105.07028	0.7
107.04928	1.3
107.08582	1.6
109.06531	0.4
109.10130	0.6
115.05414	0.4
116.05287	0.4
117.07005	0.4
118.65547	0.4
119.04949	1.9
119.08540	0.5
120.01261	0.7
120.02090	8.2
120.05798	0.5
121.02847	0.8
121.06502	0.7
121.10159	0.4
123.04414	0.8
125.05975	0.4
125.09649	0.4
127.11205	2.3
131.00343	0.4
135.08104	1.8
137.02307	1.3
137.05983	3.5
138.03123	2.1
139.03894	0.6
143.08549	0.5
145.06497	0.5
145.10109	0.4
147.04422	5.3
147.08055	0.5
148.01558	5.3
151.03925	1.0
151.07574	2.5
152.04729	0.5
153.01814	0.8
161.06015	0.4
161.09698	0.6
163.03784	0.4
163.07523	3.8
166.01308	0.7
166.02621	10.1
167.03427	1.7
175.07532	2.0
177.09087	1.5
180.04219	0.8
181.04959	100.0
182.05328	0.7
184.03687	4.1
189.09096	0.8
199.07504	0.9
203.97343	0.4
225.05528	0.8
231.13795	5.3
240.07744	1.0
243.10199	3.6
249.14865	2.7
253.08655	0.4
255.06459	0.8
259.09509	0.5
267.06781	0.4
269.08136	0.6
271.09702	1.9
283.06122	0.6
284.06699	1.0
299.09137	7.3
300.09909	1.1
301.10690	15.6
376.16434	0.3
425.19482	0.4
531.23560	0.8
549.08191	0.7
549.20782	0.6
549.29865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69476	0.4
53.93267	0.5
55.05505	0.9
64.41938	0.5
65.03932	0.6
67.05501	1.8
67.12675	0.4
69.07070	0.7
70.90648	1.4
71.04993	1.7
79.05479	1.6
81.07068	1.3
81.62720	0.5
91.05499	3.1
92.02629	3.2
93.07002	0.9
95.04955	0.8
95.08614	0.7
97.06565	0.7
104.35256	0.5
105.07005	1.2
107.04955	5.4
107.08624	0.8
109.10165	1.8
111.04428	0.8
119.04961	5.6
120.02093	10.3
121.02888	0.9
123.04359	0.6
127.11229	3.2
137.02324	1.9
137.05968	1.6
138.03131	2.3
139.03876	1.9
147.04417	19.7
148.01532	3.8
151.03952	1.1
151.07541	1.2
153.01796	0.5
161.05983	1.1
163.97916	0.5
166.02629	13.6
167.07033	1.7
169.06427	0.5
175.07513	0.8
177.09045	0.6
181.04964	100.0
182.05339	0.8
182.07355	0.7
184.03679	4.2
189.09033	1.0
193.08574	2.8
197.05980	1.0
199.07509	1.9
201.12712	0.5
207.06468	0.6
211.58151	0.5
212.08369	0.7
225.05524	1.8
227.07196	0.7
228.07793	0.8
231.14063	0.6
239.07153	0.7
240.07819	4.5
243.10184	16.2
249.14842	1.0
255.06558	1.2
255.10089	0.6
269.08063	1.6
271.06506	0.9
271.09668	17.0
271.12610	0.9
299.09128	8.3
301.10712	67.7
302.10965	1.5
379.66165	0.5
395.18591	1.5
531.23627	3.3
549.35248	0.7
549.49292	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1604
Annotation	Daphneticin 4''-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.29247	1.8
54.43650	1.3
55.01861	1.8
60.09408	1.6
61.02908	2.8
69.03442	3.3
70.06601	2.4
70.37508	4.0
71.32106	1.4
74.31695	1.4
79.05510	3.3
81.03412	2.9
85.02898	8.0
91.05511	7.4
93.07072	2.2
95.04964	5.2
97.02896	3.5
102.04708	5.3
103.05492	7.7
105.07021	4.1
107.04964	4.8
107.08627	1.6
109.02910	2.4
119.04972	5.6
121.06488	3.9
122.03648	3.4
123.04424	6.1
124.05248	3.6
127.03886	1.9
130.04176	7.9
131.04938	26.9
133.02847	3.5
133.06488	3.7
135.04395	5.0
137.06004	24.4
143.08560	1.6
145.06503	6.4
145.77100	1.5
147.04408	11.1
148.01561	1.8
148.05208	1.9
149.05991	6.1
150.06781	9.2
151.03868	2.6
151.07573	1.9
161.02368	2.6
161.05995	6.4
162.06779	15.5
163.03877	4.7
163.07538	6.1
167.07036	4.6
179.03371	11.2
193.05003	2.8
207.02931	22.9
209.04463	9.1
219.03012	2.0
229.05101	2.2
233.04497	3.4
245.04509	1.8
249.05446	2.5
263.05585	6.2
266.05804	2.5
291.09921	1.6
309.07538	2.0
337.07071	9.1
357.09827	3.5
369.09650	2.1
387.10748	100.0
388.10822	2.4
478.16394	2.3
490.98782	1.6
501.52847	1.6
517.98364	1.8
549.20428	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69767	0.3
55.05500	1.3
56.05029	0.8
57.03421	0.4
58.06602	1.4
60.08166	17.3
67.05502	3.5
69.07067	1.2
71.07381	7.2
79.05479	2.1
81.07054	3.4
83.08649	0.5
86.09708	50.0
90.01483	0.4
91.05485	1.4
93.07052	1.3
95.08611	2.6
98.20770	1.2
98.98483	4.5
104.10744	96.4
105.07044	0.7
107.08585	1.1
108.08933	0.4
109.10182	1.1
118.55214	0.4
119.08556	0.7
121.10199	0.7
123.11605	0.4
125.00006	31.4
131.08553	0.5
142.79771	0.4
145.10086	0.4
163.01593	0.6
184.07346	100.0
258.11139	1.2
283.22729	0.5
365.30597	0.9
456.95859	0.4
530.36145	8.9
548.37158	28.2
549.37701	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1244
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.26550	0.1
67.05477	0.1
69.03423	0.1
70.72562	0.1
79.05470	0.1
85.02902	0.1
86.38357	0.1
91.05479	0.1
93.44910	0.1
93.55152	0.1
99.00842	0.2
103.05482	0.1
107.04887	0.1
109.02843	0.1
119.04946	0.3
121.02872	0.8
127.00304	0.2
131.04857	0.2
132.24498	0.1
137.05963	0.5
140.01051	0.1
149.06024	0.1
153.01851	0.4
161.05904	0.1
167.07040	0.3
168.00557	3.9
168.02019	0.2
174.11243	0.1
186.01639	1.2
216.27750	0.1
229.05051	0.2
238.80327	0.1
255.06738	0.1
258.05252	8.4
259.05951	0.2
284.90244	0.1
285.03912	0.2
286.04727	50.5
287.04999	0.8
300.05945	0.1
301.07071	100.0
302.07425	1.6
407.64310	0.1
463.12326	0.9
478.15970	0.2
549.12421	1.6
549.20154	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.8
55.01863	3.0
55.05513	30.3
55.43972	1.4
57.03443	7.6
57.07072	6.6
57.67176	1.4
59.33224	1.9
65.03957	3.9
67.05510	100.0
69.03432	2.6
69.06728	2.4
69.07072	27.8
71.04999	40.9
71.08626	3.6
79.05496	58.0
81.03426	18.1
81.05701	1.4
81.07059	61.6
82.07396	2.5
83.04996	9.8
83.08619	18.1
85.06555	4.6
91.05489	48.4
91.84818	1.5
92.77243	1.4
93.07050	62.8
95.04965	21.2
95.08614	50.1
97.06530	8.1
97.10167	12.8
103.05483	2.1
105.04503	3.0
105.07039	24.6
107.04961	5.5
107.08607	29.8
109.06529	4.6
109.10165	49.6
111.08089	4.7
114.84912	1.3
115.05490	2.2
116.86420	1.3
117.07039	11.3
119.08585	28.1
121.06525	6.3
121.10145	21.9
123.08048	2.8
123.11713	3.5
124.70882	1.4
125.09639	5.6
127.11214	1.7
129.07025	5.5
131.08562	13.8
133.10152	12.6
135.08078	3.4
135.11690	22.8
137.09645	14.7
137.13228	1.8
143.08582	4.1
145.10135	12.6
147.11719	10.9
149.09671	2.3
149.13254	6.8
151.11227	2.2
155.10788	2.3
157.10152	5.2
159.11757	5.2
161.13310	5.9
163.11182	6.9
163.14865	3.3
165.16432	1.6
169.10175	2.4
169.12285	4.0
171.11734	3.9
173.11813	2.0
173.13208	3.8
175.11122	3.0
175.14841	2.1
181.12227	2.2
183.11774	1.9
185.13254	3.1
187.14793	2.6
189.11273	3.5
193.12256	6.2
199.14842	3.2
201.12885	1.6
211.13266	1.8
215.18022	1.8
227.12752	8.2
241.18044	1.7
243.15945	1.6
245.22704	2.5
261.22180	2.8
263.23758	3.1
267.15942	15.8
271.15317	2.5
288.68777	1.5
303.26892	4.5
317.24808	1.6
335.25815	2.5
337.27289	11.7
363.25687	1.6
437.34131	3.8
455.35226	10.1
473.36295	4.7
493.37228	1.8
503.37299	11.8
515.37506	6.4
529.38910	29.6
547.39935	69.6
554.48389	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.1
55.01873	10.1
57.03436	4.9
57.07082	50.0
60.04505	1.3
60.08991	1.1
61.02932	4.7
68.99789	3.2
69.03086	1.9
69.03435	23.9
69.98383	6.0
71.04990	3.5
73.02914	7.1
79.05501	1.7
81.03432	25.5
83.01360	1.6
85.02915	60.3
85.06550	38.1
87.00841	24.7
91.03959	2.0
91.05474	2.8
93.07080	6.1
95.08604	1.5
95.90591	1.2
97.02905	23.7
97.06546	5.1
98.06854	1.3
98.20796	1.4
99.04466	12.4
103.05468	4.7
104.10767	2.4
105.01865	16.4
105.07015	1.6
107.04948	2.0
108.04485	2.5
109.02888	26.1
115.03942	1.2
117.01843	4.1
121.06517	32.6
126.05540	1.9
127.03934	46.2
129.01865	4.6
131.04955	1.3
135.08066	3.2
138.03085	1.9
140.04796	1.2
145.04980	20.1
145.06273	1.4
145.06599	1.2
147.02881	1.3
149.06000	72.7
153.05476	49.2
154.05928	1.5
159.02898	15.9
161.06075	1.2
163.07625	2.6
167.07115	1.4
173.06012	9.5
177.05516	5.3
181.08612	100.0
187.07553	4.1
189.03957	2.2
193.08557	2.0
195.10179	1.7
205.08662	7.5
213.03946	2.7
219.06581	1.7
223.07623	2.3
223.09641	17.5
230.06711	1.3
231.05026	10.6
247.09697	2.2
268.35297	1.3
271.09583	2.5
283.15424	70.4
289.10870	2.2
307.12152	2.3
307.15405	7.7
328.16061	1.5
349.16568	6.0
356.15823	3.0
366.71658	1.4
373.16425	1.6
391.17551	3.9
506.33731	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
57.03420	0.3
60.29347	0.3
64.03162	0.5
65.03938	0.7
67.05513	1.8
69.07064	0.4
71.05006	2.1
71.51490	0.5
79.05479	1.1
81.03409	0.6
81.07065	0.4
83.08665	0.3
86.69831	0.4
91.05482	1.1
92.02629	4.0
93.07011	0.6
95.04969	0.5
95.08580	0.8
97.06536	0.3
105.07030	0.8
107.04955	1.1
107.08612	0.5
109.10151	1.3
119.08541	0.6
120.02093	10.3
121.02875	0.8
121.10100	0.6
127.11211	5.5
129.07030	0.3
131.08578	0.5
133.10144	0.6
137.02319	1.7
138.03143	3.7
143.08498	0.3
145.10101	0.4
148.01547	3.9
153.01851	0.7
166.02623	12.0
181.04967	100.0
182.05412	0.6
184.03665	4.7
193.21031	0.3
211.13281	0.3
213.09154	0.4
227.06841	0.4
241.08713	0.6
259.09726	1.4
272.34995	0.3
349.18030	0.7
361.43933	0.3
367.19131	2.5
393.17087	0.7
529.22363	0.7
547.22864	0.6
547.34735	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.0
55.05516	7.2
56.05027	1.4
57.03438	1.6
59.04993	1.5
62.06071	2.0
67.05514	11.4
69.03436	3.4
69.07061	5.7
70.04094	1.6
70.06602	3.2
71.04983	3.5
71.08634	5.6
71.50317	2.2
72.08160	5.8
73.02927	1.4
79.05523	8.0
81.03419	3.9
81.07062	10.9
83.04990	2.8
84.04520	1.5
84.08155	2.4
85.02921	2.6
85.06556	2.1
86.06075	42.3
87.04475	2.5
91.05490	16.8
93.07049	9.3
95.04987	4.3
95.08615	19.5
96.08144	10.4
97.06544	16.2
98.06078	3.2
98.09698	18.0
98.21557	1.4
98.79755	1.4
99.04475	2.9
99.08118	1.7
105.07046	4.6
107.04931	1.8
107.08607	5.0
108.08143	3.6
109.10169	5.6
111.99400	1.2
112.00196	1.4
114.09133	2.3
116.10742	86.2
117.07051	3.0
119.08597	17.2
121.02898	1.7
121.06527	1.7
121.10168	3.2
122.09696	2.7
123.04421	1.8
124.07613	3.7
125.09637	2.3
126.09130	1.5
129.07045	1.8
131.08560	2.2
135.08066	3.3
135.10489	1.6
137.05988	3.1
137.09628	15.1
142.08667	8.8
143.08672	2.6
143.10687	11.5
145.06567	1.8
147.08083	5.7
149.09602	1.5
151.07545	3.3
155.10715	2.5
161.06033	3.1
161.09660	3.4
163.07587	3.2
165.09114	3.8
173.09634	1.6
175.07558	2.8
183.13957	1.9
187.07573	1.5
189.09155	3.6
195.08202	2.0
196.17046	2.6
201.11316	1.3
203.10780	2.1
207.10139	1.6
209.11627	1.9
214.18042	41.1
217.08551	1.6
227.13037	1.4
229.12251	3.8
247.13483	2.3
254.21184	8.4
256.19095	4.9
258.02573	1.6
265.14374	1.5
280.19141	9.1
298.20154	4.4
311.12808	2.5
313.14148	1.8
316.21112	4.1
327.15826	2.0
348.17276	1.7
354.14313	2.9
354.26486	1.7
355.15564	6.2
359.39139	1.8
384.23691	2.1
402.24942	2.7
412.23508	4.1
430.24310	9.7
435.21609	1.8
448.25467	100.0
458.17505	1.6
528.32068	3.6
546.32855	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	546.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
55.05514	13.5
57.03437	2.7
57.07088	3.6
58.07269	1.8
62.06092	15.4
67.05508	18.9
69.07066	12.6
69.38031	17.7
71.04996	7.2
71.08620	6.8
79.05499	16.6
81.03407	5.0
81.07059	24.8
82.27285	2.0
82.92377	2.1
83.04982	4.4
83.08616	7.9
85.06565	2.3
85.36180	1.9
86.23108	1.9
91.05482	14.3
93.07072	16.5
95.04974	4.1
95.08625	14.9
97.06523	2.3
97.10158	2.9
98.98471	41.3
99.08126	2.0
104.65767	2.2
105.07050	17.1
107.04948	2.7
107.08597	19.3
109.06526	13.1
109.10162	9.7
111.08093	5.0
117.07027	3.4
119.08594	19.4
121.06495	3.2
121.10149	9.6
123.08070	22.1
123.11678	3.5
124.01561	2.1
125.09592	3.8
127.11188	10.3
129.07011	3.4
131.08553	7.7
131.09676	1.8
131.55389	2.0
133.10149	15.3
135.08044	15.5
135.11681	4.9
137.09624	4.1
143.08549	2.8
145.10126	8.4
147.11728	11.3
149.09615	3.4
149.13307	2.6
155.01108	2.1
155.08585	2.5
155.10704	6.1
157.10094	4.3
159.11665	6.2
161.09665	4.8
163.11124	2.8
163.14729	2.3
165.12740	3.4
171.11690	2.6
172.47298	2.2
173.02069	3.6
173.13246	3.6
175.14803	9.8
177.09067	2.6
177.12738	4.5
179.14310	37.1
181.04959	3.4
191.14240	3.4
193.12279	3.8
193.15979	3.3
198.05374	2.6
205.15875	10.1
216.06332	7.2
231.13765	3.1
275.20096	2.9
289.21542	5.8
303.26788	5.2
319.22647	4.5
331.26340	48.9
349.27402	3.8
374.30554	8.2
387.28812	5.1
405.30017	76.5
427.84537	2.0
485.26645	56.6
494.90594	2.3
503.27704	100.0
504.27512	3.4
528.30768	11.7
528.37982	3.7
546.31732	17.9
546.38489	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	546.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.9
53.66105	0.9
54.19528	1.1
55.01867	1.3
55.05523	5.9
55.81541	1.0
59.27405	1.0
61.79251	0.9
62.06077	1.7
64.73608	1.0
65.03952	1.2
67.05505	8.4
69.07058	3.5
69.50198	7.6
70.06587	3.4
71.04996	2.6
71.08624	7.7
72.08154	4.8
77.50665	0.9
79.05496	3.8
81.03405	1.1
81.07083	6.0
83.07387	1.7
84.08136	3.1
86.06071	37.2
87.04478	1.7
91.05485	10.0
91.47795	1.0
93.07053	6.3
95.08611	14.8
96.08131	13.4
98.06020	2.0
98.09690	15.1
98.21513	1.2
99.04462	3.0
99.08102	3.8
105.07037	2.2
107.08604	1.0
108.08149	3.8
109.10160	5.9
114.09179	2.2
115.03936	1.8
116.10736	91.9
118.97169	1.2
119.08588	17.8
121.06441	1.1
121.10110	1.8
122.09658	2.5
123.08046	1.8
124.07624	3.1
126.09147	1.2
129.06989	1.4
137.09625	16.3
138.56520	1.1
140.10721	1.5
142.08632	12.0
142.12286	1.8
143.10680	12.1
147.08066	4.9
154.15877	2.6
155.10715	1.3
165.09106	5.0
166.15999	2.3
171.57167	1.1
175.07388	1.2
178.15814	1.5
181.47057	1.3
183.13945	1.8
185.11754	1.2
196.16963	7.8
201.11243	1.3
209.11746	1.0
214.18028	91.7
227.12764	1.2
238.18204	1.6
253.29573	1.1
254.21210	7.3
256.19061	5.6
262.17987	1.5
280.19138	10.4
298.20160	4.1
316.21329	4.0
384.23810	2.1
402.25052	3.0
405.04889	1.1
412.23184	2.5
430.24573	6.2
448.25449	100.0
528.31714	4.4
545.64368	1.6
546.32764	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.1
55.01865	5.8
55.05515	36.4
57.03445	12.0
57.07072	4.9
65.03926	3.7
67.05506	72.6
67.15591	2.1
69.03434	6.7
69.07070	22.0
69.85820	5.2
69.86224	7.8
71.04981	5.3
73.17570	2.5
76.89756	2.9
79.05070	3.7
79.05499	48.6
81.03427	24.0
81.07059	75.1
83.04978	6.7
83.08611	21.0
85.06511	4.1
91.05486	40.6
93.07043	51.2
95.04967	22.3
95.08614	42.8
97.06525	8.1
97.10177	24.5
98.20766	4.1
103.97556	2.2
105.07032	39.7
106.98853	2.2
107.04940	7.7
107.08597	31.5
109.06519	8.1
109.10154	29.9
111.08080	6.8
117.07023	20.4
119.08582	31.3
121.06517	7.1
121.10135	24.9
123.08067	7.8
123.11715	10.1
125.09633	19.5
129.07014	8.8
131.08578	29.5
133.10118	24.6
135.08105	7.1
135.11687	14.6
135.69556	2.2
136.93086	5.1
137.09657	2.8
142.07919	2.7
143.08511	11.6
145.06563	2.8
145.10114	26.5
147.08052	7.0
147.11711	19.7
149.09622	4.7
149.13254	8.7
154.94197	7.0
155.08615	4.9
157.10107	12.7
159.07993	3.4
159.11697	15.2
160.93623	2.5
161.09683	2.4
161.13300	8.3
163.14807	6.5
169.10193	9.2
171.11679	10.4
172.95251	3.3
173.13181	13.1
175.14853	5.4
183.11722	5.1
185.13271	8.8
187.14839	8.2
189.11241	10.8
189.16425	4.2
193.12303	7.9
195.11734	2.7
197.13280	5.4
199.14946	3.4
201.16339	5.2
205.12309	2.5
209.13332	3.1
210.97783	2.9
215.17987	3.4
225.16618	2.5
227.12799	20.7
247.16893	3.0
249.14761	2.9
257.24402	2.3
259.20801	2.9
261.22202	11.6
267.15891	25.0
279.23285	2.7
285.22168	4.0
289.22012	2.6
301.25198	19.2
303.23334	5.0
317.17838	5.1
335.25870	19.2
359.26071	2.6
421.25879	3.8
435.27444	3.0
435.32635	10.9
453.17285	3.7
453.33594	19.8
471.18277	6.2
471.34836	15.2
527.37292	65.8
528.25208	2.4
545.22375	4.9
545.38422	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69749	1.4
53.03943	6.6
55.01869	5.9
55.05269	2.7
55.05516	33.8
57.03443	8.8
57.07082	3.0
59.04998	2.4
65.03931	3.6
67.05510	65.7
69.03436	4.8
69.07075	15.3
69.70734	1.4
69.98756	7.1
71.04984	4.8
79.05502	56.5
81.03424	29.6
81.07065	60.4
83.04989	7.2
83.08629	21.5
85.02917	7.8
85.06533	2.9
86.09680	2.3
91.05488	43.9
91.06023	3.2
93.07056	45.4
95.04975	19.1
95.08611	39.6
97.02896	2.5
97.06545	5.6
97.10173	18.6
102.92680	1.6
103.05508	2.5
104.10753	5.8
105.04535	2.3
105.07043	31.4
107.04962	6.3
107.08595	29.6
109.06522	7.3
109.10167	23.0
111.08112	5.1
113.06034	1.6
115.05493	1.6
117.07028	14.2
119.08591	27.7
121.06502	6.4
121.10152	19.2
123.08091	3.6
123.11728	7.0
125.00034	2.0
125.09651	12.0
128.06276	2.0
129.07027	10.9
131.08577	25.9
133.06592	3.6
133.10147	23.9
135.08104	5.8
135.11674	11.4
137.09625	4.8
137.13257	1.7
141.06995	1.9
142.07890	2.0
143.08607	11.2
145.06456	2.7
145.10129	14.7
147.08060	4.9
147.11668	15.4
149.09633	5.0
149.13304	6.4
151.11234	1.8
155.08502	3.5
157.10129	11.9
159.08121	2.5
159.11728	14.0
161.13313	5.0
163.11198	3.4
163.14862	3.8
165.12802	2.6
169.10213	3.8
171.11734	6.4
173.13254	8.2
175.11215	7.1
175.14804	3.9
183.11723	4.3
184.07379	5.4
185.13290	5.3
187.14868	5.1
189.11237	6.4
189.16402	2.6
193.12277	19.1
195.11684	1.8
197.13304	2.7
199.14983	1.8
201.16534	2.1
211.13277	17.4
211.14975	1.6
227.12755	8.4
233.88643	1.6
243.21222	1.9
247.16978	2.1
261.22183	7.3
267.15967	14.3
285.22131	3.4
287.20203	1.8
299.23630	2.3
301.25266	16.8
303.23291	3.8
326.02679	1.7
335.25864	11.0
359.25751	2.3
417.31506	2.2
435.27621	1.7
435.32516	7.9
453.33710	10.7
471.34766	10.3
484.22546	1.5
509.35779	1.8
527.37335	40.6
528.37561	1.7
545.38434	100.0
546.38110	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.0
55.01879	6.6
55.05278	2.6
55.05515	33.6
57.03441	10.5
57.07075	3.3
59.04994	1.5
65.03940	4.2
67.05506	69.5
69.03425	4.5
69.06736	1.5
69.07072	20.9
71.04985	4.0
71.08627	3.5
74.71410	1.2
77.03938	1.7
79.05495	49.4
81.03420	31.0
81.07059	64.5
83.04979	8.3
83.08166	1.7
83.08628	26.7
83.47858	1.3
85.02890	4.6
85.06535	2.3
87.45012	1.2
91.05482	38.0
93.07043	52.9
95.04971	21.5
95.08612	46.0
97.06541	6.8
97.10175	19.9
99.08106	3.2
102.92123	1.3
105.07034	34.4
105.54652	1.2
107.04965	8.2
107.08598	31.0
109.06516	4.0
109.10158	21.8
111.08076	6.7
115.05457	2.5
117.07005	12.7
119.08580	26.8
121.06503	8.8
121.10151	24.3
122.70501	1.3
123.08070	5.0
123.11696	7.2
125.09639	14.4
128.06195	2.3
129.06996	9.3
131.08585	25.7
133.06490	4.7
133.10141	19.8
135.08034	5.8
135.11696	13.4
137.09622	4.0
137.13251	2.1
141.07010	2.2
142.07777	1.8
143.08577	7.7
145.06497	3.2
145.10121	17.4
147.08035	3.9
147.11697	17.3
148.28984	1.3
149.09622	4.6
149.13225	7.2
151.11172	2.8
153.12718	1.5
155.08536	3.6
157.10152	9.5
159.11682	9.4
161.09618	2.1
161.13246	7.6
163.11172	3.0
163.14876	2.8
167.08453	1.6
169.10153	4.6
171.10294	1.8
171.11652	6.8
173.09653	1.7
173.13257	8.9
175.11212	3.7
175.14836	4.3
177.12807	1.9
179.14291	7.6
183.11691	3.9
185.13231	4.7
187.09424	1.4
187.11125	2.6
187.13330	1.7
187.14828	5.1
187.24809	1.4
189.11226	7.8
190.54144	1.5
193.12248	19.7
195.11661	1.6
197.13217	2.4
199.14873	4.0
201.16435	2.2
203.17941	1.7
205.12303	1.4
211.13280	10.2
213.16470	1.7
227.12823	14.5
233.15280	1.5
233.22548	1.4
235.16994	1.4
243.21123	2.8
247.16956	3.0
249.14880	1.8
261.18661	1.5
261.19168	1.9
261.22162	15.6
267.15970	19.7
273.22192	1.9
277.21698	3.6
283.24307	2.7
285.22153	2.8
287.20245	2.2
295.22641	1.8
299.23767	2.5
301.25272	16.4
303.23224	2.8
317.24808	4.2
327.23175	2.8
335.25815	14.5
341.24792	2.0
357.28214	2.0
359.25717	3.0
361.23618	2.0
417.31494	2.4
421.25821	2.7
435.27237	2.9
435.32669	6.3
453.33566	12.2
471.34906	7.2
527.29199	1.5
527.37286	45.6
545.38379	100.0
546.39038	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.7
55.01876	6.1
55.05272	2.4
55.05518	38.7
57.03448	10.3
57.07081	3.9
59.10444	1.9
65.03946	2.8
66.13345	1.8
67.05509	65.0
69.03417	3.6
69.07065	14.7
70.11031	7.9
71.04996	5.9
75.67651	1.9
79.05497	39.7
81.03424	28.0
81.07062	67.8
83.04974	7.3
83.08630	17.9
85.06540	2.7
91.05487	34.1
93.07050	42.4
95.04977	19.1
95.08624	36.2
97.06551	5.1
97.10179	19.9
98.21398	3.0
99.08113	2.1
105.07038	31.9
107.04964	6.8
107.08602	28.5
109.06535	7.2
109.10169	25.0
111.08105	4.8
115.05461	3.1
117.07016	16.3
119.08588	29.4
119.09384	2.7
121.06526	8.5
121.10152	16.1
123.08065	4.8
123.11710	6.1
125.09642	16.9
129.07024	10.4
131.08583	26.2
133.06456	3.2
133.10135	20.3
135.08060	6.7
135.11732	10.5
137.09583	4.0
142.07761	2.4
143.08572	7.8
145.10161	15.6
147.08075	3.6
147.11697	15.2
149.09599	4.2
149.13278	6.0
155.08597	4.5
157.10110	9.4
159.11696	18.9
161.09578	3.1
161.13257	9.7
163.11220	4.0
163.14795	3.7
169.10100	3.8
171.11752	5.6
173.09688	3.4
173.13278	12.4
175.11168	3.1
175.14906	3.2
183.11629	4.1
185.13200	4.5
187.14865	6.9
189.11241	8.1
189.12784	3.6
189.16409	2.8
191.14503	2.1
193.12279	5.8
195.11816	2.2
197.13338	4.6
199.14871	5.1
201.16338	3.1
203.14650	2.1
211.14951	2.6
223.14833	2.4
227.12798	16.9
233.15427	2.5
243.21094	2.7
247.17137	2.3
249.15024	2.9
261.22128	12.0
267.15924	21.2
279.23401	4.3
285.22150	3.1
287.20032	3.4
299.23849	2.6
301.25256	24.4
303.23132	3.4
327.23291	2.3
329.21216	2.6
335.25781	13.7
359.26022	3.0
361.23691	2.1
375.98444	1.8
403.24713	2.3
417.26483	3.3
417.31610	2.6
421.25922	3.4
435.27365	2.6
435.32654	11.8
453.33542	15.1
471.34613	11.4
509.36270	3.8
527.31403	1.5
527.37378	57.4
545.38446	100.0
546.38715	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.0
55.01875	5.3
55.05514	40.2
56.05826	2.2
57.03426	7.0
57.07076	2.7
65.03937	5.2
67.05508	84.8
69.03441	6.6
69.07066	22.7
69.95944	10.6
71.04988	4.9
78.52926	2.0
79.05495	54.5
80.95997	2.2
81.03419	29.5
81.07058	71.3
81.65328	2.1
83.04980	6.5
83.08616	27.9
85.06524	3.3
91.04970	3.7
91.05485	37.3
93.07043	54.7
95.04984	22.7
95.08610	47.8
97.06533	8.9
97.10176	29.9
98.21445	3.1
99.08137	2.2
105.07030	36.7
107.04930	5.2
107.08595	30.2
109.06520	5.5
109.10163	33.0
111.08110	6.7
117.07011	20.4
119.08600	31.9
121.06526	9.5
121.10146	23.0
123.08101	7.5
123.11694	11.5
125.09629	14.5
128.06194	2.4
129.07011	14.5
131.08575	25.4
133.06505	2.9
133.10161	21.7
135.08086	7.3
135.11699	13.9
137.09622	6.5
141.06975	3.3
143.08551	11.6
145.06485	4.3
145.10114	22.3
147.08058	4.3
147.11681	18.9
149.09657	7.7
149.13298	8.9
155.08591	3.5
157.10141	10.2
159.08017	3.0
159.11717	15.1
161.09540	2.7
161.13251	11.0
163.11224	3.5
163.14905	3.0
169.10170	5.8
171.10269	2.9
171.11696	10.3
173.09624	2.6
173.13257	13.9
175.14757	4.4
181.10181	4.1
183.11681	3.5
185.13222	4.9
187.14847	8.1
189.11259	9.2
189.12820	3.0
189.16397	3.1
193.12288	12.6
195.11746	4.7
197.13235	3.7
199.14824	6.2
201.16411	3.8
227.12769	19.5
233.15451	3.4
237.16531	3.0
239.26456	2.4
240.85173	2.7
247.16989	3.0
249.14838	2.5
261.19568	3.4
261.22125	18.9
267.15903	28.7
273.22296	2.9
279.23413	3.5
285.22238	4.5
299.23788	3.6
301.25275	24.8
303.22797	3.2
317.24673	3.0
327.23395	2.8
335.25797	19.4
337.70709	2.4
357.28082	2.7
359.25815	3.8
385.86868	2.2
417.31595	2.9
421.25662	6.0
435.27505	2.8
435.32739	11.5
453.33630	21.1
471.34830	16.3
509.36160	3.9
527.37354	65.5
528.38013	2.3
545.38416	100.0
566.00311	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	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71089	1.7
53.03947	4.8
54.23156	2.1
55.01869	7.3
55.05513	36.7
57.03450	10.5
57.07072	2.9
59.04993	2.9
64.64191	2.1
65.03937	3.3
67.05506	75.9
69.03426	4.4
69.07073	19.6
69.20715	22.7
71.05003	4.6
79.05496	47.4
81.03428	21.3
81.06592	4.7
81.07061	72.0
83.04993	5.0
83.08618	24.3
85.06544	4.4
91.05490	41.1
93.07045	46.6
95.04973	18.8
95.08612	47.4
97.06549	8.2
97.10175	23.4
105.07043	31.6
107.04990	6.6
107.08589	27.7
109.06560	4.8
109.10159	22.6
111.08070	3.9
117.07012	17.8
119.08589	29.8
121.06492	9.1
121.10166	18.4
121.22491	2.3
123.08067	4.7
123.11729	8.0
125.09633	19.6
128.06250	3.0
129.07022	9.6
131.08565	24.5
133.06528	4.3
133.10152	21.6
135.08076	4.5
135.11702	14.5
137.09662	5.3
142.07782	3.5
143.08572	7.6
145.10129	20.5
147.11665	16.7
149.09647	5.5
149.13303	7.8
151.11139	2.3
157.10104	11.7
159.08104	5.1
159.11703	16.5
161.09604	3.0
161.13252	6.1
163.14893	3.0
169.10150	7.0
171.10269	2.5
171.11668	7.2
173.13292	7.7
175.11209	6.4
175.14867	5.4
181.10173	3.1
183.11734	6.2
185.13303	7.4
185.14967	2.0
187.13315	2.7
187.14894	7.2
189.11258	9.0
189.16397	3.7
193.12329	7.2
197.13312	4.1
199.14758	3.9
201.16438	2.7
205.15961	2.9
209.13379	2.5
227.12788	20.7
233.15436	2.5
243.21135	3.6
247.17023	2.7
261.22095	12.4
267.15918	24.4
277.21524	2.8
279.23236	3.3
285.22116	5.9
299.23761	3.5
301.25229	21.0
303.23288	2.6
317.24741	3.4
335.25833	13.1
359.26410	2.8
403.24646	2.7
435.27350	3.9
435.32678	9.9
453.33557	16.1
468.73541	2.4
471.34500	13.7
471.53708	2.3
506.94052	2.9
509.36087	4.9
527.37372	63.2
545.38403	100.0
546.38727	3.4
569.56769	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.2
55.01870	6.4
55.05272	2.9
55.05518	38.6
56.51947	1.8
57.03435	8.5
57.07063	4.1
65.03934	3.8
67.05512	75.8
69.03428	4.7
69.07075	15.2
71.05027	4.0
71.05832	4.1
79.05072	4.1
79.05502	48.8
79.15479	2.1
81.03433	28.1
81.06590	3.9
81.07068	73.1
83.04996	5.1
83.08635	20.9
85.06547	4.3
91.05492	35.8
93.07054	43.9
95.04977	21.5
95.08623	47.2
97.06529	3.2
97.10186	26.1
103.05418	2.3
105.07038	31.6
107.04964	7.3
107.08607	28.7
109.06510	8.2
109.10168	28.6
111.04391	2.2
111.08079	6.0
117.07027	16.3
119.08592	29.0
121.06514	10.6
121.10149	24.0
123.08103	6.7
123.11728	12.6
125.09680	19.2
128.00542	2.2
128.06218	3.0
129.07030	11.0
131.08594	27.0
133.10147	21.3
135.08073	7.3
135.11713	17.7
137.09671	4.0
142.07777	2.7
142.87045	2.1
143.08559	9.2
145.10135	18.7
147.11710	17.3
149.09596	4.2
149.13321	7.5
155.08601	5.9
157.10172	11.2
159.11708	15.4
161.09666	4.0
161.13292	8.1
163.11166	4.1
163.14856	3.9
165.12758	3.1
169.10133	5.4
171.10355	2.9
171.11723	7.8
173.09747	3.4
173.13223	13.6
175.11230	6.0
175.14893	3.1
177.12712	2.2
181.10164	3.7
183.11740	5.4
185.13292	6.6
187.14859	7.5
189.11273	8.1
189.12880	3.0
192.18597	2.1
193.12267	12.9
197.13304	3.6
199.14799	3.4
209.13380	2.4
211.13243	2.7
211.14998	2.2
225.16341	2.1
227.12776	12.3
233.15321	2.9
243.21297	4.0
261.22180	18.3
267.15912	25.9
273.18521	2.3
279.23267	2.2
285.22192	5.1
287.20056	2.1
299.23495	2.9
301.25247	23.0
303.23288	3.2
317.24860	2.6
335.25922	19.4
359.25708	4.0
417.26080	2.2
417.31201	2.8
421.26025	5.1
435.27487	2.9
435.32651	8.8
453.33609	18.0
471.34692	12.7
491.34827	2.8
509.36295	4.7
527.37421	61.1
545.38409	100.0
546.38715	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	544.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.5
53.13639	1.0
53.21770	1.0
55.05515	45.3
65.03941	1.7
67.05498	2.4
69.03436	11.1
69.63877	5.4
78.97646	1.2
79.05484	3.4
81.07046	2.7
82.06578	1.5
83.04987	47.4
84.04510	12.1
91.05491	26.5
93.07040	7.4
94.06559	2.1
95.04961	4.8
95.08646	1.7
97.02881	2.3
97.06540	2.2
98.20779	1.2
103.05487	9.9
105.07042	10.7
105.08145	1.1
107.04971	5.8
107.08558	1.1
109.06506	2.2
112.03973	1.5
113.06033	2.7
115.05430	2.0
117.07026	5.3
118.06572	2.2
119.04942	2.2
119.07357	2.6
119.08579	4.7
120.08109	27.4
121.06507	9.3
123.04404	2.7
123.08059	2.0
128.06276	3.0
129.07004	6.3
130.05014	11.7
130.06476	7.2
131.04932	4.4
131.07341	1.2
131.08571	3.2
132.08087	3.2
133.06442	2.3
134.09653	1.2
135.04424	7.3
135.08046	2.0
137.05969	2.6
137.09566	1.2
141.07034	3.5
143.07515	1.5
143.08521	5.3
144.08092	2.2
145.06490	5.3
145.10109	3.8
146.09618	11.1
147.04439	2.0
147.08061	5.1
149.06000	5.1
149.07021	1.1
151.07538	2.9
153.06989	1.7
154.07791	2.4
155.08545	2.9
156.08102	27.3
156.09308	2.4
157.08939	1.5
158.07315	1.3
159.08092	3.3
161.05959	2.1
161.09660	3.9
163.07567	3.0
166.08646	6.5
167.07031	3.8
167.08336	1.3
169.10139	5.8
170.09715	1.3
171.08035	4.7
172.11232	2.3
173.06010	2.4
173.09651	6.0
174.09161	13.3
175.07516	1.9
179.08687	1.4
180.06589	2.5
185.09642	1.3
187.07600	1.2
187.11160	4.3
189.09132	2.3
190.08620	1.8
191.07037	3.4
192.10161	2.8
197.09641	6.9
199.07512	1.4
200.10735	1.5
201.09100	4.0
202.12448	1.2
205.08588	2.1
213.08939	2.0
215.10747	7.4
217.08578	2.8
218.11740	2.8
219.10167	1.2
220.09709	20.8
221.10352	2.5
225.09006	1.5
230.11763	5.7
231.10088	1.9
233.11710	2.7
243.10167	9.5
246.11171	1.2
254.69142	1.2
261.11237	100.0
277.13052	1.8
279.12286	17.3
283.67563	1.4
295.14047	8.0
380.18604	4.8
398.19638	13.3
408.18048	2.0
414.19125	3.8
416.20557	6.2
426.19092	22.0
444.14087	2.4
444.20212	48.4
445.20181	1.4
462.21259	1.6
498.24936	1.7
526.24719	1.9
544.25476	11.9
544.38763	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	543.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.5
53.03941	4.1
55.01870	3.7
55.05513	13.6
57.03448	2.4
57.07063	1.5
62.64702	0.4
65.03942	3.0
66.67820	0.5
67.05508	37.9
69.03430	2.2
69.07072	9.4
69.19794	1.4
69.20210	2.7
71.04992	2.8
73.02925	1.2
73.61494	0.3
74.39613	0.4
76.35093	0.5
77.03934	0.9
79.05497	48.5
81.03428	1.7
81.07062	35.7
83.04977	3.6
83.08624	8.8
85.06579	1.1
91.04900	0.6
91.05487	22.0
93.07049	58.8
94.07386	0.5
95.04969	7.5
95.08614	47.6
96.08936	0.5
97.02895	3.6
97.06528	4.0
97.10168	1.7
99.04476	3.1
103.05461	1.5
105.04575	2.7
105.07036	16.5
107.04292	0.8
107.04964	8.4
107.08599	36.9
108.08904	0.4
109.06509	2.2
109.10162	7.6
111.04459	1.0
111.08079	1.4
113.09595	0.5
115.05420	1.1
117.07027	12.2
119.08588	14.2
119.71018	0.4
121.06525	5.3
121.10149	19.7
123.08076	1.1
123.11703	1.5
125.06015	2.3
125.09613	0.7
128.06241	0.7
129.07022	1.0
130.07797	2.2
131.08568	6.0
133.03717	0.4
133.10146	6.4
135.08047	1.9
135.11699	47.7
139.07568	1.6
143.08575	2.1
145.06456	0.5
145.10129	26.9
147.11659	2.4
149.13260	2.8
153.12759	1.2
155.08614	0.4
159.11700	2.9
161.13222	2.1
163.11189	51.6
169.10234	0.5
171.11679	0.5
173.09682	0.5
173.13243	1.8
175.14877	0.5
181.12242	12.5
185.13307	0.6
187.14815	1.3
201.16414	0.5
209.11644	2.8
227.12791	100.0
228.13112	0.8
243.21165	1.8
261.22198	6.3
283.15482	1.1
299.24002	0.6
317.24918	2.0
542.54199	1.1
543.36786	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	543.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.2
55.01867	3.5
55.05513	16.2
57.03432	2.3
57.07076	1.0
65.03931	2.9
67.05511	36.5
69.03427	1.7
69.07072	10.6
70.08290	1.7
70.08684	2.0
71.04994	3.4
73.02941	1.6
79.05499	48.1
81.03438	1.8
81.07063	39.1
81.76733	0.9
83.04990	3.9
83.08623	9.3
84.83639	0.8
85.02896	1.3
85.06550	1.7
91.05486	24.0
93.07051	56.8
95.04967	7.3
95.08614	40.4
97.02900	3.0
97.06537	6.0
97.10177	2.5
99.04473	2.6
103.05476	1.3
104.10761	1.6
105.04527	1.7
105.07037	15.6
107.04952	7.8
107.08599	34.3
109.06535	3.2
109.10162	9.1
111.04494	1.1
111.08086	2.1
115.05484	1.2
117.07034	12.0
119.08585	14.9
121.06524	4.9
121.10153	20.6
123.11726	2.4
125.06003	3.0
125.09630	1.0
129.07033	1.7
130.07776	1.1
131.08568	8.5
133.10144	7.8
135.08075	2.6
135.11700	42.1
137.13216	0.9
139.07538	1.7
143.08582	2.4
145.10138	26.7
147.11705	3.6
149.13277	3.7
155.08516	1.5
157.10158	1.2
159.11668	4.0
161.13295	2.8
163.11200	51.8
171.11736	1.6
173.13286	4.0
175.14789	0.8
181.12259	14.3
183.11670	1.3
183.17316	0.9
187.14943	1.0
199.06279	0.8
209.11740	3.3
227.12794	100.0
233.22675	1.0
243.21063	1.9
257.02606	0.9
261.22147	11.0
275.19843	1.2
299.23688	1.1
305.27390	0.9
317.24811	3.3
333.15240	1.0
399.25262	1.4
451.32251	1.7
469.32880	1.1
484.25470	2.0
525.35870	2.9
543.36877	64.9
544.37695	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.01869	2.2
55.05269	1.4
55.05515	18.1
57.03429	3.0
57.07075	2.0
65.03924	3.8
67.05508	41.2
69.03422	2.4
69.07062	10.5
69.88457	4.2
69.88870	2.0
71.04976	3.2
77.03925	1.2
79.05495	55.4
81.03416	2.5
81.06592	2.0
81.07059	40.5
83.04983	3.6
83.08618	10.7
85.06522	1.8
85.66338	1.2
91.05479	31.1
93.07047	68.5
95.04984	8.4
95.08607	46.9
97.02888	3.7
97.06534	6.6
97.07055	1.1
97.10160	2.7
98.21466	1.9
99.04453	3.0
103.05461	1.9
105.04514	2.1
105.07034	19.3
107.04959	7.7
107.08598	37.7
109.06522	3.3
109.10140	9.7
111.08083	1.5
113.06011	1.2
115.05490	2.2
117.06230	1.5
117.07019	17.2
119.08585	18.4
121.06537	4.9
121.10151	24.9
123.08135	1.4
123.11696	1.6
125.06003	1.8
129.06995	2.4
130.07784	2.1
131.08557	12.6
133.10129	10.7
135.08064	1.8
135.11697	51.0
137.09633	1.2
138.52390	1.0
138.86435	1.1
139.07556	1.2
139.11182	1.0
143.08568	2.9
145.10120	33.4
147.08092	1.3
147.11678	3.9
149.09596	3.5
149.13275	3.8
151.11166	1.0
153.12761	1.2
155.08577	1.5
155.18335	1.0
157.10193	1.2
159.11682	4.6
161.13258	1.7
163.11186	55.3
171.11755	1.3
173.09622	1.8
173.13293	4.1
181.12210	11.6
187.14836	2.3
191.10680	2.1
199.14769	1.4
209.11710	4.0
227.12781	100.0
243.21173	1.8
261.22113	6.9
265.14563	1.2
317.24902	2.8
469.33078	1.7
525.35626	3.0
543.36835	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	543.2215
Annotation	(7R,8S)-7'-Deoxo-2'-deoxy-2',3':7,8-diepoxy-7',5'-(ethylideneoxy)verrucarin A
Peak:m/z	Relative Intensity
55.05508	2.2
56.96566	5.2
69.03412	2.1
70.06603	2.6
71.51315	2.1
83.04973	2.6
91.94862	1.9
95.04962	2.4
105.07101	1.9
109.10273	2.3
112.86505	2.2
120.58582	2.0
191.10710	2.1
223.89066	1.9
231.63788	2.0
261.11450	2.0
262.78989	2.3
267.87213	1.9
295.15955	6.2
333.96689	2.2
336.45047	2.1
337.17047	7.0
499.23114	7.6
525.21027	4.3
543.22119	100.0
543.31262	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.1
53.03946	5.3
55.01874	3.4
55.05517	16.4
57.03414	3.0
57.07063	1.4
59.88489	0.7
60.66320	0.6
65.03913	2.9
67.05510	40.9
69.03413	1.8
69.07072	11.4
69.15095	1.1
69.15504	6.6
71.04972	2.8
73.02900	1.0
74.63103	0.6
77.03922	1.0
79.05497	51.0
81.03432	3.2
81.07063	37.7
83.04989	4.7
83.08627	10.4
85.06550	1.4
91.05483	27.4
93.07049	58.8
95.04482	0.8
95.04984	9.2
95.08612	46.2
97.02862	3.1
97.06532	3.3
97.10176	1.8
98.21527	1.4
99.04454	3.3
99.08082	0.8
103.05467	1.7
105.04494	1.7
105.07039	18.8
107.04967	9.8
107.08600	40.3
109.06500	2.1
109.10172	8.7
111.04445	0.9
111.08073	1.7
113.09618	0.8
115.05446	1.4
117.07027	12.8
119.07719	0.9
119.08582	17.8
121.06503	5.4
121.10155	23.6
123.08064	1.2
123.11698	1.9
125.05981	3.1
125.09693	1.3
129.06992	1.9
130.07741	1.4
131.08575	9.1
133.10146	7.2
135.08041	2.5
135.11697	43.6
139.07498	1.4
143.08560	2.7
145.06488	0.8
145.10130	28.4
147.11687	2.6
149.09622	0.8
149.13220	3.1
153.12782	1.0
155.08534	1.7
157.10106	1.9
159.11720	3.7
161.13214	1.8
163.11188	55.1
164.11612	0.7
171.11685	1.5
173.09599	2.1
173.13252	3.0
175.14915	1.0
181.12238	13.3
185.13272	1.0
187.14853	1.4
193.12344	0.9
209.11688	2.6
227.12793	100.0
243.20984	1.6
261.22153	6.7
265.14380	0.9
317.24896	1.9
403.85388	0.7
433.30795	1.2
451.31976	1.3
469.33548	1.0
525.35553	2.8
543.36859	57.0
544.37604	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01367	1.1
59.58223	1.0
59.87796	1.1
62.73896	1.2
70.81205	3.2
72.00662	1.2
95.56112	1.2
106.04707	1.1
167.04915	1.3
381.07901	18.3
410.05942	1.4
543.13318	100.0
544.13300	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	543.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02606	0.4
69.62530	0.9
69.62940	1.8
74.09691	0.5
81.59650	0.4
85.73628	0.5
93.40115	0.5
94.93016	3.5
95.58539	0.4
96.92818	0.6
102.07500	0.5
112.89619	2.8
114.89351	0.6
156.04218	8.1
158.04071	0.8
164.93544	0.8
165.69102	0.4
180.93033	1.2
182.92815	0.4
200.07784	1.1
201.08020	1.3
219.08879	0.5
226.97258	1.3
230.88643	1.6
248.89691	0.8
261.10120	0.7
264.83911	0.5
316.92810	0.5
363.07028	1.0
381.07947	18.2
382.08582	0.5
394.98099	0.5
543.13239	100.0
544.13190	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	543.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.9
57.07106	0.6
69.42582	2.0
69.43001	2.3
70.06602	1.0
79.05500	0.8
80.96278	0.5
82.31047	0.6
83.04993	1.2
91.05523	0.6
95.89079	0.6
98.21530	0.7
105.07072	0.7
107.08631	0.9
127.03862	0.8
134.58418	0.5
148.08430	0.5
163.07646	0.6
207.12340	1.1
227.10423	0.6
234.93124	0.6
251.11316	1.0
269.12454	2.0
298.17072	0.7
305.17413	1.6
307.14740	0.6
349.16226	1.1
367.17212	8.0
377.14487	0.8
409.18469	1.3
481.20453	4.4
483.17496	1.6
525.19373	0.9
543.20508	100.0
544.20728	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	542.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.7
57.07080	33.4
60.08160	1.1
67.05511	5.5
68.05819	1.0
69.03441	0.9
69.07056	3.6
71.04971	0.9
71.08245	1.4
71.08636	24.1
73.02954	1.0
73.06568	8.2
77.98249	1.0
79.05490	4.3
81.03399	1.2
81.07058	4.1
83.04980	1.2
83.08616	3.6
85.09726	1.6
85.10194	19.6
87.04477	4.9
89.06038	100.0
91.05489	3.3
93.07060	4.6
95.04958	1.4
95.08598	2.6
97.10168	4.4
98.20708	1.5
99.11752	5.1
100.02543	1.1
105.07035	3.6
107.04987	1.0
107.07084	1.5
107.08599	2.9
109.10143	2.4
117.07016	1.0
117.09164	5.9
119.08565	2.3
121.10169	2.3
127.11298	1.2
129.06973	1.3
130.08647	1.6
131.07047	1.8
131.08582	1.9
133.08612	49.0
133.10112	1.8
135.10187	1.1
135.11792	1.5
143.08470	1.0
145.10159	2.0
147.08066	1.0
147.11694	1.3
155.17964	4.1
157.10139	1.4
157.39058	1.1
161.11746	0.9
163.11217	1.6
171.11758	1.4
177.11234	19.6
199.20595	4.2
221.13841	3.2
227.12871	1.2
239.14996	1.7
243.23178	7.0
261.48203	1.1
265.16467	1.0
283.17514	2.3
287.25897	4.4
309.41672	0.9
327.20316	1.2
371.22766	5.8
525.40234	6.8
542.35455	4.1
542.43030	1.5
543.36957	6.8
548.76312	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.8
55.01880	2.0
55.05517	72.5
56.05045	11.3
67.05496	2.5
68.05036	1.3
69.03428	10.3
70.06589	2.0
70.67643	4.2
71.04984	2.0
79.05502	5.2
81.03410	2.2
81.07050	2.4
82.06569	4.7
83.04987	100.0
84.04506	5.6
84.08147	2.2
85.02885	2.1
86.06095	2.6
91.05492	9.5
93.07057	3.8
94.06573	7.1
94.86025	1.3
95.04964	4.8
96.08128	4.8
97.02904	2.0
97.06525	1.4
100.07647	2.3
102.05555	8.9
103.05447	3.6
105.07039	8.7
106.06586	1.6
107.04944	3.3
108.08129	6.0
109.06503	2.5
110.06036	5.8
112.07627	3.0
114.05531	6.3
115.03954	2.2
115.05445	4.3
117.07008	5.2
118.52670	1.4
119.08582	5.1
120.08106	3.8
121.06512	6.0
122.09688	1.9
128.06215	4.0
128.07101	10.7
129.07027	4.6
131.08565	4.5
132.08093	2.8
133.06497	4.1
134.09676	2.2
135.04402	2.6
136.07655	1.8
141.06984	2.7
142.07780	2.5
143.08566	6.3
145.06439	5.1
145.10117	3.7
147.08041	4.5
149.06012	3.5
154.08722	2.6
155.08580	3.3
156.06558	15.4
158.09663	3.0
159.08046	2.9
159.11615	1.8
161.09663	1.7
162.09244	2.4
163.07599	3.5
164.07095	3.0
166.08646	5.4
167.07124	2.2
169.10147	4.4
171.08055	3.6
173.09598	6.0
175.07529	2.7
178.08656	2.9
182.08134	2.9
184.09705	2.5
185.09608	2.5
187.11157	2.3
189.09163	3.1
191.07056	2.5
191.45248	1.4
197.09683	4.9
199.11232	2.7
201.09081	3.0
204.10239	2.3
205.08508	1.7
207.10118	1.5
213.09064	2.4
215.10687	6.6
217.08586	7.0
225.09105	1.7
228.10474	1.7
233.11824	2.4
243.10213	10.3
250.10706	1.5
261.11279	24.6
272.12848	3.3
279.12332	4.9
290.13974	4.7
304.15421	3.3
316.15350	3.2
318.17264	2.0
326.14093	2.2
332.14871	1.7
334.16586	6.1
344.14932	7.3
361.16504	14.6
362.16022	34.3
368.52597	1.6
380.17032	28.7
434.21783	1.9
444.20309	2.4
450.20813	2.3
462.21304	39.1
463.85910	1.6
480.22333	82.1
481.22540	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	542.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01870	2.8
55.05519	59.4
56.05042	10.0
57.03441	1.4
61.66527	1.1
64.58794	1.3
64.86627	1.1
67.05511	4.8
68.05032	5.8
69.03436	11.4
69.05814	1.1
69.49433	0.9
70.06593	3.7
70.80630	2.6
71.04984	1.4
79.05495	3.7
81.07057	3.0
82.06596	4.3
83.04992	60.2
84.04515	13.2
85.05293	8.6
86.06092	9.8
91.05495	9.9
93.03496	1.3
93.07047	5.2
94.06570	2.5
95.04992	5.3
95.08613	2.3
96.04509	2.5
96.08149	1.7
97.02911	1.9
97.06530	1.7
98.06058	2.9
100.07634	1.9
102.05558	14.6
103.05452	1.7
105.07047	7.2
105.46807	1.1
105.73903	1.1
107.04963	2.5
108.08136	2.9
109.02859	1.2
109.06554	2.3
109.10227	1.2
110.06033	10.2
111.04491	2.0
111.06847	2.0
112.07601	5.0
113.06060	2.5
114.05544	37.0
115.05485	2.7
117.07005	6.5
119.04967	2.3
119.08558	3.5
121.02918	1.5
121.06495	7.6
123.04436	1.5
123.08154	1.3
126.40970	1.1
128.06183	2.9
128.07074	15.1
129.07027	5.9
131.08548	4.5
133.06522	3.9
133.10152	1.3
135.04451	3.8
135.08055	2.0
136.70683	1.1
137.05981	2.0
138.05516	2.3
141.06978	2.7
142.07774	2.5
143.08598	4.9
145.06534	5.2
145.10149	3.9
146.09682	1.1
147.08081	5.9
149.06004	3.9
151.07573	2.6
154.07713	2.3
155.08577	4.7
156.06567	35.7
157.07416	9.1
157.10110	2.1
159.08061	5.0
159.11688	1.4
161.09636	2.7
163.07579	1.9
166.08698	2.3
167.07057	1.9
167.08565	2.2
169.10115	5.9
171.08090	4.9
173.09659	6.6
175.07613	2.0
178.08647	1.6
179.08612	1.1
187.11259	2.4
189.09187	3.0
191.07043	3.0
191.37177	1.1
197.09657	8.3
199.11172	1.6
201.09090	4.2
202.08557	1.4
205.08682	3.0
215.10670	7.6
217.08569	3.3
219.10129	2.1
225.09064	3.5
227.07428	1.3
230.11826	1.3
231.10133	2.8
233.11714	2.9
243.10188	9.6
250.10674	1.1
261.11243	100.0
262.11600	1.5
272.12680	1.4
279.12354	16.0
288.16058	1.4
290.13879	4.3
304.15442	1.4
308.14972	11.6
328.29074	1.4
332.15112	1.1
334.16495	4.1
350.16113	1.8
352.17517	3.0
362.15991	30.2
380.17065	72.0
381.17514	1.5
398.18198	1.9
399.15149	1.4
453.92123	1.2
462.21188	4.4
480.22311	50.9
542.24023	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82142	0.7
53.00336	0.8
53.03942	2.8
55.01880	4.6
55.05515	2.4
57.03436	2.8
61.02934	1.8
65.03959	1.4
67.05507	2.1
68.99792	1.4
69.03439	10.3
69.07063	1.2
70.06577	0.8
70.10269	2.1
70.10680	2.7
71.04977	2.0
73.02907	2.9
81.02995	1.0
81.03428	11.2
81.07057	1.1
85.02914	25.2
87.00826	9.6
91.05488	16.5
93.07032	1.4
95.08598	1.0
97.02903	10.4
99.04454	4.9
103.05441	1.0
105.01875	8.7
105.07034	2.7
107.08606	1.3
108.04467	2.6
108.93365	0.9
109.02882	13.4
115.05445	1.1
117.01907	1.2
119.04132	1.4
119.04956	23.4
119.08594	1.2
126.05525	1.7
127.03928	21.4
128.22806	0.8
133.06514	7.5
145.04987	8.8
145.06129	1.2
145.06516	1.3
147.04422	100.0
153.05504	4.8
153.06981	1.1
157.06512	1.6
159.02895	7.2
159.04059	1.3
161.05977	5.2
169.04921	1.6
172.02972	0.9
173.05975	2.0
176.05252	0.9
179.07047	91.1
180.07733	2.7
181.10143	1.1
191.07027	3.6
193.08546	1.0
199.11157	1.1
203.07069	2.0
209.09630	1.0
213.03983	0.8
217.08623	1.5
221.08060	3.4
227.10724	4.2
230.06683	1.2
230.09311	1.2
230.57474	0.9
231.05081	4.6
241.12274	1.2
245.08121	1.2
248.07701	1.9
259.13327	36.5
277.14481	0.9
287.09161	1.0
301.03278	1.0
391.10376	1.0
517.03522	0.8
542.27368	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82391	1.0
54.26446	0.9
56.96547	1.3
69.68195	3.0
69.68597	2.0
79.05498	1.2
85.02913	2.0
91.05489	1.6
93.07043	1.9
98.21463	1.9
98.97590	2.6
103.05482	6.7
107.04966	1.9
113.55772	0.9
119.04980	1.4
120.08121	100.0
122.66992	1.0
127.03884	1.3
131.04907	2.5
136.06161	2.4
137.05998	1.5
147.04379	2.8
149.05968	1.9
166.08664	48.2
179.07080	3.3
183.54518	1.0
189.27057	1.0
237.02788	1.3
366.39490	1.0
437.60745	1.0
528.19696	1.0
538.90930	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.9
51.02386	1.6
53.03946	10.3
55.01863	3.5
55.05512	27.6
57.03429	2.9
57.07076	8.7
65.03945	6.9
65.13865	0.9
67.05508	80.4
69.03419	1.8
69.07066	19.1
70.06599	7.4
71.04988	3.3
71.08636	4.7
73.06544	1.7
77.03920	2.5
79.05495	100.0
81.03423	8.5
81.07057	75.1
81.07764	1.2
82.07387	1.2
83.04981	11.6
83.08624	8.5
85.06538	3.3
85.10188	1.3
87.04504	0.8
88.07629	6.9
91.05483	70.2
93.07047	86.2
95.04979	19.6
95.08607	42.0
96.85780	0.8
97.06540	5.9
97.10181	3.2
98.21592	1.7
102.09166	6.3
103.05482	2.7
103.09569	1.2
105.04513	6.2
105.07031	51.2
107.04972	5.2
107.07872	1.7
107.08600	33.9
108.57655	0.7
109.06512	5.6
109.10155	14.3
109.85798	0.7
111.08077	2.3
115.05463	2.3
115.32575	0.8
117.07022	13.9
119.08587	34.4
121.06515	3.0
121.10148	21.2
123.08080	6.0
123.11728	2.1
125.09561	0.9
127.07576	1.6
128.06226	2.9
129.07005	16.9
129.07918	1.1
130.07883	1.3
130.29233	0.7
131.08575	12.5
133.10130	18.1
133.11092	1.1
135.11694	13.8
137.09587	1.5
137.13284	1.0
141.06995	1.1
141.08963	1.1
142.07777	1.3
143.08574	12.0
145.10132	14.6
147.08116	1.8
147.11687	35.9
149.13281	3.7
155.08566	2.5
157.10074	4.1
159.11661	7.0
161.09639	3.2
161.13263	13.6
163.11195	1.2
163.14848	1.2
168.96297	0.9
169.10219	4.3
171.11690	29.0
171.13176	1.6
173.13297	5.7
175.14844	1.8
177.16479	1.1
179.14301	1.3
181.10149	1.4
183.11667	1.9
185.13312	2.3
187.14822	1.9
189.12735	10.7
195.11696	1.3
197.13242	2.7
199.14847	1.1
201.16486	1.8
207.13809	24.4
225.14854	1.7
243.21089	1.6
256.26382	12.5
257.26682	6.3
261.22137	5.0
274.27530	1.9
281.17603	2.5
281.76917	0.9
283.26398	2.6
284.26767	1.6
284.29575	2.7
285.29852	2.3
311.29483	9.7
312.29797	9.5
317.24738	1.5
431.33136	1.2
449.34149	3.6
467.35495	1.6
523.37982	2.0
540.53491	11.4
541.25647	2.5
541.39008	88.5
541.53644	41.5
542.39423	2.8
569.84045	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.0
53.03949	10.3
55.01876	2.8
55.05275	1.7
55.05518	26.6
57.03437	2.4
57.07076	6.6
59.05017	1.4
65.03944	4.2
66.01184	1.2
67.05511	83.9
69.03429	1.5
69.07074	22.5
69.55299	1.4
70.90421	2.9
71.05001	4.1
77.03940	2.2
79.05499	100.0
81.03424	9.9
81.07063	72.0
83.04987	12.7
83.08633	11.0
85.06576	2.6
88.07642	2.1
91.04902	2.7
91.05489	74.8
93.07053	93.8
95.04972	22.7
95.08615	49.1
97.06541	7.5
97.10201	4.5
99.08110	1.3
103.05542	1.4
105.04543	4.1
105.07040	48.0
107.04983	6.3
107.08607	39.2
109.06529	5.6
109.10175	15.7
111.08078	2.6
115.05470	1.9
117.07030	16.1
118.47893	1.3
119.08592	33.8
121.06526	3.0
121.10152	19.2
123.08097	4.5
123.11729	3.9
127.07574	2.2
128.06230	4.2
129.07019	18.0
131.08578	18.7
133.06551	1.5
133.10127	17.4
135.11690	13.8
137.09721	1.7
139.11171	1.7
141.06995	2.7
141.09200	1.5
142.45218	1.2
143.08565	14.8
144.09402	1.3
145.10132	18.3
147.08057	2.9
147.11702	30.6
147.12799	1.6
149.13321	5.0
151.11174	1.2
155.08603	4.1
156.09470	1.4
157.10149	7.0
157.40610	1.4
159.11703	7.5
161.09703	3.7
161.13275	12.8
169.10132	6.7
171.11708	28.6
173.13231	7.4
175.14873	2.7
179.14348	1.9
181.10210	1.9
183.11772	3.7
185.13319	3.0
187.14845	2.0
189.12724	10.8
195.11781	1.9
197.13322	3.0
199.14961	1.8
204.11050	1.4
207.13829	23.8
211.14850	1.9
213.16463	1.8
219.97246	1.4
225.14857	2.4
243.21182	2.7
256.26456	1.7
259.20810	1.7
261.22177	6.4
281.17548	1.6
283.26321	1.3
311.29688	1.5
312.29861	1.7
317.24973	1.6
386.07675	1.2
403.29315	1.4
431.33426	2.4
449.34021	6.2
467.35214	1.8
485.36002	1.6
523.37939	3.7
540.54120	2.0
541.39081	92.5
541.53998	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	541.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.7
55.01860	6.8
55.05519	14.9
57.07054	4.2
67.05505	19.3
69.03424	25.0
69.07062	10.8
69.28683	23.8
69.29089	4.7
71.04997	11.6
79.05496	19.7
81.03430	14.3
81.07064	37.5
83.04993	8.2
83.08631	7.1
85.02912	29.7
85.06537	10.4
87.00824	11.1
91.05499	18.5
93.07056	41.6
95.04973	8.6
95.08611	35.1
97.02871	5.6
97.06516	8.2
97.10144	4.8
99.04450	8.7
99.08125	7.0
105.01879	4.5
105.07038	29.2
107.08598	60.3
109.02874	9.0
109.06514	11.5
109.10159	28.1
111.08072	4.3
113.09636	10.5
117.06999	3.7
119.08591	46.7
121.06520	18.6
121.10149	39.1
123.08080	40.1
123.11698	10.2
125.09629	10.3
127.03925	14.7
129.07042	3.1
129.58742	2.7
131.08572	16.3
133.10141	28.1
135.08072	62.9
135.11697	12.1
137.09636	27.2
139.11165	5.3
143.08569	8.0
145.04990	4.1
145.06450	3.1
145.10149	25.3
147.08051	10.5
147.11671	14.8
149.09650	29.7
149.13281	3.7
151.11157	4.4
153.09137	2.8
156.09326	3.6
157.10129	11.2
159.08076	6.8
159.11708	22.0
161.09586	12.8
161.13287	8.3
163.11162	23.8
165.09142	41.8
167.10695	6.2
169.10121	6.0
171.11674	10.7
173.09624	5.6
173.13269	19.1
175.11168	9.2
175.14786	10.2
177.12694	3.9
183.11694	4.7
187.11214	5.8
187.14848	6.2
199.14845	9.3
201.12703	3.0
205.05220	3.8
205.12396	3.4
215.14445	6.8
215.17938	11.1
217.15898	5.7
227.17990	3.6
229.19513	5.8
231.04912	3.4
233.15353	7.6
233.18961	22.1
239.18011	3.8
245.18974	4.9
257.19016	22.5
263.20071	24.5
275.20087	100.0
293.21121	87.2
497.21649	6.5
541.20715	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44878	0.8
69.03413	1.4
69.78118	4.3
70.06593	1.5
83.04992	1.4
85.02897	2.4
91.05479	3.0
95.04936	1.1
98.21488	1.2
103.05473	7.5
115.05444	1.0
117.07052	2.0
119.04977	2.3
121.06493	1.3
122.03677	1.4
123.08101	1.3
127.03851	1.4
128.06247	1.4
129.07018	0.9
131.04027	1.5
131.04936	15.4
135.08124	1.4
137.05988	22.9
149.06039	1.3
151.07541	13.0
157.06525	1.3
161.05991	3.5
162.06757	2.3
163.07553	39.3
165.09100	1.2
167.08589	1.2
175.07553	3.7
177.09122	100.0
178.09259	1.0
189.09163	2.8
195.08087	2.9
195.10094	1.9
203.10603	1.2
212.03534	0.8
221.09662	1.7
221.11719	14.0
225.09090	1.7
227.10683	3.3
237.36113	0.8
253.08643	1.3
253.12134	2.1
255.10178	2.9
267.10190	1.5
285.11185	3.0
287.12808	6.3
311.12933	1.9
313.14270	4.8
331.15445	14.0
343.15421	2.4
356.45273	1.0
378.08972	1.3
402.53445	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42053	0.9
53.03957	0.8
69.03436	1.3
69.38095	5.8
69.38507	1.5
70.06593	2.7
80.30988	0.9
84.04511	1.7
85.02907	4.5
86.06070	1.5
91.05509	1.3
95.04950	0.8
109.02906	1.2
114.05531	2.7
114.87402	1.0
122.17970	0.8
128.06238	1.5
129.07008	9.7
131.04932	2.8
131.08598	7.1
137.05959	4.8
141.06984	6.6
145.06496	1.9
146.07365	1.1
151.07568	2.0
156.06580	1.2
157.06483	7.0
158.07269	3.0
159.08104	6.2
169.06525	3.9
170.07292	1.8
174.06783	15.5
175.07550	2.9
186.06726	3.9
188.08362	1.9
189.09116	25.3
191.10696	2.9
201.09111	8.7
207.10139	1.5
219.10176	100.0
238.77483	0.9
302.39117	0.8
350.79208	0.9
378.15472	1.4
381.15292	1.5
478.20602	1.4
540.24506	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70506	0.7
68.89113	0.8
70.06595	1.6
71.05013	0.8
71.49910	1.0
82.02930	1.4
84.08144	0.8
85.02912	1.0
86.15581	0.6
100.58153	0.6
114.05540	13.0
124.05082	3.0
137.02353	1.5
138.01825	0.7
142.05014	2.5
142.06052	0.8
149.04605	7.2
166.07260	100.0
167.05652	1.2
167.07542	0.7
169.04970	7.7
174.07632	1.9
180.02933	1.1
182.08147	1.1
212.05540	0.7
216.08827	2.5
216.91005	0.7
224.07861	0.8
244.08250	5.9
258.45291	0.6
266.06885	0.8
298.11606	4.9
391.13605	3.0
409.14703	23.5
541.12341	1.1
541.19373	3.2
553.25525	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.3
55.01870	9.3
55.05514	29.4
57.03435	10.4
57.07079	71.6
65.03946	4.8
67.05513	69.8
69.03421	4.1
69.07076	25.9
69.15545	5.6
69.15942	32.3
71.04980	5.8
71.08634	40.1
73.02921	3.6
78.06958	3.2
79.05505	48.2
81.03420	10.0
81.07066	79.9
82.07396	4.0
83.04977	9.8
83.08620	27.5
85.02897	3.6
85.10186	20.0
89.06018	8.8
91.05486	30.3
93.07063	59.2
94.07415	4.0
95.04957	14.7
95.08611	78.7
97.02896	4.7
97.06528	8.9
97.10159	13.3
99.04437	5.9
105.07025	25.6
107.04980	20.0
107.08611	43.0
109.06526	6.2
109.10184	25.1
111.04447	10.4
117.07029	16.4
119.08582	18.5
121.06498	7.4
121.10156	22.7
123.11665	9.2
123.61608	3.3
125.06027	4.7
130.07808	3.8
131.08543	11.1
133.06496	11.8
133.08612	7.3
133.10129	14.6
135.08003	5.0
135.11702	45.6
137.05984	11.7
137.13245	6.3
140.18994	3.6
143.08574	5.9
145.06482	5.3
145.10138	39.8
149.09605	3.5
150.79128	3.2
153.12709	3.9
155.08525	9.7
159.11644	3.7
160.87682	3.6
163.09882	4.4
163.11203	57.4
165.09108	11.6
173.09601	15.2
173.13287	4.3
181.12241	13.1
187.14839	3.6
191.10670	15.7
200.06898	3.8
209.11665	17.2
227.12801	100.0
235.18901	4.0
239.23660	8.5
243.15979	11.0
265.14401	15.2
283.15396	39.0
300.02188	3.9
313.27393	60.0
322.57672	3.7
324.07660	3.8
335.25787	5.0
336.26053	8.9
425.19443	3.9
496.23907	4.3
504.37643	13.1
511.26553	3.7
521.38477	51.9
539.25769	9.8
539.39417	45.2
540.53345	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	539.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24686	3.6
53.03927	4.9
53.51139	4.5
53.74477	3.8
55.01868	8.7
55.05512	30.8
57.03444	10.9
57.07086	58.3
61.47231	4.6
61.71526	4.7
67.05513	62.1
69.03437	9.6
69.07080	20.8
70.06602	21.2
71.04980	5.9
71.08640	39.6
71.51195	4.6
73.02919	9.5
79.05506	52.6
81.03416	10.8
81.07059	62.1
83.04997	14.7
83.08627	31.6
84.55334	4.0
85.02898	4.7
85.10178	24.5
91.05487	32.5
93.07050	54.9
95.04983	10.4
95.08611	70.1
97.02883	9.5
97.06522	5.0
97.10196	13.3
99.04465	5.4
103.05454	5.0
105.07049	15.8
107.04968	15.7
107.08602	45.7
109.02891	8.5
109.10177	24.2
111.04458	13.6
116.07124	18.8
117.07034	18.5
119.08608	18.2
121.06503	4.6
121.10169	22.6
123.11717	12.6
125.09662	4.6
127.03931	6.4
131.08574	8.7
133.10144	7.8
135.11728	40.8
137.13322	5.7
145.10129	40.5
155.08557	5.3
159.11577	4.1
163.11230	58.2
173.09634	13.4
181.12280	12.0
191.10703	9.1
209.11758	11.3
213.65788	4.0
227.12808	100.0
239.23672	15.0
283.15399	43.1
313.27390	86.1
380.56790	4.8
446.18127	4.7
458.13892	4.6
521.38440	55.1
539.30975	4.8
539.39355	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	539.2656
Annotation	Okaramine P
Peak:m/z	Relative Intensity
55.05519	1.8
57.03421	0.5
57.07086	3.4
64.79980	0.5
67.05511	4.5
69.07072	1.4
70.30264	0.4
70.30741	0.5
71.04993	1.2
71.08643	2.2
71.50520	0.4
71.50993	0.8
78.83741	0.5
79.05502	3.0
81.03401	0.9
81.07046	3.7
83.05006	0.7
83.08630	2.3
85.02955	0.5
85.10194	1.4
89.06042	1.0
91.05482	1.9
93.07068	2.8
95.08606	4.0
97.10195	0.8
105.07062	1.3
107.04952	1.0
107.08616	1.9
109.10189	1.8
110.27556	0.5
111.04432	0.8
117.07047	0.8
119.08595	0.9
121.06590	0.6
121.10165	1.4
123.11735	1.2
131.08607	1.0
133.10149	0.6
135.11713	2.0
139.11169	0.6
145.10167	1.2
163.11211	2.1
165.05479	0.6
175.07619	0.7
189.05489	0.7
227.12782	3.4
239.23875	1.0
274.29681	0.5
283.15445	1.7
313.27347	2.4
326.16617	0.6
360.60034	0.5
363.16257	0.9
377.17719	2.4
378.18506	3.1
379.19232	1.3
391.19095	3.3
392.20056	3.7
393.20746	10.2
394.21271	0.7
405.20853	1.6
406.21545	1.8
407.22330	11.5
420.23254	0.7
421.23944	5.5
422.17462	2.0
422.24243	0.7
423.18219	2.9
436.18961	2.1
437.19785	9.0
438.20508	1.3
448.22751	1.2
451.21359	18.6
452.21725	1.5
465.22775	2.5
466.23615	1.4
473.19189	0.5
477.26309	3.5
479.24548	1.3
494.26407	0.6
495.20737	0.8
495.27399	5.8
503.24564	1.8
510.22745	3.4
521.25726	2.3
521.38300	1.9
539.26593	100.0
539.39899	5.0
540.26862	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	539.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.6
55.05514	14.6
55.80745	1.7
57.03422	7.2
57.07077	33.9
67.05191	1.7
67.05511	25.6
69.03419	1.9
69.07072	13.6
69.21070	14.9
71.04975	3.9
71.08279	2.7
71.08633	24.0
79.05498	23.9
79.87695	1.7
81.03439	2.8
81.07056	26.6
83.04977	3.0
83.08625	17.5
85.06515	2.4
85.10179	15.5
89.06004	3.0
91.05477	10.0
93.07053	33.2
94.04181	2.5
95.04954	6.4
95.08614	50.5
97.02904	1.6
97.06515	4.5
97.10152	4.1
99.04449	2.2
105.07018	7.5
107.04947	6.3
107.08604	25.2
109.06506	4.5
109.10166	12.4
111.04453	1.7
117.07011	9.6
119.08591	13.6
121.06509	4.8
121.10141	8.8
123.11706	4.6
125.05984	2.3
130.07767	2.7
131.08545	3.5
131.57719	1.8
133.08484	1.9
133.10155	4.6
135.11691	37.4
137.05957	6.3
143.08446	1.7
145.10129	24.4
163.11188	47.8
165.05487	4.2
171.11575	1.7
181.10690	1.7
181.12308	9.9
193.04976	2.5
204.82021	1.7
225.07491	3.4
227.12798	100.0
239.23737	4.3
265.53412	1.6
283.15430	32.5
313.23700	3.7
313.27377	78.0
331.66959	1.9
361.57129	1.9
384.74261	1.9
397.23151	1.8
458.05804	1.8
521.38422	63.9
522.38373	1.6
539.39307	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	539.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.0
55.05516	18.6
58.99563	1.9
67.05495	2.9
68.05017	1.8
69.03445	1.6
69.07046	1.3
69.51675	9.1
70.02943	3.2
72.46548	1.3
76.02215	3.8
76.06666	1.3
79.05486	3.2
81.03424	1.8
81.07055	2.6
83.04974	21.0
84.04518	1.6
86.00654	2.7
88.02232	8.3
91.05475	7.1
93.07047	3.2
95.04977	3.1
97.16179	1.3
98.21513	1.7
99.05571	1.7
103.05477	1.9
105.07040	8.5
107.04968	2.3
107.08581	2.6
109.06566	1.7
115.05386	1.8
116.01686	3.2
117.07063	3.5
119.08573	3.5
121.06506	2.4
128.06198	2.4
129.07004	5.1
131.04944	1.8
131.08534	2.9
133.06482	2.9
133.10120	1.9
135.08032	2.2
137.05971	4.6
141.06946	3.5
141.45126	1.4
142.07753	1.9
143.02762	2.2
143.08566	5.2
144.01122	1.7
144.08107	1.5
145.06087	8.8
145.10104	2.9
153.06989	2.0
154.03296	2.1
154.07747	3.5
155.08568	3.2
156.09300	1.6
157.10149	3.8
159.08060	2.4
159.11766	1.6
161.04172	2.5
161.06021	1.9
162.02228	2.0
165.07079	1.9
167.08530	2.2
169.10159	7.0
171.08058	4.8
171.11690	3.8
173.05949	2.6
173.09712	1.6
179.04916	1.7
179.08511	3.8
181.10190	2.8
185.03990	1.5
185.09593	3.9
185.43169	1.4
187.11142	2.1
189.03329	1.7
197.09590	9.2
199.11195	6.8
201.07425	2.1
213.09094	2.3
215.10747	3.1
225.09125	6.5
227.10558	1.6
231.08325	1.5
243.10210	7.2
246.09390	1.7
247.09750	2.1
272.10892	2.0
290.12003	3.2
300.10544	3.3
318.11584	31.0
344.16208	1.7
346.11212	1.9
375.13831	3.3
393.14648	2.7
403.13196	6.4
404.11621	3.8
418.16888	7.2
421.14279	100.0
521.19464	23.1
559.53314	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01883	1.0
55.05506	3.2
58.06605	5.2
59.38614	0.9
60.04516	4.7
65.03931	1.3
67.05507	8.4
69.03421	2.7
69.07083	7.3
70.06602	13.9
71.04990	3.3
71.51614	1.4
72.08150	1.3
79.05485	4.9
81.07065	7.2
83.08611	1.7
84.08154	6.6
89.78538	1.0
89.97332	1.1
91.05487	4.2
93.07049	4.0
95.04977	1.3
95.08610	3.6
96.08157	1.7
97.10179	1.0
98.09705	2.4
105.07040	4.8
107.04966	1.6
107.08607	9.4
109.06508	2.3
109.10166	11.2
116.07092	20.6
117.07030	1.3
119.08602	2.9
121.06515	2.7
121.10170	1.7
123.04466	1.9
123.08097	1.6
125.09621	1.4
127.11189	2.5
128.06274	1.3
129.06995	1.4
131.08591	2.8
133.10181	1.4
135.08087	4.1
137.05986	14.0
137.09697	1.0
143.08589	3.6
145.10130	2.2
147.08086	2.8
149.06044	1.3
149.09636	3.1
151.07562	10.7
157.10236	1.3
159.08171	1.7
161.05981	3.0
161.09634	4.2
163.07565	10.8
169.10245	1.2
174.06851	1.9
175.07545	16.5
175.09018	1.2
176.08395	2.8
176.10648	1.1
177.09145	16.8
187.11201	1.4
189.09077	6.7
202.09929	1.4
203.14375	1.7
213.12732	1.4
215.10886	1.4
217.12326	1.1
229.12340	2.8
231.13800	15.0
232.14537	2.9
248.16589	5.1
249.14880	2.5
290.17621	2.2
299.06326	1.1
301.05920	1.2
451.29041	1.1
461.26752	2.0
478.29538	1.6
479.28091	1.9
496.30524	4.0
520.30469	6.3
538.31708	100.0
539.31567	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	539.1399
Annotation	6-Hydroxymyricetin 6,3',5'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
50.28118	0.4
50.88297	0.4
51.46946	0.4
53.03936	1.0
55.01863	0.9
55.05513	0.7
57.03440	0.8
58.79436	0.4
61.02924	0.9
65.03938	0.4
69.03432	4.4
69.07040	0.4
69.48489	1.4
69.48920	1.1
73.02920	0.5
81.03423	2.3
83.04987	0.7
85.02908	9.4
91.05480	0.8
92.42113	0.4
97.02881	3.2
99.04461	0.7
109.02890	1.1
119.08544	0.5
127.03922	1.7
133.02885	0.5
137.05980	2.3
138.06343	0.6
145.04985	1.3
145.06371	0.4
151.03958	2.4
151.04980	0.4
158.72591	0.4
161.05978	0.7
175.03915	0.5
175.07501	1.1
179.07120	0.4
187.07501	0.5
190.06107	0.4
215.10748	0.6
217.04846	0.6
231.02910	1.2
235.06015	0.5
245.04492	3.3
259.02402	4.3
260.03162	0.5
273.03903	0.9
276.02628	0.8
287.01904	5.2
291.04941	0.8
301.03473	0.5
304.02097	1.2
316.05719	0.9
318.11432	0.8
319.04498	32.4
320.04877	0.5
344.05301	9.3
347.03973	27.8
362.06314	13.2
377.08694	100.0
378.09064	1.4
421.14462	2.5
521.19757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.9
58.06598	5.4
60.04535	6.4
65.03960	0.8
67.05511	11.2
69.03426	1.6
69.07082	5.2
69.41171	5.7
70.06579	1.5
71.05004	4.9
79.05499	2.5
81.07053	6.3
83.04967	0.8
83.08617	1.2
84.08149	4.8
84.96701	0.6
91.05492	2.1
93.07066	3.6
95.04980	0.7
95.08610	2.3
96.08178	1.8
98.09696	3.0
99.08099	1.0
105.07060	3.9
107.08601	4.1
109.06531	1.3
109.10164	16.5
119.08575	2.2
121.06516	2.9
121.10146	1.3
123.04444	1.4
123.08129	1.2
125.09650	0.9
126.12807	0.8
127.11167	4.5
129.07027	1.1
131.08591	2.2
133.06506	1.2
133.10191	1.7
135.08075	2.5
137.05972	5.6
137.09587	1.3
142.07767	1.0
143.08569	1.3
145.06503	0.9
145.10172	2.2
147.08058	2.0
149.09625	2.9
151.07547	9.0
155.08551	1.0
157.10135	2.5
159.08089	3.3
159.11768	1.5
161.05968	4.5
161.09654	2.7
163.07542	4.7
168.09364	1.0
169.10135	1.6
171.11673	3.6
172.08882	0.8
173.09677	2.0
174.06792	0.9
175.07573	9.7
175.11206	1.9
177.09103	5.3
183.11668	1.7
185.09634	1.3
185.13307	0.9
187.07578	2.0
187.11194	1.9
189.09138	2.5
193.08658	1.1
193.83104	0.7
195.11801	1.2
199.11188	0.8
201.09105	0.8
201.12677	1.3
203.10687	1.5
211.11319	1.2
213.12868	1.0
213.16428	2.3
214.09923	2.0
215.10623	1.3
223.11285	1.0
229.12241	11.0
231.13899	4.3
246.15027	5.1
247.13301	11.4
250.18140	1.3
306.07397	0.7
383.84219	0.7
451.28235	1.1
479.27960	2.3
496.30585	5.7
520.31006	0.8
538.31653	100.0
539.31903	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	538.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.6
55.05505	1.0
58.06609	6.1
58.43655	0.6
58.51913	0.6
60.04543	4.0
63.42442	0.6
65.03933	0.7
67.05510	6.8
69.03432	2.7
69.07080	3.8
69.49341	0.8
70.06603	1.2
70.68766	1.1
70.69118	1.4
71.04987	4.0
79.05507	4.2
80.50724	0.6
81.07069	5.1
82.06581	0.9
83.08606	1.0
84.08155	4.0
87.62167	0.6
91.05497	3.4
93.07057	3.7
95.08607	2.6
95.48338	0.6
96.08136	2.4
97.08937	1.0
98.09687	1.2
100.07547	0.8
105.07034	3.0
107.08604	9.9
109.06537	2.3
109.10162	7.5
110.09690	2.8
111.10484	1.4
117.06975	1.3
119.08582	1.5
121.06504	2.5
121.10156	1.5
123.04440	1.5
123.08049	1.2
125.09625	1.6
127.11182	2.1
129.07008	1.5
131.08559	1.8
133.10126	1.4
135.08102	1.5
135.11716	0.9
137.05992	13.3
143.08585	1.4
145.06480	0.9
145.10162	0.8
147.08072	1.6
149.06009	1.3
149.09723	0.9
151.07541	5.1
157.10103	0.8
159.08057	1.8
159.11749	0.8
161.06013	3.3
161.09651	2.5
162.06831	1.0
163.07587	5.2
163.11270	0.8
164.08385	1.5
169.10222	0.9
171.08044	1.1
173.09647	1.2
174.06761	1.1
175.07549	8.4
177.09120	5.0
187.07649	1.5
187.11252	1.2
189.09157	2.6
193.08647	1.0
197.09671	1.1
199.07530	0.7
199.11209	1.0
201.12653	0.8
203.14261	0.7
211.11299	0.9
212.35768	0.6
213.12724	1.0
215.10741	0.9
225.12820	1.0
229.12334	3.2
231.13770	6.8
246.14835	1.2
248.16515	3.8
249.14899	1.8
250.15721	0.7
251.10802	0.8
265.12350	1.2
290.17596	1.2
297.77386	0.8
433.27258	0.7
451.28659	1.1
461.26819	1.3
479.28030	2.9
491.17130	0.7
496.30508	5.6
518.65320	0.7
520.30701	0.7
538.31689	100.0
539.32288	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	538.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
53.40001	1.5
55.01889	3.5
55.05511	4.1
57.03434	5.5
65.03912	1.6
67.05505	5.0
69.03407	2.3
69.07069	4.6
70.06583	1.6
70.54543	5.4
71.05004	2.7
79.05495	9.2
81.07065	17.3
83.04974	5.1
83.99946	1.6
84.04528	1.7
85.02915	3.9
85.06561	1.9
87.21584	1.6
91.05480	5.6
93.07049	26.6
95.01346	3.2
95.04969	6.1
95.08603	7.2
97.06556	8.4
97.78620	1.6
99.04460	4.1
103.04021	1.7
105.07036	17.2
107.08603	18.1
109.06527	9.6
109.10184	6.0
111.08111	3.6
115.82995	1.5
117.05536	4.1
119.04931	1.8
119.08603	14.9
121.06493	12.0
121.10134	3.9
123.08068	5.1
123.11701	5.0
123.62542	1.5
125.06005	4.2
127.07539	3.2
129.05473	5.3
131.08575	2.5
133.06491	1.8
133.10118	7.1
135.04366	2.2
135.08078	5.6
137.05962	5.9
137.09579	2.0
139.07550	8.8
141.01833	5.1
142.07773	1.9
143.07043	2.8
143.08545	2.7
144.00089	1.5
145.10109	3.2
147.08047	3.1
147.11694	44.0
149.13252	2.6
157.08624	4.5
157.10135	6.9
161.13243	5.0
165.12726	21.7
171.11711	6.7
175.11209	13.5
176.00383	1.4
181.10275	1.8
183.13884	2.5
189.12746	9.0
193.12311	15.6
199.11191	4.4
207.13873	3.6
209.15417	1.5
211.13371	2.1
217.12251	13.1
229.14279	4.9
235.13345	14.4
253.14366	20.8
263.11108	4.1
273.31503	1.6
309.16949	12.0
326.64597	1.6
327.18033	100.0
328.18301	2.2
485.19962	1.8
503.21136	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	537.3038
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
50.89658	0.2
57.48299	0.3
67.05500	0.5
68.16243	0.2
69.07101	0.3
70.06613	1.4
70.34703	0.7
70.35058	0.4
75.94988	0.3
81.07041	0.4
82.52556	0.2
91.05502	0.3
95.08635	0.4
98.20913	0.3
105.07036	0.3
109.10095	0.3
114.54974	0.3
116.07092	2.4
117.07420	0.4
127.92770	0.3
141.34305	0.3
176.03882	0.3
184.07393	0.4
203.05336	0.8
223.14561	0.3
226.72177	0.3
259.07977	0.5
301.20129	0.3
381.77338	0.3
491.94885	0.3
537.30389	100.0
538.30731	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	538.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36709	1.5
51.34118	1.5
55.05506	2.7
56.14830	1.6
67.05490	1.9
69.03419	2.2
70.06603	2.3
70.84706	4.3
71.04959	2.4
79.05498	2.9
81.03402	2.6
81.07080	3.2
82.18587	1.8
84.04502	4.8
85.02911	10.5
91.05495	3.5
95.04996	2.2
95.08694	2.1
97.02908	2.8
100.11146	1.7
105.07032	2.8
111.04443	2.3
115.05468	4.2
121.06550	1.8
122.03709	3.9
125.05989	2.4
127.03940	3.1
129.07025	5.9
131.04938	4.4
133.10141	2.4
137.05995	78.9
143.04919	11.1
143.08626	1.8
145.06500	2.8
151.03804	2.5
154.12253	2.9
154.40535	1.8
157.06470	5.3
160.05209	14.4
161.06052	3.9
163.07596	3.2
172.59290	2.0
175.07567	100.0
176.07913	2.0
187.07568	35.8
189.09091	8.0
205.08621	19.1
217.08612	3.3
231.08183	2.6
235.09633	14.7
248.08389	2.9
263.10638	4.1
271.09833	4.7
283.09583	2.2
291.10156	6.7
308.10721	2.2
311.12827	3.0
323.12814	4.5
341.13824	4.4
342.22470	1.9
364.39636	1.9
376.24713	3.7
377.08682	4.0
414.11703	2.0
443.76813	1.9
538.19653	5.2
538.30176	4.5
538.39032	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	538.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21395	1.4
55.05503	2.1
57.03426	1.5
61.02911	2.7
65.67773	1.6
67.05502	2.2
69.03426	4.7
69.32162	3.6
69.32567	9.9
70.06580	2.6
71.04999	1.9
79.05489	1.8
81.03435	3.3
81.07049	2.3
84.04509	3.4
85.02913	13.5
91.05503	3.0
93.07040	2.3
95.08601	2.5
97.02905	6.7
97.06554	1.7
98.20797	3.4
99.04472	2.4
103.05443	2.9
105.07039	3.2
107.08579	1.9
109.06515	2.3
109.10178	2.0
111.04434	2.2
115.05447	6.7
117.07008	2.7
120.08088	1.8
122.03643	4.9
123.11742	1.6
125.06007	1.7
127.03917	4.7
129.07008	5.0
131.04938	5.5
131.08627	1.8
133.10158	1.8
135.11690	2.2
137.05986	87.9
138.06322	4.1
143.04935	10.2
145.05013	2.4
145.06506	3.2
146.05968	1.6
150.05518	2.5
151.03941	2.7
151.07571	2.0
151.11189	2.6
153.05443	2.6
157.06476	4.6
160.05229	14.5
161.05936	2.5
163.07545	3.6
163.14935	1.6
166.08659	2.8
167.08958	3.0
172.05208	4.1
174.06877	2.2
175.07553	100.0
187.07561	36.5
189.09117	6.9
203.08591	2.3
203.19061	1.6
205.08607	20.3
211.07457	1.9
217.08646	4.2
219.07967	2.7
219.17448	1.8
235.09642	12.1
237.18517	2.4
245.04347	1.9
259.02298	2.1
263.10681	2.7
270.08823	1.6
271.09698	3.2
277.50806	1.6
283.09531	1.8
287.01849	3.0
291.10263	5.3
308.19690	1.7
311.12759	3.6
319.04517	12.9
323.12704	4.3
341.13849	2.9
344.05261	2.8
347.03958	12.4
362.06213	6.6
376.24915	6.5
377.08722	38.3
377.13376	3.4
430.49036	1.7
489.40140	1.8
494.20755	3.1
538.19800	10.6
538.29730	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46518	2.3
55.01866	7.4
55.05506	8.6
58.85853	2.0
65.03932	6.9
67.05504	2.6
68.45941	2.3
69.03440	4.2
69.43498	17.3
70.06606	4.2
79.05498	7.7
81.07066	3.7
83.04990	2.8
84.08147	2.5
85.02924	3.0
86.09716	3.6
91.05463	17.8
93.03378	3.8
93.07041	3.3
94.04170	5.6
95.04975	11.1
95.06070	3.4
103.05476	63.2
105.07045	20.0
107.04951	9.7
107.08605	2.4
109.10207	2.2
111.04401	2.6
111.05567	13.4
115.05454	8.3
117.07047	6.4
119.04962	11.7
119.08607	3.7
120.64706	2.1
121.06499	6.6
122.03633	7.3
123.04391	5.1
123.05563	9.2
125.06023	3.7
128.06218	4.1
129.06995	6.9
131.04939	100.0
131.08559	5.5
132.05745	2.2
133.02864	3.1
133.06476	15.6
133.10172	3.5
135.04395	4.6
137.05988	91.9
138.06770	2.5
141.06613	11.7
143.04971	2.9
143.08484	2.4
144.05663	3.8
145.06487	4.0
145.10129	3.5
146.03607	3.3
146.07271	4.4
147.04431	15.0
147.08005	3.9
147.11682	4.0
148.05179	7.5
149.05984	9.3
150.06766	3.0
151.03934	31.0
151.05043	3.0
151.07579	6.1
157.06496	5.7
159.08075	8.9
160.05208	6.8
161.06000	38.2
161.09616	6.5
162.06677	3.8
163.03955	3.0
163.07550	73.0
165.05489	4.4
167.07104	3.8
171.08096	2.7
172.05177	6.9
174.06757	8.6
175.07574	19.6
177.05405	4.4
177.09166	2.7
178.06184	4.3
179.07016	5.6
187.07564	38.7
189.09103	23.3
191.06998	4.0
193.08641	3.2
197.05966	2.7
199.07657	4.1
203.06992	3.9
203.08664	4.8
205.06543	2.8
205.08640	2.8
214.06194	2.9
217.08606	9.7
219.07993	6.4
219.10139	6.3
219.17549	3.1
220.08618	2.2
225.09280	2.9
227.06873	2.6
231.08014	5.9
237.09073	4.4
239.07063	3.9
239.10776	2.7
247.07587	3.3
248.08321	3.9
249.09047	3.8
251.10718	4.2
253.08615	4.8
255.06158	3.2
255.10229	6.1
260.08127	3.4
261.09259	3.4
263.10596	3.2
265.08548	4.2
277.08624	4.3
279.10220	8.5
281.08252	4.4
281.11768	5.2
291.10101	6.7
293.11838	3.2
295.09671	3.2
297.11115	5.7
299.09271	2.6
299.12833	3.2
307.09500	11.4
307.12802	2.8
309.11188	30.1
311.12592	12.6
312.13571	4.4
321.11499	11.3
323.12830	10.4
324.13431	4.7
325.10828	3.5
327.12204	3.7
335.12820	2.9
341.13828	9.2
342.14481	3.7
347.12897	4.4
355.51199	2.5
376.24768	7.7
387.15427	3.1
389.16553	2.8
419.18228	5.6
489.22198	3.3
519.23645	24.5
537.18890	4.0
537.24835	3.9
538.30615	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	537.1608
Annotation	Galactobuxin
Peak:m/z	Relative Intensity
55.05500	0.9
67.05505	0.6
68.83803	0.3
69.03431	0.7
69.07062	0.3
71.50236	0.5
77.26991	0.3
79.05453	0.3
81.03413	0.4
81.07057	0.8
83.08588	0.3
83.79161	0.3
84.04488	0.4
85.02903	0.5
91.05481	0.5
93.07060	0.5
95.08605	0.5
96.61292	0.3
100.11236	0.4
105.01821	0.5
105.07011	0.7
107.08581	0.8
109.06522	0.7
113.02368	0.4
117.06994	0.5
117.95747	0.4
119.08637	0.3
121.06533	0.4
121.10135	0.4
131.08669	0.3
137.05954	0.3
144.06844	0.3
145.10143	0.4
149.05998	2.7
151.00288	0.6
151.03938	2.1
169.01350	3.5
178.50101	0.3
178.99734	0.3
182.15446	0.3
197.00818	6.4
210.14906	0.5
215.01866	1.8
227.05470	0.6
230.05811	0.4
243.06422	0.4
261.16232	0.3
271.06036	0.8
272.16830	0.3
299.05673	1.7
302.04321	3.4
312.02747	1.3
313.07028	1.6
314.07919	1.8
315.05103	0.4
316.05673	0.4
317.06561	3.0
327.04999	18.4
328.05499	0.5
329.06598	1.1
330.03757	5.7
331.08078	0.3
332.09155	0.4
340.21091	0.4
341.06522	0.9
342.07275	4.0
345.06070	43.4
346.06607	0.4
359.07687	0.4
360.08392	9.5
375.10760	100.0
376.11090	1.2
520.37012	0.5
537.15570	4.1
537.39606	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.9
56.05037	1.4
57.07048	0.6
58.06599	0.8
60.08166	16.8
67.05509	3.5
69.07029	0.5
70.63443	1.5
71.07381	7.7
79.05486	1.6
81.07066	2.7
86.09708	55.1
87.10053	0.7
88.04006	0.8
91.05473	1.5
93.07051	2.4
94.38461	0.5
95.08597	2.1
98.98467	4.1
104.10748	100.0
105.07045	0.8
105.11075	0.8
107.08586	1.4
109.10180	0.7
111.68372	0.4
119.08556	0.5
121.10101	0.7
121.79487	0.5
125.00006	31.3
131.08598	0.5
135.04449	0.9
163.01501	1.1
167.03386	1.1
184.07349	98.5
185.07710	1.8
258.11066	1.5
299.06204	0.9
306.07584	0.5
351.25278	0.6
500.31357	5.8
518.32458	37.0
519.32349	0.9
536.28223	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.4
56.04450	0.4
56.05019	0.6
58.06609	0.6
60.08163	5.9
67.05495	0.9
69.19872	4.2
71.07377	3.2
81.07051	1.0
86.09709	29.2
93.07059	0.7
95.08617	0.8
97.06533	0.7
98.98462	2.9
104.10750	5.3
105.20984	0.4
125.00010	20.3
133.06479	0.8
134.02719	0.4
135.04408	3.3
145.10245	0.4
154.99818	0.7
167.05630	0.6
181.38557	0.5
182.99251	0.6
184.07349	100.0
201.00406	0.5
283.02969	0.7
287.05511	1.0
299.06168	1.9
312.06241	1.5
315.04984	6.5
316.05167	0.8
330.07388	1.1
344.97961	0.4
345.09705	11.4
346.10080	1.4
354.00531	0.7
359.02670	0.4
372.01617	0.8
389.08511	0.7
419.06458	1.2
437.07346	0.5
518.32416	4.4
536.27069	4.0
537.27673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
71.64078	0.6
90.60144	0.6
94.93020	23.9
96.92795	1.8
101.93785	0.7
110.08665	0.6
112.89632	6.6
114.89348	2.2
135.71516	0.7
136.94023	1.0
140.68881	0.7
144.33426	0.7
150.95575	2.7
156.04221	12.3
164.93466	0.9
177.80435	0.8
194.94588	100.0
195.94977	1.3
202.89091	6.6
212.94753	2.0
230.88617	1.9
232.88011	1.0
232.90193	11.2
248.89709	1.2
250.89493	1.6
254.95685	2.3
254.98021	3.9
266.97647	0.8
284.83759	2.4
306.83289	1.9
306.90237	1.5
331.76239	0.7
343.02432	0.7
344.85779	2.1
360.38135	0.9
381.07965	6.1
416.39609	0.8
537.05530	1.7
537.12885	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25378	0.6
55.05488	0.9
56.05041	2.3
69.60144	4.8
71.04967	0.9
74.02440	1.1
74.06090	5.0
78.03460	2.3
81.03420	1.8
81.07083	0.8
83.04985	1.0
84.35487	0.6
85.02921	0.9
86.09714	88.3
87.05591	2.7
88.04002	0.7
91.05504	2.0
93.07072	1.7
96.35121	0.6
98.06052	1.6
103.05463	4.1
105.07059	0.9
106.02922	5.5
116.03516	1.1
116.06953	0.7
120.08118	100.0
121.08512	0.8
124.03971	9.8
126.05520	8.0
127.03923	1.3
127.11182	1.3
131.04973	0.9
133.06100	11.2
137.06033	1.5
155.62080	0.7
195.11284	1.5
203.06929	0.7
211.14529	1.8
233.16533	5.7
235.16829	0.8
239.13933	31.0
250.07103	0.9
257.15002	16.0
261.16055	4.0
263.10263	5.2
268.08179	5.6
280.12958	15.8
376.18707	0.9
400.46405	0.7
404.21796	1.2
406.12659	0.7
518.24017	1.3
536.21594	1.5
536.33954	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47965	4.3
53.03937	5.7
55.05512	16.1
57.07071	13.4
58.02618	4.7
61.02934	7.0
67.05511	90.0
69.07069	27.3
70.20760	7.1
70.21121	16.4
71.08614	4.8
79.05508	27.9
81.07069	100.0
83.08616	17.1
84.28124	5.0
86.09697	10.2
91.05483	16.2
93.07066	25.4
95.08620	88.3
97.06525	6.5
97.10233	9.1
104.10753	18.0
105.07030	13.4
107.08613	24.8
109.10165	42.2
112.06250	4.5
113.09631	5.1
119.08585	14.4
121.10175	29.9
123.11755	20.9
124.99967	7.5
133.10132	18.2
133.53479	4.3
135.11673	12.8
137.13303	8.2
147.11685	14.8
149.13242	9.5
151.14886	7.4
161.13290	15.5
163.14857	7.0
165.16371	8.6
175.14783	11.1
177.16359	4.7
179.17989	12.3
184.07378	19.9
238.97327	4.4
245.22672	64.0
256.31421	4.5
263.23727	94.9
337.27414	52.7
534.35834	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	534.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.6
56.05026	1.1
57.03431	0.7
58.06615	1.5
59.07397	0.6
60.08167	16.7
66.21615	0.4
67.05519	2.3
69.97352	0.4
70.40629	1.0
70.40990	0.8
71.07379	7.2
79.05491	1.5
81.07051	1.3
86.09712	51.2
91.05478	2.0
91.74985	0.4
93.07046	1.8
95.08603	1.0
98.98478	4.8
104.10750	86.9
105.07028	1.5
107.08625	1.1
117.07012	0.4
119.08546	1.2
120.08126	0.5
121.23669	0.5
125.00014	30.2
131.08569	0.9
133.10155	0.6
163.01517	0.5
184.07353	100.0
185.07741	0.5
195.32332	0.4
199.93225	0.6
258.10971	1.2
498.29852	5.7
516.30872	28.6
535.26709	0.7
542.10431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.7
56.05030	1.1
57.03442	0.5
58.06600	1.4
59.07388	0.5
60.08167	17.1
67.05496	1.7
69.07072	0.5
69.79421	1.2
69.79839	0.8
70.88323	0.3
71.07378	7.1
71.08620	1.4
79.05504	1.5
81.07061	1.3
84.08134	0.4
86.09711	48.4
88.61614	0.4
91.05479	1.1
93.07057	1.2
95.08611	1.0
97.06563	0.4
98.98483	3.9
104.10750	100.0
105.07062	0.5
105.72256	0.3
107.08635	0.6
109.10156	0.7
119.08611	0.6
122.11398	0.3
125.00011	27.2
133.10091	0.4
139.78450	0.4
149.02312	0.5
151.54099	0.4
179.14418	0.6
184.07350	85.8
258.11102	0.6
277.21466	0.4
351.25137	0.6
516.30951	5.8
534.31982	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	534.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.0
56.05044	1.8
58.06611	1.8
60.08169	18.7
67.05505	2.1
69.07085	0.7
71.04990	0.5
71.07378	6.9
71.50846	0.9
79.05496	2.4
81.07050	1.8
83.08628	0.6
86.09712	54.9
91.05480	1.9
92.91730	0.5
93.07047	2.3
95.04939	0.5
95.08632	1.4
97.06518	0.9
98.98481	4.1
104.10753	100.0
105.07043	1.5
107.08618	1.2
109.10140	0.6
117.07013	0.9
119.08587	1.3
121.10133	0.9
125.00016	31.1
131.08546	0.8
133.10117	0.8
147.11745	0.7
152.01035	0.7
157.45155	0.5
163.01520	0.5
167.03427	1.7
170.45851	0.5
184.07356	91.6
185.07489	0.5
258.10989	0.9
498.29837	6.7
516.30914	28.7
519.81659	0.6
535.26801	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	534.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.6
55.01871	2.6
55.05514	5.5
57.03444	6.3
59.05001	2.5
67.05503	2.9
69.03435	2.8
69.07059	5.9
69.32985	14.8
69.90086	1.9
71.04993	4.1
79.05500	12.1
81.07068	20.7
83.04986	3.5
85.02907	9.3
85.06567	4.0
91.05476	14.0
93.07053	66.5
95.04947	3.6
95.08584	2.3
97.02908	4.7
97.06522	13.6
98.20750	3.7
99.00830	2.9
99.04462	11.5
103.03947	3.0
105.07045	26.5
107.08609	8.5
109.06524	11.0
111.04486	2.6
115.07643	2.5
119.08582	19.9
121.06509	30.8
123.08077	1.9
127.03973	2.6
127.07538	3.4
129.05496	3.6
129.06990	4.5
131.08553	4.1
133.06487	3.2
133.10159	14.7
135.08083	2.4
137.06038	2.9
139.07539	26.3
142.07817	6.4
143.08569	5.9
145.10150	8.6
147.08081	2.1
147.11707	28.8
157.10150	17.1
161.06017	2.2
161.13278	9.2
171.10335	3.1
171.11626	10.3
173.09615	1.9
175.07539	3.3
175.11198	18.1
189.12769	37.8
193.12192	2.1
195.10211	5.7
199.11209	10.9
199.69298	2.1
207.13840	9.0
210.07274	2.1
217.12239	47.5
235.13333	18.4
253.14403	6.4
265.37839	2.1
291.15887	6.8
303.03793	2.0
309.16983	100.0
499.21567	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.7
56.05042	0.9
58.06620	1.1
60.08170	11.6
67.05502	1.6
69.07066	0.4
71.04990	0.6
71.07378	5.5
71.50140	0.4
71.97533	0.3
76.37833	0.3
79.05496	1.5
81.03452	0.4
81.07059	1.2
83.08620	0.5
86.09714	41.4
91.05481	1.0
93.07049	1.3
95.08582	0.8
98.98470	3.4
104.10754	49.1
105.07024	0.9
107.08607	1.1
109.10141	0.4
119.08600	0.7
121.57226	0.4
124.26003	0.3
125.00016	25.7
127.11170	0.6
133.10153	0.4
135.08022	0.4
137.06001	0.5
143.01065	0.4
145.10211	0.5
151.07527	0.5
163.07603	0.4
167.03412	0.8
175.07596	0.5
184.07355	100.0
185.07729	0.5
231.13860	0.6
249.14716	0.4
258.11130	0.6
282.15555	0.4
376.10095	0.4
516.30841	4.9
534.32190	10.5
535.26288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78466	0.8
53.03956	1.0
53.75668	0.7
55.01869	1.0
55.05514	1.1
55.41701	0.7
69.03432	2.3
70.18027	1.6
70.18380	3.8
71.05004	0.9
77.03895	1.3
79.05490	2.7
81.03420	1.2
81.07068	0.8
83.04966	1.3
85.02903	2.7
87.00857	1.1
89.03917	3.4
91.05484	6.7
93.07041	0.9
95.04975	0.8
97.02922	1.2
98.29609	0.8
102.04710	6.3
103.05439	1.8
105.01832	1.3
105.03400	1.1
105.07046	9.0
107.04897	1.2
107.08560	0.9
110.07207	1.0
115.05457	2.3
117.03384	2.4
118.04207	1.1
119.04964	7.6
119.08555	0.9
121.06483	2.5
123.04412	1.3
124.05206	1.2
127.03890	1.9
130.04160	21.1
131.04938	5.4
133.02896	6.6
133.05579	1.1
133.06493	7.7
133.10133	1.0
135.04437	4.5
137.05981	16.5
143.04924	1.0
143.06044	1.5
145.02899	2.0
145.10126	1.4
146.03619	8.1
147.04420	37.7
147.07982	0.9
149.05983	15.1
150.06776	16.1
151.03973	1.4
151.07570	1.7
153.05475	2.1
159.04405	1.8
159.11752	0.9
161.02332	1.3
161.05991	27.3
162.06770	100.0
163.03917	6.6
163.07481	1.1
167.07027	4.2
175.07484	2.1
177.04066	1.3
177.05484	14.9
178.06265	3.4
178.07668	0.9
179.07028	4.4
180.07822	3.5
187.03918	5.8
191.07063	1.1
191.10670	2.4
192.10986	1.6
201.05576	0.9
205.04958	1.8
217.04892	1.5
231.05032	0.9
231.13750	1.2
232.14140	1.2
234.06711	1.5
235.07552	1.8
245.06099	1.0
250.15128	0.9
263.07043	1.2
273.98932	1.2
277.08521	1.3
281.08167	1.0
291.06506	3.2
295.09589	2.1
311.09177	5.0
323.09134	47.7
341.10202	48.0
353.13864	1.6
530.38000	1.2
533.21924	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.01857	4.1
55.60918	1.3
60.03950	1.2
69.03427	10.3
69.85627	7.5
71.04990	27.1
73.02947	1.6
81.03413	7.2
85.02908	21.4
87.00832	12.0
97.02905	10.5
99.04443	2.4
103.17982	1.2
105.01881	11.2
109.02859	5.5
120.06712	1.2
126.72617	1.5
127.03925	14.0
127.11196	100.0
137.05923	3.8
145.04962	6.2
151.07535	4.8
156.61816	1.4
159.02965	2.7
163.07503	1.3
173.09500	2.2
177.09103	6.1
191.10622	2.4
231.04982	3.5
233.15302	9.9
251.16423	50.2
257.15475	3.9
275.16479	3.6
283.98083	1.8
317.17352	4.5
324.60806	1.5
341.17471	5.9
445.18399	2.1
481.20581	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01875	3.6
55.05514	3.8
57.03431	3.9
66.34560	1.5
67.05504	6.8
68.63499	1.5
69.03419	4.1
69.07063	4.2
70.39649	5.7
71.04994	5.0
79.05488	10.1
81.07066	18.1
83.04945	2.5
85.02888	7.2
85.06535	2.9
91.05497	12.1
93.06494	2.5
93.07054	48.9
95.04971	4.3
95.08624	2.8
95.13512	1.5
97.02892	2.7
97.06516	5.4
99.04458	16.1
105.07040	16.7
107.04949	2.3
107.08585	6.6
109.06529	9.7
119.04981	2.0
119.08594	14.8
121.06516	71.8
127.07580	5.9
129.05461	2.8
129.07021	3.8
131.08600	4.5
132.92497	1.8
133.06488	4.7
133.10172	11.3
135.04413	2.1
135.08116	3.9
137.05995	3.9
139.07573	9.9
142.07771	3.4
143.08562	7.3
145.10121	5.2
146.04218	1.9
147.08025	3.4
147.11728	18.2
155.08585	2.6
156.09329	3.7
157.10143	19.9
161.09608	2.6
161.13271	4.6
169.08575	7.4
171.10341	2.4
171.11658	12.6
173.09645	3.6
173.13245	1.9
175.11197	19.4
189.12753	29.0
193.12218	5.9
195.10126	9.6
199.11266	12.6
207.13898	10.9
213.11255	4.2
217.12254	55.8
235.13319	24.1
253.14354	4.6
291.15857	11.5
309.16983	100.0
387.40897	1.9
481.20627	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.7
67.05525	30.0
69.03434	5.7
69.07064	7.5
71.04978	46.6
79.05465	13.6
79.72520	5.0
81.07059	19.6
83.03980	4.5
83.04964	8.8
91.05473	21.9
93.07050	13.9
95.04990	5.2
95.08616	11.8
97.10156	5.3
103.96871	4.6
104.10743	8.4
105.07027	15.3
107.04946	12.5
107.08606	28.4
109.06566	5.3
109.10168	69.0
119.08625	7.6
121.06505	11.5
123.08080	5.3
125.09618	14.5
127.11199	100.0
129.06964	5.3
131.08533	14.2
131.31503	4.7
133.06477	6.2
133.96581	4.7
135.08066	21.6
137.05998	19.8
143.08511	10.5
145.10112	6.9
147.08104	6.7
149.09598	6.9
151.07512	17.1
159.08022	5.7
159.11722	5.6
161.06013	24.9
161.07138	5.1
161.09636	16.1
163.07555	17.5
164.08302	5.3
173.09702	6.9
175.07509	24.6
177.09120	13.6
181.04991	28.1
182.05283	6.3
184.07343	9.9
187.07527	6.6
189.09052	7.6
190.09338	4.9
191.06949	7.2
203.14456	6.4
221.15350	6.4
229.12169	14.6
231.13841	31.1
233.15332	8.4
247.13318	18.3
249.15050	7.1
255.10124	6.0
371.18491	6.9
451.28363	12.6
479.28137	30.6
497.28845	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	532.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58501	0.9
55.05511	2.4
63.09698	0.9
67.05494	3.1
69.03436	2.1
69.07073	1.0
69.20718	0.8
71.04980	4.1
71.51396	1.0
72.08158	2.1
79.05454	2.4
81.07041	3.3
86.09686	0.9
91.05488	1.9
93.07039	2.3
95.04989	1.5
95.08599	2.8
97.10139	1.1
105.07025	3.2
107.04943	4.1
107.08608	5.4
108.05323	1.0
109.06528	1.4
109.10149	2.5
117.07037	1.4
119.08607	1.5
120.02125	0.9
121.06548	8.1
121.10142	1.1
123.04418	1.3
124.15223	0.9
125.09601	2.3
127.11209	2.5
129.06976	1.2
131.08618	1.6
133.10143	1.7
135.08080	6.4
137.05988	12.3
143.08537	1.1
145.06479	1.1
145.10136	2.3
147.08066	2.2
147.11707	1.7
148.01489	1.3
149.05934	1.8
149.09529	1.4
151.03937	1.3
151.07558	8.3
161.06032	2.0
161.09599	2.7
162.06761	1.1
163.07567	13.5
163.11197	2.4
166.02603	1.9
173.09584	2.1
174.06693	1.1
175.07581	11.7
176.08299	3.2
177.09148	4.8
181.04953	10.7
182.05293	3.5
186.22400	1.0
189.09102	8.2
191.10684	100.0
221.15460	1.0
231.13823	21.4
239.04123	1.0
249.14857	10.4
407.10526	0.9
462.38928	0.9
532.23090	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04678	3.0
55.05511	16.8
57.03436	3.5
57.07067	4.7
61.02925	6.8
62.68462	2.7
65.03926	4.4
67.05508	89.5
68.36189	3.2
69.07066	14.9
69.09061	2.7
69.83874	15.2
71.05001	3.4
75.51135	3.3
79.05496	49.7
81.06595	5.0
81.07063	98.0
83.08598	9.9
85.02913	3.5
91.05473	26.2
93.07046	64.1
95.08613	74.5
97.10146	5.9
98.20911	4.4
99.08107	4.2
105.07042	24.1
107.08593	42.3
109.10165	36.7
117.07023	9.4
119.08557	19.0
121.10162	43.5
123.11711	16.5
125.09648	4.1
129.06865	3.1
131.08542	23.3
133.10153	14.6
135.11725	32.6
137.13225	11.7
145.10101	15.9
147.11678	15.6
149.13278	29.6
159.11662	16.9
161.13284	13.4
163.14827	17.3
173.13315	19.4
177.16351	6.6
179.14232	3.2
187.14867	11.8
243.21094	37.1
261.22168	100.0
261.92725	3.1
262.22388	4.2
263.23825	3.1
279.23181	4.6
335.25806	32.8
353.26849	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	531.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.5
55.01857	6.9
55.05517	23.0
57.03428	4.1
57.07056	5.6
65.03921	5.3
67.05508	100.0
69.03425	5.1
69.06739	2.1
69.07072	27.6
69.97492	8.1
71.04969	7.1
71.08618	2.3
79.05498	59.6
81.03404	4.2
81.07063	86.9
83.04985	11.7
83.08617	9.9
85.06542	9.0
87.04472	14.1
91.05487	77.1
93.07049	70.6
94.93291	1.8
95.04994	9.2
95.08062	2.7
95.08614	36.5
97.06516	5.3
97.10172	3.1
99.04458	2.9
99.08096	2.8
105.04515	2.4
105.07037	60.3
107.04927	2.2
107.08598	64.6
108.01980	1.8
109.06511	5.5
109.10165	81.7
111.08134	2.2
115.05434	2.3
117.07013	10.1
119.08595	18.7
121.10155	19.8
123.07990	2.7
123.11715	15.1
125.09641	2.9
127.07561	4.0
127.11210	2.8
129.07014	4.7
131.08609	17.2
133.10139	100.0
135.08080	2.1
135.11723	18.5
137.09668	2.2
145.10129	10.4
147.11674	8.4
149.13234	8.4
151.11191	55.1
153.12729	2.0
157.10149	3.7
159.11749	11.6
159.31192	1.6
161.09595	3.9
161.13261	7.5
163.14865	3.5
169.12213	13.9
170.18279	1.7
171.11639	2.4
173.13197	7.8
175.11272	2.0
187.14850	4.4
215.12787	6.3
243.21193	3.2
253.14368	79.5
261.22150	23.1
271.15338	5.3
317.24686	5.6
354.82199	1.9
382.61996	2.1
439.31958	5.6
457.33142	7.5
513.35760	17.1
531.37427	95.4
532.37195	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	532.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.01866	2.3
55.05500	2.1
57.03424	1.9
59.05000	1.0
61.02918	1.9
67.05513	0.8
69.03438	12.3
69.07078	0.8
69.83883	0.7
70.93716	1.9
71.04984	1.6
73.02924	1.5
81.03426	8.2
81.07076	1.2
83.01330	1.1
83.04969	0.8
85.02908	21.7
85.03434	1.1
85.06539	1.6
87.00844	8.8
87.04486	0.9
91.05491	1.2
93.07056	0.8
95.08599	2.8
97.02888	9.5
99.04449	3.0
105.01871	6.9
105.07047	1.5
107.05032	0.9
107.08582	2.4
109.02891	7.4
110.07153	2.1
115.03983	0.8
116.11179	0.7
119.08571	1.7
121.06501	7.6
123.08081	1.4
125.09596	1.2
127.03922	13.2
129.01869	0.7
135.08052	2.2
137.05989	6.4
143.08501	0.9
143.10677	1.9
145.04997	5.1
145.06111	1.1
145.10124	2.2
149.05977	2.2
151.07553	11.5
159.02917	3.2
161.05936	1.5
163.07562	5.7
163.11201	3.8
173.09595	1.6
175.07553	7.5
175.11159	1.0
176.08301	2.5
177.09085	5.6
183.07959	0.8
189.03908	0.7
189.09085	6.0
191.10678	100.0
192.11067	1.0
203.10677	0.9
209.11708	2.0
215.10663	2.6
229.12193	3.8
231.05023	3.7
231.13795	20.5
233.11647	0.8
243.13692	0.8
249.14850	8.9
249.53465	0.7
255.13750	0.9
299.12756	1.3
532.22864	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	531.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.4
54.88962	2.7
55.05517	30.4
57.03442	13.7
57.07087	4.2
58.23231	2.9
58.33489	2.4
65.03938	7.1
67.05516	100.0
67.05882	5.2
69.07079	28.8
71.04971	6.0
71.51708	3.9
71.52077	3.2
79.05077	4.5
79.05502	67.3
81.03413	8.2
81.06598	4.4
81.07069	89.7
83.04976	10.8
83.08617	16.7
85.06570	6.8
85.12079	2.8
91.05495	84.3
93.06485	4.5
93.07055	73.8
95.04984	10.3
95.08624	56.1
95.75913	2.7
97.06536	9.2
97.10204	15.6
105.06399	5.5
105.07043	65.8
107.08608	51.1
109.06531	4.8
109.10165	30.7
111.08090	5.8
117.07011	24.1
119.08593	55.5
121.10165	27.8
123.08072	6.2
123.11741	5.4
125.09625	6.8
128.06265	5.8
129.07030	11.3
130.07806	4.0
130.94196	2.6
131.08588	39.7
133.10147	58.6
135.11703	33.9
141.06990	5.9
142.07747	5.1
143.08580	23.7
145.10135	46.5
147.08070	4.0
147.11716	26.6
149.09624	7.5
149.13257	8.1
151.11185	10.5
153.12712	2.7
155.08589	9.9
156.09389	5.4
157.10118	25.6
159.11699	37.8
161.09631	12.7
161.13304	20.7
163.11218	6.8
163.14763	4.0
168.13998	2.8
169.10158	14.3
171.11682	26.2
173.11957	2.9
173.13284	17.1
175.14864	6.7
179.10770	5.6
181.10172	5.4
181.12334	4.0
183.11664	11.1
185.13245	21.2
187.11220	4.1
187.14815	9.4
195.11662	7.9
197.11722	8.8
197.13306	8.2
197.95175	2.7
199.11168	3.5
199.13191	3.7
199.14867	10.9
201.16350	4.5
203.14342	3.0
209.13281	5.0
211.14874	7.9
215.17989	4.7
223.14729	5.6
225.16386	3.8
231.21085	4.4
235.14853	5.6
239.17799	3.2
241.19589	15.2
253.14224	4.8
255.15910	20.4
259.20639	29.2
261.22244	5.3
271.15948	3.2
285.22495	3.2
297.22144	6.2
303.23087	3.6
315.23148	7.3
330.07526	2.8
333.24213	10.7
403.30060	6.3
411.32553	7.5
421.31094	23.1
439.32095	23.6
457.33170	20.6
485.36252	6.1
495.34595	3.9
501.35626	4.7
503.37579	22.5
513.35785	81.6
531.24390	4.4
531.36853	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	531.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.5
55.01878	8.8
55.05505	20.2
57.03434	6.0
57.07071	6.9
65.03924	4.0
67.05508	94.0
69.03415	4.2
69.07073	23.3
71.04992	9.5
77.03892	1.8
79.05497	60.5
81.03415	4.7
81.07062	85.6
83.04995	10.5
83.08616	6.9
85.06550	8.3
87.04462	6.2
88.04814	1.9
91.05486	70.7
93.07052	63.5
95.04958	10.7
95.08617	40.0
97.06522	5.9
97.10161	3.5
98.20750	4.6
99.04447	2.8
99.08038	1.8
105.00028	2.0
105.07040	57.8
107.04974	2.0
107.08603	64.2
109.06509	6.2
109.10161	78.8
111.08078	3.3
113.05982	2.9
117.07014	7.7
119.08582	18.2
121.10149	21.7
123.08097	2.0
123.11719	15.4
125.09594	2.1
125.20846	1.5
127.07523	3.0
127.11234	1.8
128.06163	2.0
129.06972	2.2
131.08569	18.2
133.10138	89.7
135.11699	15.0
135.83194	1.6
137.09703	1.8
141.06953	1.8
143.08554	5.3
145.10155	13.3
147.11691	8.9
149.13271	9.0
151.11183	41.7
157.10152	4.0
158.47827	1.6
159.11702	10.3
161.09610	3.5
161.13239	7.0
163.14851	3.6
169.10118	1.8
169.12302	10.2
169.13606	2.2
171.11665	3.4
173.13246	6.9
175.14897	2.7
179.57805	1.6
183.11647	1.7
185.13271	2.4
187.14851	2.5
194.09204	1.4
197.11681	2.3
199.14862	1.8
215.12775	3.8
233.22728	1.8
241.19623	2.0
243.21100	5.5
253.14369	100.0
255.38420	1.7
261.22137	27.8
271.15421	4.4
313.10379	1.7
317.24731	4.2
377.71262	1.7
391.82101	1.7
421.30786	3.8
439.31979	9.6
457.33060	7.3
513.35828	18.2
531.37000	74.3
532.38055	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	531.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69212	2.1
53.03941	6.6
55.01870	3.0
55.05500	9.0
57.03440	3.0
65.03969	2.0
65.50209	1.8
67.05518	12.3
68.99786	3.3
69.03153	2.3
69.03436	25.4
69.07069	10.3
71.04996	4.1
79.05508	22.3
81.03432	14.3
81.07060	100.0
83.04977	6.3
83.08612	4.1
85.02915	10.6
85.06532	2.5
86.09684	4.6
87.00816	3.3
91.05492	17.2
93.07050	31.5
95.04957	6.8
95.08612	28.3
97.02901	10.1
97.06532	6.7
97.10164	6.4
98.21609	4.6
104.10746	8.8
105.07036	84.8
107.04950	6.4
107.08613	25.0
109.02864	6.8
109.06514	5.9
109.10165	23.0
111.04421	4.1
117.07034	7.5
119.08597	42.8
121.06506	9.1
121.10138	20.6
123.04401	3.7
123.08081	6.0
123.11677	5.8
125.00039	2.3
125.09657	4.5
127.03914	6.8
127.11186	3.2
128.06267	4.2
129.07001	7.7
131.08580	26.3
133.06467	2.0
133.10149	20.5
135.04428	2.0
135.08101	10.7
135.11676	6.9
137.05983	4.7
140.57887	2.1
142.07755	2.9
143.06848	2.0
143.08557	21.3
145.06429	3.0
145.10136	41.6
147.08020	2.9
147.11687	20.3
149.05977	7.9
149.13190	2.9
151.07550	8.6
155.08551	9.4
156.09361	3.0
157.10127	21.0
159.08035	3.2
159.11713	31.2
161.09586	2.4
161.13254	32.6
163.07542	2.6
163.14862	3.7
167.07069	2.9
167.10637	2.4
169.10118	9.5
171.11674	20.2
173.09695	4.2
173.13251	21.7
175.07475	6.2
175.14813	20.6
179.10692	2.8
181.04950	2.2
181.10175	4.5
183.11636	5.0
184.07346	9.6
185.09602	2.6
185.13235	8.3
187.11107	3.1
187.14911	3.5
189.09137	3.8
191.10628	2.9
193.10197	4.9
193.12206	6.2
195.11650	7.8
197.13260	9.3
199.11124	2.7
199.14851	25.5
201.16498	2.7
203.10658	2.5
203.14284	2.6
205.12189	4.3
207.11827	3.9
207.13828	13.0
209.13254	6.5
211.14818	7.1
212.83972	2.2
213.12762	2.8
213.16389	8.0
215.14394	2.4
215.17982	8.2
219.13817	4.4
221.13197	7.6
221.15355	16.5
223.14816	6.4
225.16409	5.6
227.17996	13.3
229.12318	2.5
231.13934	5.1
231.17490	3.3
235.14879	5.0
237.16426	4.8
239.17984	4.2
241.11981	3.1
245.15480	3.1
247.14662	2.7
251.17993	3.8
253.19501	8.2
255.21097	72.7
259.17029	3.4
263.17941	3.2
265.19434	6.8
267.21091	7.9
271.14893	2.7
277.19489	6.6
279.21048	2.6
283.20505	9.8
295.20563	11.6
299.20029	9.1
301.18362	3.3
301.21661	43.9
309.18362	3.5
313.21649	8.7
323.20056	3.0
327.10202	2.5
327.20505	2.5
339.68063	2.1
341.21216	9.0
345.22162	8.8
359.22141	9.6
363.23242	13.5
381.24228	7.1
391.22742	10.5
409.23914	20.7
427.24835	48.4
449.23309	7.6
467.24249	12.4
485.25415	8.7
487.27338	11.2
495.23669	7.9
513.24719	19.9
531.26031	13.6
556.63031	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	531.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
55.01865	4.0
55.05512	7.8
58.84356	2.2
58.93865	2.2
60.08169	2.4
61.02931	3.2
67.05515	20.0
68.99780	3.7
69.03081	3.2
69.03432	25.6
69.07069	10.6
71.04994	4.7
72.91967	2.1
79.05489	25.9
81.03428	20.5
81.07063	100.0
83.04981	8.4
83.08607	4.9
85.02922	11.3
85.06554	3.5
86.09713	6.6
87.00853	3.1
87.15224	2.0
91.05495	19.9
91.70898	2.3
93.07049	32.1
93.66525	2.1
95.04983	10.0
95.08616	35.2
97.02903	8.8
97.06535	8.6
97.10153	6.8
98.21592	6.5
99.04440	2.8
101.66925	1.9
104.10760	8.2
105.07040	88.3
107.04955	4.7
107.08601	30.6
109.02897	6.0
109.06532	6.7
109.10156	20.9
111.04481	5.0
113.02368	2.1
115.03898	2.7
117.07028	9.0
119.08585	49.0
121.06516	6.7
121.10151	20.8
123.04443	2.3
123.08048	3.7
123.11735	4.1
125.00045	4.6
125.09586	3.8
127.03939	10.9
127.11208	5.8
129.01828	3.6
129.07085	4.8
131.08574	26.9
133.06450	2.8
133.10146	22.5
135.08060	9.8
135.11710	8.6
137.05997	3.1
137.09612	3.0
141.07016	3.4
143.08598	22.3
145.10132	42.3
146.75687	1.9
147.08037	4.3
147.11693	20.3
149.05980	7.1
149.09555	3.3
149.13307	5.2
151.07507	13.1
155.08551	8.4
157.10149	23.3
159.08116	3.4
159.11708	38.5
161.05920	2.3
161.09697	4.5
161.13272	39.8
163.07541	3.7
163.11244	2.3
163.14854	3.1
169.10106	10.8
171.08070	4.0
171.11693	21.2
173.09636	3.8
173.13277	28.2
175.07526	4.6
175.11212	2.4
175.14821	19.6
181.10156	5.5
183.11693	12.7
184.07312	10.5
185.09605	3.4
185.13284	10.2
187.11180	3.0
187.14885	3.6
189.12857	2.6
193.10254	3.8
193.12239	7.9
195.11743	8.6
197.13345	10.8
199.14830	29.3
205.12411	2.5
207.11917	5.4
207.13858	14.7
209.13336	10.1
211.11255	2.9
211.14867	9.1
213.04054	2.6
213.12762	7.0
213.16342	10.7
215.17996	9.1
217.12201	2.9
219.13879	5.4
221.13255	7.3
221.15428	19.4
223.14931	4.8
225.12784	3.8
225.16412	7.2
227.17993	19.0
229.12402	3.1
231.05099	2.5
231.13892	6.4
231.17432	3.5
233.54523	2.4
235.14861	3.9
237.16432	7.6
239.14282	2.5
239.17970	3.8
243.13734	2.2
249.16460	3.1
251.17908	4.6
253.07108	4.9
253.19571	7.2
255.21097	79.7
256.21298	2.7
265.19531	4.3
267.21057	5.8
277.19550	7.7
279.21057	2.8
283.20612	10.8
293.19009	3.7
295.20657	15.0
299.20053	7.9
301.21613	46.7
313.21692	9.3
323.20184	3.3
325.21765	2.8
335.20230	3.3
341.21194	8.6
345.22205	10.2
359.22183	12.9
363.23267	16.1
367.22867	3.2
373.21609	2.6
381.24323	4.7
391.22672	8.6
409.23740	18.0
427.24850	56.8
429.85715	2.4
449.23389	9.1
467.24088	10.3
485.25595	12.7
487.26917	11.3
495.23761	10.0
513.24487	21.9
531.18848	4.3
531.26453	16.4
532.29736	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	531.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60703	1.1
55.05504	2.2
56.48146	1.3
57.04896	1.0
65.03948	1.5
67.05508	3.1
69.03418	3.4
69.07060	4.0
70.40694	3.0
70.41029	1.3
71.04984	1.3
79.05491	1.9
81.07054	4.3
83.04988	1.2
91.05495	4.4
92.02638	2.4
93.07059	2.8
95.04951	1.4
95.08624	3.2
104.26161	1.1
105.07021	4.7
107.04957	4.6
107.08617	1.9
109.06515	1.1
109.10154	3.0
117.07047	1.8
119.04938	4.4
119.08609	2.1
120.02092	11.0
120.05729	1.0
121.02878	4.9
121.06502	2.3
121.10105	1.2
127.11221	1.8
128.06195	3.2
129.06990	1.9
131.08533	1.1
133.06477	1.5
133.10152	1.6
137.02293	1.9
137.05988	4.6
138.03107	3.2
139.04010	1.3
143.08565	4.5
145.10135	2.2
147.04420	11.0
147.08047	2.3
147.11694	2.1
148.01540	4.8
149.09625	1.8
150.03189	1.3
151.07579	2.7
159.08090	1.5
159.11674	1.5
160.05209	1.7
161.02252	1.6
161.05980	4.9
161.09651	2.8
163.07492	2.4
166.02646	12.6
167.07034	1.6
171.08032	3.7
173.02354	2.6
173.09631	3.9
174.06758	4.9
175.07558	10.7
176.08313	3.5
177.09044	2.7
181.04967	100.0
182.05287	1.5
184.03697	4.6
185.09688	1.8
187.07549	2.8
187.11241	1.1
188.08311	2.1
189.09125	20.7
190.09529	1.3
191.10707	2.6
193.04984	16.7
197.05983	1.6
199.07553	1.5
201.09090	3.9
202.09863	2.8
203.10709	2.8
203.14328	1.5
211.05939	1.6
213.05472	1.7
215.07108	2.4
215.10703	4.1
216.11465	2.6
218.84761	1.1
221.60445	1.2
227.07005	1.4
231.13820	56.0
241.05046	2.3
243.06615	1.3
243.10094	1.5
243.13841	3.7
259.09641	6.4
270.05258	2.2
271.09805	1.6
285.07605	26.2
287.09171	11.3
299.09143	5.7
301.10727	31.1
339.15854	1.6
351.43478	1.1
504.81049	1.5
531.23956	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	530.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.8
55.01875	7.1
55.05518	44.9
57.03445	13.5
57.07086	5.2
60.74926	1.7
63.78794	1.9
65.03943	5.7
67.05510	100.0
67.67395	1.7
67.88503	2.0
68.05862	4.7
69.03430	3.8
69.07070	24.2
71.04990	6.8
71.52143	4.1
72.07162	1.9
73.02918	6.2
79.05502	57.6
80.05817	4.6
81.03412	12.1
81.07063	94.1
82.07411	9.1
83.04991	10.6
83.08624	22.9
83.17047	1.8
84.08910	2.3
85.02915	6.4
85.06540	6.0
87.04471	6.4
91.05491	44.9
92.05836	3.0
93.07051	61.8
93.07643	3.6
94.07382	6.2
95.04984	9.3
95.08619	34.0
96.08949	5.3
97.02909	3.1
97.06551	9.7
97.10176	17.4
99.08098	4.7
103.03989	2.0
105.07037	25.3
106.07359	3.5
107.03048	2.0
107.04981	5.4
107.08611	37.5
108.08971	2.5
109.06551	2.8
109.10162	41.6
109.10807	1.6
110.10451	2.6
111.08119	8.0
111.53679	1.8
117.07043	13.7
119.08584	15.2
120.08977	3.6
121.06500	2.4
121.10150	16.6
122.10468	3.6
123.08106	3.0
123.11720	4.0
125.09647	15.6
129.05502	2.1
129.06993	4.8
131.08568	18.2
132.08907	5.4
133.10141	22.2
134.10475	2.7
135.08072	2.9
135.11731	14.1
136.12044	2.4
137.09647	2.9
143.08606	4.8
143.10651	3.4
145.10155	12.2
146.10565	3.2
147.11714	6.9
148.11990	1.7
149.13275	14.2
150.13626	3.6
151.11203	3.0
157.10184	4.3
159.11725	10.7
160.12073	3.2
161.13362	2.5
163.11238	8.7
166.76221	2.1
171.11661	3.7
171.64941	2.4
173.09546	2.9
173.11780	8.0
173.13197	4.5
175.11308	2.4
177.12793	4.8
181.12239	2.6
183.11610	2.0
185.13347	2.5
191.10742	2.4
195.13818	18.1
199.13290	6.6
202.07355	2.0
209.11774	4.0
223.61981	2.0
227.12756	3.4
229.14345	26.3
257.14008	3.0
267.15952	3.2
269.17477	38.4
301.16574	6.0
411.27158	2.5
423.27499	13.0
438.34634	5.3
456.35379	2.6
495.29565	21.4
512.38239	3.8
513.30579	5.5
530.39264	65.9
556.08771	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	530.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.9
57.03445	6.2
58.60214	4.3
64.06338	3.7
67.05499	16.6
69.03419	11.9
69.07069	9.2
70.19751	16.2
70.20097	5.0
71.05001	36.8
79.05501	17.1
81.03415	5.1
81.07069	23.5
83.04991	12.6
83.08637	4.3
85.06532	5.4
88.35042	4.3
91.05469	19.7
93.07054	14.2
95.04964	11.4
95.08612	18.3
97.06519	7.7
97.10139	5.3
102.52225	4.0
105.07061	20.6
107.08591	15.8
109.10165	8.1
113.12550	4.2
119.08567	8.3
121.02895	5.1
121.06535	9.6
123.04474	5.5
123.08126	4.5
125.09643	11.3
127.11205	12.9
131.08591	9.1
133.06511	4.2
133.10062	5.7
135.08028	15.7
137.05994	27.0
143.08597	4.7
145.10143	8.1
146.27730	4.4
147.08041	7.7
149.09641	5.8
151.03894	6.0
151.07547	35.2
157.10089	6.6
159.08037	18.7
159.11638	4.9
161.05986	36.9
161.09639	12.7
163.07521	34.7
173.09586	7.1
174.06709	5.2
175.07578	74.2
175.11185	5.1
176.08366	4.1
177.09151	23.1
181.04990	15.0
183.27182	4.5
187.07597	5.2
187.11153	6.8
189.09143	13.8
191.10663	18.6
195.11577	6.1
199.11183	5.0
203.10677	5.4
211.11270	5.4
211.13113	8.7
218.63312	4.8
229.12317	28.7
231.13782	22.4
245.11729	6.7
247.13330	100.0
249.14914	9.9
285.17114	5.1
339.78937	4.5
341.17075	5.3
347.34122	4.4
389.20837	6.1
437.22916	7.2
455.24536	5.8
477.26807	6.8
478.46417	5.0
495.27716	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	530.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	17.8
57.03433	7.2
58.67918	5.5
67.05498	28.9
69.03446	10.2
69.07066	19.4
71.05000	43.9
71.51440	7.9
73.68503	7.4
73.68900	7.8
77.90336	6.7
79.05497	16.3
81.03403	6.9
81.07066	28.4
83.05006	9.2
85.06557	8.4
91.05494	18.1
93.07036	15.6
95.08617	21.1
97.10169	6.1
98.07049	5.8
99.04415	6.4
105.07037	18.8
107.04963	11.6
107.08598	22.8
109.10155	24.8
117.07025	8.7
119.04911	7.0
119.08585	22.6
120.02097	13.3
121.06502	16.0
123.08085	6.4
125.09645	27.3
127.11207	99.7
128.06261	9.7
129.07019	7.7
133.10181	7.9
135.08043	9.4
137.05981	25.6
137.06952	6.6
143.08585	8.1
145.06517	8.9
145.10141	11.8
147.08049	9.6
147.11705	7.0
151.07515	11.1
151.11708	6.2
156.06570	6.2
159.08086	30.2
161.05998	16.7
161.09668	7.6
163.07610	16.2
166.02625	10.8
167.06956	9.4
171.07881	7.3
173.09639	15.5
175.07570	37.4
175.11194	8.0
177.05553	9.2
177.09178	14.7
181.04985	100.0
182.05264	34.6
187.07550	28.2
189.09151	22.5
191.07043	9.7
191.10663	16.1
197.13268	6.3
199.11153	16.7
201.12746	9.0
203.10580	12.9
207.10129	15.2
213.12784	7.7
215.10815	12.3
217.12164	9.9
221.64696	7.7
229.12222	11.1
231.13774	21.3
233.15419	8.2
245.11719	15.8
247.13345	14.5
249.14845	10.7
311.12732	6.9
350.18439	13.0
419.22174	14.9
437.23102	18.9
477.26135	11.2
495.27667	7.8
553.07013	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	530.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.7
67.05499	14.9
69.03439	13.7
69.07076	6.3
70.03344	17.5
71.05000	18.2
76.79471	3.2
79.05499	18.0
81.07056	13.3
83.04980	4.7
83.08640	3.1
85.06545	12.9
91.05486	10.8
93.07039	8.7
95.08616	14.2
97.06557	7.5
99.08097	5.4
105.07047	16.9
105.14857	3.0
107.08586	18.7
109.06539	5.7
109.10167	5.8
112.66473	3.1
116.34466	3.3
117.07020	5.7
121.06512	11.4
123.04436	7.6
123.08074	12.2
124.72342	3.2
125.09611	11.1
126.79482	3.4
127.11203	18.2
129.07007	4.9
131.08611	7.4
133.06511	5.6
133.10150	7.2
134.13045	3.5
135.08055	21.0
135.75696	3.0
137.05991	77.5
141.19791	3.4
143.08566	8.1
143.10648	5.5
145.06516	3.9
147.08069	8.4
149.06049	5.5
151.03899	8.2
151.07544	65.7
152.08385	6.7
155.92903	2.9
159.08107	3.4
161.05997	72.4
161.09683	18.2
163.07561	100.0
171.08124	8.1
172.56374	4.2
173.09656	7.0
174.06816	7.5
175.07556	39.4
177.09088	18.6
187.07594	7.1
187.11188	4.8
189.09155	31.6
191.10672	11.1
201.12801	4.9
204.92107	3.7
205.08630	4.8
207.10216	15.4
211.11258	6.6
213.12590	4.8
217.12355	7.7
221.15276	4.5
227.10541	4.8
229.12244	35.6
231.03264	3.7
231.13838	39.5
247.13306	16.7
249.14893	15.7
267.10196	4.4
267.16098	3.7
285.11624	4.3
351.25610	3.5
477.26007	4.4
495.28091	6.2
520.92493	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	530.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01872	0.4
55.05515	7.4
65.03921	0.3
67.05486	1.1
69.03433	3.0
71.04962	0.3
72.08160	0.3
72.83371	0.3
79.05491	1.3
81.07066	1.6
83.04498	0.5
83.04987	8.4
85.02905	0.5
86.09696	0.5
91.05489	2.9
93.07044	1.0
95.04966	2.3
97.02878	1.4
97.06529	0.6
103.05474	0.5
105.07051	2.4
107.04977	0.4
107.08593	0.4
108.03647	0.3
109.05149	0.6
109.06522	0.7
110.03539	3.5
115.03940	1.3
115.05451	0.9
117.07008	1.7
119.04906	0.5
119.08572	0.9
121.06537	1.4
123.04446	0.4
125.05983	0.4
127.03955	0.4
128.04590	0.7
128.06244	1.4
129.07018	1.5
130.07845	0.3
131.04936	0.4
131.08565	1.2
133.06503	0.7
133.10222	0.3
135.03027	11.5
135.08020	0.6
137.06020	0.3
141.06970	1.4
142.07809	0.6
143.08549	1.9
145.06464	1.0
145.10146	0.8
145.75739	0.3
147.04442	0.5
147.08043	1.1
149.05997	0.3
152.05682	100.0
153.04083	8.3
153.05328	0.5
153.07010	0.5
154.07819	1.5
155.08560	1.7
157.06453	0.6
157.10121	0.8
159.08052	0.6
159.11708	0.5
161.05980	0.6
161.09677	0.3
165.05493	0.3
165.07036	0.4
166.07729	0.3
167.07135	0.3
167.08577	1.1
169.06665	0.3
169.10120	2.5
171.08066	0.8
171.11681	0.5
173.09648	0.8
175.07507	0.3
177.28822	0.3
178.07349	0.7
179.08577	0.8
182.07285	0.5
183.08046	0.5
185.09653	1.1
187.11217	0.9
189.09178	0.6
191.07117	0.4
197.09625	2.7
199.11305	0.4
201.09108	0.9
204.68953	0.3
213.09114	0.9
215.10727	1.6
216.08783	0.5
225.09099	1.2
231.10136	0.5
234.09746	0.4
243.10213	2.9
261.11234	2.7
309.45212	0.3
382.15356	0.7
394.15128	1.0
400.16275	0.4
412.16229	4.0
430.17227	10.2
448.18234	5.5
512.20313	0.4
530.22479	42.6
531.22888	1.5
536.39777	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.1
51.63421	0.9
53.03948	5.6
55.01871	1.9
55.05512	15.6
57.03421	3.1
57.07079	4.6
59.49693	1.0
65.03929	3.0
67.05507	54.5
69.03418	1.3
69.07073	20.6
71.04987	3.1
71.08626	1.2
71.10709	1.2
71.11031	1.5
73.90694	0.9
77.03913	1.0
79.05495	44.2
81.03426	8.7
81.07057	54.6
82.03741	1.4
82.07387	1.0
83.04972	3.2
83.08620	12.5
85.06538	2.3
87.04467	19.8
88.07610	1.6
91.05479	30.0
93.07047	42.4
93.07645	2.0
94.07374	1.5
95.04950	4.6
95.08611	30.8
97.06520	6.0
97.10162	4.0
99.08096	1.6
100.97483	1.0
102.09182	2.3
104.06225	1.1
105.04489	1.2
105.07034	22.4
106.07400	1.0
107.04961	1.6
107.07883	1.3
107.08598	22.3
109.06541	2.1
109.10150	11.1
111.08093	3.5
111.11684	1.0
117.07027	10.0
119.08585	17.2
121.06515	2.0
121.10140	17.6
121.10946	1.6
123.08092	2.2
123.11711	4.1
125.09662	1.8
128.06229	1.8
129.07005	7.1
131.08575	17.8
133.09166	0.8
133.10129	15.5
135.11719	10.4
141.06998	1.6
142.07744	1.0
143.08592	4.4
145.10132	12.5
147.11711	7.6
149.09645	1.6
149.13258	10.5
155.08537	2.3
157.10162	7.3
159.11691	14.2
161.13289	4.3
167.14365	1.1
169.10136	3.1
171.11670	4.5
173.13293	5.4
175.14868	1.4
177.12778	2.1
181.10179	1.4
183.11748	1.6
185.13318	3.2
187.14853	2.8
193.12245	2.7
195.11859	1.4
195.13849	3.7
197.13287	1.9
198.13689	1.1
199.14856	2.1
201.16389	1.7
207.10165	0.9
209.13403	1.3
211.14830	1.2
213.16545	1.5
225.16466	1.3
233.15610	0.9
237.16367	1.1
243.21086	1.5
255.17458	1.0
256.26382	11.3
261.22208	2.8
299.23727	1.3
417.29953	1.1
419.33063	2.3
437.34229	8.8
455.35239	3.3
471.35196	1.1
473.36334	1.8
511.37753	3.3
529.38867	100.0
530.38812	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	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.2
53.03953	4.4
55.01876	2.6
55.05517	20.7
57.03442	4.3
57.07071	2.8
58.31222	1.0
65.03944	3.1
65.45529	1.1
67.05509	61.3
69.07069	18.9
69.94147	2.3
69.94536	2.7
71.04990	3.0
71.08618	1.1
74.58072	1.0
74.82003	1.1
77.03946	1.5
79.05499	46.5
80.06265	1.1
81.03416	2.7
81.07063	69.1
83.05009	2.7
83.08630	10.1
85.06551	1.9
87.04440	1.0
91.05491	33.5
93.07054	50.5
93.88033	1.2
95.04973	5.1
95.08611	36.7
97.06543	4.8
97.10188	3.2
99.08143	1.3
103.05551	1.2
105.04544	1.6
105.07030	24.0
107.08600	27.1
109.06520	1.6
109.10171	10.1
111.08125	3.5
117.07032	14.6
119.08595	19.3
121.10155	22.1
123.11724	3.8
128.06293	1.6
129.06999	6.6
131.08574	22.9
133.10149	17.1
135.11702	11.7
137.20651	1.2
139.11150	1.1
141.07050	1.2
143.08572	7.5
145.10143	15.5
147.10442	0.9
147.11708	6.8
149.09734	1.2
149.13286	13.9
155.08574	4.4
157.10146	6.4
159.11705	13.6
161.13303	4.3
163.14870	1.4
169.10159	4.0
171.11653	6.3
173.13261	8.1
175.14825	1.9
177.12755	3.0
181.10207	1.3
183.11827	2.4
185.13313	4.5
187.14902	4.5
195.12228	1.3
195.13721	5.9
197.13245	2.3
199.14903	2.2
199.43553	1.1
201.16447	1.6
209.13290	1.5
211.14923	1.5
213.16525	2.4
223.15031	1.7
227.17911	1.5
259.20663	1.6
261.22195	4.9
285.22324	1.8
379.23523	1.2
406.30832	1.1
419.33170	1.7
426.47827	1.3
437.34140	10.5
455.35321	4.5
473.36255	2.1
511.37650	6.2
529.39001	100.0
529.50616	3.8
530.39478	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	529.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.8
53.03944	4.9
55.01865	2.5
55.05278	1.3
55.05516	20.1
57.03424	4.5
57.07069	3.6
65.03934	3.6
67.05508	64.1
69.03403	1.2
69.07073	22.7
69.33218	3.9
69.33641	4.6
71.04981	4.3
71.08625	1.8
79.05495	54.5
79.37823	1.0
81.03425	1.9
81.07060	67.2
83.04987	4.5
83.08625	13.8
85.06540	3.5
91.05484	36.5
93.07045	57.5
95.04984	5.3
95.08609	34.7
97.06012	1.1
97.06507	5.6
97.10187	2.7
99.08063	1.5
105.04549	2.2
105.07034	23.5
107.08601	31.3
109.06536	2.5
109.10176	10.5
111.08089	2.9
115.05466	1.6
117.07016	13.0
119.08582	18.9
121.06461	1.6
121.10155	21.1
123.11704	3.7
125.09642	1.6
128.06271	1.4
129.06993	5.2
131.08562	23.9
133.10123	14.8
135.11684	12.9
141.07028	1.7
143.08545	7.0
145.10133	15.2
147.11662	8.2
149.09647	1.3
149.13254	16.9
151.11168	1.4
155.08546	2.1
157.10138	6.8
159.11707	13.4
161.13240	6.1
163.14841	1.6
168.09549	1.2
169.10165	3.8
171.11679	6.7
173.13293	6.5
175.14857	2.4
177.12779	3.3
181.10014	1.5
183.11732	3.6
185.13312	4.2
187.14847	4.0
195.11972	1.9
195.13846	5.8
197.13251	2.9
199.14880	2.9
201.16508	1.9
211.14864	2.4
213.16394	1.4
223.14868	1.2
225.16414	1.4
241.19624	1.2
243.21199	1.8
259.20480	1.4
261.22214	4.2
284.26654	1.4
289.21646	1.8
299.23776	1.2
317.24750	1.4
325.25467	1.1
419.33246	2.8
437.34106	9.4
455.35217	3.9
473.36758	2.7
493.36691	1.5
511.37637	5.0
529.38934	100.0
529.50092	5.7
530.39404	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	529.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.5
55.01883	1.5
55.05514	19.1
57.03189	0.9
57.03440	4.8
57.07069	2.8
60.97132	0.8
65.03935	2.9
67.05508	51.3
69.07072	16.0
71.04990	2.8
71.52125	2.3
77.03915	1.0
79.05497	40.9
81.03416	6.3
81.07058	54.2
83.04982	4.1
83.08627	10.3
85.06554	2.8
87.04489	2.7
91.05485	32.9
93.07047	43.0
95.04962	6.6
95.08610	27.4
97.06546	3.8
97.10172	3.7
99.08091	1.2
102.09167	1.1
105.04505	1.3
105.07030	21.9
107.08596	20.4
109.06529	1.8
109.10156	10.8
111.08087	2.9
115.66386	1.1
117.07029	12.4
119.08588	16.8
121.06570	1.7
121.10153	17.4
123.08107	2.0
123.11727	3.8
125.09590	1.3
128.06244	1.5
129.07028	6.2
130.07803	0.9
131.08575	19.3
133.10144	15.4
134.12231	1.1
135.11700	10.5
137.13367	1.4
141.07040	1.8
143.08540	7.0
145.10123	14.9
147.11713	7.5
149.09653	1.6
149.13281	11.2
155.08591	3.0
156.09267	1.3
157.10115	7.0
159.11711	13.2
161.13286	3.9
163.14876	1.2
167.08571	1.6
169.10178	4.0
171.11702	8.4
173.13260	6.6
175.14839	1.5
177.12834	2.0
181.10208	1.1
183.11703	3.7
185.13271	3.7
187.14854	3.1
189.16374	1.2
193.12334	1.7
195.11928	1.7
195.13879	3.2
197.13304	2.6
199.14899	3.0
201.16479	2.1
211.14958	1.2
213.16585	1.1
256.26367	9.0
261.22195	2.7
297.22214	1.0
311.23773	1.1
419.33292	2.7
427.35501	1.2
437.34171	9.2
455.35449	4.4
473.36581	1.9
511.38016	4.9
529.38922	100.0
530.39349	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.6
53.03947	4.8
55.01871	1.9
55.05514	23.2
55.43583	0.8
57.03449	6.2
57.07087	2.6
63.70167	0.9
65.03939	3.4
67.05511	60.5
68.05833	1.0
68.13502	0.9
69.03430	1.9
69.06731	1.9
69.07076	21.4
71.04993	3.7
79.05499	50.1
79.77397	0.9
81.03438	5.8
81.07065	69.2
83.04990	5.4
83.08630	11.6
85.06548	3.5
91.04911	1.3
91.05489	33.9
93.07050	55.8
95.04973	5.7
95.08617	30.9
97.06553	7.0
97.10182	2.9
98.20773	1.9
99.08098	1.1
105.04548	2.7
105.06322	1.1
105.07033	22.7
105.07689	1.5
106.93163	0.9
107.04981	1.7
107.08601	28.1
107.09309	1.8
109.06527	2.3
109.10164	11.4
111.08098	3.9
115.05484	1.4
117.07018	10.8
119.08591	17.9
121.06493	1.3
121.10150	24.8
123.08073	1.2
123.11744	3.5
125.09614	1.5
129.07027	6.8
131.08582	18.6
131.09546	1.5
133.10144	14.5
134.10437	1.0
135.08072	1.8
135.11707	11.4
141.06993	1.6
143.08603	5.7
145.10120	12.2
147.11682	7.7
149.09642	1.5
149.13275	18.4
151.11240	2.3
155.08624	2.9
157.10133	6.4
159.11703	14.3
161.13239	5.0
163.14812	1.4
169.10138	2.0
171.11708	4.6
173.13286	6.6
175.11221	1.5
175.14899	2.7
177.12796	3.4
181.10283	0.9
183.11763	2.1
185.13319	3.4
187.14906	3.7
193.12440	1.5
195.13843	7.8
197.13278	2.3
199.14894	1.8
201.16394	1.1
211.14885	1.1
213.16484	1.9
223.14815	1.0
225.16460	1.1
241.19673	1.0
256.26572	1.1
261.22238	3.7
299.23828	1.4
409.34775	1.1
417.42215	0.9
419.32956	2.2
437.34164	6.7
455.35309	3.2
473.36520	1.9
475.35635	1.1
511.37827	3.6
529.38922	100.0
530.39203	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	529.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.01857	0.6
55.05513	4.5
57.07053	1.9
65.03931	0.9
67.05508	12.9
69.03441	1.1
69.07066	3.7
70.06567	1.8
71.08610	1.0
71.51633	1.3
73.02899	0.7
79.05499	7.2
81.03421	4.2
81.07060	12.3
83.08586	2.7
87.04449	1.2
89.06017	1.1
91.05492	6.7
93.07043	8.8
95.04968	1.7
95.08613	7.7
97.06540	1.1
97.10173	0.8
105.07042	5.7
107.08614	5.1
109.10181	3.4
116.86858	0.8
117.06985	1.8
119.08564	2.7
120.51621	0.8
121.10123	3.2
129.06952	1.7
131.08542	3.6
133.10069	2.4
135.11678	1.9
143.08525	0.9
145.10098	2.2
147.11682	2.3
149.13200	2.4
157.10139	1.6
159.11642	2.5
173.13190	1.1
193.12022	1.0
195.09908	2.2
195.13710	1.1
251.12476	1.3
272.25717	0.9
284.26724	0.8
319.16791	0.8
375.23050	1.8
437.34000	1.2
528.49384	3.0
529.34680	100.0
529.50079	5.7
530.34998	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	529.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
53.07811	1.8
55.01867	4.4
55.05515	11.1
57.03440	4.5
59.04995	9.4
65.03931	2.4
67.05511	11.5
69.03438	29.3
69.07073	6.0
69.90141	10.8
71.04983	6.2
75.04487	4.1
76.19527	2.0
76.44682	2.0
79.05500	10.5
81.03429	3.5
81.07075	17.2
82.96519	1.8
83.04980	7.5
85.02883	2.0
85.06559	6.4
87.04437	3.0
91.05486	17.2
93.07072	12.2
95.04972	8.9
95.08620	15.0
97.02882	6.0
97.06569	11.3
97.10186	3.0
103.05488	3.6
105.07045	21.0
107.04989	4.1
107.08614	14.1
109.06532	6.7
109.10163	3.6
111.04460	2.9
111.08123	2.4
113.05968	2.6
113.09661	2.2
117.07036	3.4
119.04990	1.9
119.08593	10.3
121.06516	11.8
121.10136	4.9
123.04434	3.7
123.08078	12.8
125.09645	6.9
128.06245	4.3
129.07019	5.3
131.08560	10.1
132.29967	1.9
133.06517	6.0
133.10147	5.6
133.80940	2.0
135.08054	12.6
137.06006	20.0
137.09578	2.2
141.07011	5.8
142.07747	3.0
143.08588	7.3
143.10614	3.6
145.06494	3.1
145.10197	5.0
147.08105	9.5
147.11745	4.2
149.06012	7.0
149.09642	8.5
151.07556	52.5
153.07013	2.9
155.08545	4.3
156.09384	3.1
157.10124	5.7
159.08089	20.4
159.11765	4.5
160.05180	3.7
161.05986	24.6
161.09656	12.4
162.06787	5.2
163.07549	19.1
163.11217	5.1
169.10144	4.1
171.08089	5.5
171.11673	4.8
172.08859	3.2
173.09689	13.4
174.06821	5.1
175.07567	100.0
175.11130	5.4
177.09097	15.6
179.08551	2.4
181.10193	5.3
183.08170	2.9
183.11670	2.7
184.08897	3.2
185.09642	3.1
187.07574	16.1
187.11205	8.4
188.08356	6.6
189.09120	38.7
189.12790	5.7
191.10651	20.3
193.10202	2.6
193.12126	1.8
197.09608	4.0
197.13272	2.2
199.07547	2.4
199.11163	9.7
201.09125	8.6
201.12808	3.7
202.09756	2.1
203.10707	16.9
205.08636	36.7
205.10368	3.7
207.11703	2.9
209.07916	2.4
209.09741	4.1
209.13387	2.1
210.15013	2.5
211.07474	2.5
211.11351	2.5
212.08354	8.3
213.09158	3.2
215.10767	9.3
217.12233	7.2
219.10139	3.6
219.13802	2.1
223.11212	2.9
227.10670	31.3
227.14311	2.2
229.12279	10.6
231.13847	5.0
233.11711	7.4
237.12787	3.8
239.14352	2.3
245.11732	41.4
247.13403	4.0
249.14870	4.1
255.10191	2.0
263.12790	32.7
265.14551	2.4
269.11887	2.1
281.11862	2.0
287.35236	2.0
309.14767	3.7
337.14297	3.3
344.11792	2.1
369.16617	2.5
395.18515	3.1
423.21722	2.4
435.21710	4.1
453.22733	7.2
475.24945	2.8
483.27725	2.6
493.25937	3.0
511.26965	2.7
529.27576	10.6
539.10553	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.7
55.05507	7.9
57.82539	2.0
59.04992	2.3
63.45082	1.8
65.03947	1.7
67.05504	12.8
69.03418	5.5
69.07053	5.1
71.04999	26.5
71.50473	1.8
79.05486	6.4
79.37941	2.0
81.07056	12.7
83.04956	4.4
91.05491	18.4
93.07056	9.9
95.04957	3.1
95.08602	7.8
97.06528	3.5
99.08114	2.2
105.07030	12.3
107.04929	1.8
107.08585	11.7
109.06509	4.5
109.10170	15.7
114.43987	1.8
115.13345	1.8
117.07036	5.7
119.08593	7.6
120.02139	1.9
121.06507	7.9
121.10146	4.0
123.08066	4.1
124.89095	1.8
125.09655	7.6
127.11200	53.6
128.06209	2.3
129.06972	3.4
131.04991	2.5
131.08594	8.9
133.06511	4.6
133.10130	5.8
135.08064	10.8
137.06006	13.2
137.09659	2.4
142.07671	2.8
143.08597	5.0
145.06482	3.5
145.10141	5.8
147.08064	9.4
147.11610	2.1
149.05989	5.6
149.09625	3.3
150.06787	2.1
151.07558	12.3
155.08528	2.7
157.06561	2.7
157.10139	3.6
159.08054	10.5
159.11739	5.1
160.05174	4.4
161.05977	12.1
161.09586	4.2
163.07529	13.5
163.11214	4.6
163.61725	2.0
164.08243	2.0
165.09183	14.1
167.07112	3.2
171.11729	3.5
172.08807	3.2
173.09578	3.4
173.13289	4.4
174.06773	5.3
175.07564	100.0
175.11157	4.9
177.09056	12.4
178.09970	3.3
181.04988	30.7
183.11710	2.7
185.09712	3.0
185.11362	1.8
186.10387	2.6
187.07579	4.1
187.11168	9.6
188.08284	3.3
189.09172	12.5
191.10725	5.6
193.08585	5.0
193.10196	2.5
194.74557	2.2
195.08035	2.2
199.07495	2.2
199.11270	2.4
201.09074	3.5
201.12753	6.1
203.10704	6.9
205.12267	5.3
211.11197	2.7
214.09900	4.9
215.10649	2.3
217.99696	2.1
229.12270	44.5
230.12933	3.1
231.13838	5.3
235.14783	2.4
245.15393	3.1
247.13307	62.7
247.17020	3.3
255.14114	2.7
264.17276	2.0
267.13620	2.0
275.20169	2.0
277.12158	2.3
451.28137	2.7
461.27808	2.1
493.29575	4.3
511.30420	2.5
529.31464	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55499	1.3
53.03945	3.5
55.01869	3.4
55.05516	9.1
57.03425	3.9
59.04993	6.2
65.03944	3.2
67.05511	12.2
69.03432	26.8
69.07074	4.4
69.25906	2.6
69.26311	10.4
71.04992	4.0
75.04484	2.7
77.67653	1.3
79.05499	11.9
81.07059	12.9
83.04975	6.0
83.08593	2.6
85.06543	3.8
87.04479	4.6
91.05473	16.5
93.07039	11.9
95.04975	8.6
95.08612	15.6
97.02897	4.4
97.06552	8.1
97.10143	3.2
98.20726	3.0
103.05474	1.4
105.07038	18.8
107.04976	3.2
107.08118	1.1
107.08613	11.9
109.06545	7.9
109.10153	2.8
111.04378	1.7
111.08101	1.9
113.06005	3.3
115.05448	2.8
116.06191	1.4
117.07029	4.1
119.04899	2.0
119.08595	10.7
121.06525	17.6
121.10175	2.6
123.04432	4.3
123.08070	10.9
125.05986	2.0
125.09650	5.7
127.03960	1.7
128.06221	5.2
129.07002	7.4
130.07838	1.7
131.08560	9.0
132.05702	1.9
133.06502	5.8
133.10130	6.1
135.08044	14.0
137.05975	20.1
139.03912	2.2
141.06995	3.3
141.09111	2.4
142.07796	3.5
143.08554	7.5
143.10678	3.9
144.09387	1.5
145.06497	3.4
145.10114	8.2
147.08086	11.5
147.11714	2.1
149.06009	5.1
149.09647	8.3
151.03883	3.3
151.07552	49.1
153.07001	1.6
155.08585	3.9
156.09412	4.2
157.10127	4.5
158.07303	3.2
159.08083	15.7
159.11705	4.7
160.05173	3.8
160.08891	1.9
161.05991	23.4
161.09633	13.1
162.06754	4.5
163.07558	16.3
163.11226	3.4
164.08276	1.5
165.06978	3.0
165.09135	1.6
166.07863	2.0
168.09453	1.7
169.10100	3.0
171.08080	4.8
171.11703	5.2
173.09610	11.8
173.13292	2.2
174.06793	8.2
175.07561	100.0
175.11153	5.3
176.08070	1.6
177.09116	16.2
179.06984	1.5
181.10095	4.7
182.07254	1.6
183.08078	3.4
183.11717	3.0
184.08891	3.1
185.09636	5.4
185.13245	1.6
187.07544	17.1
187.11206	5.9
188.08305	5.6
189.09114	36.2
189.12830	2.8
191.07043	2.0
191.10669	21.8
193.10124	3.2
195.08047	1.5
195.11765	2.5
196.08928	1.8
197.05986	3.3
197.09621	2.9
199.07629	1.7
199.11157	7.9
200.08298	2.5
201.09145	9.4
202.09930	2.4
203.10699	13.0
203.14359	1.3
205.06818	2.6
205.08624	32.9
205.12321	1.6
207.10091	2.3
207.11853	2.5
209.07938	2.8
209.09644	4.7
209.13316	2.1
211.07533	1.5
211.11220	4.1
211.14920	2.3
212.08348	9.4
213.09215	2.7
213.12862	1.6
214.09891	1.5
215.10638	10.0
217.12183	8.8
219.10075	2.4
223.11223	2.4
224.11890	1.6
225.12819	2.5
227.10693	29.5
227.14247	2.9
228.11339	1.9
229.12282	12.4
231.13809	6.3
233.11653	6.8
237.12733	2.4
241.12262	2.5
245.11749	37.7
245.15575	1.5
247.10982	1.6
247.13345	5.4
249.14948	1.5
251.10794	2.0
251.14130	1.3
262.53140	1.4
263.12781	33.1
267.13998	1.8
275.14236	1.4
311.12781	1.6
321.18365	1.6
337.14380	3.4
407.22556	2.2
425.23270	3.0
435.21429	5.2
453.22748	4.7
483.27219	2.5
493.25922	4.5
501.28104	2.3
511.26953	2.0
529.27594	11.8
543.11237	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.3
55.01863	8.6
55.05517	23.4
57.03421	8.1
59.04988	6.1
61.02919	4.7
67.05505	4.8
68.99779	2.1
69.03436	30.5
69.07056	2.5
70.06602	3.3
70.79639	3.6
71.04986	6.7
73.02897	5.1
79.05481	10.6
81.02993	2.9
81.03424	35.2
81.07056	11.8
83.04984	28.4
83.08566	2.7
84.04498	2.5
85.02907	63.2
86.09702	5.5
87.00835	22.7
91.05488	10.4
93.07058	11.5
95.04967	16.3
95.08595	3.4
97.02890	18.8
99.04453	9.2
101.06005	10.2
105.01880	15.8
105.07047	17.4
107.08602	13.7
109.02886	30.7
109.06523	9.5
109.10140	3.1
111.04443	2.0
114.05492	2.5
117.01816	2.4
117.06984	5.7
119.08591	20.5
121.06522	6.1
121.10164	16.5
125.05991	2.4
127.03920	47.5
128.06233	2.3
129.01886	3.4
129.06992	3.7
130.07762	3.5
131.08553	4.2
133.10138	10.5
135.08063	5.8
135.11671	5.5
137.09576	4.8
138.40013	1.9
142.07863	2.1
143.08562	5.0
145.04965	16.8
145.06483	3.0
145.10124	14.4
147.02873	3.0
147.08031	19.6
149.09598	2.9
157.10094	4.8
159.02888	17.7
159.08026	9.0
159.11710	3.4
161.09641	13.1
161.13249	3.3
163.11189	100.0
163.12566	4.8
165.09157	5.1
171.08020	2.7
175.11163	4.1
177.09087	9.5
179.10706	4.5
181.08687	2.2
181.12248	11.7
185.13324	2.9
187.11122	3.3
189.03886	2.3
189.09113	6.8
199.14772	2.4
203.14354	9.4
205.12198	5.9
207.10106	18.9
213.03928	2.9
223.13301	8.9
227.14363	4.0
231.05006	13.8
233.15340	3.8
245.15369	18.9
258.27567	2.3
263.16467	30.9
266.13812	2.3
281.17392	14.1
380.17093	2.9
381.17386	4.4
393.15601	3.1
396.20248	2.2
411.16275	2.7
429.17520	2.5
467.21274	3.3
488.81656	2.1
511.21417	4.2
529.22845	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	528.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.9
55.05516	27.4
57.03436	5.5
57.07076	4.0
67.05515	58.2
67.62237	3.6
68.05833	3.8
69.03439	5.5
69.07072	27.9
71.04993	15.7
71.51073	3.8
71.51633	4.9
79.05496	44.1
81.03408	14.8
81.07064	66.3
83.04971	5.3
83.08626	16.2
85.06511	4.4
87.60564	3.4
89.06026	4.2
91.05481	60.1
93.07050	65.7
93.22507	3.6
95.04977	13.4
95.08614	48.9
97.10178	11.2
105.07031	47.9
107.08586	57.7
108.08932	5.1
109.06501	5.7
109.10159	51.2
110.10538	3.3
111.09351	3.2
115.05468	4.7
117.07011	11.0
119.08598	29.6
120.08894	4.4
121.06504	5.6
121.10163	25.9
122.10555	4.2
123.11719	14.0
125.09637	13.5
127.11184	42.9
128.06239	7.4
129.07008	14.7
129.54633	3.6
130.07361	6.4
131.08588	30.6
133.10141	19.1
134.10432	3.6
135.08076	8.4
135.11691	52.9
137.06032	4.0
137.09557	3.2
137.13310	5.1
141.07036	6.3
142.07762	11.3
143.08588	19.5
144.08890	8.0
145.10103	38.3
147.11688	15.0
149.09465	4.6
149.13264	11.6
149.58868	3.7
149.91074	3.7
155.08582	10.2
157.10155	26.9
158.10501	7.2
159.11711	26.3
160.12128	6.9
161.09648	4.1
161.13283	4.5
163.07527	4.5
163.11183	8.1
163.14775	4.4
167.08449	4.1
169.10130	12.1
171.11729	18.8
173.09569	7.8
173.13295	8.9
177.09030	4.7
181.10081	7.4
183.11678	10.5
185.09610	4.6
185.13260	13.4
186.13599	5.9
187.11154	6.5
187.14856	11.0
189.09181	4.4
193.10159	3.5
193.12259	8.8
195.11781	7.9
196.12161	5.0
197.13332	9.5
198.13458	4.2
199.14876	7.7
200.15184	4.2
201.16362	16.9
208.12376	4.3
209.13120	8.4
211.10985	4.1
211.14864	4.8
223.14841	8.2
225.12914	5.2
231.13806	5.1
237.16553	4.2
245.15262	9.0
251.17812	4.5
254.43234	4.5
263.16406	8.8
283.26401	4.5
303.67212	4.2
317.22668	4.7
323.23886	5.9
341.24695	4.0
351.23099	7.4
357.83908	3.8
405.31805	4.1
415.30191	5.0
418.31879	6.2
433.31125	9.2
436.33072	11.4
451.32114	9.1
454.34116	5.9
510.36536	13.5
528.31567	3.9
528.37683	100.0
528.45465	5.3
529.38867	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	526.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56353	1.3
55.05498	3.9
57.07078	60.2
67.05498	5.3
68.69749	1.2
69.07072	8.1
71.08237	2.6
71.08635	53.4
71.52364	2.0
73.06538	5.3
79.05492	3.0
81.03428	3.1
81.07050	4.7
83.08621	5.1
85.10185	34.0
86.09764	1.7
87.04473	2.8
89.06036	100.0
91.05482	2.5
93.07041	3.8
95.04958	1.7
95.08597	2.8
97.10159	3.5
99.11729	5.9
105.07011	3.3
107.08577	3.1
109.10146	4.0
111.11723	3.2
113.13289	5.7
117.09127	3.4
119.08557	2.3
121.10140	1.7
125.13293	3.3
127.14827	3.5
130.08653	1.8
131.08443	1.7
133.08612	70.2
143.11290	1.8
145.10159	2.0
145.99075	1.5
148.07173	1.4
156.56355	1.7
157.10068	1.4
158.16632	1.4
165.33730	1.5
173.13391	1.4
177.11234	22.3
184.07332	4.1
185.13260	1.6
193.12273	2.3
195.12271	1.7
196.31342	1.5
221.13844	4.1
239.14867	3.8
271.26276	1.8
283.17493	3.6
315.28745	3.2
327.20163	18.8
509.40543	14.8
526.25677	3.7
526.36090	4.5
527.37030	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	526.411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.05515	16.2
57.03436	9.0
57.07071	6.0
58.81616	1.3
59.05010	3.8
65.03961	1.9
67.05508	95.2
69.07073	11.9
69.22527	9.4
69.22951	3.9
71.04983	2.9
74.09729	2.5
79.05482	8.4
81.06591	2.2
81.07065	37.0
83.08627	11.9
85.06543	2.9
87.04470	2.4
89.06033	36.8
91.05499	10.0
93.07048	10.8
95.08049	2.9
95.08609	24.7
97.06552	1.4
97.10150	4.9
99.08089	2.2
103.70161	1.6
105.07047	3.6
107.08610	5.5
109.10162	59.8
111.08082	2.6
112.01217	1.5
119.08614	7.6
121.10116	3.2
123.11720	4.4
133.08597	25.1
133.10144	3.0
137.09660	2.4
147.11728	1.7
149.13229	1.9
154.62128	1.7
155.10693	6.6
161.13235	2.1
163.14819	1.8
173.11743	17.3
175.14856	2.5
177.11258	8.0
198.41203	1.4
229.14368	59.3
245.22688	2.6
263.23779	5.4
327.20035	14.4
337.27380	61.7
420.24103	1.7
491.37347	100.0
492.37891	2.1
526.52179	2.0
539.90619	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.01870	1.9
55.05515	72.2
55.34145	1.1
56.05050	1.8
56.05838	1.1
57.03425	1.6
65.03938	1.3
67.05492	3.9
68.05016	1.5
69.03430	14.1
70.06596	1.3
71.51141	1.9
74.02438	1.5
79.05507	4.9
80.05031	1.2
80.44554	1.3
81.03448	1.5
81.07072	3.2
82.06588	8.6
83.04987	100.0
84.04510	40.3
85.02917	10.8
86.07836	1.0
91.05493	15.4
93.07043	4.1
94.06596	5.4
95.04967	5.9
96.04510	2.3
96.08119	2.2
97.02895	2.0
98.06068	1.1
100.11288	1.5
102.05543	17.7
103.05479	2.5
105.07040	10.8
107.04966	3.5
107.08602	1.5
108.08116	4.0
109.02930	1.2
109.06515	3.3
110.06032	4.9
110.16795	1.0
111.04433	3.2
113.06056	2.0
114.05572	2.4
115.03883	1.1
115.05446	3.4
117.07014	7.4
118.06555	1.1
119.04973	2.5
119.08569	2.8
119.20127	1.0
120.08122	4.9
121.06499	5.9
121.10163	1.1
123.04357	1.2
128.06229	3.7
128.07098	3.1
129.06992	7.5
130.05013	13.0
130.07841	1.1
131.04953	1.7
131.07466	1.0
131.08559	5.8
132.08116	1.4
133.06496	4.3
133.10100	1.5
134.09651	1.6
135.04405	1.6
135.08066	2.5
136.07552	3.5
137.05998	2.8
138.05496	6.8
138.09119	1.6
140.07002	1.4
141.06987	3.7
142.07790	2.1
143.08569	6.3
144.08099	3.4
145.06508	5.0
145.10175	6.8
146.06075	1.4
146.07315	1.4
146.09630	1.5
147.07022	1.2
147.08046	5.4
148.06053	25.4
148.07561	3.8
149.05968	4.7
151.07567	1.5
152.06146	1.3
153.07030	2.3
154.07765	3.7
155.08586	6.5
156.06584	9.4
156.09344	1.3
157.06483	1.4
157.10086	1.9
158.09613	1.2
159.08086	6.5
159.11710	1.3
160.07689	1.1
160.11211	1.0
161.06015	2.5
161.09694	1.4
163.07645	1.8
164.07079	2.8
166.08698	1.9
167.07187	2.1
167.08551	1.9
169.08888	1.1
169.10115	6.0
170.09576	1.6
171.08041	5.0
172.07590	1.5
173.06030	3.4
173.09634	10.2
174.07649	2.6
174.09077	1.5
175.07623	2.4
179.07019	1.8
179.08426	1.4
182.08116	3.4
183.08095	3.5
184.06090	2.3
185.09622	2.7
186.09105	1.7
187.07518	2.3
187.11205	2.4
188.10666	1.9
189.09193	2.1
190.08665	1.8
191.07022	3.6
194.08176	3.5
197.09669	7.2
199.07603	1.4
199.11212	3.4
200.09178	3.3
201.09123	8.8
202.07094	2.8
202.12335	1.4
203.10600	2.2
204.10286	1.4
205.08583	3.4
212.09119	1.9
212.10834	1.5
213.09148	2.3
214.12296	1.5
215.10678	8.7
216.10086	1.5
217.08670	8.1
217.12291	1.3
219.10252	2.5
224.09068	1.2
225.09081	2.8
228.08600	3.0
230.10181	3.2
231.10249	4.0
232.09767	2.5
233.11589	2.1
242.11678	1.2
243.10190	19.0
260.09094	1.2
260.12921	1.8
261.11230	28.1
269.63763	1.0
274.10931	1.9
276.12344	1.4
278.13889	3.6
279.12109	4.9
296.11377	3.6
298.14313	1.7
320.11246	1.4
324.92938	1.0
326.13947	1.6
344.15076	5.3
354.13077	1.1
361.16449	10.9
362.16000	6.4
372.14374	3.8
378.15543	4.1
379.17615	2.4
380.16895	8.6
390.15424	9.1
398.18115	3.3
408.16541	65.5
409.17047	1.1
426.17593	20.8
480.22299	2.6
508.21793	12.5
526.15515	1.6
526.22931	27.7
550.33850	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01871	3.9
55.05515	87.4
56.05013	2.5
57.03424	3.6
65.03954	2.5
67.05506	3.9
68.05024	3.9
69.03432	36.8
70.06596	4.5
70.29886	3.8
70.30283	3.7
74.02447	3.3
79.05477	7.2
81.03409	3.4
81.07059	2.6
82.06586	17.3
83.04984	100.0
84.04510	74.0
85.02921	10.0
85.06586	1.7
86.06061	6.0
86.09684	1.8
91.05482	19.3
93.07043	11.1
94.06572	5.1
95.04986	10.9
95.08567	2.1
96.04489	5.1
97.06506	2.7
98.06065	4.7
98.20818	2.5
99.04487	1.7
99.06802	2.1
101.06010	2.7
102.05540	17.4
102.13734	1.7
103.05457	4.3
105.07035	16.8
107.04935	5.5
107.08537	2.0
108.08098	3.9
109.06523	5.6
110.06039	14.1
111.04443	7.3
112.07624	3.1
112.12881	1.8
113.05987	8.8
114.05558	3.4
115.05462	5.2
116.06206	1.6
117.07024	12.6
119.04931	3.9
119.08571	6.0
120.08104	4.5
121.06494	21.5
123.04416	2.0
123.08082	3.0
128.06241	4.8
128.07077	7.4
129.07019	8.4
130.05011	13.9
130.07806	1.5
131.04930	3.1
131.08574	7.6
133.06491	12.0
133.10100	1.7
134.09653	1.8
135.04391	4.2
135.08032	3.0
136.07582	9.1
137.05962	3.9
138.05516	18.6
138.09079	3.5
140.07004	3.6
141.06972	3.7
142.05052	2.2
142.07774	2.5
143.08571	8.8
145.06508	10.2
145.09077	1.9
145.10121	10.6
146.04497	2.3
147.08043	7.4
148.06047	19.5
148.07405	3.8
149.05975	16.6
151.07576	6.3
153.07042	3.5
154.07683	2.8
154.08766	3.6
155.08513	7.4
156.06573	29.6
157.10114	4.3
158.07185	3.4
158.08298	2.6
159.08054	9.8
160.07617	1.8
161.05992	4.0
161.09602	4.1
162.09143	2.0
163.07567	5.7
164.07071	10.9
165.05406	2.4
166.08672	5.8
167.07095	15.5
169.10141	4.1
171.08043	7.3
173.05943	5.2
173.09648	22.3
174.07666	8.7
175.07513	5.4
175.11180	2.4
179.07056	5.5
180.06546	12.5
182.08130	8.0
183.08086	5.4
184.06064	7.2
184.09692	2.9
186.09183	2.3
187.11206	5.1
188.10809	4.1
189.09102	5.5
190.08612	6.0
191.07001	8.1
194.08156	5.5
197.08031	3.8
197.09627	8.8
199.07588	2.5
199.11101	2.4
200.09119	3.0
201.09090	14.2
202.07149	8.5
203.07214	1.9
203.10683	2.9
204.10211	2.9
205.08627	9.4
208.09749	3.0
210.07555	2.2
212.09151	5.5
215.10713	16.9
217.08553	2.6
219.10002	3.0
221.08246	2.0
223.09760	2.4
225.09097	5.1
228.08624	6.8
230.10167	3.7
231.10208	5.9
233.11708	6.9
243.10216	23.0
249.11348	3.4
250.10747	3.7
261.11218	66.2
265.13113	4.2
277.13120	8.1
278.13498	1.8
279.12244	17.7
295.14133	33.7
295.17194	2.9
296.11288	5.2
296.14697	2.3
314.12448	2.0
326.13916	3.2
344.14871	3.0
345.48828	1.7
362.15997	7.3
372.14313	3.6
380.16864	14.8
390.15463	7.1
396.16641	9.3
398.18158	10.3
408.16507	48.3
409.16571	2.7
426.17593	94.7
444.18625	2.1
480.22375	3.4
496.22379	3.8
508.22006	13.9
526.22870	75.9
527.22675	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	525.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.6
55.05511	11.6
57.03432	5.9
57.07085	9.8
63.48139	7.2
67.05506	50.5
69.07076	15.4
71.08620	9.6
79.05479	20.9
81.07069	41.8
83.08588	9.4
91.05498	18.8
93.07044	28.4
95.04980	8.1
95.08599	35.5
97.10179	12.2
98.08558	6.1
98.20765	22.7
103.05492	11.2
105.07048	8.8
106.05218	6.4
107.08631	15.0
109.10159	21.3
111.11750	8.3
119.08579	12.4
121.06502	50.6
133.10120	10.7
149.05978	100.0
153.05484	75.8
181.08618	94.1
183.46259	6.4
199.09660	23.8
205.67024	6.5
249.25888	8.3
273.25781	10.8
291.26825	25.0
420.31921	7.6
490.35953	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	526.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
53.84016	1.2
55.01874	3.2
55.05515	70.6
56.05034	3.5
57.03444	1.9
65.03943	1.7
67.05508	3.8
67.13552	1.3
69.03430	13.4
70.06606	2.4
70.21864	5.3
71.05013	1.7
73.79681	1.2
79.05499	3.7
80.05045	1.7
81.07066	2.9
82.06596	6.7
83.04986	100.0
83.08593	1.4
84.04510	44.1
84.08177	1.7
85.02911	12.0
86.06035	1.2
86.94837	1.2
91.05483	10.2
93.07037	4.0
94.06564	5.8
95.04946	6.5
96.04479	2.4
97.02891	1.6
97.06562	2.0
98.06068	1.9
98.79758	1.3
100.11253	1.8
102.05548	13.9
103.05472	3.0
105.07040	10.8
107.04962	3.7
107.08603	1.7
108.08127	2.3
109.06523	2.3
110.06065	4.1
111.04430	1.9
112.07600	1.5
113.06002	3.2
114.05545	2.2
115.05457	2.7
115.69904	1.2
117.07024	4.8
119.04964	1.5
119.08544	3.2
120.08119	3.3
121.06512	5.3
126.09014	1.4
128.06224	3.3
128.07092	3.7
129.07005	5.0
130.05005	15.8
131.03410	2.1
131.04933	2.7
131.08557	5.3
133.06499	6.8
133.10094	1.4
135.04456	1.5
135.08076	2.7
136.07570	3.3
137.05980	3.7
138.05521	7.1
140.07095	3.0
141.07008	3.8
142.07779	3.1
143.08595	4.2
144.08089	2.5
144.29991	1.4
145.06500	5.7
145.10129	4.5
147.08073	3.7
148.06058	29.3
148.07588	4.6
149.05975	4.1
151.07552	2.5
153.06868	1.8
154.07727	3.0
155.08600	3.9
156.06573	8.8
157.10130	3.8
158.07199	1.6
159.08075	6.6
159.11887	1.5
160.07594	1.7
161.06026	2.1
161.09708	2.5
163.07520	2.3
166.08688	2.9
167.07076	2.0
169.10144	6.1
170.09644	1.9
171.08044	4.2
172.08897	1.5
173.06032	2.5
173.09647	7.0
174.07596	3.1
175.07536	2.7
179.07124	2.5
180.06528	2.2
182.08199	1.8
182.15417	1.7
183.07942	2.7
184.06110	3.4
185.09700	3.2
186.09120	1.5
187.07527	1.6
187.11203	2.8
188.10645	2.1
189.09079	3.2
191.07080	3.7
191.10722	1.5
194.08145	2.5
197.09659	5.8
199.11203	4.2
200.09157	2.5
201.09067	9.5
202.07152	3.4
202.12338	2.0
205.08575	4.0
212.09088	3.1
213.09158	3.1
215.10777	9.3
217.08702	4.5
217.12312	1.5
219.10310	2.8
225.09018	3.2
228.08649	2.5
231.10129	2.0
233.11766	3.2
243.10159	18.0
248.12810	1.7
250.10605	1.6
256.09787	1.3
261.11243	24.6
262.11639	1.6
278.10654	1.7
278.13904	2.8
279.12280	4.9
295.14078	2.7
296.11261	2.9
296.14584	1.6
302.10141	1.5
320.11374	1.9
326.13818	1.5
332.14825	1.6
344.15070	2.3
361.16580	9.2
362.16003	7.5
362.68259	1.6
372.14294	3.4
378.15485	3.6
379.17435	1.8
380.17133	8.3
390.15445	9.0
408.16544	58.9
426.17621	19.8
480.22693	2.6
508.21774	11.3
526.22791	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	525.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.05514	10.6
56.96545	2.1
57.07082	3.6
57.21358	1.6
65.03951	2.4
67.05505	15.4
69.03430	9.9
69.07070	8.5
69.95990	9.8
71.04984	3.1
79.05498	14.6
81.03407	5.6
81.07053	21.9
83.04988	14.2
83.08621	5.2
85.02908	8.3
85.06555	4.9
87.00839	4.4
91.05494	10.7
93.07045	24.9
95.04970	3.9
95.08614	18.0
97.02900	4.8
97.06526	4.2
97.10165	2.0
98.97513	1.8
105.07040	21.8
107.04966	5.9
107.08603	21.4
109.02885	2.9
109.06530	4.3
109.10158	24.0
111.08095	5.4
113.09641	6.6
117.07050	3.4
119.08595	29.6
121.06503	4.5
121.10152	32.8
122.07330	3.7
123.11693	4.8
125.09632	4.4
127.03950	4.6
129.06995	2.0
131.08585	5.2
133.06464	2.2
133.10139	53.1
135.08028	3.1
135.11728	11.8
137.09627	30.8
139.11186	6.1
143.08568	2.3
145.10141	6.5
147.08043	7.0
147.11665	8.8
148.21576	1.7
149.09648	4.4
149.13271	3.8
151.07413	2.1
151.11189	14.9
157.10132	5.2
159.11707	5.5
161.09627	8.7
161.13272	7.4
163.11147	2.8
171.11824	2.7
173.13287	4.3
175.07559	1.6
175.11229	3.0
175.14833	26.8
185.13287	3.5
189.12862	3.0
191.14284	2.5
193.15887	2.3
199.14780	3.6
201.16382	5.7
203.14308	7.8
217.15829	4.1
217.19495	2.2
241.19411	3.9
259.20615	38.2
277.21640	100.0
335.48053	1.9
342.00186	1.9
364.58051	2.1
367.22748	2.4
456.99402	2.0
489.25009	3.5
510.99606	1.9
525.21820	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	6.1
55.01845	4.4
55.05485	8.6
57.03408	5.9
57.07048	3.3
67.05511	11.5
69.03436	21.4
69.07046	6.0
69.51979	14.8
71.04962	3.8
79.05460	6.6
81.03429	20.1
81.07056	13.8
83.04959	7.5
83.08591	2.4
85.02908	22.3
85.06543	47.0
87.00791	8.0
91.05453	8.8
93.07001	7.9
95.04961	4.3
95.08608	16.2
97.02882	10.5
97.03385	2.0
97.06484	4.9
99.04430	5.9
99.08096	56.1
105.01821	4.5
105.07025	23.1
107.08561	9.0
109.02887	20.5
109.06519	11.2
109.10175	10.4
117.07001	3.0
119.08587	19.9
121.10142	23.6
123.08009	6.0
125.09639	11.0
127.03916	18.8
129.01805	2.4
131.08595	3.0
133.10127	13.5
135.11671	3.0
137.09613	6.6
139.11183	5.5
143.08501	5.9
145.04878	6.0
145.10089	8.0
147.11710	26.4
151.11163	2.3
155.08525	2.6
157.10034	6.4
159.02834	7.3
159.11679	7.5
161.09599	3.7
161.13246	6.3
165.12782	15.8
170.10909	2.7
171.11641	7.2
173.13254	3.2
175.14781	4.7
177.12798	2.5
179.14281	7.7
185.13208	9.3
190.13515	2.3
199.14745	9.5
201.16357	9.3
203.14232	6.2
215.10789	2.2
217.15831	3.0
229.42636	2.1
231.05009	2.4
241.19437	6.1
259.20587	76.1
277.21552	6.8
349.16241	11.9
349.21518	2.3
351.40463	2.4
391.16760	3.0
416.56537	2.2
426.46075	2.2
443.11945	2.1
481.23984	7.6
507.16583	7.1
525.19116	100.0
525.26312	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	525.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.2
55.01863	2.0
55.05515	69.1
56.05037	2.7
57.03436	1.3
67.05502	2.3
68.05025	2.3
69.03442	10.1
69.36040	9.2
70.03033	1.4
79.05502	2.9
81.03426	2.8
81.07008	3.0
82.06578	5.9
83.04987	89.4
84.04510	61.0
85.02915	15.0
85.06543	3.3
86.06084	14.7
91.05491	9.9
93.07052	5.5
94.06567	3.2
95.04977	4.5
95.08618	3.4
96.04460	1.9
97.02868	2.1
97.06522	2.8
98.06063	2.2
101.07145	11.6
102.05544	8.1
103.05455	3.3
105.07039	9.2
107.04966	3.3
107.08601	5.0
108.08144	1.5
109.02906	1.6
109.06507	2.2
110.06056	4.5
111.04434	1.7
112.07621	2.7
113.06059	2.4
114.05543	2.5
115.05453	1.7
117.07040	6.7
119.08590	2.2
120.08089	4.0
121.06513	4.3
121.10168	2.2
123.08059	2.1
128.06207	3.9
129.06940	4.5
130.05014	100.0
131.04993	1.6
131.08556	4.1
133.06514	3.9
136.07594	2.4
137.05954	1.5
138.05528	5.1
138.13187	1.4
141.07014	2.4
142.07838	1.6
143.08562	5.7
145.06509	3.2
145.10126	3.4
147.07655	35.5
148.07545	3.1
149.06001	4.3
149.09552	1.7
150.09183	1.7
151.07503	1.6
153.06978	2.1
154.07706	2.2
155.08531	4.9
156.06577	16.0
158.09721	1.6
159.08047	4.6
159.11717	2.3
161.06049	1.7
161.09622	2.9
162.09213	2.3
163.07578	2.3
164.07089	2.9
166.08694	2.0
167.07056	2.4
169.10130	3.9
171.08063	4.2
173.05952	3.4
173.09584	5.5
179.08569	1.5
183.08029	2.3
184.06070	3.6
185.09657	3.1
187.11278	2.1
188.10738	1.7
189.09122	3.5
190.08673	2.0
191.07021	2.0
194.08049	1.7
197.09671	5.7
199.11169	2.6
201.09097	9.6
210.07564	2.6
213.09163	2.7
215.10704	8.9
217.08582	6.0
218.11519	1.6
225.09067	3.1
227.10452	2.0
231.10138	3.2
243.10182	16.8
260.12811	2.9
261.11237	20.0
278.10498	1.6
278.13901	6.1
279.12436	2.5
296.14935	4.0
314.16263	3.2
326.13870	2.7
344.14969	4.0
361.16586	11.8
362.15863	3.7
369.56854	1.5
372.14362	3.2
379.18283	6.1
389.17126	2.0
390.15506	10.0
395.18268	2.1
396.20227	2.5
407.18042	20.2
425.19193	23.2
479.24109	2.6
507.23621	9.4
525.24420	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	525.2312
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
55.05516	1.8
60.24131	1.0
61.78613	0.8
67.05515	1.3
69.07066	1.7
70.41260	1.9
71.05003	2.2
79.05499	2.0
81.07069	2.9
83.05005	1.6
85.02914	1.9
91.05511	1.3
93.07053	1.3
95.04976	0.9
95.08625	2.5
97.37288	0.9
105.07043	2.0
107.08622	2.4
119.08573	1.6
123.11723	0.9
131.08609	1.0
145.10153	1.1
149.09726	0.8
157.56749	1.0
193.08566	0.9
203.05405	1.7
245.06381	6.6
258.78278	1.0
259.16757	8.4
259.19305	0.9
259.20670	1.0
261.18314	2.2
271.04410	1.4
277.17825	3.4
287.03784	4.2
289.05322	56.5
352.21097	0.9
361.04581	1.0
373.05664	1.0
439.23254	2.0
481.24155	20.8
507.22580	2.6
525.23340	100.0
526.23450	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.9
55.01867	2.8
55.05519	70.2
55.05788	4.0
67.05520	3.8
68.05014	3.4
69.03436	31.2
69.25509	23.0
70.06616	3.8
72.08102	3.0
79.05497	8.7
82.06577	9.7
83.04988	100.0
84.04510	63.4
85.02905	9.0
86.06080	9.7
91.05492	15.8
93.07051	11.0
94.06586	3.6
95.04964	11.3
95.48704	2.5
98.06075	4.1
101.06003	3.3
101.07153	11.0
102.05542	4.7
102.85449	2.4
105.07069	14.1
107.04972	6.2
109.06507	3.0
110.06055	13.7
111.04465	6.4
112.07580	3.9
113.06024	10.6
114.05540	5.1
115.05476	2.7
117.07024	11.1
119.08627	4.0
120.08125	6.9
121.06522	26.9
128.06241	5.7
129.07043	3.7
130.05013	58.0
131.04958	4.4
131.08611	4.8
133.06479	3.6
134.06094	3.0
136.07639	7.0
138.05521	6.3
141.07008	3.0
143.08572	8.4
144.08090	2.8
145.06488	7.9
145.10150	7.4
147.07675	22.8
148.07616	4.6
149.05977	12.8
151.07567	4.3
155.08575	6.9
156.06567	22.9
157.37929	2.5
159.08086	7.4
161.06081	3.7
161.09621	5.7
163.07463	2.6
164.07112	10.5
166.08681	4.5
167.07080	12.9
169.10158	6.3
171.07947	6.0
172.08835	3.3
173.06055	5.2
173.09557	14.3
175.07530	2.9
179.07034	5.7
180.06575	15.5
182.08183	6.3
183.08046	4.8
184.06042	4.2
185.09688	3.0
187.11270	3.2
189.09204	6.0
190.08650	9.3
191.07182	5.1
194.08157	5.3
197.08112	4.2
197.09679	6.7
199.07368	3.0
199.11099	3.1
201.09103	11.2
204.10309	3.5
205.08635	7.3
208.09781	4.9
210.07602	3.3
213.09099	3.3
215.10703	10.6
223.09599	3.9
231.10188	3.7
233.11725	3.8
243.10181	19.6
247.06767	2.7
249.11084	3.9
250.10725	3.0
261.11230	36.3
265.13141	3.2
277.13110	6.3
278.10159	3.2
278.13904	7.3
279.12347	8.2
295.14169	34.5
296.11554	4.8
296.14923	13.9
314.16034	18.0
341.40262	2.7
344.15018	4.2
347.16998	2.5
360.14355	4.9
361.16467	26.5
372.14447	9.0
379.18420	4.0
389.17029	4.7
390.15530	11.2
395.17807	5.3
407.18036	20.7
408.16492	4.5
425.19220	65.5
426.17874	4.7
507.23434	11.0
525.24493	71.3
526.23651	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	525.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.5
65.03952	1.2
69.48100	2.2
69.48503	6.4
70.06622	1.6
79.05507	2.4
79.10404	1.2
81.07081	2.6
83.05008	4.5
91.05510	3.6
93.07064	1.6
95.04984	1.1
98.21527	2.5
105.07047	1.9
107.08621	2.4
108.34470	1.4
109.10229	1.4
119.08617	1.9
137.06004	1.6
149.06061	1.6
163.07599	1.4
203.05281	1.4
212.30261	1.3
245.06511	4.1
254.75024	1.2
259.16852	5.0
261.18326	3.7
271.57071	1.3
277.17947	5.2
287.03665	6.5
289.05304	33.5
289.08188	2.4
349.16309	1.8
357.79453	1.7
439.23270	5.2
481.24170	27.4
481.30527	2.2
507.22070	4.5
525.23358	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1244
Annotation	5,7,2',3',4'-Pentahydroxy-3,6-dimethoxyflavone 7-glucoside
Peak:m/z	Relative Intensity
54.59637	0.5
55.01870	0.6
55.05495	1.6
56.05030	1.4
57.03441	0.6
61.01141	0.7
61.02933	1.5
68.93247	0.4
69.03436	2.9
69.55074	3.8
70.06580	0.5
72.08157	3.2
73.02924	0.7
75.04586	0.5
81.03413	1.6
83.04987	1.6
84.08137	2.0
85.02438	0.8
85.02915	10.1
85.06508	0.7
86.97948	0.6
91.05499	0.8
97.02915	3.4
98.21492	1.1
104.05347	1.7
109.02888	1.1
120.08099	1.8
123.04496	0.7
127.03906	1.9
136.07578	2.0
137.02374	2.4
145.04900	1.4
161.06001	0.7
175.03992	1.1
182.08057	0.9
201.00266	0.5
203.03323	1.2
206.09966	0.7
231.02901	4.7
235.69089	0.5
249.04115	0.5
251.12137	0.8
259.02341	3.2
277.03305	1.1
287.01926	1.0
302.04245	0.9
305.02927	31.4
306.03275	0.8
330.03720	9.0
333.02426	29.4
334.02499	0.6
348.04739	14.0
361.16437	1.2
363.07129	100.0
364.07614	0.8
413.66318	0.6
453.34100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2104
Annotation	CHEBI:69823
Peak:m/z	Relative Intensity
54.27462	3.5
54.68348	4.1
55.05505	4.3
64.14908	3.4
69.34277	31.3
84.06974	3.6
98.97575	19.6
107.08603	3.4
107.18693	3.1
108.89274	3.4
112.99102	4.9
119.08528	3.5
237.02901	4.4
289.05264	14.5
303.01071	12.9
305.02594	11.2
439.19730	7.9
481.21796	14.8
507.19852	51.8
525.21027	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2104
Annotation	Antrodioxolanone
Peak:m/z	Relative Intensity
51.27266	1.8
55.05497	4.5
56.96559	2.6
67.05493	4.1
69.03411	2.5
69.07082	3.8
69.60191	13.5
76.37641	2.0
78.01123	1.9
79.05476	5.8
79.63760	1.9
81.07059	3.4
91.05421	2.8
93.07032	2.9
95.04958	3.0
95.08602	3.5
98.97588	16.3
107.04940	2.2
116.98592	4.7
121.02840	2.5
123.07990	2.2
125.09634	2.7
143.43954	2.2
158.99641	3.1
161.05991	2.3
175.07530	2.9
183.21574	2.3
217.16173	2.1
220.43289	2.2
225.07884	2.7
277.14090	7.6
305.02631	7.9
337.16977	2.7
425.22137	2.2
439.19992	8.9
481.22067	15.7
525.21021	100.0
526.21167	3.2
545.46680	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	524.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.6
55.05511	12.6
57.03442	9.6
57.07071	2.6
57.49773	1.4
59.04981	4.2
65.03928	3.6
67.05506	100.0
69.03414	1.7
69.07063	8.1
69.95159	6.1
71.04977	3.9
79.05492	22.3
81.07057	34.7
83.08619	7.2
85.06541	2.8
91.05484	12.0
93.07046	23.4
95.04957	1.6
95.08604	22.9
97.10162	1.9
105.07018	5.5
107.08616	12.3
109.10153	72.6
111.08055	2.8
117.07016	2.8
119.08606	9.1
119.09331	1.3
119.15421	1.5
121.10155	10.6
123.11710	3.5
125.09594	1.7
131.08578	5.2
133.10124	4.2
135.11671	7.2
137.09608	3.9
141.97675	1.6
143.79051	1.5
145.10138	5.2
147.11703	2.0
149.13260	4.5
155.10660	9.6
159.11664	3.6
161.13263	2.1
163.14862	1.7
171.28940	1.3
173.11729	17.5
173.13272	3.4
222.78618	1.2
227.12769	2.8
229.14346	61.3
243.21010	5.1
245.18925	1.4
261.22128	14.1
317.24564	4.1
333.97623	1.5
335.25815	53.7
489.35751	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	3.8
61.29556	0.8
71.95238	0.7
83.61858	0.9
88.18737	0.8
95.04405	0.8
98.97592	67.1
116.98637	29.7
134.99681	7.4
139.38562	0.7
151.60930	0.8
201.06989	0.7
216.98921	2.7
219.02034	1.2
235.00000	5.9
235.50310	1.0
240.98849	10.8
250.98042	0.8
256.96756	1.8
258.99866	81.2
260.00092	4.0
261.00406	1.3
261.03174	3.2
262.41931	0.8
263.02780	0.8
274.97882	5.9
277.00888	57.9
278.01187	2.5
279.01596	1.0
282.01285	1.3
283.00006	34.3
284.00244	3.0
284.99933	2.1
287.60663	0.8
298.97900	4.7
300.02322	1.3
300.97815	1.1
301.01056	26.5
302.01389	2.0
303.01044	1.2
314.95953	0.9
316.99042	7.2
317.98895	0.9
319.02393	1.0
324.02423	0.9
335.00281	2.0
340.99173	3.3
341.05676	0.9
359.00146	16.0
360.00012	1.0
364.99222	3.3
383.00009	34.1
384.00372	1.9
401.01129	100.0
402.01364	6.0
403.01071	1.7
417.98700	1.1
419.02664	5.8
424.02817	2.9
425.01526	2.2
440.98947	2.9
441.98911	1.2
443.02310	5.1
476.49591	0.9
483.00388	1.0
507.00171	7.4
525.01355	72.2
526.01373	6.9
542.98694	3.9
548.03027	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3715
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05518	0.6
55.15936	0.3
56.05041	1.6
57.03432	0.5
57.07077	2.6
58.06582	1.7
58.75276	0.3
59.07372	0.4
59.81152	0.3
59.95255	0.3
60.08165	17.8
67.05494	0.8
69.07079	0.4
71.07375	7.5
71.08640	1.7
76.31872	0.3
81.07053	1.0
83.08627	0.4
85.10175	0.8
86.09709	53.5
95.08607	1.0
98.98463	4.5
104.10748	100.0
105.11127	0.4
125.00008	30.8
143.01009	0.3
163.01593	0.3
181.02689	0.3
183.77144	0.3
184.07346	96.2
185.07727	0.6
196.96423	0.3
215.53632	0.3
220.51704	0.2
258.11005	1.4
285.23013	0.3
341.30600	1.5
506.36057	8.0
506.43140	0.6
524.37152	27.8
525.37598	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3718
Annotation	PAF C-16
Peak:m/z	Relative Intensity
55.05507	0.2
56.05039	0.4
57.03445	0.2
57.07075	0.6
58.06629	0.5
58.93072	0.2
60.08169	6.6
67.05505	0.5
69.07076	0.3
69.86387	0.2
71.07380	3.5
71.08005	0.2
71.08630	0.3
79.05504	0.2
81.07076	0.2
83.04972	0.2
83.08570	0.2
86.09714	30.5
87.10056	0.2
88.35046	0.2
95.08642	0.3
97.10217	0.2
98.98476	3.2
104.10751	3.4
105.07026	0.2
109.10146	0.3
125.00014	22.6
148.77243	0.2
157.27957	0.2
181.40424	0.2
184.07355	100.0
185.07683	0.4
258.11142	0.3
276.18939	0.2
341.30359	0.2
345.02112	0.2
506.36047	1.1
524.37299	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40247	2.7
55.05507	5.5
56.05039	16.3
57.03423	4.1
67.05500	6.5
68.05021	5.1
69.03426	5.9
69.07040	3.8
70.73153	8.0
71.04991	15.6
74.06079	9.0
74.77605	2.8
79.05499	3.2
81.07046	6.4
82.07363	3.1
83.04965	3.4
83.08654	3.1
91.05506	3.1
95.08607	5.3
97.10144	4.6
98.06055	35.3
102.05568	4.0
105.06986	2.7
107.08576	5.6
107.94400	3.2
109.06528	3.7
109.10155	5.3
119.08587	3.1
121.06511	2.7
125.09635	4.6
127.11192	19.2
143.08548	3.4
144.06569	44.5
145.10141	3.7
159.08025	4.0
172.06049	9.8
173.09596	4.7
175.07553	11.2
177.09100	4.0
185.09584	4.0
187.07562	6.8
187.11176	7.7
188.08430	2.9
189.09167	14.9
201.09081	6.9
203.10681	12.8
215.10686	29.7
219.10127	4.6
227.10663	12.8
229.12238	12.3
231.10062	3.3
240.11417	3.3
241.12245	8.6
245.11673	3.6
273.18506	3.0
283.16953	18.9
301.18042	17.1
313.80283	2.6
315.19559	17.4
344.14713	3.9
362.16129	3.7
398.22961	3.2
426.22559	15.1
444.23877	100.0
462.24893	70.6
524.21216	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	524.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01880	3.1
55.05519	12.7
67.05501	4.5
69.03435	6.2
69.07064	11.1
70.84344	5.9
70.84678	3.4
71.04988	7.0
79.05491	14.7
81.07060	22.2
83.04993	13.9
84.04498	6.4
84.07420	2.7
85.02898	8.4
85.06551	100.0
91.05489	11.4
93.07046	40.1
95.08646	5.7
96.08106	3.3
97.02914	3.1
97.06541	46.5
99.04389	2.8
99.08031	2.6
105.07028	12.3
107.08595	27.3
108.08161	3.7
109.10164	5.0
110.09676	7.8
117.06999	4.0
119.08580	13.8
120.08109	4.1
121.10155	62.7
125.09683	3.5
130.05014	6.9
131.08598	5.5
138.09175	6.7
145.05002	3.2
145.10182	3.0
147.11702	8.5
149.09657	3.2
149.13268	39.6
159.11665	17.6
165.12753	7.8
166.08624	12.5
167.14310	8.9
177.12767	51.5
195.13826	51.6
200.73528	2.6
201.07607	10.6
213.14862	19.2
237.10379	3.7
252.94855	2.8
253.09930	3.6
265.09738	5.0
266.01215	3.4
283.10727	5.6
295.10748	5.0
301.44464	2.6
309.16995	30.7
311.10117	4.4
321.08719	4.3
327.18069	39.8
332.05325	2.7
339.09872	6.1
359.12259	4.7
371.12296	5.1
464.18176	5.0
492.17789	5.8
524.20459	3.7
525.24030	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	523.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.3
53.36275	5.4
55.05499	26.5
57.03431	20.5
57.07082	62.6
60.08154	20.5
67.05505	56.7
69.07055	19.0
70.45486	15.9
70.79274	5.2
71.07369	10.7
71.08642	28.2
77.94460	5.9
79.05499	21.0
81.03423	100.0
81.07054	47.7
83.04983	11.8
83.08630	31.0
85.10181	14.2
86.09712	58.2
91.05493	22.4
92.03759	6.8
93.07044	29.5
95.04961	37.2
95.08620	52.0
97.10162	11.9
98.98462	6.9
104.10750	89.6
105.07025	26.6
107.04955	7.5
107.08579	17.9
109.10133	25.4
111.08087	6.9
117.07039	8.4
119.08568	21.3
121.10136	15.4
123.11710	7.9
125.00002	31.7
129.07014	6.1
131.08592	12.2
132.29950	5.1
133.10143	12.3
135.71974	5.9
145.10132	10.0
147.11717	10.7
157.10138	10.6
173.11769	7.1
175.11188	12.3
179.14320	10.2
184.05815	7.5
184.07353	88.5
193.12271	70.2
193.64880	6.5
211.13350	17.8
229.14308	6.1
267.15839	62.1
277.21634	11.0
293.39908	6.2
313.27353	81.4
426.38623	7.7
469.93991	6.0
505.39349	47.3
523.40125	36.0
524.37048	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	524.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.0
55.05516	27.5
56.05034	2.0
60.04525	1.3
67.05480	2.6
68.05030	24.9
69.03422	2.9
70.97103	1.2
71.05002	2.1
71.51372	2.1
72.08132	1.9
79.05495	4.3
79.25745	1.2
81.07065	3.7
82.06594	1.5
83.04989	27.5
84.04507	35.9
84.08148	2.1
85.02902	11.3
85.06539	4.5
87.04468	1.7
90.34158	1.3
91.05500	8.2
93.07033	5.2
94.06570	1.5
95.04970	19.7
96.04486	4.7
96.84091	1.3
97.02912	1.5
97.06545	2.7
98.06035	1.7
99.04449	2.9
102.05526	3.4
103.05471	1.4
105.07034	4.8
106.06576	2.4
107.04960	2.0
107.08565	1.8
107.21588	1.4
108.08144	1.5
109.06525	2.1
110.06075	1.7
114.05534	42.7
115.05418	2.5
117.06985	4.1
118.06552	1.8
119.04974	1.7
119.08588	2.7
120.08117	2.9
121.02911	1.8
121.06507	5.0
121.10133	6.4
123.04424	2.0
125.06015	3.6
128.06233	4.5
129.07008	4.1
130.04979	4.8
130.06525	2.6
131.04910	1.8
131.08545	3.4
132.08109	3.9
133.06537	1.6
136.07558	1.4
137.05980	2.1
138.05495	1.3
139.11194	2.6
140.07043	2.2
141.06995	2.3
142.04980	11.7
142.07802	2.9
143.08548	5.2
144.08084	2.1
145.06479	3.5
146.09723	1.9
147.08008	2.1
149.05989	4.9
149.13254	3.6
152.07158	2.3
153.07021	4.1
154.07747	3.3
155.08572	3.9
156.06567	2.5
156.08060	1.9
157.08902	1.4
157.10098	1.7
159.08035	4.5
160.06082	12.7
160.07413	2.4
164.07120	1.8
167.08569	3.8
168.08090	2.2
169.10156	4.3
170.09677	3.8
171.07996	6.3
172.07486	2.0
173.09604	4.1
174.07692	2.3
176.07153	2.3
177.12831	2.2
178.08769	1.7
179.07082	1.5
182.09712	3.1
183.08011	2.5
184.11267	3.0
185.09705	7.2
186.09134	2.9
187.07503	4.6
190.08698	2.4
195.08101	3.3
195.13792	2.6
197.09662	5.6
198.09145	4.4
199.07507	2.9
200.10698	1.6
201.07446	2.4
201.09154	2.3
210.07599	1.5
211.07495	2.0
212.10771	8.2
213.09161	6.8
213.11037	1.6
213.14958	1.4
214.08687	1.4
215.10722	4.7
223.07578	1.4
229.08563	5.2
229.10767	2.0
230.11836	2.2
231.10258	2.1
232.09619	3.2
236.09209	4.9
238.10773	1.6
241.08575	12.5
241.14407	1.7
244.09787	2.1
245.10513	1.6
247.09599	3.1
257.10452	3.7
258.11160	2.0
259.09564	7.0
270.11127	1.8
274.10745	2.1
276.12326	3.2
296.12976	1.6
298.14465	1.7
300.12360	2.1
309.16971	4.3
327.18051	3.8
342.13303	7.4
344.15051	19.5
360.14334	6.7
361.16449	4.2
362.12375	1.8
370.12888	4.3
376.13745	3.1
378.15305	2.6
382.76108	1.4
388.14038	14.1
406.14984	100.0
407.15005	2.1
424.15887	3.9
488.19217	5.7
506.20062	9.3
524.21088	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	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01096	1.4
53.03941	4.2
53.85181	1.8
55.01873	2.4
55.05511	14.4
57.03427	7.0
57.07077	45.6
65.55429	1.5
67.05510	34.5
69.03418	3.0
69.07075	13.7
71.04979	5.1
71.08635	33.3
79.05492	22.6
81.03422	45.2
81.07058	37.6
81.33856	1.4
83.04984	9.1
83.08156	1.9
83.08623	29.5
83.81563	1.4
84.60773	1.7
85.02900	18.9
85.10181	18.2
86.09727	2.9
88.81936	1.5
91.05479	21.2
91.17326	1.4
93.07043	15.5
94.43637	1.7
95.04968	20.9
95.08612	36.2
97.06527	3.0
97.10167	9.3
105.07026	16.8
107.04950	3.2
107.08600	6.6
109.06552	3.6
109.10159	16.4
110.66310	1.6
111.08086	7.7
111.11720	2.2
119.08575	17.8
121.10098	9.0
123.07999	3.1
123.11738	7.4
125.00028	3.2
129.07033	8.8
131.08611	8.9
133.10158	7.1
145.10081	2.4
147.08073	3.2
147.11697	12.2
149.09627	6.8
157.10132	10.9
165.16399	2.0
175.11203	12.5
184.07314	11.0
193.12245	48.3
193.13881	3.3
211.13293	46.7
239.23706	8.1
267.15921	13.3
302.00638	1.6
305.00641	1.9
313.27393	18.7
505.38736	6.1
523.23798	3.2
523.39984	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21760	2.3
53.03938	6.4
55.01860	7.5
55.05515	79.9
57.03445	14.6
57.07069	7.7
60.08152	3.4
65.03928	5.0
65.53162	2.0
67.05510	84.6
69.03428	7.8
69.06728	2.6
69.07072	23.6
71.04991	4.1
76.15916	2.1
76.64304	2.2
79.05495	61.9
81.03431	3.6
81.07063	92.3
83.04972	5.7
83.08153	3.5
83.08625	52.1
85.06536	3.6
86.09682	6.8
87.04431	2.3
91.05485	34.0
93.07044	59.3
95.04951	4.7
95.08616	54.1
96.27322	2.0
97.06533	3.2
97.10178	100.0
98.20753	7.4
99.08154	3.6
101.09638	2.7
104.10736	11.7
105.07046	18.0
105.11053	2.2
106.52510	2.3
107.08601	58.7
109.06519	3.4
109.10176	36.4
117.07015	12.5
119.08587	14.3
121.10148	29.9
123.08112	3.5
123.11691	11.3
123.13923	1.9
124.99966	4.6
125.09642	73.8
131.08565	17.0
131.12398	2.0
133.10150	12.2
135.08051	9.4
135.11696	15.9
136.93103	3.2
137.13271	5.1
143.08615	2.0
143.10709	3.7
145.10107	8.8
147.11705	10.9
149.09630	2.3
149.13278	13.8
153.09103	5.1
154.94223	2.7
157.10153	3.6
159.11665	10.8
161.13287	6.6
163.14809	7.2
171.10182	9.2
171.11572	3.4
172.95195	4.1
173.13281	7.9
175.14847	4.6
176.77463	2.1
177.16409	3.4
184.07387	13.4
185.07697	2.9
187.14766	5.8
189.11234	70.9
201.16467	3.7
210.97566	2.7
227.12775	79.9
243.21046	15.1
245.13863	93.0
261.22162	62.1
267.15814	3.7
279.23160	6.1
317.24875	14.5
335.08746	2.4
335.25827	63.1
413.30338	4.5
431.31458	7.0
467.20776	2.9
487.34760	10.3
505.35083	26.3
523.22974	6.0
523.35333	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	523.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30638	2.2
53.00469	3.1
53.03938	3.6
55.01869	7.9
55.05514	89.7
57.03444	16.3
57.07072	6.6
65.03953	5.1
67.05509	82.4
69.03419	10.2
69.07079	24.5
70.00454	8.9
76.58528	2.8
79.05496	75.4
81.03445	2.6
81.06588	5.8
81.07059	91.7
83.04986	8.1
83.08627	52.1
83.74842	2.6
85.06530	2.8
86.09721	7.3
91.05475	29.2
93.07053	58.3
95.04935	3.6
95.08611	67.3
97.06548	5.5
97.10175	100.0
98.21426	4.1
101.09663	3.2
104.10768	12.8
105.07027	18.7
107.08601	62.9
108.86939	2.7
109.10171	31.2
111.08104	7.5
117.07019	11.2
119.08570	14.8
121.10150	26.0
123.11703	15.1
125.00042	5.5
125.09633	81.3
131.08585	21.4
133.10149	16.9
133.80270	2.5
135.08078	7.6
135.11682	21.7
136.93117	4.2
137.13264	5.8
143.10667	5.6
145.10123	16.0
147.11681	9.4
149.13272	16.6
153.09079	3.6
157.10197	3.3
159.11754	13.8
161.13274	5.9
163.14833	6.7
171.10167	11.6
171.32097	2.6
173.13255	12.5
175.14856	5.2
184.07358	11.9
187.14828	7.5
189.09718	2.6
189.11224	73.9
189.12915	3.6
199.11092	2.8
201.16341	3.3
227.12790	71.6
233.22545	3.2
243.21039	13.7
245.13878	93.3
261.22141	68.4
261.24884	4.4
279.23184	6.6
308.34671	2.7
315.10086	3.9
317.24728	11.5
335.25818	59.2
413.30600	4.1
431.31436	8.5
454.35065	2.8
487.34225	12.2
505.35129	27.7
523.23199	7.6
523.36133	14.8
532.93738	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.3
56.05038	0.6
57.03427	0.2
57.07057	0.2
57.92772	0.1
58.06629	0.4
58.90993	0.1
59.07413	0.2
60.08169	6.7
65.47110	0.1
67.05508	0.3
69.07066	0.5
69.38008	1.2
71.07378	3.2
76.89631	0.1
79.05511	0.2
81.07047	0.2
83.08639	0.2
86.09712	28.8
93.07045	0.2
95.08611	0.3
98.98466	3.6
104.10750	3.1
105.12603	0.1
107.08576	0.1
125.00014	21.3
135.11617	0.1
136.71613	0.1
184.07352	100.0
185.07678	0.6
193.11316	0.1
339.28983	0.1
345.00186	0.1
418.62439	0.1
481.56998	0.1
504.34488	1.2
522.35681	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3556
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05512	2.1
56.05028	1.2
57.03435	0.3
57.07079	0.6
58.06609	1.6
60.08164	17.2
67.05488	1.0
69.07072	2.0
69.23691	0.9
69.24097	2.2
71.07373	6.8
81.07040	1.1
83.08618	1.3
86.09707	50.8
93.07023	0.8
95.08586	1.2
98.98464	4.9
104.10744	100.0
105.11102	0.6
109.10130	0.5
121.10117	0.8
125.00007	26.3
139.28372	0.4
163.01556	0.9
184.07343	99.2
185.07709	0.7
227.80746	0.3
237.53027	0.4
257.42242	0.4
258.11050	1.3
339.28949	1.4
345.59241	0.3
445.26746	0.9
504.34546	9.5
522.35565	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	523.1455
Annotation	Centaurein
Peak:m/z	Relative Intensity
55.05488	0.5
69.06988	0.3
71.49776	0.3
81.07023	0.7
83.04945	0.8
85.02885	0.7
86.09673	0.4
89.34747	0.3
91.05459	0.4
93.07028	0.5
95.08585	0.5
99.00795	0.4
105.24684	0.3
107.04906	0.4
107.08527	0.3
109.02881	0.4
109.10141	0.4
116.35807	0.3
119.04967	0.4
137.05951	0.8
148.05150	1.0
149.06004	4.2
151.03876	2.2
153.01817	0.6
154.02002	0.4
154.99796	2.0
161.05969	0.4
172.72311	0.3
175.07600	0.4
180.00600	0.6
182.88657	0.3
182.99268	5.0
184.05077	0.4
191.07123	0.4
198.01570	0.7
201.00291	2.3
213.03868	0.9
229.04921	0.5
243.06459	0.6
244.07314	1.7
257.04462	0.4
272.06665	0.4
294.45172	0.3
300.06329	1.3
303.05032	3.9
313.03448	1.1
316.02237	3.0
328.05795	13.1
331.04507	50.0
332.04910	1.2
345.73868	0.3
346.06866	14.0
361.09207	100.0
362.09561	2.8
505.25693	0.3
511.04855	0.3
523.21851	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	16.6
55.93576	1.5
57.03441	7.3
57.07076	2.8
60.04530	25.0
65.03947	3.3
66.04138	1.3
67.05508	45.9
69.07074	22.6
70.02100	5.3
70.02491	2.7
70.02956	6.9
79.05501	13.8
81.07063	46.7
82.19822	1.5
83.08627	10.0
88.03998	85.9
91.05491	8.0
93.07046	14.2
95.08618	35.4
97.06522	4.2
97.10178	5.6
98.98478	54.2
104.10715	2.6
105.07044	7.4
106.05035	39.6
107.08591	9.3
108.64419	1.3
109.10172	16.5
114.43591	1.6
119.08557	4.8
121.06245	1.6
121.10134	5.2
123.11704	5.8
131.08620	1.9
133.10138	5.6
135.11700	4.1
137.13266	3.5
147.11682	2.2
149.13226	2.7
151.14835	2.5
154.88792	1.6
155.01050	27.5
161.13329	1.6
163.14853	2.6
173.02104	10.5
175.14845	2.0
242.04282	2.3
245.22638	8.8
260.05283	2.9
263.23758	18.9
319.26511	1.8
337.27390	100.0
338.27695	2.8
350.26917	11.3
417.23965	2.1
480.48975	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	9.3
57.07066	2.9
62.69264	1.6
66.65399	1.6
67.05506	28.8
68.15054	1.6
69.07063	12.9
71.04980	6.6
77.66689	1.8
79.05489	12.6
81.07059	24.4
83.08623	6.4
85.06536	3.2
85.10200	2.0
91.05486	9.9
93.07053	23.2
95.08610	84.5
97.06519	1.9
99.08086	3.7
105.07037	25.9
107.08601	43.2
109.10160	60.0
119.08585	31.8
119.20258	1.7
121.10147	53.8
123.11707	9.4
133.10126	24.4
135.11696	10.3
137.13266	5.0
145.10107	2.8
147.11690	43.5
151.14819	5.5
161.13252	24.1
163.14818	41.9
165.12784	3.4
175.14841	8.1
177.16364	3.5
203.17970	100.0
215.21437	1.7
221.18983	24.1
239.19933	2.2
314.82248	1.8
349.15570	1.8
391.91196	1.8
453.63522	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
53.03934	1.2
53.92524	0.6
55.01860	2.7
57.03426	1.9
61.02925	3.4
65.26109	0.7
69.03423	5.6
70.16922	2.4
71.04986	1.1
73.02905	1.3
73.22836	0.5
79.05478	1.4
81.03417	2.5
84.04506	0.8
85.02912	33.8
87.04498	0.9
91.03989	1.5
91.05485	4.0
93.07043	2.7
93.55439	0.6
95.04942	0.9
97.02895	10.1
98.20695	0.7
99.04463	1.5
103.05471	5.7
105.07015	0.9
107.04955	3.2
109.02907	3.1
110.03680	0.7
110.07129	0.6
119.04963	1.0
120.08118	0.6
121.06509	19.6
125.02372	3.2
127.03939	7.7
131.04945	1.7
135.08057	1.9
137.05989	1.7
140.04694	29.4
145.04968	15.8
149.05994	17.7
151.07552	1.3
153.05486	12.1
153.06662	0.5
163.06030	4.9
163.07539	2.7
181.08606	100.0
182.08940	1.3
189.03954	0.7
483.26624	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61173	1.7
53.03951	2.0
55.01869	1.7
57.03439	3.8
61.48385	1.6
69.03425	6.0
70.06574	3.0
71.04998	1.9
71.49316	1.4
71.49741	2.3
75.04484	2.3
79.05513	3.8
81.03413	6.6
84.08156	1.9
85.02910	13.6
87.00828	7.4
91.05461	3.6
94.43605	1.5
97.02890	5.4
99.04457	2.7
103.05478	26.1
104.05801	11.6
104.95852	1.6
105.01885	3.0
105.07047	25.1
109.02911	4.6
120.08138	1.8
122.03654	2.5
127.03921	4.9
131.04948	43.0
132.05280	21.7
133.06502	50.4
136.06227	1.8
137.05989	100.0
138.06349	3.0
145.04999	3.1
147.04475	2.1
149.81754	2.0
151.07567	3.3
159.02936	2.4
161.06001	5.9
162.06340	2.8
163.07590	14.4
164.07909	5.4
165.09129	33.9
175.07503	3.2
177.09190	2.0
181.08591	2.0
183.10176	26.9
207.10262	1.7
221.11748	5.9
231.04945	2.3
239.12820	2.6
257.13870	74.1
347.14951	2.7
360.15088	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	521.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.1
55.01848	2.1
55.05509	11.7
57.03421	1.6
57.07078	21.9
65.03922	1.5
67.05508	20.4
69.03404	1.2
69.06731	0.7
69.07067	8.8
71.04967	1.9
71.08635	16.2
71.33163	0.5
73.02904	1.0
77.03915	0.8
79.05496	21.4
81.03397	1.4
81.07058	23.6
83.04982	3.0
83.08158	0.8
83.08621	12.5
85.06519	0.9
85.10188	8.5
88.48141	0.5
91.05479	7.5
93.07047	31.3
95.04971	4.6
95.08608	41.2
97.02900	2.9
97.06523	2.8
97.10165	4.3
98.21519	1.5
99.04466	3.1
103.05448	0.9
104.10731	0.5
105.04498	0.7
105.07040	6.9
107.04974	5.6
107.08596	19.7
109.06484	1.5
109.10166	9.4
111.04469	1.3
111.08060	0.7
111.11716	1.3
113.05984	0.9
117.07027	7.8
119.08581	7.4
121.06487	4.2
121.10152	9.5
123.11708	2.8
125.05950	2.4
125.13246	0.5
130.07799	2.4
131.08575	0.6
133.06583	0.5
133.10120	1.9
135.08037	1.5
135.11696	36.7
137.13208	1.3
139.07533	1.7
143.08589	0.7
144.33434	0.4
145.10123	20.9
152.77444	0.5
153.12807	0.5
161.06087	0.5
163.11188	49.2
173.09605	0.7
181.12241	11.9
209.11681	2.4
227.12788	100.0
228.13179	1.1
239.23761	2.8
245.29359	0.5
268.61816	0.6
408.75439	0.5
444.18488	0.5
459.38135	0.8
503.41058	0.8
521.38397	57.2
522.38721	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	521.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.7
53.86869	0.9
55.01868	2.8
55.05516	13.7
57.03447	1.6
57.07081	24.9
65.03942	2.2
67.05511	26.3
67.05878	1.3
69.03427	1.5
69.06723	1.4
69.07075	14.8
69.07429	1.6
71.04990	3.0
71.08637	17.4
71.24942	1.7
73.02900	0.9
79.05502	23.3
79.43725	0.8
81.03429	3.7
81.07065	33.1
82.49436	0.8
83.04984	3.3
83.08626	14.8
85.02927	1.4
85.06548	2.9
85.10183	9.8
91.05484	12.1
93.07049	34.1
93.07642	1.8
93.72726	0.7
95.04975	5.9
95.08617	44.1
96.08915	0.9
97.02908	3.7
97.06548	4.2
97.10178	5.8
99.04499	2.7
103.05496	1.4
105.07032	10.0
107.04974	8.1
107.07877	1.4
107.08601	23.5
109.06538	1.9
109.10160	10.7
111.04488	1.5
111.08150	1.0
111.11719	1.6
115.05483	0.9
117.07003	8.4
117.07599	0.8
119.08587	11.6
121.06526	5.7
121.10146	12.5
123.08067	1.4
123.11687	4.7
125.06017	2.9
129.07008	1.9
130.07776	1.5
131.08598	2.8
133.06445	1.1
133.10136	6.2
135.08131	2.0
135.11700	36.0
137.06000	1.2
137.13264	2.3
139.07579	1.1
143.08540	2.1
145.06560	1.2
145.10129	24.7
147.08037	1.2
147.11717	2.0
149.09641	1.6
151.07594	0.9
151.11259	1.1
153.12746	0.9
159.11714	1.9
163.11192	53.1
165.09158	1.5
171.11745	0.8
173.09589	2.0
177.09265	1.2
181.12233	11.6
183.11771	1.3
185.13307	0.8
191.07069	1.2
191.10678	2.5
193.12189	1.8
201.12581	0.8
207.13867	0.7
209.08206	2.0
209.11678	5.3
211.13309	0.9
222.15742	0.9
227.12794	100.0
228.13187	1.0
235.16827	1.0
239.23785	2.8
248.17250	0.9
261.22180	1.2
277.09158	1.1
300.20560	1.1
313.21503	1.1
314.22147	1.1
334.47351	0.9
340.23532	1.0
341.24329	1.6
426.27402	2.4
427.28482	1.2
428.29184	1.4
440.29361	1.8
441.29495	6.4
521.25220	3.1
521.38434	75.5
522.38922	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.9
53.03948	0.9
53.64176	0.4
55.01873	0.6
69.22045	1.3
69.22444	2.6
72.18410	0.5
78.04705	0.4
85.02921	1.0
91.05499	0.6
94.15446	0.5
95.04957	0.9
98.20789	0.9
102.04675	1.0
103.05474	56.0
104.05812	0.6
105.07028	3.4
107.04955	0.7
115.05474	1.0
119.04964	1.0
126.02019	0.4
126.75182	0.4
131.04939	100.0
132.05287	1.1
133.06514	2.8
137.06000	3.9
147.04428	0.9
151.03951	0.6
161.06009	8.4
163.07555	26.2
175.07588	1.1
179.06981	1.2
187.07472	0.8
189.97475	0.5
249.88943	0.5
285.23517	0.5
291.10297	0.7
311.12830	0.7
365.65887	0.5
384.61325	0.4
434.75076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
54.63481	0.6
55.01870	0.9
70.06575	0.6
71.22973	1.3
77.03925	0.8
81.03402	0.5
91.05505	0.7
95.04951	0.9
95.35198	0.5
97.02859	0.6
103.05476	56.4
103.47009	0.6
105.04522	0.6
105.07047	4.1
107.04951	0.8
115.05494	0.8
119.04939	1.8
128.35751	0.7
131.04938	100.0
132.05319	1.6
133.06499	2.8
137.06009	5.1
147.04417	1.7
148.57018	0.6
151.03926	1.5
161.05989	9.0
163.07558	24.2
172.31406	0.5
175.07617	1.1
179.07057	2.0
187.07587	1.1
214.86293	0.6
231.25136	0.7
359.15045	2.1
543.48212	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.223
Annotation	Suspensolide E
Peak:m/z	Relative Intensity
53.03965	3.5
53.73863	2.9
54.15019	2.6
54.87646	2.7
55.01889	6.2
55.05516	8.1
56.05016	2.7
57.03435	9.3
61.02921	2.5
61.94177	2.8
62.44590	2.7
67.05501	12.0
69.03442	4.6
69.07058	6.1
69.36302	10.5
69.36730	12.0
71.05008	4.1
76.76496	2.8
79.05488	22.4
81.07059	34.7
83.04971	8.5
85.02921	9.1
85.06564	5.2
90.47942	2.9
91.05489	17.2
93.07052	39.7
95.01337	5.4
95.04996	10.8
95.08620	15.5
97.06537	11.3
99.04482	7.7
103.03972	3.0
103.05457	3.3
105.07040	32.7
107.05030	3.0
107.08605	27.8
109.06499	18.0
109.10167	10.9
111.08070	3.2
117.05502	6.4
119.08598	22.5
121.06516	23.1
121.10187	6.1
123.08063	9.2
123.11727	5.9
125.05976	6.3
127.07569	6.0
129.05504	10.8
131.04904	4.2
131.08589	4.6
133.06554	4.0
133.10172	13.4
135.08047	8.3
137.06035	12.7
139.07544	12.4
143.07040	5.2
143.08563	3.9
145.10129	8.2
147.11694	55.7
149.13287	6.2
151.07495	3.1
157.08601	4.8
157.10126	7.7
161.05946	3.1
161.13272	7.6
165.12758	36.0
171.11681	10.2
175.11166	14.4
183.13846	5.5
189.12767	16.6
191.14346	3.3
193.12241	26.2
199.11263	4.3
207.13846	5.8
209.15405	7.5
211.13258	6.3
217.12271	24.0
229.14384	9.0
235.13260	25.4
253.14362	29.3
265.17639	3.2
283.19122	6.5
309.11212	3.2
309.17001	13.2
327.18051	100.0
328.18066	3.7
374.18161	5.8
503.21030	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	521.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
56.13263	1.3
67.01852	1.2
67.05495	2.0
68.99773	1.2
69.03421	3.9
71.16348	2.5
73.02896	1.7
81.03429	2.4
81.07049	2.1
83.04978	3.1
85.02897	5.0
85.06535	1.7
86.09708	3.4
86.42326	1.1
87.00825	2.2
87.88785	1.3
91.05475	3.7
93.07056	2.1
93.09184	1.1
95.04954	1.3
95.08598	2.2
97.02907	1.6
103.86835	1.2
105.07049	3.3
107.04989	1.5
109.10144	2.3
119.04964	2.8
119.08574	1.4
120.08154	1.5
123.04388	1.4
127.03941	2.3
129.06972	1.2
131.04965	1.3
133.10123	1.6
137.05977	10.7
138.06354	1.4
145.10150	1.4
147.04417	9.6
153.01842	47.4
159.02888	1.7
167.14371	3.2
168.14700	1.9
171.02863	6.8
171.11636	1.8
195.24646	1.1
196.66335	1.4
199.11147	2.2
219.17670	1.6
220.17809	1.8
227.05525	2.5
271.04019	7.5
272.13834	1.4
273.07623	41.1
273.14590	28.5
274.07999	1.5
305.60159	1.2
435.20093	5.6
477.21027	42.4
503.19339	3.4
521.20001	100.0
522.20837	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	521.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
53.03947	0.8
58.89289	0.5
69.03416	1.4
70.38046	1.2
70.38412	1.0
78.35551	0.5
85.02920	3.1
89.89905	0.5
91.05492	2.9
95.04987	1.0
97.02880	1.2
98.20865	0.7
103.05471	49.4
105.07079	1.1
119.04971	4.2
120.93066	0.6
131.04933	100.0
133.06493	1.0
135.04456	0.7
137.05981	5.8
147.04417	6.0
151.07515	0.7
161.05969	2.0
163.07549	34.7
166.52428	0.6
179.07069	3.3
187.07552	0.7
187.96007	0.5
249.75697	0.6
251.07397	0.5
253.88223	0.6
332.94528	0.6
343.39636	0.7
376.64212	0.6
418.15012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.4
56.05042	0.5
57.03441	0.2
58.06637	0.5
59.07400	0.1
60.08168	6.2
67.05512	0.5
69.07066	0.3
70.63927	0.2
71.07377	3.4
79.05526	0.1
80.97470	0.1
81.07059	0.5
83.08640	0.1
86.09711	30.9
87.10067	0.2
93.07029	0.2
95.08620	0.3
98.98468	3.4
104.10744	3.1
107.76836	0.1
109.10147	0.1
111.38486	0.1
125.00012	22.6
126.00407	0.1
143.01054	0.2
166.06381	0.1
180.91579	0.1
184.07352	100.0
185.07703	0.3
207.12379	0.1
258.10974	0.3
304.09308	0.1
337.27286	0.2
338.25500	0.1
343.04651	0.1
469.77982	0.1
502.32956	1.1
520.34045	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47809	1.0
53.03947	1.8
55.05503	4.3
57.07074	8.9
59.04993	2.4
65.60500	1.1
67.05508	4.7
69.03429	5.3
69.07081	4.8
71.04987	1.3
71.51859	1.7
78.17477	1.0
79.05495	7.0
81.03374	1.1
81.07063	9.4
83.04985	5.7
83.08607	2.0
85.06542	4.6
86.09721	1.0
91.05479	13.3
93.07055	14.8
95.04982	6.8
95.08610	11.1
97.06509	4.5
103.05539	1.3
105.07035	29.6
106.07818	1.1
107.04951	1.4
107.08598	15.6
109.06516	9.4
109.10138	4.9
111.82852	1.0
115.05438	1.8
117.07012	7.9
119.08584	31.1
120.09443	1.5
121.06519	4.6
121.10146	15.6
123.08080	9.1
123.11689	1.2
125.05995	16.5
125.57288	0.9
128.06235	2.3
129.07010	4.1
131.08575	13.7
132.09386	2.0
133.06506	4.1
133.10130	19.5
135.08060	12.2
135.11693	4.4
136.08913	1.3
137.06012	2.3
137.09634	4.5
138.83110	1.2
139.07550	1.8
141.06937	1.9
142.07780	4.5
143.08551	11.5
144.09349	3.6
145.06473	1.7
145.10127	28.9
147.06935	1.6
147.08044	13.6
147.11697	4.3
148.08864	2.3
149.09618	13.8
150.10442	1.4
151.07574	8.0
151.11205	1.4
153.07047	1.5
155.06461	1.0
155.08582	5.3
156.09375	3.6
157.10173	13.1
158.10927	2.0
159.08049	6.9
159.11696	26.3
160.08858	3.1
160.12424	2.1
161.09622	9.4
161.13283	3.6
162.10426	1.3
163.07559	1.4
163.11186	26.2
165.09116	14.3
167.08595	2.8
168.09351	2.2
169.10153	8.4
170.10912	3.0
171.08072	1.5
171.11685	9.6
171.13060	1.6
172.08859	2.5
173.09593	7.3
173.13245	5.4
175.11194	18.8
176.11848	1.4
177.09145	3.9
177.12717	1.5
178.09891	2.8
179.08559	1.9
179.10733	2.5
180.11467	3.5
181.10185	5.3
181.12260	19.7
182.10896	1.7
183.11728	8.7
184.12463	1.7
185.09676	3.0
185.13235	5.3
186.10394	1.7
187.11205	8.0
187.14850	2.3
188.12022	1.4
189.09123	1.7
189.12793	5.0
190.13536	7.2
191.10681	5.2
193.10226	3.2
193.12273	10.7
194.10899	2.3
195.11714	7.2
195.13876	1.4
196.12480	2.4
197.09575	1.5
197.13286	7.8
199.11227	5.6
199.14841	2.7
200.12022	1.2
201.09120	1.1
201.12726	8.6
203.10690	1.1
203.14328	6.5
204.11296	1.1
205.12241	2.1
206.10912	1.3
207.11720	3.9
207.13850	9.0
207.61093	1.1
208.12589	2.2
208.14613	6.3
209.13245	4.3
210.14059	1.2
211.11227	3.4
211.14871	4.4
213.12798	4.6
215.10677	1.2
215.14343	3.0
216.15244	1.0
217.10207	1.0
217.12291	1.0
219.11931	1.8
219.13754	8.7
221.13264	3.4
221.15369	31.2
223.11275	1.8
223.14828	3.8
225.12747	3.3
225.16457	2.3
226.13536	1.6
227.14368	3.5
229.12337	1.4
229.15891	1.4
231.13799	2.3
233.13351	1.4
233.15463	4.5
234.16136	16.8
235.14799	1.2
235.16969	1.6
237.12770	2.0
237.16397	2.2
239.14351	3.2
241.12299	1.3
241.15744	2.5
243.13902	1.3
245.15451	2.6
247.14558	1.6
247.16956	16.4
248.17778	2.8
249.16486	1.5
251.14366	2.3
251.18066	1.1
253.15950	3.1
257.15436	3.1
259.17017	1.7
261.18625	2.8
265.15933	3.2
265.19617	1.3
267.17188	1.3
269.15378	4.6
269.18503	1.5
271.16937	1.4
273.18872	1.1
274.19391	2.4
277.16098	1.2
279.17548	3.7
279.20932	1.2
281.19183	1.4
285.18613	1.8
286.19321	4.1
287.20035	5.3
291.21640	1.0
297.18677	5.2
297.21976	1.4
298.19452	1.7
299.20032	12.3
307.20633	3.6
309.18677	2.1
310.19370	2.9
311.20200	5.7
312.20798	11.3
313.21542	14.7
321.22296	1.2
325.09036	1.1
325.21582	12.5
326.22537	1.9
339.23169	11.8
340.24008	36.3
341.24728	1.6
369.20935	1.7
400.26114	1.2
411.25284	1.7
413.26740	10.1
425.26828	21.5
426.27707	7.6
427.28452	32.3
440.29236	91.2
441.29813	1.3
487.32089	1.1
505.33331	5.0
520.35510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	7.7
55.05512	6.5
56.02204	4.4
66.79469	4.6
67.05514	7.0
69.03418	14.4
69.07072	8.7
70.84563	10.7
71.08641	5.4
79.05486	10.0
81.03419	10.1
81.07057	30.2
85.02912	34.2
86.09715	4.2
87.00852	4.6
91.05482	13.3
93.07041	18.6
94.06604	4.8
95.08603	20.8
97.02872	13.7
99.04428	5.0
103.05450	6.2
105.01868	10.4
105.07027	28.7
106.07278	4.0
107.08594	16.2
109.02871	8.5
109.06494	5.6
109.10164	10.5
116.10744	14.6
117.05454	4.5
119.08582	22.8
121.10158	13.0
123.11695	5.7
127.03912	14.5
130.48320	3.9
131.05006	3.7
131.08594	12.9
133.10133	15.3
135.08005	4.4
135.11694	6.3
137.05989	40.9
138.06320	15.6
145.04921	10.3
145.10121	34.9
146.03639	9.3
147.11708	9.2
157.10008	5.4
159.11688	22.9
161.05977	8.0
161.13257	14.3
163.11133	6.0
177.05482	13.0
178.06197	14.9
179.06650	6.4
197.09708	4.7
201.16415	25.4
214.18022	100.0
217.34146	4.4
219.17465	32.9
220.08658	7.0
233.16626	4.9
240.09856	5.0
263.06836	5.7
278.09244	8.3
290.08917	11.0
307.09741	6.2
308.09940	12.1
310.11411	5.1
322.11526	15.4
328.12619	11.7
340.12549	12.7
358.13467	7.2
376.23404	10.9
515.40277	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	520.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01446	0.5
55.05504	1.1
56.05035	1.6
58.06602	1.6
60.08167	18.7
67.05518	3.2
69.07061	1.2
69.42934	0.5
69.57878	1.7
69.58311	1.4
71.07375	7.1
79.05498	1.0
81.07049	2.9
86.09711	54.2
91.05502	0.6
93.07050	1.0
95.08617	1.8
98.98480	5.0
104.10750	100.0
105.07031	0.4
125.00014	30.7
135.58047	0.4
163.01569	0.5
184.07350	97.7
184.95354	0.4
190.55550	0.5
258.11011	1.0
337.27319	0.9
341.16431	0.5
443.25592	0.8
502.32928	7.8
520.33997	26.5
521.34467	0.6
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
53.03930	12.9
55.01884	8.9
55.05510	13.6
56.05049	10.5
57.03431	6.5
58.99598	9.2
61.02918	5.4
65.03904	5.8
66.93115	4.8
67.05511	35.5
67.45322	5.9
69.03429	24.7
69.07068	9.9
69.77172	16.8
69.77578	13.2
71.05003	16.9
73.02906	8.0
76.02234	18.2
79.05486	18.1
81.03424	23.1
81.07063	60.8
83.04961	11.2
83.08623	8.2
84.04500	18.1
85.02912	47.3
85.06516	8.0
87.00851	15.2
90.05535	5.7
91.05492	26.2
93.07048	49.3
95.08619	43.6
95.09163	7.1
97.01093	5.5
97.02899	20.0
97.06554	16.5
97.10129	6.7
99.04455	11.2
103.05471	5.9
105.01878	19.0
105.07047	57.2
107.08596	86.6
109.02860	16.1
109.10159	48.1
111.04482	6.0
111.08071	6.1
115.05468	5.9
116.01701	18.1
117.07002	8.1
117.68674	5.0
119.08600	54.6
121.06503	6.9
121.10142	22.9
125.09637	100.0
126.05543	6.2
127.03948	32.0
127.11217	18.0
130.07802	6.2
131.08575	22.8
133.10135	24.8
135.08127	8.5
135.11707	25.7
137.05959	20.8
138.06314	12.9
143.08525	7.0
143.10675	11.7
145.04953	15.3
145.10147	98.8
147.11696	12.1
149.13277	10.8
159.02969	9.7
159.11674	32.2
161.13274	18.8
162.02238	16.8
167.07062	6.4
171.47852	5.5
173.13266	23.6
176.02209	6.1
177.12860	8.6
179.04855	13.7
179.92581	5.5
191.17896	7.3
199.22778	6.5
201.16386	93.0
209.07950	7.0
219.17479	96.6
231.04907	7.1
237.18420	7.9
252.14297	10.6
270.15225	10.1
271.06018	28.1
272.06326	31.8
272.27826	5.4
274.26138	5.6
275.46329	5.8
288.16315	10.1
373.17920	65.5
391.19125	6.9
396.16010	6.4
474.75388	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	520.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.9
55.01867	3.9
55.05505	8.2
57.03441	8.3
59.04991	9.3
67.05495	14.8
69.03413	4.7
69.07064	9.5
71.04985	13.5
79.05495	20.4
81.03417	6.4
81.07063	59.3
83.04986	4.3
85.02897	18.0
85.06545	6.2
87.00828	9.0
91.05479	21.7
93.07050	81.9
95.04984	9.3
95.08624	19.6
97.02897	6.8
97.06528	14.4
97.10191	5.8
99.04459	15.9
105.01866	11.7
105.07034	48.3
107.08608	34.4
109.02895	10.6
109.06512	13.7
109.10185	27.7
111.04415	3.7
117.07013	3.5
119.08589	32.9
121.06507	67.2
121.10129	15.0
123.08109	3.7
123.11693	8.8
125.09628	20.9
127.03925	7.7
127.07559	8.7
127.11205	11.7
128.72052	3.3
131.08548	8.0
133.06519	4.4
133.10130	31.0
135.11691	25.9
137.05972	5.6
139.07533	8.5
141.01773	4.8
142.07748	4.6
143.08549	7.8
143.10724	21.8
145.04936	4.5
145.10161	34.3
147.08066	4.2
147.11668	21.5
149.13228	9.5
151.11201	6.9
157.10120	23.2
159.02884	4.4
159.11708	12.2
161.09691	6.9
161.13297	31.2
162.13628	3.9
163.11208	5.1
169.08620	10.6
169.12242	5.7
171.11690	12.6
173.13234	4.5
175.11215	14.9
179.14404	7.0
189.12769	29.8
189.68671	3.3
191.17900	4.2
195.10175	14.3
199.11122	9.2
201.16370	19.1
207.13771	8.1
213.11139	4.1
217.12242	43.9
219.17433	23.3
231.05087	4.9
235.13246	18.1
236.17114	3.6
237.18474	5.6
253.14317	4.6
291.15887	6.2
299.92831	3.5
309.13431	5.6
309.16983	100.0
314.13708	3.5
420.12054	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.5
55.05515	23.3
57.07082	4.6
61.01159	6.6
67.05495	12.1
69.03422	9.2
69.07068	9.4
71.04997	40.2
71.50098	4.6
73.06555	3.8
76.75958	2.8
79.05492	9.2
81.03451	4.9
81.07060	26.0
83.04989	7.5
83.08620	7.0
85.02893	12.0
85.06544	10.4
87.00842	6.2
88.44259	3.0
89.00643	10.2
91.05473	14.3
91.91498	3.1
93.07050	26.9
95.08611	34.9
97.02935	5.3
97.06535	5.8
97.10169	6.9
99.04457	3.3
99.08107	7.9
105.01891	6.0
105.07035	43.8
107.08605	44.5
109.06528	3.5
109.10150	26.7
113.09686	5.0
115.05466	4.0
117.07055	6.1
119.08596	31.9
121.10147	22.2
123.11720	10.2
125.09646	34.1
127.03931	8.6
127.11221	8.9
128.06207	3.8
129.07043	3.9
131.08588	16.8
133.10139	65.2
135.11723	6.5
143.08607	10.8
143.10677	100.0
144.24683	3.3
145.04939	3.6
145.10121	33.3
147.08113	4.4
147.11691	39.5
149.13290	24.1
151.11078	4.3
155.08551	4.5
157.10080	7.1
159.11726	27.6
161.09586	3.9
161.13281	29.0
167.14333	63.6
169.10242	4.2
169.88837	3.1
171.11725	4.7
173.09531	3.7
173.13293	5.5
191.17999	4.1
201.16418	32.8
219.17474	53.4
237.18495	11.3
367.12143	4.5
379.84396	3.4
385.13193	49.1
477.20712	5.2
485.18475	4.0
521.20361	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	520.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.05512	14.6
56.96560	2.7
57.03438	7.7
58.41111	1.5
60.04531	23.9
60.08169	11.5
61.02929	2.4
61.08525	1.5
65.03963	1.8
67.05510	47.3
69.07076	17.4
69.15512	8.4
69.15939	7.5
70.02947	8.4
71.04990	2.2
71.07375	5.2
79.05498	33.8
81.03414	1.8
81.07061	46.0
82.07375	1.7
83.08628	5.7
86.09712	25.3
87.10027	9.9
88.03994	100.0
91.05484	18.8
93.07050	34.3
95.04999	4.2
95.08610	33.7
97.02851	2.0
97.06522	2.1
97.10202	1.9
98.98475	63.6
104.10059	2.9
104.10751	54.8
105.07030	12.8
105.11092	20.0
106.05041	50.6
106.11185	3.6
107.08601	19.4
109.10146	15.9
117.07030	3.7
119.08591	11.9
121.10142	14.0
123.11687	4.2
124.99999	15.7
127.00423	4.0
131.08559	7.9
133.10106	7.3
135.11705	9.3
137.13297	2.4
145.10123	5.2
147.11703	5.3
149.13278	7.9
155.01060	16.0
158.58174	1.7
159.11739	6.6
161.13319	3.9
163.14790	3.8
173.02138	13.2
173.13322	4.9
175.14815	2.3
179.14325	1.9
183.40331	1.5
184.07349	39.5
185.07700	14.1
186.07896	9.8
187.14758	2.8
243.21103	9.8
255.09113	2.8
260.05319	5.0
261.22183	24.0
280.12906	1.6
290.26297	1.7
317.24789	3.4
335.25821	98.6
336.26227	2.0
348.25345	10.4
349.16946	2.4
367.18033	2.2
415.22424	3.5
502.31836	6.0
520.26526	3.3
520.33405	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	520.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01879	2.4
55.05521	3.9
59.26839	1.9
60.89476	2.1
61.73819	2.1
63.63890	2.1
67.05502	5.4
68.72131	2.0
69.03426	8.5
69.07085	6.1
69.38184	1.7
70.79885	5.4
71.04993	10.2
76.02221	2.1
79.05499	8.3
81.03423	6.0
81.07069	24.3
83.08611	2.3
85.02921	18.5
85.06546	10.0
86.09709	9.0
87.00828	6.7
91.05486	13.3
93.07047	27.4
95.08613	13.9
96.55161	2.0
97.02905	4.9
97.06531	2.8
99.04471	4.2
105.01854	4.5
105.07039	16.9
107.08607	15.5
109.02888	4.1
109.06531	2.3
109.10161	7.9
111.08086	3.7
117.07012	3.0
119.08601	17.7
120.08132	13.5
121.10146	9.1
123.08006	2.4
123.11699	7.1
125.09659	2.4
127.03925	8.8
131.08556	5.9
133.10135	17.9
135.11684	4.2
137.05984	17.4
137.09633	5.4
138.06342	3.9
145.05026	4.1
145.10132	13.0
147.04375	2.7
147.11693	6.4
149.13260	11.1
151.11191	3.3
153.01845	13.0
157.10101	2.3
159.02925	3.3
159.11694	10.3
161.06009	2.3
161.13274	12.7
163.14864	2.5
167.14339	19.1
173.13322	4.6
189.16429	9.1
191.14340	2.3
201.16422	16.3
207.17455	13.9
217.03227	2.1
219.17458	19.3
225.18462	12.4
233.16638	3.6
237.14746	3.1
237.18512	6.5
246.67609	2.2
255.19565	2.5
261.16202	2.5
271.06039	67.5
272.06381	100.0
273.07556	7.0
290.09146	2.6
318.18152	2.4
348.13602	3.0
373.18073	3.2
396.14804	2.6
434.12363	2.5
449.15469	6.5
450.16064	2.3
477.21326	4.2
502.19421	2.7
520.11652	2.1
520.20862	4.7
521.20172	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	520.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.4
55.01871	2.6
55.05502	4.3
57.03439	2.5
61.49242	0.8
62.08096	0.8
64.35011	0.9
67.05510	4.8
69.03431	2.0
69.07067	5.6
69.26530	7.9
71.04981	4.3
73.02916	1.3
77.03944	1.3
79.05493	12.3
81.03421	1.7
81.07063	23.2
81.63768	0.9
83.04995	2.5
83.08655	0.9
85.02915	6.5
85.06536	3.6
87.00826	1.1
91.05481	13.3
93.07053	58.5
95.01325	4.6
95.04986	7.2
95.08607	4.8
97.02933	1.4
97.06532	9.2
97.91697	0.9
98.20801	1.7
99.04459	12.6
99.89268	0.9
101.06020	2.2
105.01853	1.9
105.04500	1.2
105.07040	21.4
107.04952	1.5
107.08599	8.9
109.06535	11.8
109.10165	4.0
111.08070	1.5
113.02372	1.8
113.06007	2.1
115.05424	1.2
117.06993	2.4
119.04939	2.0
119.08599	18.4
121.06517	62.4
121.10146	3.5
123.08061	2.4
123.11739	1.0
125.09640	3.1
127.03922	1.9
127.07553	8.1
127.11205	1.6
129.05522	1.4
129.07004	2.5
131.08569	4.3
133.06483	2.8
133.10139	14.7
135.04434	1.5
135.08087	2.2
135.11667	2.5
137.05966	3.9
139.07539	10.1
141.01816	6.7
141.06966	1.0
142.07796	3.5
143.08583	7.2
143.10696	1.8
145.04874	1.0
145.10161	10.5
147.08061	3.4
147.11700	18.3
149.13275	1.5
151.07605	1.5
151.11241	1.4
156.09357	3.1
157.10149	15.9
159.08014	1.8
159.11697	2.6
161.09642	3.1
161.13301	8.2
163.11263	1.2
169.08635	10.1
171.08026	1.2
171.10291	2.1
171.11676	13.8
173.09601	2.6
173.13268	2.8
175.07596	2.7
175.11205	20.7
181.10170	1.3
184.28041	0.9
189.12758	28.4
191.14320	1.3
193.12253	5.3
195.10179	11.2
199.11198	11.7
201.16368	2.6
207.13815	9.8
213.11266	4.0
217.12257	42.2
219.17421	3.2
235.13319	17.5
237.18471	3.1
253.14433	5.2
291.15817	7.0
309.16992	100.0
310.17319	2.8
327.18118	1.1
467.18723	1.2
485.20172	1.7
535.99872	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.05521	13.7
56.30585	2.2
57.03439	5.9
57.07063	2.6
60.04526	22.5
67.05506	43.9
69.07059	10.4
69.82101	11.1
70.02944	8.0
72.63989	2.3
79.05074	2.6
79.05503	30.4
81.06657	2.8
81.07063	35.0
83.08622	3.8
86.09683	5.4
88.03997	93.9
91.05499	16.1
93.07042	36.9
95.08615	31.3
98.98479	60.9
104.10741	9.5
105.07056	11.9
105.11050	2.8
106.05041	44.7
107.08604	17.0
109.10157	14.4
117.06982	2.9
119.08577	10.9
121.10192	12.8
122.00032	2.2
123.11710	4.3
124.99966	3.6
131.08553	7.3
132.63979	2.4
133.10110	7.5
135.11691	10.2
145.10114	5.9
147.11713	3.5
149.13237	8.5
155.01079	12.3
159.11636	2.9
161.13219	5.2
163.14850	2.7
164.77066	2.2
173.02025	10.9
173.13286	5.2
184.07362	4.7
203.28053	2.1
224.25577	2.2
242.04265	3.0
243.21028	12.1
244.12399	2.3
261.22101	24.7
317.24707	3.9
335.25821	100.0
343.31836	2.5
348.25308	8.9
415.22452	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	520.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.7
53.03935	2.7
55.01866	2.6
55.05516	4.0
56.81721	0.7
57.03433	3.2
59.04995	1.6
62.28794	0.7
67.05492	4.8
69.03439	1.5
69.07055	3.7
70.44033	2.6
71.05008	3.9
73.02905	1.9
77.57735	0.8
79.05505	10.0
79.56610	1.0
81.03404	1.1
81.07066	21.2
83.04967	3.1
83.08630	1.1
84.77423	0.7
85.02918	6.0
85.06519	3.8
91.05479	11.6
93.07050	52.6
95.01344	4.2
95.04966	6.4
95.08630	4.6
97.06536	8.2
99.04459	12.2
101.06007	2.7
103.03925	1.2
105.01868	1.9
105.07036	17.9
107.04945	2.2
107.08586	8.3
109.06532	11.0
109.10164	4.3
111.08091	1.4
113.02369	2.0
113.05981	2.1
117.06957	1.3
119.04947	1.1
119.08598	16.3
121.06512	58.5
121.10117	2.5
123.08106	1.3
123.11741	1.1
125.09642	2.1
127.03862	1.6
127.07548	8.0
128.06224	1.0
129.05449	2.2
129.07014	2.5
131.08551	4.5
133.06496	3.5
133.10149	13.6
135.08031	2.4
135.11668	3.1
137.05956	3.5
139.07562	10.7
141.01791	4.9
142.07774	3.9
143.08548	5.7
143.10663	2.0
145.10153	8.4
147.08046	3.7
147.11697	18.0
155.08557	1.6
156.09364	1.7
157.08791	1.0
157.10139	16.3
159.02931	1.6
159.08066	1.0
159.11739	2.4
161.09599	3.2
161.13248	8.6
163.11116	1.1
169.08638	8.4
171.10196	2.4
171.11688	12.6
173.09590	2.2
173.13292	2.2
175.07600	1.0
175.11200	15.0
175.14755	0.8
181.10146	2.0
189.12766	28.8
191.14351	0.8
193.12280	4.3
195.10204	10.7
199.11191	10.1
201.16379	3.7
206.10553	0.9
207.13785	8.5
213.11212	4.8
217.12254	39.1
219.17442	3.7
235.13324	21.7
237.18423	2.1
248.62135	0.9
253.14308	5.8
291.15918	7.7
300.99139	0.9
309.16983	100.0
310.17197	1.0
385.13113	1.4
485.20059	2.3
520.19812	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.3
55.01870	4.0
55.05505	2.7
57.03436	4.5
60.36015	1.7
65.03912	2.1
67.05495	5.0
68.99744	2.1
69.03426	3.2
69.07071	3.7
70.69949	5.9
71.04982	3.4
79.05483	11.2
81.07058	16.6
83.05005	3.4
85.02901	5.5
85.11502	1.9
89.43114	1.9
91.05466	12.7
93.06488	3.4
93.07049	55.4
95.01360	2.9
95.04999	4.5
97.06549	13.0
99.04457	13.1
105.07045	21.5
107.08571	7.2
109.06538	12.4
119.08582	16.4
121.06525	26.6
127.07587	3.7
129.05484	3.9
129.06934	2.5
131.08617	3.0
133.06522	2.6
133.10101	9.2
139.07544	22.6
141.01805	4.1
142.07802	2.5
143.08556	7.7
145.10118	5.0
147.07999	3.0
147.11707	23.0
156.09312	2.9
157.10161	11.5
159.11819	2.8
161.09560	3.2
161.13271	9.0
171.11703	14.7
175.11172	15.2
189.12747	30.2
195.10146	5.5
199.11182	10.0
207.13828	9.9
217.12259	35.0
235.13268	15.3
236.75421	2.8
253.14307	6.3
291.15839	8.8
309.16974	100.0
310.17380	3.1
385.13129	2.7
460.39874	2.3
485.20081	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	519.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01876	7.7
55.05514	36.4
57.03429	2.6
57.07076	11.3
65.03946	1.3
67.05173	1.8
67.05509	21.6
69.03400	1.3
69.07076	33.0
71.04986	2.8
71.08636	8.1
73.04745	1.9
73.28350	1.1
79.05502	30.6
80.39447	1.0
81.03411	1.9
81.06586	1.9
81.07053	24.7
83.04965	4.8
83.08162	2.0
83.08627	31.6
85.10187	2.9
91.05453	11.7
93.07047	37.0
95.04967	5.9
95.08611	40.6
97.02887	4.0
97.06522	5.6
97.10185	17.0
98.21539	2.7
99.04457	3.2
104.10732	1.2
105.04411	1.2
105.07034	10.5
106.30118	1.1
107.04957	8.4
107.08595	28.1
109.06548	1.5
109.10147	5.1
111.08100	1.8
111.11706	5.2
117.07017	11.8
119.08588	10.8
121.06535	5.6
121.10147	14.8
123.11739	2.3
125.05978	1.7
125.13224	1.7
130.07770	2.2
131.08566	1.7
133.10097	3.8
135.08049	2.3
135.11696	47.2
137.13150	1.4
139.07516	2.0
143.08553	1.2
145.10124	28.3
147.11766	2.0
149.13284	1.7
153.12747	1.7
159.11655	1.5
163.11185	55.8
163.12560	2.7
167.05644	1.9
173.09668	1.5
181.12265	12.4
209.11758	3.2
214.77649	1.4
218.11110	1.2
227.12790	100.0
229.11604	1.4
237.22118	14.1
266.99887	1.4
299.06146	1.8
324.28510	1.2
339.92957	1.2
370.77283	1.3
379.66788	1.4
459.21875	1.2
501.37369	1.7
519.36780	74.3
520.36926	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29192	2.5
52.88663	3.1
55.01870	3.6
55.05517	7.2
55.80197	2.8
61.01146	9.8
63.99425	2.5
67.05502	3.3
69.03439	5.9
69.07064	3.0
71.50906	4.9
73.53065	2.5
79.05499	6.7
81.07042	5.7
83.04986	8.7
89.00632	12.7
90.67947	2.9
91.05494	5.1
93.07053	5.0
95.08603	5.2
95.22958	3.6
99.04436	3.4
105.07014	10.6
107.04942	4.4
107.08575	5.4
117.07021	5.7
119.08599	6.1
121.06545	3.8
127.11115	2.6
129.07011	6.9
131.04990	4.2
131.08597	10.2
133.06483	3.2
141.06972	4.2
143.08603	17.0
145.10161	18.0
155.08569	10.4
157.10115	10.8
159.07959	3.3
159.11703	4.8
161.09579	3.9
167.05478	3.0
169.10104	13.6
171.06572	7.9
171.07967	3.5
171.11702	11.6
173.09641	10.3
181.10088	18.4
183.08199	3.7
185.09666	4.2
187.11205	5.1
189.12794	2.8
197.09705	4.8
199.11205	12.6
201.16371	2.9
209.09602	3.6
215.10760	10.4
217.12318	6.5
219.17525	3.4
227.10721	12.2
233.11792	5.0
234.35168	2.8
245.11780	10.2
286.22549	2.8
303.10416	3.0
309.16901	7.5
321.11600	3.9
339.12589	8.2
349.11118	8.4
367.12048	15.0
385.13187	100.0
485.18198	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	519.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.6
58.73114	1.9
61.44761	2.2
69.25900	8.6
69.26321	9.3
70.06588	2.9
79.05504	6.2
81.81980	2.0
84.08133	2.9
85.02905	5.1
86.09676	2.1
91.05467	14.3
93.03483	1.8
93.07041	4.0
97.06526	3.0
99.71835	1.9
103.05461	16.6
105.07032	16.4
107.04975	5.9
109.06474	3.8
112.49386	2.3
115.05463	6.2
117.06987	3.0
119.04952	7.6
119.08587	4.7
121.02859	4.7
121.06511	6.7
121.10181	2.4
122.03646	8.2
128.06241	5.4
129.07024	12.1
131.04924	25.2
131.08583	2.7
133.02855	3.7
133.06512	14.1
137.05986	100.0
144.05716	3.5
145.06506	6.1
147.04433	9.9
147.08073	6.7
149.05956	8.0
151.03951	2.8
151.07547	7.8
153.05460	2.9
155.04842	2.6
157.06499	8.4
159.08054	14.5
160.05220	5.0
161.06006	45.4
161.09619	3.1
162.06732	3.3
163.07538	18.8
165.07039	3.1
167.07025	4.4
171.04300	2.4
172.03871	4.5
172.05228	13.5
173.05928	3.4
175.07568	33.3
177.05481	4.8
177.09138	5.2
178.07800	2.5
179.07047	4.8
179.08437	2.6
185.05989	8.3
187.07552	45.9
189.05440	2.4
189.07056	2.1
189.09114	9.0
190.07780	3.1
191.07040	8.7
191.08572	2.7
192.83600	2.4
194.07289	5.7
199.07510	10.7
201.09167	3.7
202.07774	3.2
203.06973	9.8
203.26405	2.0
204.06569	8.3
206.07262	2.4
207.08076	3.2
210.06894	2.4
211.07481	2.6
215.06935	2.6
215.08743	3.4
217.08548	15.1
218.07310	3.9
219.08011	4.1
221.05963	3.2
222.06682	5.1
223.07686	3.0
225.09174	5.1
231.08008	7.1
233.09914	2.6
234.06769	3.5
235.07584	5.0
237.09096	4.3
245.09669	2.5
247.07475	6.9
248.08339	3.6
249.09076	5.9
250.10019	2.4
251.07092	5.4
251.10458	1.9
256.08725	2.5
259.07364	4.3
260.08301	5.4
261.09131	9.0
263.07040	5.7
263.10522	2.3
264.07855	2.8
265.08548	12.0
267.10352	2.5
269.11969	2.6
271.07401	2.7
274.06757	2.5
275.10654	5.3
277.08612	7.0
278.09311	3.7
278.44839	2.2
279.10129	3.2
280.10889	2.4
281.11661	6.4
282.09085	2.5
283.09854	11.0
285.11362	4.6
289.08655	9.8
291.10150	7.1
293.08130	3.0
293.11356	5.0
295.09766	3.0
297.11270	19.4
299.06110	2.6
303.10172	5.0
304.10831	3.5
306.08749	3.1
307.09564	3.5
309.11157	10.9
311.12994	2.8
315.12787	11.3
321.11273	22.3
323.12811	8.7
332.10526	4.4
333.11307	2.5
335.12851	14.9
339.12500	4.3
340.13077	3.2
347.12845	13.9
365.13974	6.6
377.13748	3.4
439.15405	5.0
448.15182	5.0
459.17944	5.3
471.17932	13.3
474.36270	2.6
483.18362	2.6
489.19006	7.3
501.19278	16.6
519.19910	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	519.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.9
55.01875	6.9
55.05515	35.6
57.03421	1.7
57.07077	11.9
62.06995	0.9
65.03913	1.7
67.05507	26.2
68.17609	0.8
69.03398	2.1
69.07072	30.7
69.07432	1.0
69.34665	2.1
69.34985	8.0
71.04966	1.5
71.08636	5.4
79.05495	32.7
81.03381	3.3
81.07059	31.0
83.04950	3.1
83.08622	29.4
83.79327	0.9
85.06541	1.0
85.10175	1.6
91.05479	12.2
93.07043	42.2
95.04960	6.8
95.08611	42.8
97.02850	3.0
97.06545	5.1
97.10171	15.1
99.04411	2.8
105.07031	9.8
107.04964	8.2
107.08594	30.6
109.06475	2.1
109.10157	7.5
111.04370	0.9
111.08031	1.7
111.11715	4.8
117.07021	9.2
119.08593	14.3
121.06528	5.7
121.10142	16.4
123.11691	2.2
125.05943	2.2
125.13264	1.3
128.41560	1.0
129.06961	1.0
130.07742	2.1
131.08527	2.5
133.10139	6.1
135.07986	2.9
135.11697	46.6
137.13220	1.6
139.07536	1.5
143.08514	2.2
145.10130	30.7
147.11644	1.5
149.13211	2.1
159.11670	2.1
161.13191	2.1
163.11183	57.1
173.09583	1.5
180.19142	0.9
181.12236	14.4
184.07243	1.5
187.14717	1.1
203.17845	2.1
209.11589	2.7
227.12785	100.0
237.22090	12.3
427.35516	2.3
501.38956	3.8
519.36462	78.9
520.36145	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	519.1865
Annotation	Simplexoside
Peak:m/z	Relative Intensity
53.03941	0.6
54.59986	0.3
55.01844	0.3
61.02925	0.5
67.05509	0.4
68.56579	0.3
69.03432	1.6
71.05035	0.9
73.02919	0.6
79.05476	0.8
81.03402	0.9
81.07043	0.5
84.33865	0.2
85.02907	3.0
87.04462	0.4
89.56158	0.3
91.05480	1.3
91.21204	0.3
94.04194	2.4
95.04966	0.7
97.02891	1.2
103.05455	0.4
105.07046	0.8
107.04925	0.7
109.02880	0.5
109.06505	0.4
113.38029	0.3
115.05438	1.3
117.07009	1.1
119.05008	0.3
122.03653	5.6
125.05997	0.3
127.03915	0.7
131.04927	1.0
133.06468	0.3
135.04370	0.3
137.05988	100.0
138.06352	0.9
141.62555	0.3
143.04933	7.2
145.06487	0.6
147.04424	0.3
151.03917	16.1
151.05011	1.3
151.07660	0.3
161.05991	1.4
163.07613	0.6
165.05623	0.4
175.07602	2.5
177.05579	0.3
177.09151	0.4
187.07561	1.1
189.09206	0.4
191.07050	0.5
203.07065	1.9
204.06635	0.3
205.08591	3.6
217.08746	0.4
219.08081	0.3
219.13828	0.5
225.65388	0.3
261.09149	0.4
265.08612	0.3
277.08734	0.6
287.07251	0.4
291.10269	0.3
295.09753	0.3
303.10376	0.4
309.11380	0.5
321.11237	1.1
327.12289	13.1
328.12796	0.3
335.13013	0.6
339.12241	0.7
347.12759	0.8
357.13327	7.8
365.13885	0.8
448.15222	0.4
489.17877	0.7
519.18695	29.8
520.19312	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1878
Annotation	Balanophonin 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03963	3.1
55.01867	10.5
61.02928	3.6
61.47215	3.1
61.53307	2.9
63.53086	2.6
64.36584	2.7
65.03954	3.0
69.03433	9.6
69.72679	5.4
69.73089	12.5
79.05504	5.4
81.03404	4.5
81.07071	4.9
82.43002	3.0
83.83334	2.7
85.02466	3.3
85.02903	23.0
91.05446	7.2
93.03434	4.6
93.07063	7.1
94.04161	6.1
95.04971	2.8
97.02887	8.0
98.20889	4.7
99.04521	3.2
103.05460	7.8
105.07024	9.4
109.06519	3.4
115.05431	6.4
119.08578	6.3
121.06491	3.2
121.43258	2.4
122.03646	8.7
125.06003	4.1
129.07036	4.6
131.04921	10.4
137.05989	100.0
143.04866	3.5
146.03577	3.3
147.11682	5.6
149.05984	3.0
151.03818	3.1
153.05432	3.6
155.04941	3.3
157.06503	3.0
160.05270	2.8
160.12183	2.8
161.05959	17.5
162.06711	3.3
163.07549	14.0
165.05478	11.4
171.04355	3.3
173.06062	3.2
175.07594	8.7
177.05421	6.9
183.26546	2.9
185.06023	4.6
187.07556	3.1
189.07101	3.4
190.07816	5.7
191.07022	11.1
191.08569	5.3
199.07541	3.8
202.07809	3.7
203.07054	5.3
207.08070	4.0
215.06982	4.9
217.06566	3.7
217.08711	10.0
218.07201	7.3
219.08173	13.3
221.06024	3.5
231.08128	3.8
234.06630	4.4
235.07582	10.3
236.08182	3.5
246.06705	6.4
247.07587	16.7
248.08383	3.6
249.09125	8.8
251.06857	4.0
251.10654	5.2
257.05963	5.7
259.07343	4.7
261.09076	15.8
263.07114	6.8
264.07758	5.1
265.08600	3.8
266.09360	3.4
274.06277	10.0
275.06973	9.5
277.08661	17.4
278.09320	5.4
279.10172	9.5
289.08627	29.1
289.30688	3.0
290.09177	4.0
291.10165	7.3
292.07358	4.3
294.08960	7.3
295.09720	4.6
306.08807	6.0
307.09653	53.5
309.11163	18.1
321.11206	57.7
323.12714	12.7
327.12335	46.3
339.12268	50.5
341.13943	4.8
357.13449	28.4
448.29379	3.2
514.08063	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	518.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	1.1
53.03949	1.6
55.01863	1.6
55.05508	6.3
57.03441	1.8
61.02934	1.6
67.05516	7.7
69.03443	5.2
69.07055	4.6
69.70043	6.4
70.06574	1.5
71.04984	1.7
71.80276	1.2
73.02901	1.1
75.04472	2.2
79.05510	5.8
81.03431	6.7
81.07062	15.8
83.04963	2.5
83.08617	3.3
85.02924	8.8
85.06539	2.0
87.00849	5.5
91.05483	10.5
93.07046	19.3
93.12254	1.1
95.04975	1.4
95.08606	15.3
97.02881	3.4
97.06494	3.2
99.04447	2.9
99.08089	8.5
105.01854	3.5
105.07032	31.7
107.08603	21.6
109.02860	3.8
109.10155	15.6
109.11360	1.2
111.08066	2.6
117.07008	2.0
119.08585	26.8
121.06547	1.0
121.10143	10.1
123.08068	10.0
127.03931	5.5
131.08591	3.6
133.10130	17.0
135.08080	2.1
135.11700	2.3
139.07559	1.4
143.08527	1.1
145.10124	2.7
147.11696	7.0
149.09596	1.4
153.09087	2.9
157.10139	2.7
159.02972	1.6
159.11688	9.7
161.13261	100.0
162.13678	1.7
165.09100	2.2
167.10661	4.0
175.11136	2.0
177.12808	1.6
179.10649	3.2
179.14304	1.5
181.12251	7.3
189.16391	15.3
199.14778	3.3
207.17419	3.6
217.15875	13.6
227.95833	1.1
231.05072	1.3
235.16930	87.8
235.73560	1.0
236.17220	2.4
239.23096	1.0
253.18001	45.4
254.18304	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
56.05037	1.6
57.03445	0.3
58.06581	1.5
59.07393	0.4
60.08168	16.4
65.03928	0.2
67.05177	0.2
67.05503	2.0
69.07069	0.6
69.77550	0.7
69.77962	0.4
70.06617	0.2
71.07379	6.9
77.18099	0.2
79.05495	1.6
80.58847	0.2
81.07069	2.1
83.08605	0.2
83.27910	0.1
86.09711	49.1
87.10085	0.2
91.05484	0.8
93.07053	1.8
95.08602	1.2
98.98473	4.6
104.10750	100.0
105.07023	0.4
105.11085	0.7
107.08597	0.7
109.10110	0.4
119.08543	0.4
121.10133	0.3
125.00012	27.5
131.08572	0.2
133.10083	0.2
137.00061	0.2
160.31140	0.2
163.01566	0.5
166.06352	0.3
184.07350	98.1
185.07709	0.6
232.10220	0.2
258.11060	1.1
335.25754	1.0
387.80865	0.2
391.87961	0.2
441.24277	0.4
500.31366	8.0
501.31757	0.2
518.32471	21.7
519.32709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.2
56.05033	0.6
57.03434	0.2
58.06635	0.5
58.99580	0.1
59.07404	0.1
60.08168	6.6
67.05507	0.6
69.07070	0.1
69.85725	0.4
70.06603	0.2
71.06985	0.2
71.07378	3.4
79.05502	0.3
80.02842	0.1
80.97437	0.1
81.07066	0.4
86.09711	31.5
87.10038	0.1
91.05485	0.2
93.07053	0.3
95.08624	0.3
98.98473	3.2
104.10049	0.2
104.10749	3.0
105.07033	0.1
107.08586	0.2
109.10170	0.1
121.10168	0.1
125.00011	22.6
140.25333	0.1
143.01073	0.1
166.06332	0.1
184.07350	100.0
185.07689	0.3
246.17793	0.1
258.11090	0.1
335.25659	0.2
500.31403	1.0
518.25513	0.1
518.32483	1.4
525.54694	0.1
531.74933	0.1
540.21710	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	518.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
60.67268	1.8
67.05497	6.5
69.03413	2.8
69.82001	3.3
69.82423	6.4
71.05000	22.0
72.00458	1.7
79.05504	2.4
80.07235	1.7
81.03400	1.6
81.07044	2.9
91.05494	3.0
93.07069	3.2
93.22161	1.5
95.08601	1.9
98.21499	2.3
105.06979	1.6
109.10155	4.3
120.46087	1.8
121.06501	5.3
121.10149	2.7
127.11204	100.0
130.01349	1.7
133.10109	1.7
135.08087	2.2
137.05959	8.1
145.10085	1.9
149.09624	3.3
151.07539	7.2
159.07976	1.7
163.07474	1.8
173.09579	3.4
177.09108	26.0
191.10660	3.2
233.15393	18.8
251.16489	12.6
294.97031	1.7
519.27014	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	518.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	79.3
57.03444	7.8
61.01147	8.9
67.05515	8.9
69.03417	9.6
69.71598	40.1
70.06591	6.9
71.04996	8.7
79.05511	8.4
81.03422	7.8
81.07076	14.2
83.04983	100.0
85.02913	14.5
87.00806	7.1
89.00634	9.6
91.05481	21.0
93.07046	21.5
95.08598	7.9
97.06487	8.7
98.20782	12.2
99.04465	8.1
105.07026	19.6
107.08586	11.6
109.02897	8.5
109.06512	8.0
109.10168	11.1
114.09157	16.1
117.06982	9.5
119.08584	24.6
120.03873	5.6
121.10138	12.4
123.08059	7.1
127.03923	12.1
128.06224	6.7
131.08572	9.7
134.64027	5.8
143.08569	7.6
145.06461	7.8
145.10202	10.6
147.07983	7.4
154.07774	7.5
157.10124	13.9
161.05957	8.5
169.10150	12.8
171.08098	10.4
173.05830	7.0
185.09648	15.3
187.11201	6.7
189.09128	7.2
197.09654	17.7
210.14894	9.4
213.09094	45.4
215.10762	17.2
217.12169	6.8
217.15857	11.8
225.09097	22.7
231.10092	15.4
235.16821	10.1
243.10194	30.0
273.70990	6.7
293.08279	17.6
319.09854	12.5
334.99722	6.5
335.09482	17.2
337.11136	8.9
340.48300	6.4
347.09439	10.1
365.10370	34.3
383.11493	12.0
425.25330	8.5
465.16379	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	517.3893
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03941	1.8
55.01876	1.7
55.05513	16.3
57.03433	6.6
57.07073	2.2
65.03952	1.5
67.05511	26.6
69.06723	1.6
69.07074	15.3
70.76969	2.8
71.04988	2.5
79.05499	20.7
81.07061	31.8
83.04991	1.8
83.08624	8.9
83.49504	1.2
85.06549	2.0
91.05486	17.4
93.07046	29.6
95.04984	1.8
95.08615	27.4
97.06540	1.7
97.10169	4.3
103.05494	1.1
105.04519	1.8
105.07036	22.6
107.08601	17.7
109.10159	11.9
111.08119	2.2
113.50615	1.0
117.07030	8.1
119.08588	24.3
121.10146	14.7
123.08097	1.3
123.11734	4.6
129.06976	5.1
130.07814	1.0
131.08583	17.3
133.10136	20.6
134.10522	1.5
135.11737	9.6
137.09607	1.3
143.08546	5.3
145.10118	16.6
147.11710	11.7
149.09657	2.1
149.13237	6.1
155.08604	3.3
157.10152	5.5
159.11725	12.6
161.13272	7.5
163.11244	1.2
163.14786	2.1
165.12892	1.3
169.10199	1.7
171.10397	1.1
171.11713	6.0
173.13278	9.4
175.14886	3.8
177.16399	1.2
183.11682	1.7
185.13243	6.4
187.14841	5.7
189.16508	2.1
197.13397	3.0
199.14888	3.8
201.16476	2.3
211.14859	1.9
213.16553	1.5
225.16550	1.4
241.17879	2.7
241.19969	1.3
245.19098	1.5
259.20645	3.6
271.20706	1.5
273.22214	1.9
287.23752	2.2
299.23645	1.5
301.25253	1.5
317.24765	1.6
327.26752	1.6
333.24225	2.0
345.28278	1.2
361.27472	1.5
377.26855	1.5
399.25342	1.4
407.33093	3.8
411.79605	1.1
412.49216	1.1
419.31491	1.5
425.34174	14.8
443.35303	7.2
489.58728	1.4
498.30014	1.4
499.37915	17.1
517.38953	100.0
518.39337	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	517.3895
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
52.87919	0.7
53.03944	3.0
55.01871	1.2
55.05516	13.5
57.03446	5.1
57.07060	2.0
65.03938	1.9
67.05509	30.7
69.03446	1.0
69.07075	15.5
69.51408	5.9
71.04993	2.4
79.05499	25.0
81.07061	34.2
83.05013	1.1
83.08626	9.0
85.06547	1.6
91.05490	20.7
93.07050	30.5
93.07645	1.6
95.04961	1.7
95.08615	30.4
97.06532	2.3
97.10177	4.0
97.69041	0.8
98.21552	0.9
99.08096	1.1
103.05475	1.0
105.07038	26.0
107.08604	21.2
109.06524	1.7
109.10164	13.0
111.08110	2.1
111.11728	0.8
115.05376	0.7
117.07024	7.7
119.08587	23.0
121.10157	16.3
123.08102	1.0
123.11719	3.2
125.09581	1.1
129.07031	4.5
130.07806	0.9
131.08577	15.9
133.10136	19.7
135.08063	1.4
135.11694	9.5
137.09666	1.1
137.13272	1.4
141.07011	1.3
143.08574	6.2
144.09366	1.0
145.10129	17.0
147.11682	13.3
149.09648	1.5
149.13268	6.8
155.08557	2.9
157.10138	5.9
159.11699	13.6
161.13284	7.8
163.11200	1.2
163.14864	2.8
169.10149	1.8
171.11629	5.5
173.13283	9.6
175.14859	4.2
177.12785	1.2
177.16432	1.3
181.10115	1.0
183.11711	3.6
184.07384	0.9
185.13287	4.8
187.14870	5.7
189.16403	2.1
191.14406	0.8
197.13303	1.8
199.14838	3.8
201.16441	3.0
203.18088	1.2
211.14821	1.2
213.16447	2.6
219.17371	0.9
223.17093	1.2
225.16718	0.9
227.18088	1.2
231.17589	1.0
231.30258	0.8
233.18997	0.9
241.18063	3.1
245.19093	1.1
249.18559	0.9
259.20660	2.8
263.20169	0.9
267.19443	1.0
273.22076	1.8
281.20898	0.9
285.22272	1.6
287.23706	1.7
289.21744	0.9
291.23141	0.8
299.23660	2.2
301.25369	1.4
313.25262	2.1
315.23260	1.5
317.24838	1.3
323.85507	1.0
325.25302	1.5
327.26895	1.7
331.26440	1.2
333.24390	2.1
391.28656	1.4
405.30057	1.9
407.33005	4.5
419.31772	1.6
425.34155	14.0
443.35287	6.8
450.28967	1.0
459.34723	0.9
461.36719	1.1
477.60657	1.0
481.36667	1.3
499.37973	18.8
500.38281	1.1
517.38947	100.0
518.39209	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	517.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34740	1.0
63.33956	1.2
69.03433	2.2
70.00227	2.1
70.00624	2.5
70.06615	5.7
72.08158	1.4
72.67747	1.1
84.08125	1.7
85.02915	9.2
86.09705	2.2
89.03931	4.4
97.02930	2.8
97.94640	1.0
98.21385	1.3
98.97604	1.1
107.04972	1.4
110.06072	1.1
117.03391	5.8
127.03960	2.3
135.04419	11.6
145.02850	10.7
145.04965	1.4
163.03918	100.0
210.33571	1.2
230.11401	1.9
235.29709	1.0
301.28287	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55266	0.7
69.03423	1.8
70.06598	7.3
71.06943	1.8
71.49070	0.8
71.49483	1.2
73.15409	0.7
79.05492	1.2
83.04977	0.9
85.02899	1.5
89.03928	5.2
97.47772	0.7
98.21245	1.3
98.97596	0.8
112.07596	5.1
113.07931	1.7
117.03387	7.2
135.04427	14.3
140.07082	2.3
141.07401	1.7
145.02844	10.0
157.09708	1.0
163.03918	100.0
209.54303	0.8
241.06517	0.8
301.82361	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32495	2.1
52.51385	1.9
53.03936	9.2
55.01884	10.8
55.05506	13.5
57.03440	18.4
59.05013	14.7
59.75930	2.4
61.02920	3.8
63.45569	2.1
65.03934	5.6
67.05508	24.6
68.02654	2.3
69.03436	27.6
69.07079	13.3
69.76141	2.7
70.08073	10.2
71.01356	38.4
71.05000	19.9
73.02924	11.6
75.04473	9.2
79.05077	2.4
79.05500	35.8
81.03419	5.4
81.07060	48.6
83.04987	25.4
83.08599	3.4
85.02911	78.3
85.06539	9.3
87.04468	26.9
91.05480	38.5
93.07044	100.0
95.01292	3.9
95.04966	25.6
95.08614	26.7
97.02901	34.6
97.06535	31.6
98.20821	2.2
99.00819	19.9
99.04455	38.7
101.02338	3.9
101.05988	3.6
103.03947	7.8
103.05486	2.3
105.07036	84.0
107.04940	6.6
107.08600	75.9
109.06538	29.4
109.10181	14.6
111.04462	15.5
111.08077	7.7
113.02384	21.1
117.05507	4.6
117.06989	7.4
119.04944	3.1
119.08581	52.0
121.06517	41.5
121.10138	11.5
123.00780	3.0
123.04424	4.6
123.08067	8.6
123.11797	4.0
125.06000	20.1
127.03917	8.0
127.07538	7.4
128.06242	2.4
129.05502	15.9
129.06964	5.9
131.03380	8.2
131.08585	7.7
133.06516	3.5
133.10149	25.3
135.04428	2.9
135.08067	29.7
135.11656	2.8
137.05960	6.3
139.07556	16.7
141.01863	6.5
142.07755	7.9
143.07010	15.3
143.08554	10.0
145.04971	7.5
145.06526	3.3
145.10129	17.1
147.08029	8.4
147.10513	4.7
147.11693	97.8
149.13239	7.2
151.07605	3.7
155.05946	2.4
155.07117	3.5
155.08359	2.6
156.09369	5.3
157.08594	9.5
157.10126	18.6
159.11726	3.1
161.09595	4.4
161.13232	23.2
163.07472	2.3
163.11218	4.4
165.12773	27.8
167.98282	2.4
169.04941	4.9
171.06490	3.9
171.11687	25.8
173.04477	4.4
173.07997	3.0
173.09601	4.4
173.13255	5.4
175.07709	2.4
175.11192	38.4
175.12604	4.3
187.11220	2.5
189.12747	42.8
193.12241	39.5
199.11203	18.0
206.81155	2.4
207.13805	34.6
209.11685	2.4
211.13293	6.4
215.05537	9.9
217.12253	69.5
229.07086	2.6
229.14384	2.9
235.13252	41.4
247.08035	5.2
253.14445	16.5
291.15906	4.4
309.16989	16.0
327.17999	35.0
467.18927	5.5
468.87799	2.3
517.23425	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	517.3892
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03944	2.2
55.01868	1.3
55.05513	14.8
55.53649	0.6
57.03438	4.7
57.07059	1.9
64.66547	0.7
65.03931	1.7
67.05505	34.4
69.06686	0.8
69.07069	14.0
71.00906	2.0
71.04982	1.3
79.05496	24.1
81.07058	36.3
83.04987	1.3
83.08620	8.8
83.09074	1.1
85.06544	1.5
91.05482	19.6
93.07047	32.1
95.04964	2.3
95.08608	30.2
97.06529	3.4
97.10174	3.7
99.08114	1.0
103.05487	0.9
105.04507	1.3
105.07034	26.6
107.08599	20.5
109.06517	1.2
109.10160	15.0
111.08127	1.4
115.05404	0.8
117.07014	9.0
119.08582	23.4
121.10137	16.6
122.62386	0.7
123.08110	1.1
123.11670	3.4
125.09608	1.3
128.06187	1.0
129.06999	3.4
131.08565	17.5
133.10139	16.8
135.08061	1.4
135.11690	8.4
137.09627	0.8
137.13229	0.9
139.11194	0.7
141.07019	1.9
142.07755	1.1
143.08543	6.6
145.10120	16.2
147.11685	13.4
149.09570	1.6
149.13274	5.9
155.08533	2.5
157.10112	5.7
159.11691	12.2
161.13263	8.0
163.11227	0.9
163.14825	3.8
167.08449	1.0
169.10060	3.6
171.11717	6.1
173.13258	9.2
175.14850	5.6
177.16336	1.0
181.10136	1.0
183.11734	3.4
185.13255	6.2
187.14803	4.7
189.16396	2.2
191.17967	0.8
195.11612	1.0
197.13284	2.2
199.13313	1.6
199.14851	3.7
201.16426	2.1
203.14378	0.9
203.18005	0.9
205.15915	1.4
211.14796	1.4
213.14690	1.0
213.16469	1.2
215.17947	1.2
217.15919	0.9
219.17487	1.5
225.16397	1.2
227.18120	1.2
231.17680	0.7
233.88612	0.7
241.18016	3.2
245.18976	1.4
247.20735	0.7
249.18570	1.1
259.20514	3.4
263.20206	0.8
271.20486	0.9
273.22192	1.6
275.20102	0.9
277.21863	0.8
285.22086	0.9
287.23584	2.0
291.23239	0.9
299.23672	2.1
301.25323	1.5
303.23190	1.2
307.22510	0.9
313.25244	2.3
315.23193	1.3
317.24725	1.1
327.26904	2.0
333.24283	1.6
337.25516	0.9
391.28647	1.4
405.29977	1.5
407.32990	5.6
419.31827	1.9
421.29401	0.9
425.34134	15.3
426.34830	0.9
443.35385	7.6
447.30783	1.7
481.36462	1.0
499.37915	19.5
517.38910	100.0
518.39331	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	516.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.5
56.04103	2.8
67.05502	10.9
69.07063	11.1
71.04996	38.1
71.51224	5.6
79.05488	11.0
81.07061	14.8
83.08618	3.3
91.05487	12.3
93.07037	10.4
95.08608	10.3
97.10145	3.2
105.07051	7.3
107.08605	18.7
109.10139	12.6
119.08585	6.0
121.06534	14.3
121.10146	5.2
123.08112	3.8
125.09686	3.6
127.11204	100.0
131.08592	5.3
133.06424	3.7
133.10155	5.7
135.08055	23.1
135.11707	3.0
137.05986	54.7
141.74622	3.8
147.08070	3.7
149.09674	11.8
151.07556	35.9
161.06026	4.2
161.09624	9.6
163.07562	66.9
175.07579	27.0
177.09126	73.2
189.09169	15.8
191.10674	6.5
199.90141	3.1
226.64571	3.6
231.13808	74.2
233.15385	34.2
249.14864	33.1
251.16518	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	516.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.01860	0.8
55.05507	1.2
57.07063	1.1
67.05490	3.3
69.03419	1.0
69.07061	1.6
71.50758	0.8
79.05499	29.7
81.03446	1.0
81.07064	7.2
87.04476	1.1
91.05476	1.5
93.07046	1.6
94.04208	0.9
95.04964	2.9
95.08597	2.4
96.05753	2.5
97.06509	1.5
105.04540	1.3
106.04179	4.5
107.04964	9.9
109.06535	4.0
111.04488	1.0
111.08094	15.6
121.06504	6.5
124.49388	0.8
135.04384	2.0
137.06003	2.3
139.03908	1.6
139.07549	19.8
149.06004	10.1
167.07056	100.0
168.07384	1.0
185.08113	1.0
516.37805	2.1
517.38165	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.6
57.03430	2.0
57.07074	2.0
63.66079	1.8
67.05505	4.7
69.03432	6.0
69.07066	2.8
70.30183	6.1
70.30547	2.5
79.05494	6.6
81.03424	2.4
81.07062	17.4
81.13308	1.7
83.04984	4.8
85.02895	8.0
87.00839	2.4
89.67648	1.8
91.05477	8.4
93.07040	11.0
95.08620	8.6
97.02901	3.5
97.06521	2.6
99.04470	2.8
103.78275	1.8
105.01855	6.0
105.07023	19.3
107.08620	9.5
109.02887	5.1
109.06525	2.9
115.05415	2.0
117.07025	14.1
119.08592	23.1
121.06492	4.1
121.10130	6.1
123.08131	2.1
127.03927	7.5
129.07024	3.4
130.07816	2.1
131.08577	29.3
132.08897	3.0
133.10191	2.6
136.06187	34.6
137.06523	2.9
139.07579	2.1
142.07782	6.1
143.08659	3.1
144.09357	4.4
145.04944	2.5
145.10133	20.9
153.09073	3.7
157.10132	27.3
159.11705	100.0
164.83977	2.0
177.09152	6.9
185.13045	2.0
187.14848	26.7
191.10695	5.7
197.13220	2.1
205.15987	4.1
215.14322	6.1
222.53845	2.4
231.04980	2.7
233.15393	46.3
250.25331	8.9
360.95685	1.9
445.18323	3.1
499.25919	1.9
516.24152	14.5
516.31195	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	516.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81255	3.6
67.05502	11.1
68.13422	4.4
68.13783	4.0
69.03432	5.8
70.21637	4.4
70.21977	15.0
71.04999	35.8
71.28320	3.9
79.05518	5.4
79.09608	3.6
81.07046	9.7
91.05496	6.8
93.07058	6.5
95.08607	8.7
98.88747	4.3
105.07058	4.6
107.08585	15.8
109.06528	3.9
109.10158	7.9
109.28084	4.3
113.00076	6.7
115.05540	4.2
117.07027	5.9
121.06499	7.8
127.11194	100.0
128.99474	3.9
131.08604	5.0
135.08060	12.5
137.05983	50.6
149.09621	8.2
151.03952	4.9
151.07553	33.4
151.54074	4.3
156.41817	4.8
161.09607	10.6
162.06805	4.6
163.07541	49.6
173.09624	4.7
175.07619	29.1
177.09131	65.3
189.09132	17.8
191.10721	7.0
231.13826	77.6
233.15392	35.2
241.67409	3.9
249.14865	30.3
251.16412	14.0
309.54199	4.8
332.20352	3.9
398.52844	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	516.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.01862	4.0
55.05537	1.8
57.03425	4.8
61.02913	2.4
67.05483	2.4
69.03440	17.9
69.03803	2.6
69.82035	7.3
69.82452	3.4
71.04995	24.9
73.02902	2.9
79.05472	1.9
81.03429	15.1
85.02908	44.1
87.00845	15.9
91.05481	2.0
94.69141	1.8
97.02903	16.9
98.20824	2.9
99.04469	5.7
105.01886	16.8
109.02904	10.1
109.10182	2.9
117.01908	2.3
117.06970	2.1
124.52013	1.7
127.03922	25.7
127.11201	100.0
137.05991	3.8
145.04929	9.4
149.09573	2.1
151.07578	6.9
159.02917	5.2
159.11742	2.3
177.09145	10.5
191.10603	2.7
215.14360	2.2
231.05000	6.5
233.15395	18.9
251.16454	32.5
257.15384	3.8
275.16541	2.4
317.17114	2.6
341.17422	4.3
516.59320	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67180	0.8
53.03946	2.7
55.01873	2.1
55.05508	1.9
55.57819	0.9
57.03453	1.3
61.02913	1.5
67.05492	1.9
68.99816	1.1
69.03434	7.3
69.07089	1.0
69.24203	8.4
71.05003	24.2
73.02908	2.3
81.03420	8.0
81.07077	1.5
85.02911	20.7
87.00842	9.8
87.04469	3.3
91.05479	1.0
95.08612	1.7
97.02888	9.2
99.04469	2.7
105.01859	7.0
107.08609	0.9
109.02887	7.4
109.10154	2.3
117.01797	1.2
117.07050	1.7
119.08575	1.4
121.06493	2.4
127.03940	12.7
127.11202	100.0
129.01830	1.0
129.07008	0.8
131.08632	2.1
136.06198	2.2
137.05959	4.3
145.04944	5.5
145.10143	1.5
149.09599	2.1
151.07549	3.1
157.10173	1.8
159.02890	3.9
159.11713	5.2
163.07591	1.1
173.09630	1.4
177.09123	8.4
187.14931	1.2
191.10626	1.2
215.14346	0.9
231.04967	3.0
233.15366	13.9
233.17502	1.4
250.25369	4.5
251.16449	49.6
268.26282	1.8
275.16391	1.9
281.37436	1.0
317.17377	1.6
341.17566	2.2
493.87552	0.9
516.23816	1.5
516.31305	2.2
532.34784	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83321	4.0
53.03934	7.6
55.01862	9.8
55.05503	14.7
55.19191	3.4
57.03422	4.4
59.96482	4.2
61.02929	5.5
67.05493	9.6
69.03436	34.8
69.93296	20.2
70.06640	4.3
71.05005	6.0
72.04512	14.4
72.48080	3.6
79.05498	6.2
81.03407	25.6
81.07055	12.1
83.05000	14.2
85.02910	73.7
87.00845	23.0
90.05555	6.6
91.05495	8.9
93.07089	4.4
95.04968	5.8
95.08591	9.4
97.02895	28.6
99.04460	10.5
103.03963	4.0
104.07122	5.0
105.01871	17.0
105.07014	11.8
107.04959	14.5
109.02913	19.7
109.03520	3.8
109.06551	7.0
109.10142	8.7
114.05508	6.3
117.07019	5.2
118.05079	19.1
118.11179	3.9
121.06511	30.3
123.08075	9.1
127.03936	39.1
129.01799	5.1
131.08566	6.2
135.08043	6.5
137.05980	49.1
145.04974	16.6
145.10081	7.4
149.09636	19.8
151.07552	81.6
155.08556	8.2
157.10126	5.4
159.02898	16.2
159.08044	5.5
161.06003	8.7
161.09584	6.7
162.06773	4.0
163.07521	11.7
163.11142	5.2
169.10162	4.0
173.09642	17.8
175.07571	14.0
177.09120	100.0
185.09560	4.8
187.07498	4.9
187.11198	4.5
189.03954	4.7
189.09131	10.2
191.10654	56.8
201.09146	13.2
213.09169	6.1
215.10641	8.6
215.14134	5.8
217.12283	10.8
229.12296	13.9
231.05208	7.8
231.13873	5.5
233.15361	94.9
241.08676	5.4
245.15381	7.8
257.15451	34.4
271.16782	4.9
299.16400	11.0
323.16412	17.6
341.17529	13.5
348.13919	5.1
366.15430	4.9
372.31866	4.2
445.18555	8.0
447.31708	4.1
466.20660	12.6
498.23611	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	515.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	1.1
53.03939	5.0
55.01879	1.9
55.05516	16.6
57.03438	5.2
57.07072	1.3
65.03937	3.4
67.05509	48.2
69.07079	15.0
69.76597	1.0
71.01347	1.6
71.04996	2.6
71.52377	1.1
77.03931	1.7
79.05497	41.8
81.03407	1.8
81.07060	33.9
83.04990	5.5
83.08624	6.2
85.06553	3.5
91.05484	25.4
91.59317	1.1
93.07047	48.5
95.04983	4.6
95.08611	23.0
97.06526	5.3
97.10159	5.4
99.08121	2.6
105.04562	1.2
105.07034	19.8
107.05003	1.2
107.08600	27.6
107.65443	1.2
108.08834	1.0
109.06519	1.7
109.10159	9.7
111.08056	1.1
117.07033	11.7
119.08590	15.0
121.10151	16.2
123.11683	1.6
128.06258	1.4
129.07031	4.0
130.07780	1.3
131.08577	14.7
133.10135	11.3
134.10478	1.6
135.08002	1.1
135.11702	31.5
142.07693	1.1
143.08551	6.9
144.76245	1.1
145.10136	15.9
147.11702	7.3
149.13332	4.2
151.11267	1.4
155.08624	4.1
157.10162	6.5
159.11702	8.4
161.13298	3.8
163.11230	2.8
164.53613	1.0
168.98712	1.1
169.10138	2.7
171.11684	5.0
173.13269	7.8
175.14845	2.4
181.10146	1.8
181.12289	3.2
183.11728	3.7
185.13289	4.3
187.14909	2.7
193.60812	1.0
195.11760	1.6
197.13322	3.2
199.14838	3.6
201.16364	1.2
209.13229	1.3
211.14896	1.7
224.31967	1.0
225.16289	1.1
227.18158	1.1
237.16510	2.3
243.21072	1.5
261.22229	4.0
282.95642	1.1
299.23825	1.4
303.69272	1.2
313.25632	1.1
374.15118	1.7
405.31479	2.3
423.32791	8.4
441.33615	2.7
497.36200	4.4
515.37347	100.0
516.37531	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	515.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	1.4
53.03945	4.4
55.01856	1.4
55.05515	15.9
57.03446	6.3
57.07065	3.1
58.66013	1.4
65.03914	2.1
67.05509	55.6
68.25889	1.2
69.07077	14.1
69.26611	10.1
69.27017	1.9
71.01358	2.1
71.04983	2.7
79.05495	47.1
79.42628	1.3
81.03435	3.0
81.07059	41.0
83.04971	4.7
83.08624	6.3
85.06568	2.8
91.05487	28.8
91.10163	1.1
93.07052	48.6
95.04988	6.0
95.08613	24.2
97.06559	7.8
97.10199	6.6
99.08064	2.0
105.04509	1.8
105.07036	17.4
107.08600	28.9
109.10148	9.1
117.07033	12.7
117.07779	1.9
119.08591	16.2
121.06518	1.5
121.10149	15.4
121.26899	1.1
123.11687	1.7
128.06187	1.3
129.07024	3.9
131.08589	13.9
133.10144	12.1
135.11697	31.7
141.07077	1.7
143.08563	7.9
145.10117	16.6
147.11745	6.2
149.09605	1.7
149.13293	3.3
150.77948	1.2
155.08617	2.2
157.10155	5.2
159.11707	9.9
161.13258	2.9
163.11224	3.6
169.10187	2.6
171.11705	5.3
173.13284	5.3
175.14856	1.4
181.12314	3.6
183.11731	2.9
185.13306	4.6
187.14870	2.2
197.13321	3.0
199.14874	2.4
201.16443	1.6
243.21091	1.8
261.22189	4.5
279.99048	1.5
285.21924	1.5
317.24774	1.8
405.31662	2.5
423.32602	8.9
441.33643	3.0
459.34891	1.9
497.36392	4.0
515.37384	100.0
516.37427	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	25.8
57.03424	13.2
67.05513	88.3
69.03432	17.4
69.07072	27.5
71.04998	18.1
73.02911	7.4
79.05493	63.1
81.03419	14.8
81.07063	100.0
81.56178	6.4
83.04961	7.1
83.08656	10.1
85.02924	13.4
91.05466	46.3
91.91017	6.1
93.07058	59.2
93.34462	6.2
95.04978	9.2
95.08617	76.8
97.06548	11.1
97.10207	8.6
105.07047	44.6
107.08610	46.9
109.06513	13.5
109.10162	37.9
111.08089	8.0
117.07010	20.9
119.08578	29.8
121.06531	10.1
121.10142	35.9
123.11704	17.4
127.11192	15.1
128.11525	7.6
129.07054	9.0
131.08601	35.8
133.10143	25.8
135.08113	10.8
135.11710	25.7
137.05966	9.5
137.09669	8.3
141.06970	7.6
143.08559	11.9
145.10135	28.7
147.11652	17.2
149.13304	17.1
155.08560	8.1
157.10120	9.7
159.11728	17.7
161.05937	15.2
161.13251	8.1
163.07538	8.5
163.14845	13.0
169.10098	7.8
171.11777	9.9
172.82886	6.8
173.09669	9.3
173.13297	24.3
175.07506	20.4
176.07835	11.5
185.13310	10.9
185.38791	6.1
187.14836	12.0
187.59822	6.4
188.22859	6.5
231.13554	7.3
243.21117	10.0
247.13324	27.0
248.13754	17.6
261.22183	58.2
273.22214	7.3
301.21698	13.8
335.25928	10.1
345.24213	14.6
347.59326	6.7
353.26779	15.5
369.24304	12.8
405.26230	9.5
479.29666	10.2
497.30933	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	515.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.1
53.62708	3.2
54.63019	2.8
55.01889	3.5
55.05518	19.0
57.03436	11.0
57.07074	8.1
60.22611	2.7
61.02937	6.1
65.03956	4.3
67.05516	92.9
67.05869	3.4
69.03429	8.4
69.07072	19.1
69.31476	20.1
69.31882	5.8
71.04999	6.2
79.05501	63.7
81.03424	7.7
81.07071	100.0
83.04976	6.0
83.08617	9.6
85.02888	6.6
85.21333	2.8
91.05491	44.5
93.07055	76.4
94.47922	3.8
95.04933	3.6
95.08627	76.4
97.02876	7.4
97.06529	5.2
97.10192	3.2
99.05975	3.3
99.08083	4.5
105.07036	37.1
107.08614	48.0
109.06554	5.4
109.10165	39.9
111.08074	3.4
117.07031	18.6
119.08598	28.5
121.06563	4.3
121.10167	42.1
123.08073	3.9
123.11722	16.6
127.11188	3.3
129.07024	4.8
131.08578	32.2
133.10158	16.8
135.08086	3.7
135.11719	33.2
137.13264	8.7
143.08623	5.8
145.10126	20.5
147.11749	18.6
149.13263	23.4
151.11186	4.3
157.10046	4.9
159.11710	19.5
161.13278	13.7
163.14806	15.2
173.13268	18.2
175.14784	5.1
177.16379	3.2
187.14844	11.5
188.25519	2.9
201.16354	3.6
233.22650	3.3
243.21124	25.8
261.22177	84.3
285.22198	3.8
317.24725	3.2
335.25842	12.7
345.24286	6.1
353.26953	14.7
369.24304	7.1
387.25607	3.5
393.03976	3.0
433.61563	3.2
442.45627	3.3
443.27902	3.4
515.37720	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	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.05509	20.5
57.01960	3.1
57.03440	7.8
57.07087	4.8
61.02933	4.1
67.05510	92.4
69.03418	9.2
69.07069	19.8
70.76253	5.7
70.76603	7.4
73.02937	4.5
73.46955	3.5
79.05505	56.6
81.03428	6.1
81.07066	100.0
82.75642	3.3
83.04977	8.6
83.08627	13.1
85.02908	8.4
85.06541	4.6
86.12984	3.2
91.05489	35.0
93.06483	6.0
93.07050	74.4
95.04953	9.1
95.08610	65.1
97.02912	6.6
105.07043	31.3
107.08595	37.5
109.06509	5.5
109.10149	43.3
112.78601	3.1
117.07026	15.6
119.08582	35.2
121.10151	39.6
123.08132	6.9
123.11720	18.0
129.07013	4.6
131.08574	28.4
133.10161	19.2
135.08067	5.4
135.11691	31.0
137.13268	6.1
143.08487	3.5
145.10124	20.5
147.11703	14.2
149.13266	22.2
157.10094	6.3
159.11696	20.6
161.13332	9.5
163.14854	10.5
165.12852	3.6
169.10170	4.1
171.11678	5.8
173.13358	17.3
177.16342	5.0
187.07593	3.9
187.14896	11.5
219.17418	4.1
243.21179	21.2
261.22189	64.9
264.06262	3.6
276.16595	3.8
276.20062	3.5
279.23270	6.4
317.25232	4.0
335.25830	24.4
345.24313	7.0
353.26938	11.6
369.24390	4.8
443.28308	4.4
497.31216	4.9
515.37347	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.9
67.05506	3.0
68.05836	0.4
69.07061	0.8
69.20141	4.3
71.04980	0.6
73.75021	0.5
79.05476	1.7
81.07042	2.0
83.04978	0.9
83.08620	0.5
91.05463	1.5
93.07054	2.2
95.08614	2.2
105.07037	1.5
105.47523	0.4
107.08569	1.1
109.10153	3.0
119.08579	1.2
121.10149	1.0
124.25197	0.4
127.11173	0.7
129.07004	0.6
131.08588	0.9
133.10129	0.7
135.11699	1.6
143.08603	0.6
145.10121	1.3
159.11647	0.5
171.11636	0.6
183.11603	0.5
185.04236	0.5
195.51872	0.4
257.26706	0.4
276.06277	0.4
326.21664	0.5
333.38763	0.4
423.32626	0.5
436.77542	0.4
515.31891	100.0
516.32129	2.5
538.26019	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86712	5.2
54.67503	5.4
56.46105	6.0
60.81244	6.6
66.83567	5.6
67.05496	20.2
67.66055	7.6
69.03432	12.8
69.07069	18.6
71.05000	56.0
78.88019	7.4
79.05492	14.3
80.49354	5.7
81.07053	26.5
83.04997	10.4
83.08597	8.9
91.05479	12.3
93.07067	15.3
95.08602	16.7
97.06577	9.5
98.20728	15.6
105.07030	20.0
107.08603	23.7
109.06548	9.1
109.10157	27.6
119.08580	16.8
121.06554	8.2
121.10172	19.2
125.09634	8.1
127.11208	100.0
128.06230	10.8
131.08586	10.9
133.10132	7.3
135.08061	13.4
135.11772	13.2
137.05998	16.4
137.09619	8.5
145.10103	15.6
147.08031	9.6
149.09692	12.9
151.07567	15.4
157.10135	14.6
159.08064	12.9
159.11717	13.0
161.05968	16.3
161.09601	9.1
163.07547	13.9
170.10828	7.4
171.11722	6.5
173.09680	13.5
175.07591	37.3
175.11224	25.8
177.09160	12.5
181.10020	8.1
183.11707	10.3
185.09657	9.9
187.11218	19.4
188.08267	9.1
189.09180	9.4
189.12785	6.4
201.09190	20.1
201.12764	14.6
202.09875	8.0
203.10689	27.7
203.14369	7.4
209.13312	10.7
213.09093	6.7
215.10803	6.7
223.11159	7.0
229.12215	24.8
229.15936	10.3
231.13939	13.6
247.13376	28.3
255.10641	8.9
257.15491	8.4
265.15820	9.2
281.15051	7.7
311.20068	6.5
393.20703	15.0
395.29391	6.7
405.27841	9.6
415.26233	10.2
433.27539	43.1
451.28543	13.3
461.26773	37.1
479.28033	96.3
480.27853	8.7
497.28940	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.301
Annotation	fijianolide A
Peak:m/z	Relative Intensity
53.48183	2.9
55.05498	7.0
56.46707	2.7
57.07069	2.4
59.05005	3.7
67.05510	14.5
69.03424	10.4
69.07063	10.9
69.26635	25.4
71.04993	15.8
71.65201	3.0
79.05497	12.5
79.56964	2.8
81.07076	15.3
81.45565	2.6
83.04991	5.1
83.08598	2.7
85.06533	4.1
91.05475	10.1
93.07050	8.9
95.04961	3.6
95.08601	10.4
98.21559	6.1
98.28188	2.7
99.08113	4.2
105.07019	14.9
107.04965	7.4
107.08596	46.8
109.06513	7.4
109.10149	18.6
114.29321	2.7
114.38742	2.9
119.08601	11.7
121.06495	13.2
121.10144	9.8
123.04430	3.6
123.08067	4.6
125.06013	6.3
125.09626	51.3
127.11190	15.7
131.08549	9.7
133.06429	4.2
133.10146	8.6
135.04578	2.8
135.08041	20.2
137.06006	35.5
138.06236	2.8
143.08595	5.6
145.06535	5.0
145.10121	5.3
147.08058	9.5
149.06062	4.7
149.09642	10.8
151.07567	20.9
152.08304	2.9
157.10129	3.4
159.08086	6.9
159.11722	4.3
161.06001	21.6
161.09671	24.6
163.07558	69.9
163.11156	3.7
165.09177	5.0
175.07553	39.1
175.11177	5.0
177.09091	34.0
179.10687	4.3
182.95909	2.6
185.13271	3.5
189.09126	13.5
189.12733	4.2
191.10701	5.2
203.14301	7.6
213.12808	5.6
215.10738	2.8
216.11481	9.2
219.13930	3.0
229.12222	7.9
231.13815	100.0
232.14249	4.9
247.13388	6.3
249.14876	55.0
316.58383	3.5
411.21924	7.0
429.22910	3.5
461.26532	5.7
479.27939	32.0
480.28336	3.9
497.28995	85.8
498.29681	2.8
515.30090	96.0
515.36902	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	515.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.8
59.04985	1.5
67.05504	3.3
69.03437	6.1
69.07049	1.7
70.06574	1.6
71.06915	1.1
71.49818	2.0
79.05508	2.4
81.07054	4.1
81.95467	1.2
83.01347	1.9
85.02908	3.9
85.06547	2.1
86.09717	1.7
91.05493	1.4
93.07047	1.5
95.08605	6.9
97.02925	1.7
97.10157	1.5
100.11265	3.2
103.64466	1.2
105.07031	3.8
107.08607	5.7
109.06527	1.8
109.10185	1.4
114.04034	1.2
119.08542	2.9
121.06508	8.0
123.08079	2.9
125.09647	8.6
129.07007	1.6
133.06488	3.1
133.10170	3.3
135.08092	2.1
137.05991	29.2
143.08575	2.9
143.10672	3.3
145.10155	4.1
149.06006	4.7
149.09625	2.6
151.07552	41.9
152.07907	1.5
161.05981	2.9
161.09575	3.3
162.06734	2.0
163.07559	6.9
163.11168	3.7
165.09036	1.8
171.08002	1.3
173.09631	2.7
174.06747	1.9
175.07564	19.6
175.11183	4.1
176.08345	2.5
177.09137	9.0
185.13361	1.5
188.08458	2.2
189.09105	9.6
191.10683	100.0
192.10938	2.1
193.12222	1.6
203.10715	1.3
203.14307	3.7
213.12798	1.8
219.13921	1.5
221.15428	1.4
224.75589	1.3
231.13812	33.3
235.83458	1.3
249.14868	17.3
251.89380	1.3
295.92487	1.1
301.53943	1.1
332.97159	1.3
338.46744	1.2
438.13022	1.4
493.97934	1.2
515.37994	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	515.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72709	3.7
53.03941	6.1
56.78989	4.1
57.03428	8.9
61.02901	11.1
67.05503	8.2
69.03434	44.4
71.04990	8.7
71.51196	4.4
73.02897	4.9
79.05492	6.1
81.03432	25.9
81.07036	5.0
85.02440	7.6
85.02912	100.0
86.09674	3.5
87.00841	68.4
87.30522	3.5
91.05456	9.9
93.07036	9.4
95.08602	14.1
97.02898	29.8
99.04451	14.2
105.01875	94.3
105.07062	19.3
105.15144	3.9
107.08610	10.1
109.02887	25.4
117.07028	5.3
119.08591	12.9
127.03933	61.7
131.08621	8.6
133.10127	13.0
135.08063	6.5
142.07837	6.0
143.08524	6.9
145.04965	22.6
145.10109	11.4
157.10123	17.9
161.09596	6.5
164.10689	7.0
165.11127	4.4
175.11131	12.4
185.13292	8.5
192.10133	4.4
193.10474	5.0
196.85291	4.4
203.14352	7.0
231.05035	20.1
231.13858	5.8
238.99556	3.6
249.14780	7.0
267.12042	19.9
279.49008	3.9
314.12415	5.2
323.12610	6.2
324.12689	7.3
515.16797	11.6
515.22919	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	515.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.05508	2.7
57.03446	2.5
64.22838	2.1
67.05505	5.2
69.03430	15.2
69.07089	2.4
70.06590	6.8
71.50259	4.6
72.02586	2.0
72.08154	3.3
79.05500	3.6
81.03424	7.5
81.07048	5.5
84.08113	2.5
85.02899	21.6
85.06548	4.1
86.09686	4.1
87.00825	8.2
91.05498	2.5
93.07060	3.1
95.04967	3.7
95.08614	3.8
97.02890	8.4
97.06543	3.3
105.01858	8.2
105.07046	5.8
107.08594	6.1
109.02883	6.5
109.10149	2.1
117.07070	2.4
119.08531	3.3
120.13075	2.0
121.06512	9.0
125.09619	4.0
127.03941	14.4
129.06996	2.4
135.08052	4.6
137.05974	11.2
145.04927	3.2
145.06546	2.3
145.10123	6.3
149.06001	2.7
149.09700	3.3
151.07565	29.4
152.08057	2.8
153.25471	2.3
161.05965	4.5
161.09659	3.3
163.07538	7.3
163.11200	7.0
173.09625	4.3
174.06790	3.1
175.07565	19.1
176.08432	2.7
177.09109	9.3
189.09093	8.2
191.10692	100.0
192.11026	2.9
215.10764	6.4
217.08691	2.6
231.13805	27.7
233.11725	3.2
249.14859	18.2
257.11670	2.9
295.06229	2.5
323.05606	3.4
337.86145	2.3
383.11154	5.0
515.19440	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.2
55.05510	3.9
59.51974	2.2
69.03419	10.0
69.37341	6.9
69.37759	12.0
79.05499	4.3
81.03455	5.8
81.07037	3.4
85.02911	17.3
85.06528	2.6
87.00838	9.2
91.04655	2.4
93.07053	2.8
95.08578	5.2
97.02895	7.5
98.35771	2.4
105.01865	5.7
109.02890	5.9
113.88066	2.4
121.06516	9.3
125.09646	4.4
127.03936	13.1
135.08095	3.5
137.05989	12.7
141.07410	2.5
143.10701	3.3
143.70712	2.3
145.04962	3.2
145.10126	4.1
147.08049	3.2
149.06029	4.9
149.09637	3.3
151.07573	29.0
152.08038	3.0
159.02969	3.3
161.05998	4.7
163.07576	7.4
163.11226	7.1
175.07550	18.1
176.08350	4.3
177.09123	8.4
189.09131	8.5
191.10675	100.0
215.10674	6.3
229.12274	5.0
231.13815	26.2
247.75352	2.5
249.14871	19.6
267.15677	3.3
455.18921	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
57.71784	0.6
67.07623	0.7
69.07071	0.7
71.02723	0.5
79.05495	0.7
83.05032	0.6
93.07032	1.1
98.20735	1.4
112.83498	0.6
137.85065	0.6
145.10219	0.6
158.35892	0.5
173.04260	0.8
251.12595	5.4
321.16779	1.9
329.36005	0.6
337.16138	5.3
365.15689	6.0
383.16754	12.3
398.76419	0.7
423.20139	0.9
451.19751	1.0
453.21017	3.0
469.20523	2.5
479.19205	1.9
492.89798	0.7
497.20016	17.3
515.21021	100.0
516.21350	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	515.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77902	1.4
55.04678	1.2
56.14432	1.0
56.96550	4.9
57.99608	1.1
69.03417	2.2
70.45205	3.7
82.99854	2.8
85.02892	1.9
97.02866	1.7
98.97578	9.3
101.00890	14.5
103.02399	1.4
108.11047	1.2
109.77821	1.4
110.97548	2.4
113.00862	5.0
116.57634	1.2
116.98604	2.9
118.08617	1.3
119.01914	16.5
127.02425	13.0
128.98610	3.3
131.01920	7.4
131.04927	2.3
132.34564	1.0
133.03494	1.4
139.02394	1.5
140.98547	1.3
141.17581	1.1
142.52452	1.4
143.00188	1.4
143.01901	19.3
145.03476	38.7
146.99643	1.5
153.04070	1.3
155.01897	16.9
157.03452	12.1
158.99629	2.8
161.01338	1.5
161.01605	1.8
161.02954	14.7
163.03874	1.8
167.01927	12.2
169.03456	4.4
170.99622	1.8
171.05031	2.8
172.97556	2.3
173.02983	25.7
175.04576	3.6
179.01910	3.1
182.99727	2.2
185.02977	32.0
187.04509	4.8
190.98607	3.0
191.02425	1.7
191.04047	20.4
197.02957	13.2
199.04541	1.9
201.00760	5.4
203.02240	2.1
203.04004	10.9
208.99748	3.2
209.02957	3.4
215.04034	7.3
219.01775	5.6
221.02956	11.9
221.05075	5.4
227.03992	8.5
229.05638	2.7
232.99684	3.0
233.05098	20.8
237.00638	2.6
237.02750	2.8
245.05086	100.0
246.05142	2.3
247.04541	2.7
247.06895	1.9
251.06152	4.1
257.05093	7.3
261.02863	4.9
263.03738	1.5
263.06171	16.7
275.06158	23.2
279.04010	2.4
287.06290	1.6
293.07269	9.0
305.07227	15.7
317.07132	3.4
321.04709	2.4
335.08298	12.7
347.05920	3.2
353.03629	2.6
353.07706	1.5
365.09442	25.0
383.08371	5.5
428.98004	1.3
515.08850	3.8
515.15411	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	514.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13428	4.1
55.05518	8.1
57.05841	4.4
63.63714	4.5
63.70518	5.0
67.05500	12.5
69.07063	9.3
70.75319	11.3
71.04987	46.7
73.01424	5.2
85.06538	5.9
91.05479	8.6
93.69012	4.4
95.08657	5.2
105.07044	11.6
107.08595	16.7
109.10166	13.5
119.08593	9.6
121.06522	5.5
125.09681	13.9
127.11206	52.7
131.08546	7.9
135.08057	20.0
137.06012	24.1
145.06555	4.9
147.08047	7.8
149.09648	6.6
151.07542	26.7
154.25827	5.1
159.08031	11.4
161.05988	40.1
163.07552	74.7
174.06772	8.2
175.07555	100.0
177.09152	31.7
189.09065	6.3
203.10640	6.2
211.11221	5.6
229.12291	29.6
231.13820	29.2
247.13278	97.3
248.13705	8.2
249.14894	12.4
253.25053	5.8
333.90698	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	514.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.4
66.90931	4.7
67.05505	14.6
69.07072	8.2
69.58727	11.4
69.59132	18.7
71.04998	39.3
71.42912	5.3
79.05500	11.8
81.07040	12.4
83.08643	7.1
91.05513	11.4
92.52824	4.7
93.07045	8.1
95.08611	13.2
105.07048	9.8
107.08587	33.4
109.06526	6.9
109.10166	25.2
113.61612	5.1
117.07047	6.6
119.08566	5.9
121.06521	11.4
125.09638	27.2
127.11210	42.9
135.08080	32.7
137.05995	50.9
145.06451	9.3
145.10114	6.2
149.09673	7.5
151.07553	53.6
159.08122	6.9
161.06006	35.6
161.09659	18.2
163.07556	100.0
164.08363	11.3
175.07602	45.4
177.09120	40.1
189.09126	20.3
203.14304	7.3
229.12279	11.7
231.13811	97.5
231.15952	8.5
233.15086	5.6
247.13385	13.6
249.14882	32.7
250.15677	15.1
435.99670	5.1
444.02710	6.4
479.28015	19.2
497.28976	19.5
515.30341	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	514.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00621	2.3
52.69513	2.4
55.05502	12.0
57.03440	5.8
58.95588	2.9
67.05496	9.8
69.03416	5.9
69.07042	3.3
70.06587	6.6
71.50162	4.6
79.05501	10.3
80.67532	2.6
81.03425	100.0
81.07050	12.0
83.04971	11.7
83.08633	21.6
85.02896	8.6
87.04504	3.5
91.05482	15.5
93.07047	6.2
95.04963	31.0
95.08593	6.4
97.02859	3.7
97.06521	3.5
98.06073	5.8
105.07035	8.3
107.04926	7.0
109.06502	3.2
111.04433	4.2
111.08097	10.6
116.27698	2.9
119.08560	9.0
120.08089	6.1
121.06542	4.4
121.10120	3.9
129.07045	8.8
131.08591	6.2
133.06436	3.2
133.10129	3.8
145.10213	3.0
147.08072	5.9
147.11670	9.4
149.09630	8.0
157.10114	13.3
165.12787	3.6
175.11188	18.2
193.12262	80.7
211.13278	9.0
267.15933	38.4
285.16974	92.6
309.16992	7.7
313.11951	5.1
373.14117	9.8
396.20267	10.1
514.17035	5.1
535.30481	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28307	0.3
53.03938	1.3
55.01860	0.5
55.05515	21.9
66.45321	0.3
67.05499	1.2
69.03430	3.8
70.36011	1.0
70.36356	0.4
79.05499	2.1
81.03403	0.5
81.07052	1.2
83.04987	27.8
91.05490	3.7
93.07032	1.1
94.04029	0.3
95.04975	3.6
97.02885	1.7
97.06554	0.5
103.05484	0.9
105.07055	2.5
107.04949	0.9
109.06541	0.6
115.03951	0.7
115.05487	1.3
117.07045	2.8
119.03550	1.6
119.04907	0.6
119.08583	1.8
121.06497	1.4
125.06017	0.4
128.06248	2.1
129.07019	3.8
131.04921	0.5
131.08582	1.9
133.06499	1.0
135.04457	0.4
135.08028	0.4
136.06194	100.0
137.04614	1.0
137.05844	0.6
137.09554	0.3
141.07011	3.0
142.07780	1.3
143.08548	3.9
145.06482	1.9
145.10146	1.6
147.08031	1.6
149.05954	0.4
152.06219	0.6
153.07019	1.3
154.07771	3.4
155.06042	0.5
155.08588	3.1
156.09286	0.5
157.06538	0.9
157.10172	1.1
158.07193	0.5
159.08061	1.3
159.11670	0.7
161.05933	0.5
161.09618	0.7
162.07822	0.4
165.05486	0.4
165.07028	0.7
166.07790	0.4
167.08575	3.2
168.05510	0.3
169.06500	0.5
169.10133	5.4
171.08043	2.2
171.11713	0.8
173.06017	0.6
173.09676	1.6
178.07761	0.5
179.08554	2.2
181.06494	0.4
182.07303	0.9
183.08055	0.9
185.09671	2.1
187.07521	0.4
187.11212	1.2
189.09134	0.5
197.09633	6.0
199.11267	0.4
201.09142	1.1
213.09171	1.6
215.10649	3.6
225.09129	2.4
231.10226	1.2
243.10179	5.9
261.11230	8.3
279.12332	1.0
348.14856	0.6
361.16434	0.7
366.16098	0.4
378.15747	0.7
384.16641	1.0
396.16739	3.3
414.17734	19.7
432.18741	1.1
496.21863	1.1
514.23016	49.3
515.23077	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68470	0.3
53.03943	1.0
55.01869	0.8
55.05518	22.8
58.68941	0.2
60.03553	0.2
65.03927	0.5
67.05513	1.5
69.03439	4.3
69.59335	1.6
71.04962	0.3
77.92760	0.2
79.05501	2.2
81.03436	0.4
81.07055	1.8
83.04990	27.0
85.02919	0.5
91.05492	4.4
93.07043	1.4
94.04059	0.4
95.04977	3.7
97.02894	1.8
97.06536	0.7
98.20847	0.4
103.05470	1.3
105.07052	3.1
107.04958	1.2
109.06538	0.8
111.04444	0.3
115.03925	0.7
115.05482	1.3
116.06266	0.4
117.07024	2.6
119.03559	2.0
119.04922	0.5
119.08598	2.1
121.06539	1.2
123.04421	0.3
125.06000	0.7
128.06252	2.8
129.07014	3.5
130.07780	0.5
131.04939	0.7
131.08591	2.0
133.06505	0.9
135.04396	0.7
136.06200	100.0
137.04576	0.8
137.06596	0.4
137.09604	0.3
141.07008	3.7
142.07759	1.4
143.08592	4.0
144.05711	0.3
145.06503	2.1
145.10129	1.9
146.07327	0.3
147.04436	0.5
147.08073	1.6
149.06013	0.7
151.07607	0.4
152.06230	0.7
153.05453	0.3
153.07018	1.7
154.07776	3.8
155.06061	0.3
155.08562	3.2
156.09309	0.6
157.06476	1.3
157.10165	1.4
158.07230	0.5
159.04459	0.3
159.08047	1.6
159.11679	0.7
161.06021	0.5
161.09674	0.7
162.07771	0.7
163.07607	0.4
165.05469	0.7
165.07030	1.2
165.09193	0.4
166.07787	0.7
167.08583	2.5
169.06522	0.7
169.10133	4.9
171.08070	2.0
171.11752	0.4
173.06049	0.5
173.09641	1.6
175.07463	0.3
178.07835	0.5
179.08575	2.2
181.06497	0.5
181.10127	0.3
182.07323	1.2
183.08078	0.9
184.08797	0.3
185.09590	1.8
187.07544	0.3
187.11229	1.2
189.09117	0.7
191.07004	0.4
191.10660	0.3
195.08163	0.5
197.09624	5.8
199.07506	0.3
199.11185	0.5
201.09108	1.1
205.08807	0.3
213.09090	1.5
215.10693	2.7
218.10393	0.3
225.09135	2.2
231.10179	1.0
233.11757	0.4
243.10197	5.8
261.11243	7.4
261.14026	0.4
279.12347	1.1
361.16528	0.7
366.15518	0.3
378.15659	0.6
384.16666	0.5
396.16742	3.6
414.17755	20.3
415.17899	0.4
432.18988	1.3
496.21616	1.3
499.59149	0.3
514.23029	48.5
515.23492	1.2
525.46362	0.3
527.56525	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2148
Annotation	Zeatin riboside-O-glucoside
Peak:m/z	Relative Intensity
55.01873	0.7
57.03431	1.0
61.02927	1.5
67.05492	1.7
69.03436	5.4
69.45706	4.3
70.06602	4.0
72.08155	1.8
73.02900	1.1
81.03410	2.4
84.08138	0.7
85.02910	11.3
86.09719	1.5
87.04456	1.4
91.03947	0.9
91.05485	0.6
97.02909	3.6
97.74095	0.5
102.05505	0.8
109.02877	2.2
119.03562	1.6
121.05158	0.8
127.03911	3.1
135.06680	1.2
136.06197	100.0
137.04646	0.6
140.06853	1.0
143.11848	0.7
145.04959	1.1
146.04665	0.9
148.06186	3.7
151.07576	0.8
155.39825	0.6
159.06679	3.4
161.05928	0.7
173.08257	1.4
175.09805	1.3
178.07372	0.8
183.28320	0.6
185.08212	13.5
187.08533	0.6
191.10695	0.7
202.10896	23.4
210.67499	0.6
220.11954	63.9
221.12027	0.6
298.11633	0.7
352.16159	5.3
382.17239	62.0
383.17715	1.4
386.32904	0.6
514.21490	21.9
523.66602	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	14.4
57.03437	11.5
58.37461	6.3
61.02924	22.1
67.05511	41.9
69.03450	14.4
69.07071	16.3
70.75360	8.1
70.75717	13.3
71.04979	14.1
72.70410	5.4
78.62643	5.3
79.05491	46.2
81.07063	55.8
83.04993	5.3
83.08649	5.3
85.02890	18.9
85.06542	6.8
91.03970	6.2
91.05492	45.7
93.07057	65.5
95.04976	16.5
95.08623	36.9
97.02882	12.1
97.06510	9.3
105.07040	50.5
106.99454	5.5
107.04984	8.8
107.08593	37.0
109.06513	15.9
109.10138	15.6
113.09641	7.8
117.07040	19.0
119.08585	42.8
121.10159	26.8
123.08067	16.9
125.09644	23.9
127.11188	18.8
129.06999	13.1
131.08571	27.9
133.06546	7.0
133.10124	34.4
135.08025	9.2
135.11739	30.6
136.33043	6.6
137.06009	22.0
143.08553	14.1
145.10121	23.3
147.11705	37.3
149.09583	8.5
149.13293	22.1
149.53319	6.5
151.07530	21.5
157.10106	17.1
159.11720	21.2
161.05974	14.4
161.09622	11.7
161.13248	32.9
163.07594	30.0
169.10127	7.5
170.78619	6.1
171.11699	23.1
173.13280	13.1
175.07584	36.3
175.14806	11.3
177.09109	13.9
185.13303	10.3
187.14732	7.9
189.09048	11.0
199.14888	9.0
223.15234	6.2
229.12347	13.8
231.13850	25.8
241.19501	27.8
247.13368	23.7
249.14865	16.6
259.20544	83.4
349.23770	7.7
351.25296	100.0
390.62546	6.1
441.26282	12.3
451.12311	6.9
477.28052	9.8
495.28149	18.2
513.28418	17.2
529.71747	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	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.9
55.05496	16.9
57.03444	13.4
59.05009	7.3
61.02926	11.6
66.42295	6.7
67.05511	41.5
69.03416	20.4
69.07053	9.6
71.04992	31.9
71.50885	8.1
73.27298	7.2
75.34212	6.8
79.05094	8.5
79.05491	46.5
79.36407	6.5
81.07072	39.8
83.04973	12.2
83.08632	9.4
85.02914	13.1
91.05489	49.2
93.07052	69.4
95.04967	9.2
95.08610	32.5
97.02878	12.0
97.06514	13.2
97.10162	6.6
105.07025	55.8
107.08591	52.2
109.06552	11.4
109.10180	32.4
117.07030	17.0
119.08568	46.1
121.06538	14.1
121.10155	31.6
123.08079	11.5
125.09604	20.4
127.11192	11.8
129.07028	11.7
131.08591	27.5
133.10136	31.1
135.08128	16.3
135.11668	36.5
137.05984	19.2
137.09648	9.2
143.08542	13.2
145.10135	25.6
147.08057	8.3
147.11673	32.6
149.09633	8.8
149.13225	8.3
151.07535	30.3
153.77831	6.6
157.10120	20.5
159.08105	13.8
159.11732	20.2
161.05983	31.5
161.09653	14.6
161.13284	28.1
163.07518	27.5
163.14809	8.0
169.10213	7.6
171.11685	15.0
173.09663	9.6
173.13251	16.5
175.07567	46.3
175.14836	10.5
177.09155	19.9
179.10849	7.5
185.13258	11.9
189.09180	20.2
191.10695	9.2
195.11710	9.5
199.11160	8.3
203.10802	8.8
203.14339	6.5
229.12306	16.6
231.13802	20.3
241.19472	30.3
247.13264	64.3
249.14882	14.3
259.20605	59.5
351.25308	100.0
417.31711	7.3
427.21188	14.2
477.26508	10.9
495.27332	35.8
513.28784	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	513.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	13.7
55.28067	3.2
57.03428	3.9
57.07090	3.4
63.61991	3.7
65.03942	4.6
67.05508	23.1
69.03439	20.2
69.07050	13.1
70.95047	3.7
70.95366	7.8
71.05003	17.5
71.05322	3.2
77.45798	3.3
79.05516	19.1
81.07063	25.2
83.04987	7.9
85.06526	14.0
91.05481	18.6
93.07054	16.9
95.04942	7.9
95.08617	22.1
97.02877	4.8
97.06505	7.0
97.10200	3.9
105.07030	26.8
107.04992	5.0
107.08596	44.4
107.85056	4.1
109.06514	12.1
109.10155	13.0
117.07019	8.4
119.08568	15.6
121.06519	26.1
121.10130	9.7
123.04427	11.5
123.08105	19.6
125.09644	23.4
127.11190	5.8
128.06238	7.2
129.06950	5.5
131.08585	10.8
133.06494	6.9
133.10156	12.7
135.08061	31.9
137.05994	77.1
139.03955	3.9
141.09079	9.0
143.08534	11.6
145.06465	7.8
145.10109	9.9
147.08067	16.6
147.11775	3.9
149.06009	9.8
149.09679	16.0
151.03917	19.0
151.07552	94.8
152.08292	3.9
157.10184	6.1
159.08058	16.6
159.11649	6.2
161.06004	79.1
161.09583	26.7
163.07561	100.0
164.08279	5.8
165.05504	4.2
171.08130	3.7
173.13229	3.8
174.06781	13.5
175.07573	86.2
177.09117	50.4
179.10620	5.3
187.07570	10.6
187.11157	11.1
188.08319	10.0
189.09120	52.9
189.12648	5.8
191.06956	3.9
191.10684	14.9
193.08540	5.9
199.07571	4.5
201.09113	4.3
201.12704	11.6
203.10664	10.9
203.14352	8.1
205.08562	5.4
205.12297	7.0
207.10152	16.8
211.11159	9.1
214.09845	7.0
215.10802	6.1
216.11552	4.2
217.12238	11.9
219.13823	7.2
227.10568	4.3
229.12254	67.6
230.12959	4.8
231.13814	91.3
235.13219	4.0
247.13293	47.3
249.14841	25.1
249.92413	3.9
251.35597	3.8
264.51807	4.3
265.14435	18.2
266.15308	4.0
267.10120	5.9
295.13376	4.3
351.16171	4.1
351.25250	4.3
419.21851	5.8
437.23196	11.2
449.26904	4.7
455.23987	5.0
467.28781	4.1
477.26172	12.2
495.27423	28.5
513.28650	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2852
Annotation	Elegain
Peak:m/z	Relative Intensity
55.05499	3.0
57.07059	1.1
57.19884	1.2
67.05499	2.9
69.03430	3.2
69.07065	3.0
71.04999	4.2
72.20996	1.2
75.93926	1.1
79.05485	3.9
81.07085	6.2
83.04986	2.0
91.05476	5.5
93.07054	5.0
95.04955	2.3
95.08622	4.3
97.06512	1.4
105.07027	5.6
106.93245	1.2
107.08614	8.1
109.06517	3.2
109.10153	3.3
109.96157	1.2
115.05413	1.4
116.98485	2.5
117.06990	1.9
118.97776	1.5
119.08597	5.9
121.06549	2.7
121.10159	4.2
123.08118	1.6
125.09649	4.8
127.11205	2.4
128.98491	2.6
131.00037	9.3
131.08575	4.9
133.10149	3.6
135.08032	9.6
137.05989	3.5
137.09602	2.1
140.98448	3.3
143.00011	8.2
143.08542	2.8
144.18169	1.1
145.10156	5.1
146.99524	2.2
147.08089	2.3
149.09641	2.4
151.07622	2.2
153.02113	1.7
155.08482	1.2
157.01579	1.6
157.10126	3.5
158.10970	3.3
159.08105	7.3
159.11693	5.7
161.05981	2.9
161.09674	3.1
163.07623	3.4
163.11223	2.0
167.00101	1.5
167.03673	1.7
169.01688	1.2
169.10097	1.4
170.99548	3.0
171.11649	2.7
173.09662	3.1
173.13275	20.7
174.10471	1.2
174.99022	10.6
175.07576	7.2
175.11205	2.2
177.09093	5.5
177.12750	5.6
179.08679	1.4
181.10091	1.1
183.11723	3.2
185.01103	7.7
185.09598	2.4
187.07594	1.8
187.11267	3.1
189.00557	18.3
189.09119	2.2
189.12788	1.8
191.10675	1.9
193.10187	1.4
195.11751	2.5
197.01147	1.6
197.09634	1.5
198.70610	1.1
199.02715	2.5
199.11223	3.4
201.12770	4.2
203.02164	5.8
203.81247	1.1
205.12250	2.1
209.09760	1.6
209.13547	1.5
211.11252	2.6
213.12810	2.2
215.10759	2.7
217.03795	1.2
217.12369	1.6
219.13841	3.1
223.11147	1.6
225.12762	2.3
229.12390	2.1
231.13837	1.7
233.13266	2.1
235.14851	3.0
237.12778	2.2
237.16406	3.2
238.76118	1.1
239.10814	1.1
239.14397	1.7
241.12239	1.7
247.13358	4.3
251.14423	1.6
260.12131	1.4
260.15408	1.3
263.17862	1.1
283.06427	1.3
283.17050	1.6
284.06577	1.6
285.03149	2.2
285.06351	43.0
286.06644	1.5
303.17288	1.5
305.15570	1.3
307.16891	1.4
321.18549	1.3
326.09036	2.4
361.21783	1.2
363.19690	1.5
402.21179	1.2
403.26251	2.7
407.22345	1.5
409.20132	1.4
413.24664	1.8
421.27554	1.3
431.25928	6.1
437.23294	1.8
449.26819	5.2
459.25455	4.9
477.26480	13.4
495.27588	16.3
513.28546	100.0
514.28760	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	513.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61650	1.4
55.01870	1.9
55.05503	6.9
57.03429	5.0
59.04994	3.6
60.35873	1.3
67.05512	11.2
69.03084	2.1
69.03435	27.4
69.07060	5.1
69.71211	7.9
70.55759	1.8
70.85448	1.5
71.04996	20.1
73.09479	1.4
75.04479	2.7
79.05491	7.2
81.07081	9.2
83.04983	6.3
83.08624	2.2
91.05483	13.1
93.07038	9.8
94.33336	1.6
95.04974	7.8
95.08601	8.6
97.02914	1.8
97.06532	2.7
103.05489	1.8
105.07059	14.2
107.04942	3.7
107.08626	11.6
109.06524	5.9
109.10184	10.0
111.04411	1.8
111.80903	1.6
113.06042	4.2
115.05484	2.6
116.06221	1.6
117.07027	2.8
119.08590	10.5
121.06516	15.5
121.10159	4.6
123.04439	1.8
123.08064	7.7
123.70761	1.7
127.11205	60.8
128.06262	2.5
129.06996	5.8
131.08559	8.3
132.05693	2.3
133.06537	8.0
133.10118	5.0
135.08054	9.9
135.11795	1.9
137.05991	16.4
141.06990	2.5
142.07764	3.2
143.08575	7.2
145.06532	4.3
145.10138	5.8
146.36633	1.5
147.08037	9.7
147.11784	2.3
149.05975	6.2
149.09624	6.1
151.04028	1.8
151.07564	42.3
151.68445	1.6
153.07021	2.3
155.08537	3.0
156.09361	2.9
157.10132	6.8
158.07285	2.2
159.08076	15.2
159.11729	3.0
160.05159	3.1
161.06004	25.3
161.09618	10.2
162.06726	5.1
163.07559	15.2
163.11182	2.5
164.08315	5.0
165.07030	2.9
165.09209	1.7
166.07733	3.0
168.09431	1.8
169.10138	4.7
171.08069	2.9
171.11703	6.5
173.06012	2.3
173.09677	8.5
174.06813	6.9
175.07565	100.0
175.11166	6.3
176.08110	1.8
177.05672	2.3
177.09120	14.9
181.10185	4.6
181.83951	1.7
183.08026	1.8
183.11739	2.8
185.09641	6.0
187.07582	16.2
187.11208	5.0
188.08296	4.7
189.09131	29.5
191.07037	2.2
191.10689	3.3
195.11720	1.8
197.09546	1.8
199.07536	1.6
199.11160	4.5
199.14709	1.8
201.09172	10.4
202.09894	2.8
203.10690	14.0
205.08604	33.2
205.12317	1.7
209.07976	1.9
209.09735	2.3
210.10269	1.9
211.11078	2.7
212.08165	7.6
213.12817	2.9
215.10625	10.1
217.12206	5.1
223.11076	1.9
223.14848	1.9
227.10693	30.9
227.14276	2.2
229.12260	6.8
231.13794	4.1
233.11694	8.2
237.12981	2.3
245.11761	39.7
247.13203	2.7
250.15701	4.2
263.12817	21.7
289.15848	1.8
295.20984	1.7
381.20285	1.6
409.23599	2.3
427.24951	1.9
437.23022	3.4
449.26709	2.0
467.27710	2.8
477.26312	4.6
485.28583	2.0
495.27771	3.7
513.28076	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	513.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05374	1.6
50.87678	1.8
54.66160	1.4
55.01877	2.4
55.05495	5.5
59.04996	4.4
60.05334	1.7
67.05490	6.7
69.03410	6.0
69.07069	4.2
69.54995	1.5
70.69374	4.2
70.79387	1.5
71.05003	15.6
79.05481	6.9
81.07060	9.8
83.04958	2.6
85.06529	5.4
91.05492	10.5
93.07030	6.0
95.04958	2.6
95.08603	7.0
97.02899	1.5
97.06551	3.4
97.10190	2.0
100.69906	1.4
103.05470	1.8
105.07040	9.5
107.08601	14.5
108.05640	1.6
109.06512	3.3
109.10153	2.9
111.08069	2.8
117.07034	2.5
117.17040	1.5
119.08572	6.9
121.06551	9.8
121.10163	4.7
123.04416	3.7
123.08058	6.2
125.05968	2.1
125.09624	6.7
127.11167	3.9
128.06230	2.5
129.07011	4.6
131.08549	7.0
133.06505	3.9
133.10121	4.8
135.08076	8.1
137.05986	23.4
142.07779	3.1
143.08508	3.5
145.06473	3.9
145.10141	4.9
146.07347	1.5
147.08060	6.7
149.05981	3.7
149.09584	4.7
151.07562	28.2
155.08530	1.6
156.09314	2.0
157.10162	3.7
159.08081	13.2
159.11745	4.2
160.05243	2.8
161.06001	17.2
161.09634	9.3
163.07532	18.2
163.11279	3.0
165.09134	3.3
168.09341	2.2
168.59813	1.5
171.08151	2.2
171.11684	2.9
172.08910	3.8
173.09631	7.2
173.13245	2.3
174.06770	5.7
175.07567	100.0
175.11145	3.3
177.09151	17.0
179.10693	2.0
183.11653	3.2
185.09633	3.0
185.13229	3.0
186.10184	2.1
187.07555	6.3
187.11206	8.9
188.08379	2.7
189.09125	34.0
189.12836	2.3
191.10693	15.1
193.08621	2.6
196.08954	1.8
197.13297	2.0
199.11069	1.8
201.09129	3.2
201.12727	5.3
203.10658	6.1
205.08530	1.8
205.12270	2.4
211.11247	4.6
213.12733	2.8
214.09917	3.1
217.12302	1.6
219.13899	1.8
224.11948	1.6
227.10611	2.2
229.12267	47.0
230.12982	2.3
231.13788	16.1
241.12292	2.0
247.10817	3.5
247.13318	60.9
249.14902	6.0
253.15903	2.0
409.24185	2.0
437.23157	4.7
449.26672	2.6
467.27805	2.1
477.26294	3.9
485.29068	1.8
495.27277	5.2
513.28674	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	513.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
67.05504	0.6
70.06574	0.5
71.51146	0.8
81.07056	0.7
83.04977	1.7
85.02903	1.2
91.05505	0.9
93.07043	1.2
105.07050	0.8
107.08617	0.6
109.10091	0.6
117.07051	1.0
128.80841	0.6
133.10167	0.8
136.06183	8.0
137.12592	0.5
143.08525	0.8
145.10233	0.7
241.19560	0.8
249.11006	10.6
265.14325	0.8
305.21133	1.1
319.15161	1.8
335.14655	10.2
356.36517	0.7
363.14160	3.7
381.15182	12.1
382.68848	0.6
414.17694	1.2
421.18237	1.4
449.17477	1.1
451.19226	2.2
467.18762	4.7
495.18497	10.6
513.19440	100.0
514.22321	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	513.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
67.05504	0.6
70.06574	0.5
71.51146	0.8
81.07056	0.7
83.04977	1.7
85.02903	1.2
91.05505	0.9
93.07043	1.2
105.07050	0.8
107.08617	0.6
109.10091	0.6
117.07051	1.0
128.80841	0.6
133.10167	0.8
136.06183	8.0
137.12592	0.5
143.08525	0.8
145.10233	0.7
241.19560	0.8
249.11006	10.6
265.14325	0.8
305.21133	1.1
319.15161	1.8
335.14655	10.2
356.36517	0.7
363.14160	3.7
381.15182	12.1
382.68848	0.6
414.17694	1.2
421.18237	1.4
449.17477	1.1
451.19226	2.2
467.18762	4.7
495.18497	10.6
513.19440	100.0
514.22321	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	513.2852
Annotation	Deformylcalbistrin A
Peak:m/z	Relative Intensity
55.01871	2.1
55.05499	8.1
57.03434	2.5
59.05016	3.5
62.31907	1.7
62.35308	1.8
67.05508	23.1
69.03436	22.4
69.07066	12.6
70.03550	8.4
71.04994	5.5
75.04472	3.7
75.16812	1.7
77.03944	2.3
79.05490	10.2
81.07066	16.0
83.04973	8.4
91.05492	14.2
93.06554	1.7
93.07027	10.8
95.04962	4.7
95.08609	11.5
97.06530	6.2
105.07037	13.5
107.08596	10.9
109.06490	6.6
109.10171	32.0
113.06030	4.7
117.07045	2.8
119.08581	10.0
121.06512	17.5
121.10136	5.9
123.04408	4.4
123.08080	13.1
125.09639	3.9
129.06989	3.8
131.08621	9.7
133.06516	5.7
133.10127	3.5
135.04387	2.3
135.08052	13.0
137.05986	25.2
137.09709	2.6
142.07796	2.3
143.08551	7.3
145.06509	4.2
145.10133	8.0
147.08031	9.1
149.06003	4.8
149.09599	10.0
151.03891	2.8
151.07555	55.0
155.08562	2.9
157.10146	6.0
159.08066	13.5
159.11681	5.6
160.05145	2.4
161.05978	17.4
161.09628	15.1
162.06783	4.7
163.07571	25.2
165.09154	2.0
169.10091	3.7
171.08076	5.6
171.11723	4.5
173.09673	5.8
174.06735	4.7
175.07567	100.0
175.11191	5.6
177.05530	2.9
177.09100	37.6
181.10112	4.5
183.11652	5.0
185.09528	2.7
187.07544	8.7
187.11249	5.1
188.08351	4.8
189.05359	1.9
189.09143	35.7
189.45612	1.9
191.10680	5.7
199.11166	6.5
201.09099	5.7
201.12732	3.3
202.09720	2.7
203.10716	10.3
203.14355	2.8
205.08618	15.7
207.11809	2.8
209.09821	2.8
212.08307	3.8
213.12906	2.3
215.10725	8.7
217.12303	4.9
219.10156	2.6
221.13380	2.3
223.11325	2.9
223.15144	2.0
227.10736	15.8
229.12247	7.5
231.13846	15.2
233.11760	5.9
233.15256	2.6
237.12619	2.3
239.10652	2.6
239.14334	2.3
245.11745	26.6
247.13373	7.2
249.14902	2.8
263.12820	32.1
287.14194	2.1
307.13260	2.2
325.39456	2.2
383.39697	2.0
391.22784	3.9
419.22461	2.3
437.22971	2.4
449.26727	4.1
459.25491	3.5
465.26773	2.6
467.28033	6.1
477.26614	10.7
495.27579	10.2
513.28503	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	512.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01879	1.3
55.05515	2.3
57.07076	1.3
60.08158	1.7
62.06093	100.0
65.03951	1.7
67.05507	10.1
69.07059	3.3
71.01393	0.6
71.04999	0.8
71.08626	0.8
71.51925	0.6
74.88532	0.4
79.05508	1.6
81.07064	4.9
83.04990	1.3
83.08623	2.6
85.02936	0.9
86.09713	2.9
91.05472	0.9
93.03432	0.9
93.07059	1.4
95.04975	8.0
95.08617	5.5
97.06583	0.6
97.10165	3.7
104.10745	8.1
105.07095	0.9
107.05006	0.6
107.08620	1.3
109.10172	2.8
111.04477	1.4
111.11743	1.5
117.07050	0.4
119.08596	0.8
121.02909	1.0
121.06503	0.6
121.10168	0.5
123.08063	0.7
123.11739	1.8
125.00044	1.8
125.09719	0.7
125.13309	0.5
127.11198	1.2
131.08559	0.6
134.57167	0.5
135.08099	1.3
137.06032	0.9
137.13284	0.5
139.02827	0.8
139.03900	11.8
139.04893	0.7
147.11707	0.7
151.07556	0.6
151.84778	0.5
153.05394	0.5
161.05974	0.8
163.07600	1.4
165.05710	0.5
175.07629	1.3
175.11250	0.7
184.07355	4.6
189.09077	0.6
195.10182	0.5
199.11290	0.5
202.06699	0.5
215.34395	0.5
247.13486	0.7
262.71555	0.5
277.28949	2.2
295.29929	3.3
330.84042	0.6
367.62781	0.6
415.32135	3.0
423.21732	0.7
428.17938	0.5
432.77872	0.4
433.33179	16.0
451.34189	1.6
477.26105	0.6
495.27347	0.5
512.33942	2.0
512.50403	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18738	1.4
53.03939	3.1
53.65448	1.6
55.00292	1.9
55.05515	27.7
56.05027	2.0
59.05013	3.4
67.05502	3.0
68.05025	8.4
69.03437	13.2
69.49013	4.1
69.49429	7.8
70.06601	47.5
71.04968	3.0
79.05488	4.3
80.66993	2.0
81.03411	1.9
81.07040	3.5
83.04985	27.8
83.92300	1.6
85.02907	3.4
85.05748	1.6
85.06537	6.0
86.06076	9.4
86.09695	2.0
86.27336	1.6
87.04474	37.3
91.03042	1.6
91.05479	5.5
93.07059	1.8
95.04966	4.5
95.08588	2.0
96.04483	6.4
98.06064	100.0
102.05559	4.4
105.07020	5.0
107.08598	2.5
109.06467	2.1
109.47885	1.8
110.57785	1.5
114.05534	3.5
115.05506	1.9
116.07097	67.9
117.07034	3.2
119.08568	4.0
121.06498	6.8
123.08029	2.0
129.06970	5.8
131.08615	3.1
132.08086	3.3
134.05975	1.9
139.93674	1.6
141.07008	2.1
142.07826	2.8
143.08580	4.7
145.06473	4.0
145.10201	1.7
146.09557	2.1
147.08080	3.4
148.07495	2.3
149.06029	2.4
152.05603	3.0
154.07726	2.1
155.08559	3.6
157.10123	3.2
159.08057	2.9
166.08614	2.5
171.08066	2.2
171.11670	2.0
173.09615	4.2
184.11266	3.7
185.09669	4.2
189.09079	1.7
190.08551	2.3
192.10226	2.4
195.08109	2.5
197.09607	5.5
199.11253	4.4
201.09157	3.8
204.10139	2.1
210.07558	1.8
213.09079	4.5
215.10629	3.6
216.51794	1.6
217.08336	1.4
222.11400	2.1
229.08723	3.5
229.12271	1.9
231.09966	1.8
241.08653	5.0
243.10220	3.2
244.13376	2.5
247.09669	3.4
247.13383	1.7
250.10643	2.6
260.12903	2.2
264.08621	3.6
268.04907	1.9
280.13086	2.1
282.14886	2.3
326.13687	4.1
344.14886	15.2
358.16412	1.7
362.15982	4.6
364.17590	5.8
376.17560	23.7
394.18625	61.6
395.18906	1.9
406.17322	2.0
412.19635	24.6
444.20319	13.1
458.18430	1.7
476.22791	7.4
480.17645	3.5
494.24060	46.0
512.25122	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	512.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76263	2.3
53.03945	5.8
55.01883	2.8
55.05514	64.4
56.05020	7.6
57.03454	4.0
67.05509	5.2
68.05027	2.7
69.03079	3.2
69.03436	35.4
69.07032	2.7
70.06612	3.0
71.05024	2.7
71.51639	3.9
74.06086	12.1
77.86432	2.4
79.05492	5.4
81.07080	2.6
82.06595	5.8
83.04986	76.0
84.04507	21.6
84.08125	2.7
85.02943	2.6
86.06082	8.5
88.03992	17.2
91.05481	13.9
93.07055	9.0
94.06567	4.1
95.04987	6.8
97.02917	2.5
98.06056	6.8
99.06848	2.7
99.34076	2.6
100.07623	5.5
102.05587	4.5
105.07052	10.5
107.04954	4.2
108.08128	4.3
109.06516	3.7
110.06066	8.2
111.04481	4.1
112.07641	4.8
113.06007	12.1
115.05502	3.8
116.07096	21.8
117.07043	8.2
118.06414	2.6
119.08600	5.5
120.08131	3.4
121.06513	10.6
123.08099	3.1
124.07626	5.0
128.06227	4.2
128.07060	5.3
129.07034	4.6
130.08630	18.3
130.44499	2.3
131.08594	5.7
133.06514	4.5
134.08176	13.6
135.04465	3.8
136.07681	3.9
138.09171	6.1
142.07791	3.4
143.08588	3.7
143.19017	2.4
144.06596	12.5
145.06526	6.8
145.10126	7.9
147.08087	5.6
149.06026	6.1
151.07567	6.5
155.08534	5.1
157.10136	3.1
159.08081	6.7
160.09709	3.2
167.07100	6.1
170.08171	3.1
171.08023	4.7
173.09660	7.4
175.07590	3.9
175.11156	2.9
180.06599	8.0
186.11267	3.6
188.09221	8.6
190.08638	5.3
191.07132	7.9
198.11287	7.3
198.27100	2.9
201.09161	6.3
205.08691	4.4
208.09795	3.6
214.10739	5.3
215.10692	9.2
216.12334	13.5
217.12184	3.2
234.11319	3.1
243.10298	6.7
261.11264	30.2
279.12253	7.4
282.13492	3.2
295.14166	25.7
304.15405	3.9
308.78204	2.8
310.73651	2.7
334.16489	6.4
350.16281	3.0
352.17578	3.9
357.19394	3.2
364.17645	3.4
376.17422	5.5
382.18744	5.4
394.18628	36.4
395.45114	2.8
412.19717	85.2
439.87674	3.3
482.23938	4.2
494.24048	12.0
512.25000	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.2
55.01870	0.8
55.05515	21.0
55.06536	0.4
65.03936	0.8
67.05515	0.6
70.06588	0.5
71.51063	0.5
79.05489	1.4
79.32124	0.4
81.07045	0.6
83.04987	24.9
85.02892	1.2
91.05487	2.7
93.07031	1.0
94.04070	0.5
95.05000	2.0
97.02880	0.7
103.05475	0.8
104.05399	0.4
105.07021	1.7
107.04967	1.7
109.02935	0.6
114.76767	0.4
115.05449	2.7
117.07025	4.1
119.03579	1.7
119.04931	0.7
119.08597	1.2
119.66012	0.4
121.06471	1.0
123.04448	0.5
128.06223	3.2
129.06999	3.8
131.04910	1.0
131.08585	1.2
133.06482	0.6
135.04411	1.0
135.08076	0.7
136.06197	100.0
137.04584	0.9
137.05971	0.4
141.07039	3.6
142.07808	4.3
143.08589	2.7
145.06500	2.5
145.10138	0.8
147.08025	1.1
149.06027	0.5
152.06229	3.5
153.07004	1.9
154.07834	1.9
155.08585	3.3
157.06575	0.7
157.10155	2.7
159.04489	0.4
159.08055	1.2
161.05782	0.4
163.07549	0.7
165.07010	1.6
166.07832	1.0
167.08572	7.3
169.06496	1.8
169.10124	1.4
170.07306	1.4
171.08070	3.0
175.07594	0.5
183.08083	1.9
184.05193	0.5
185.09633	4.6
187.08575	1.7
194.10414	0.5
195.08072	4.9
196.08936	0.6
197.05977	0.4
197.09650	1.1
198.06712	0.6
199.07523	1.0
205.08452	0.4
211.07443	0.6
213.09090	5.8
215.07144	1.0
218.10466	0.5
223.07567	2.3
227.10748	0.5
229.08717	0.6
231.10181	4.9
241.08612	9.5
254.12651	0.5
259.09686	8.7
277.10638	0.5
341.14008	2.3
359.14963	2.5
376.13962	2.4
394.15115	5.2
412.16177	7.7
494.20340	4.9
512.21527	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	512.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66411	3.5
55.01867	8.2
55.05499	11.1
57.03436	4.6
64.41350	3.2
67.05504	4.2
68.05016	4.2
69.03433	48.6
70.06594	14.6
71.49947	3.5
71.50349	4.3
79.05500	9.9
81.03417	9.0
82.06583	32.1
83.04975	21.6
84.04511	100.0
84.05271	5.0
84.08151	6.3
85.02904	15.3
85.16235	3.5
86.06080	10.6
86.09716	4.0
91.05489	25.7
93.07044	12.5
94.06585	7.6
95.04960	9.6
96.04488	7.5
97.05297	4.2
98.06046	7.5
100.07626	10.2
102.05559	16.3
103.05466	6.3
105.07047	19.2
107.04948	5.2
108.08172	2.9
110.06052	17.7
111.04433	4.5
112.07607	5.8
113.06068	4.9
114.05531	4.0
114.09169	3.8
115.05468	8.3
116.07079	3.7
117.07008	13.6
120.08099	5.4
121.06507	19.3
126.05544	5.2
128.03453	3.8
128.06277	7.8
128.07080	31.8
129.07030	6.1
130.04991	17.4
131.08571	9.7
133.06464	8.1
136.07593	11.0
138.05519	22.5
138.09064	4.3
140.07062	6.2
141.06996	4.1
143.08556	8.3
145.06494	14.7
145.10124	11.7
146.04376	4.9
147.08035	7.4
148.06065	8.3
148.07562	6.5
149.05963	14.6
150.09117	6.2
151.07466	6.3
155.08556	9.0
156.06555	40.6
157.10168	5.3
158.08192	7.2
159.08075	9.9
161.06026	4.7
161.09654	5.3
162.09132	4.7
163.07555	11.2
164.07094	13.3
167.07062	8.2
171.08060	6.8
173.06004	4.8
173.09628	19.4
174.07622	11.8
176.07275	3.4
180.06578	12.7
182.08157	11.8
184.06068	4.2
186.09119	3.9
187.07463	7.5
187.11227	5.4
189.09119	5.9
190.08591	12.4
191.07028	10.6
197.09656	7.4
199.11201	4.9
201.09073	18.9
202.07121	10.5
203.06931	4.3
203.10640	4.3
204.10223	5.9
205.08658	7.4
208.09705	3.9
212.09166	5.6
215.10706	14.1
217.08826	4.7
219.10251	4.8
225.09045	5.0
227.45009	3.6
228.08603	6.3
231.10162	6.4
233.11655	5.1
243.10199	16.4
249.11261	4.3
250.10736	5.4
261.11169	20.6
277.13138	12.1
278.10016	3.6
279.12271	14.1
295.14175	52.6
296.11356	4.8
348.15100	5.2
362.16257	18.9
371.12473	5.5
372.14206	5.3
380.16953	10.3
390.15442	7.0
393.53583	3.8
396.16553	13.8
399.22369	3.9
408.16495	64.6
426.17590	94.7
482.20416	12.3
494.19928	22.8
512.21210	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	512.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.3
55.01878	1.7
55.05511	2.3
55.55888	0.9
57.03429	2.1
58.95494	1.0
61.02911	1.6
67.05513	5.0
68.99798	1.4
69.03434	6.0
69.27547	1.0
71.50545	1.6
77.37353	1.0
79.05502	7.9
80.21716	1.0
81.03424	7.9
81.07060	8.1
83.05006	1.5
85.02916	13.0
87.00832	5.8
91.05486	12.1
93.07039	8.1
95.04937	2.0
95.08630	1.6
97.02887	5.9
97.06548	1.7
99.04463	1.8
103.05436	1.1
105.01901	5.0
105.07032	7.1
107.04961	3.2
107.08579	2.6
109.02878	16.7
115.05488	1.0
115.57740	1.0
117.06990	6.1
119.08588	6.8
121.06470	1.6
127.03932	14.7
128.06218	2.0
129.01807	1.1
129.06987	6.7
131.08583	7.3
133.06482	1.9
135.04419	6.2
135.08159	1.4
137.05957	2.1
141.06953	5.1
142.07825	3.0
143.08546	5.7
145.05008	1.8
145.06485	2.2
145.10129	4.4
149.05975	3.0
151.00586	1.0
153.06975	2.7
155.08582	10.9
157.06445	1.2
157.10143	9.5
159.02983	2.0
159.04370	1.6
159.08083	2.1
159.11812	1.2
161.06023	2.5
161.09627	1.1
163.07571	2.9
165.07085	1.7
167.08559	2.2
168.09375	3.7
169.10104	1.8
171.07959	1.2
173.09645	3.6
173.13239	3.3
175.07594	1.4
178.07819	1.6
181.10155	2.3
183.08151	1.6
183.11708	16.7
185.13293	1.7
187.07547	1.6
187.11130	1.4
193.10112	7.6
199.11159	3.0
201.09116	16.0
201.10825	1.4
201.11214	1.1
201.12766	9.7
211.11208	7.1
213.04034	4.5
227.10762	1.3
229.12253	100.0
230.12651	1.1
231.05035	3.8
247.13301	2.0
265.14456	1.3
314.13391	1.3
355.15271	1.9
359.29825	1.1
459.16946	1.4
480.17627	1.5
512.13489	1.2
512.20221	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	6.5
55.01863	8.6
55.05270	6.7
55.05518	88.9
56.05025	4.7
65.03943	4.6
67.05497	10.1
68.66978	5.0
69.03436	65.2
69.92128	24.0
70.02956	9.2
70.06596	35.0
71.06914	6.5
74.02448	5.4
79.05494	17.3
81.07049	8.0
82.06578	14.9
83.04987	100.0
84.04516	43.7
84.08138	5.6
85.02927	11.6
86.02412	7.8
86.06083	6.4
86.09654	4.6
88.03997	17.7
91.05491	36.2
93.07045	13.3
94.06592	8.4
95.04955	11.3
96.04496	25.7
96.15692	4.6
97.06517	6.1
98.06067	7.9
98.20871	7.6
102.05562	7.4
103.05482	4.5
105.03407	6.5
105.07030	28.4
107.04958	10.6
108.08176	5.8
109.06554	8.8
110.06027	10.4
111.04476	9.0
113.06003	19.1
114.05560	14.2
114.70327	4.9
116.07097	9.2
117.07025	16.5
121.06505	29.9
123.04479	4.9
128.06226	14.3
129.07028	13.6
129.27612	5.1
130.04980	5.8
131.08595	13.1
132.08032	6.3
133.06445	13.5
134.04578	8.0
134.09669	7.1
138.05519	16.1
142.04984	9.2
143.08580	11.1
145.06514	14.0
145.10121	12.4
147.08003	7.2
148.05986	6.6
148.07648	8.6
149.06001	16.7
151.07541	11.3
152.07027	6.4
154.07755	7.0
155.08534	11.7
156.06520	11.4
159.08035	11.0
160.06078	12.8
161.05983	5.6
163.07578	9.1
165.05508	5.4
167.07042	20.5
167.08540	5.3
169.10127	8.3
171.08093	11.0
172.07594	6.6
172.08914	6.2
173.06047	6.9
173.09601	30.6
178.08748	6.0
179.07138	7.7
180.06544	9.3
182.08237	9.3
183.08136	8.6
185.09741	5.5
187.11249	6.4
188.05598	12.2
189.09085	7.3
190.08652	5.9
191.07095	13.3
194.08109	7.2
197.09666	11.6
198.07680	13.6
201.09111	15.5
203.10739	5.7
205.08658	12.6
213.09175	6.6
214.07129	7.6
215.10643	24.7
217.08696	13.7
219.10168	6.4
231.10027	5.9
233.11778	9.3
243.10165	20.7
254.85803	5.6
261.11264	81.7
277.13181	9.0
279.12289	22.9
295.14102	40.8
332.22415	7.4
347.14844	12.8
348.14490	13.1
350.23276	14.9
366.15515	9.9
371.12189	7.7
380.17142	7.6
390.15573	9.0
394.14877	35.6
408.16644	49.5
412.16049	75.1
426.17746	20.4
494.20108	21.2
512.21198	48.6
512.28394	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3557
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05513	0.6
56.05033	1.0
57.03436	0.7
57.07081	4.2
57.78738	0.4
58.06586	2.2
60.08168	16.3
67.05505	1.2
69.07064	0.7
70.68397	0.5
70.68745	0.8
71.07378	6.4
71.08654	2.1
76.55974	0.3
81.07051	1.3
83.08624	0.8
85.10175	1.3
86.09711	50.1
95.08606	0.8
98.98466	4.1
104.10749	100.0
107.08596	0.4
109.10200	0.6
125.00011	27.1
151.14603	0.4
155.54843	0.4
163.01546	0.8
181.02689	0.4
184.07349	98.1
185.07776	0.4
235.85529	0.4
258.11041	0.9
313.27374	0.9
327.28992	1.6
327.76401	0.4
492.34512	8.6
510.35571	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	510.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.0
57.07081	48.7
61.02935	4.5
67.05511	18.9
69.07066	7.7
70.10675	14.0
70.11024	4.1
71.08635	36.0
79.05475	4.8
81.07062	20.6
83.08615	13.4
85.02861	3.7
85.10197	18.4
86.09694	5.9
93.07041	4.7
95.08621	34.3
97.02941	3.2
97.10155	7.8
104.10729	14.2
109.10177	15.5
120.79961	3.5
123.11684	5.6
125.00035	4.8
127.04012	4.0
145.04922	4.2
184.07318	15.5
218.66052	3.6
239.23727	37.3
250.95251	3.3
257.24692	3.8
312.62714	3.2
313.27371	100.0
331.28421	14.3
383.27847	7.0
401.28922	9.2
510.35953	6.0
525.04578	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	510.437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.2
57.07084	36.8
62.13156	3.0
68.82404	2.3
69.07077	6.0
70.06609	2.9
71.08633	33.7
71.51540	4.9
73.06565	4.2
79.05491	3.5
81.07050	2.6
83.08616	4.9
85.10186	14.0
87.04486	4.0
89.06037	100.0
95.08625	5.5
97.10177	6.2
111.11714	2.8
133.08626	50.7
134.10443	2.9
142.48422	2.4
148.10512	2.6
177.11244	20.0
211.24243	3.8
283.17563	15.7
299.29416	4.4
309.19156	2.8
323.36450	3.2
493.40906	10.4
510.37097	3.1
510.49167	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.0
55.01862	2.9
55.05516	37.3
56.05034	2.6
67.05500	1.2
68.05032	61.2
69.03428	5.0
70.06602	1.9
70.62370	3.5
79.05490	3.9
81.03432	3.5
81.07067	1.9
82.06603	1.9
83.04987	49.7
84.04509	79.5
85.02909	12.4
85.06544	1.6
91.05488	4.7
93.07048	3.3
95.04940	1.8
95.08613	2.9
96.04501	16.9
97.02913	3.3
97.06513	1.5
98.06056	1.3
99.04446	1.6
100.07623	3.7
102.05547	6.8
105.07043	9.1
106.13218	1.2
107.08609	6.7
114.05540	100.0
117.07027	4.2
119.08600	9.7
121.06505	2.2
121.10147	2.5
123.08097	2.4
128.06210	1.3
128.07085	2.4
129.07010	2.3
130.05019	8.4
131.08598	5.2
132.06604	2.2
137.06012	2.1
142.05009	34.9
142.07776	2.0
143.08528	3.5
145.06503	2.1
145.10115	10.2
147.08078	2.0
147.11682	4.1
149.09644	2.2
150.05527	7.8
151.07681	1.8
155.08659	2.0
156.09375	2.3
157.10179	2.5
159.11699	2.2
160.06061	66.4
160.84634	1.2
163.11208	5.0
167.10634	2.4
168.06567	3.3
169.08627	13.8
169.09976	1.9
171.11693	3.4
173.09691	5.7
173.13303	3.0
175.11143	3.5
180.06531	1.4
181.10159	3.5
191.10835	2.6
199.11206	7.1
200.10757	1.9
201.12741	2.2
209.11752	2.9
215.10788	2.8
217.12262	4.4
219.13824	2.9
227.10677	3.4
227.12811	18.5
228.13728	1.9
233.11797	2.2
245.11725	4.6
246.11353	3.0
269.21140	1.2
274.14380	3.5
289.03406	4.0
290.03827	8.9
300.15958	2.1
313.24597	1.6
315.04623	3.0
317.02982	5.4
318.03210	7.4
318.16891	2.4
328.15512	3.4
333.05533	3.6
346.16650	6.8
347.07672	10.7
348.07996	30.8
364.17538	8.0
374.15927	6.1
392.17130	5.8
410.18121	5.6
464.22876	20.8
492.22131	2.6
510.23337	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01874	2.1
55.05514	4.9
57.03431	2.8
59.05413	1.1
67.05507	15.9
69.03433	2.0
69.07074	6.4
69.85079	0.9
70.59285	2.7
70.84293	1.0
71.04991	3.7
72.25696	1.1
72.92743	0.9
78.20872	1.0
79.05504	10.2
81.03400	0.9
81.07063	48.3
83.04991	3.5
83.08623	3.5
85.06551	2.7
87.04458	2.8
91.05490	16.0
93.07060	8.0
95.05007	1.2
95.08607	10.1
97.02904	1.7
97.06525	5.6
97.10173	0.9
99.08115	2.0
100.62716	0.9
105.07043	24.4
107.08617	9.3
109.06522	4.8
109.10213	1.2
113.05980	1.6
115.03929	6.2
119.08588	19.0
121.10145	15.8
123.04436	1.9
123.08114	2.2
123.11708	16.3
125.09643	1.3
127.07597	1.9
129.07021	1.8
131.08585	2.0
133.04997	1.2
133.10136	2.8
137.13269	2.0
147.11696	62.7
149.09622	1.1
157.10176	4.6
165.12766	34.1
165.14157	2.0
165.55273	1.0
169.04895	1.4
175.11203	9.7
183.13826	4.8
193.12286	12.2
211.13289	4.6
229.14366	22.3
259.07300	1.1
261.14944	1.3
279.15958	4.3
297.17004	35.6
307.15466	1.3
325.16470	100.0
326.16922	1.3
343.17587	4.4
411.19876	2.7
457.20813	8.7
457.80820	1.3
492.23087	1.4
510.23892	3.2
538.94580	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.2
55.01870	5.7
55.05508	4.7
55.93523	11.2
56.94301	3.3
57.03437	4.3
61.02943	5.4
67.05496	9.3
68.18304	2.7
68.99763	3.1
69.03425	19.1
69.39944	2.6
70.34501	9.0
70.34888	5.5
70.95847	3.7
71.04975	2.6
72.93795	12.0
73.02907	6.5
78.04712	2.9
79.05501	13.1
81.03422	18.4
81.07066	8.4
85.02920	42.0
87.00826	15.8
90.94836	6.6
91.05492	100.0
92.05722	2.9
93.07051	5.0
95.08611	5.9
97.02897	32.1
97.06552	4.4
99.04486	5.7
105.01878	11.3
105.07036	5.3
105.16198	2.7
105.23313	3.0
107.04964	42.3
107.08590	4.7
109.02896	15.5
109.06571	3.4
117.01895	3.5
127.03924	28.3
129.01857	6.0
131.08525	4.0
145.05020	18.3
150.09143	15.6
151.02068	3.3
159.02895	12.2
164.70024	3.2
166.97952	3.8
175.07545	3.2
210.04568	3.6
216.91180	3.3
237.05685	4.2
245.08212	2.9
256.07959	3.4
265.05219	9.2
282.06711	19.2
283.06293	66.7
289.05350	5.1
300.07587	10.1
301.07349	21.4
324.08951	5.3
361.14066	4.5
377.10220	3.8
466.25217	3.4
492.17645	5.0
510.24222	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	510.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.5
55.01867	11.9
55.05499	10.5
62.84837	2.1
66.16660	2.0
67.05506	4.6
68.05025	9.2
69.03437	9.8
69.07066	6.7
70.06612	3.8
71.04970	3.6
71.51175	2.8
73.02899	2.9
79.05496	5.5
81.03415	8.8
81.07071	6.5
83.04994	14.8
84.04511	15.3
85.02915	18.2
85.06543	4.9
86.09663	1.9
87.00838	5.7
91.05493	3.7
93.07056	11.6
94.06557	2.3
95.04975	6.6
95.08611	8.5
97.02908	9.8
97.06529	6.3
99.04466	8.0
100.07631	6.8
100.10666	1.9
105.01861	4.9
105.07029	10.2
107.08615	24.6
109.02885	8.5
109.06524	4.1
113.05965	3.4
114.05535	18.6
117.06973	2.4
119.08591	4.3
121.06516	5.1
121.10145	7.0
123.08070	7.7
127.03921	9.7
128.07060	8.1
129.07018	2.7
135.11734	5.7
137.05884	2.7
139.27217	2.5
142.05019	5.3
145.04930	3.1
145.10143	9.6
149.09615	3.5
150.05502	20.0
151.07556	6.7
159.02855	2.8
159.23743	2.0
160.06055	9.2
163.11188	20.1
167.10693	9.4
168.06586	8.8
169.08621	71.3
169.09848	2.6
173.09660	2.7
181.10381	1.7
181.10870	2.1
181.12245	16.0
185.11736	2.2
191.10678	7.3
199.10959	2.1
203.35464	1.9
209.11760	9.4
209.15230	3.5
227.12796	100.0
227.16345	5.2
318.03333	4.6
333.05444	3.6
347.07678	7.1
348.07883	19.5
464.22614	2.9
510.23691	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	509.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.4
57.07076	10.5
62.88803	2.4
63.55632	2.3
67.05513	13.1
69.07070	9.4
70.24805	12.3
70.66518	2.7
71.08622	9.7
79.05496	13.2
81.07056	18.3
83.04945	3.2
83.08612	5.0
85.10178	4.1
89.06035	6.9
91.05495	7.5
93.07060	8.7
95.08627	12.9
97.10150	5.1
98.21454	4.5
99.20935	3.2
103.05478	9.9
105.07037	7.8
106.00226	2.7
107.08591	3.9
109.10146	5.1
125.09534	2.8
131.04912	3.1
133.10143	6.2
135.08044	9.9
135.11655	3.2
137.05988	9.5
163.07489	5.2
165.09131	11.7
191.07071	40.6
194.89238	2.7
209.08105	100.0
211.09650	6.5
227.09096	22.3
265.25415	3.6
284.30038	3.0
409.71222	2.9
419.69406	3.1
430.94296	3.3
473.32602	24.7
491.33798	8.1
509.39914	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	509.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	6.3
56.15720	3.5
57.07066	6.1
61.22737	3.9
66.97443	4.0
67.05502	14.4
69.07060	11.9
69.20515	15.1
69.20945	16.2
70.93096	3.7
71.08631	11.9
79.05491	8.6
81.07055	13.7
83.08620	6.9
89.06043	3.6
91.05482	13.2
91.53934	3.0
93.07021	17.5
95.04971	4.4
95.08611	14.5
97.10175	4.3
103.05478	12.5
104.61918	3.7
105.06980	4.3
107.04970	8.6
107.08600	6.4
109.10142	9.2
119.08586	4.7
121.06518	43.6
121.10162	11.5
129.88527	4.0
131.04988	3.4
133.10146	3.8
135.08069	8.3
135.11703	4.5
147.04326	4.2
149.05998	100.0
153.05482	81.1
163.07660	4.1
165.49921	3.4
167.07092	3.8
181.08611	87.7
199.09648	32.5
275.27277	4.5
306.59521	3.9
317.91284	3.5
328.85089	3.5
509.39279	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	510.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23653	0.9
53.03948	1.1
53.78277	0.9
55.01868	1.7
55.05505	2.1
57.29711	0.7
58.09663	0.7
65.03947	2.2
67.05500	1.0
69.03431	4.1
69.71431	4.1
71.05000	1.3
73.00555	0.7
73.02907	0.9
77.61302	0.8
81.03428	5.1
81.07049	1.2
85.02913	11.5
87.00837	4.6
91.05489	100.0
92.05817	0.8
97.02911	7.9
99.04467	2.9
100.11250	1.5
105.01862	5.4
105.07052	1.1
108.04515	0.8
108.08128	2.2
109.02886	5.6
117.07014	0.8
127.03915	11.5
129.07057	1.0
145.04980	6.0
145.05968	0.8
145.06326	0.6
150.09206	1.6
157.10226	1.1
159.02913	2.9
167.03426	3.0
180.74779	0.8
215.19939	1.0
231.05096	1.5
245.08125	1.5
309.12393	0.8
309.47385	0.8
315.90192	0.8
478.19867	1.8
492.22394	2.1
510.23743	2.9
521.27716	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83473	1.1
59.05323	1.1
67.05500	1.2
69.40095	6.2
69.40514	3.2
79.23489	1.1
81.52816	1.2
85.06535	2.2
87.06548	1.2
91.05482	1.8
92.75313	1.1
93.07053	1.4
95.08588	1.6
98.15268	1.0
98.20705	2.1
105.07037	1.3
107.08569	2.7
119.08611	1.3
130.35202	1.3
203.05299	3.0
227.05362	2.5
243.04755	8.2
245.06311	8.1
261.18341	6.5
271.04245	1.5
287.03751	73.8
289.05322	82.4
447.23691	5.9
465.24658	9.6
491.22556	100.0
492.22729	3.4
509.23627	51.8
510.23706	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32461	2.1
69.32888	2.3
75.56790	0.6
79.05479	1.1
81.07053	3.0
91.05453	0.6
93.06979	0.6
94.01516	0.5
95.08599	0.7
98.20786	1.0
101.60511	0.5
105.07021	0.6
107.08617	4.6
111.50243	0.5
119.08541	0.6
147.11647	0.8
163.14822	1.2
173.34825	0.5
203.05186	2.0
214.18582	0.5
227.05283	1.1
243.04709	0.6
245.06323	5.3
261.18280	1.4
271.04187	0.7
287.03769	3.7
289.05304	100.0
290.05542	0.5
465.24683	4.5
491.22424	1.5
509.23615	53.1
510.24512	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89039	1.3
63.52023	1.3
67.05503	3.8
67.25443	1.4
67.82317	1.2
69.07070	3.6
70.66008	3.7
79.05521	1.7
81.03439	1.9
81.07067	5.0
83.08640	1.5
91.05492	3.7
93.07059	2.4
95.08619	4.1
97.06555	1.5
105.07037	2.9
107.04984	1.8
107.08571	2.3
109.10159	2.4
119.08605	1.9
121.10201	1.3
125.09703	1.2
133.10136	1.6
137.13248	2.2
201.03738	2.4
203.05200	1.5
243.04762	7.5
243.17157	1.7
245.06366	7.6
245.18921	1.7
261.18164	7.4
271.04324	3.0
287.03775	63.6
289.05313	72.6
303.15900	1.6
321.22272	1.3
357.01041	1.4
382.97318	1.3
423.23557	2.7
447.23633	3.6
465.24686	21.3
491.22537	35.6
509.23642	100.0
515.79156	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58250	1.8
55.05522	21.4
57.03429	7.1
57.07069	4.0
65.03938	2.1
67.05506	47.4
69.07066	19.6
79.05502	14.3
81.07061	40.7
83.08629	11.0
91.05482	8.8
91.74410	1.8
93.07050	13.3
95.08610	39.9
95.96221	2.0
97.06532	3.4
97.10162	2.8
98.47169	1.8
98.98473	47.6
105.07023	6.6
107.08591	8.2
109.10170	15.6
119.08611	5.9
121.10129	7.5
123.08125	2.4
123.11707	5.5
131.08633	2.8
133.10141	8.1
135.11670	6.0
145.10115	3.0
147.11671	4.3
149.13240	2.6
151.14828	2.5
155.01082	16.4
155.08530	2.2
161.13280	2.9
163.14795	2.7
173.02115	4.1
190.07620	1.8
229.04747	2.5
245.22665	3.3
247.05789	2.7
263.23740	4.7
337.27386	100.0
459.40402	2.3
473.26700	8.8
509.36493	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75312	0.3
55.05522	1.2
57.07078	0.4
67.05512	1.2
68.05022	0.4
69.07067	0.9
70.06595	62.1
71.50274	0.5
71.50610	0.4
79.05516	0.7
81.07056	1.1
81.55420	0.3
83.05032	0.4
83.08616	0.6
90.06460	0.3
90.35109	0.3
91.05500	0.4
93.07047	0.7
95.04962	0.3
95.08609	1.2
97.06501	0.5
105.07045	0.6
107.08571	0.8
109.10167	0.7
116.07098	100.0
117.07449	0.4
119.08584	0.4
121.10150	0.6
128.07024	0.4
131.08614	0.3
132.03018	0.3
133.10178	0.3
135.11670	0.4
151.03915	0.6
153.05447	0.4
157.10156	0.4
159.11649	0.4
161.09570	0.4
161.13109	0.3
167.10649	0.3
173.09531	0.3
175.07556	0.4
193.08571	0.3
347.25751	4.7
375.20630	0.6
375.25287	10.5
393.26248	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59632	0.5
54.36847	0.5
68.33824	0.6
69.53965	3.7
85.57787	0.5
86.57059	0.5
98.97605	1.2
101.00884	1.9
116.28001	0.6
119.01930	3.2
138.69377	0.6
158.99911	1.6
177.00955	8.8
182.99950	1.1
195.44522	0.5
201.00970	3.7
216.99026	1.0
217.04048	2.3
218.98790	1.1
219.02025	19.1
220.02214	1.0
225.00912	3.5
235.00060	1.2
236.00232	0.7
236.99901	1.3
240.98982	1.9
241.99113	1.0
242.99352	1.0
243.02013	15.5
258.97372	1.0
258.99945	6.2
260.00262	3.7
261.00092	4.6
261.03079	100.0
262.03287	3.7
263.03226	0.7
264.98993	1.0
276.98239	0.9
277.01071	3.8
278.01248	1.8
279.00848	1.8
283.00012	12.7
284.00067	6.7
284.04636	0.8
284.99838	7.2
300.97943	1.1
301.01062	9.7
302.01135	5.5
303.00842	6.6
316.98941	0.7
340.99164	0.8
360.99985	2.4
367.02185	3.3
383.00122	1.5
385.03384	22.8
386.03271	0.9
400.48105	0.6
401.01105	2.6
402.01297	2.3
403.00244	5.4
403.05154	17.1
404.00833	0.8
408.04855	0.7
425.01154	2.0
426.01382	3.2
427.01178	1.3
443.02286	3.5
444.02573	5.6
445.02316	1.4
446.50372	0.9
447.00049	1.8
447.50351	0.6
455.99466	0.9
478.48993	0.8
491.01727	0.7
499.49820	1.0
499.99417	1.9
509.03513	9.9
517.99542	0.7
527.01276	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	508.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.0
67.05529	5.2
69.03432	4.1
69.93687	9.3
71.05000	6.1
79.05495	11.3
81.07065	6.7
83.04989	8.4
83.81872	2.0
84.05364	2.2
91.05499	6.8
91.32811	2.1
93.07050	35.0
95.05000	4.1
95.08615	3.1
97.06512	4.7
99.04473	6.4
105.07038	46.4
107.08598	42.8
107.71251	2.2
108.32962	2.5
109.06525	5.4
117.07034	9.7
119.08595	12.6
121.06516	32.6
121.10153	28.9
130.07861	3.4
131.08583	6.7
135.08073	19.5
135.11664	14.2
143.08698	2.5
145.10144	46.8
147.11723	10.8
149.05980	2.4
149.09630	17.2
152.30302	2.3
163.11189	81.0
173.09663	10.0
181.12291	11.3
181.98526	2.6
191.10683	100.0
192.10971	2.2
199.07619	2.2
203.39371	2.4
209.11743	24.3
217.92007	2.3
227.12776	25.4
244.10637	2.4
277.14407	8.1
295.15427	16.6
313.16702	2.4
322.60846	2.1
323.14941	36.8
341.15945	20.1
455.19165	6.4
471.91650	2.1
496.97144	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	508.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03101	1.2
53.03935	2.2
55.01867	1.6
55.05505	4.5
67.05492	4.3
69.03412	4.6
70.30944	2.6
70.31342	2.2
71.04973	3.2
79.05485	7.7
81.03394	1.1
81.07047	4.7
81.94218	1.0
83.04979	3.1
87.04446	2.1
91.05478	8.2
93.06491	1.7
93.07050	27.5
95.04953	2.9
95.08634	1.2
97.02892	1.4
97.06544	5.3
99.04437	6.7
101.06048	1.1
105.07034	42.7
107.04956	2.7
107.08595	26.2
109.06507	2.9
115.03931	1.2
115.05422	1.4
117.07008	5.3
119.08587	16.4
121.06504	38.2
121.10148	25.4
129.07103	1.1
130.07747	1.9
131.08560	5.7
135.08072	21.9
135.11714	8.0
141.05341	1.2
143.08482	1.3
143.13322	1.0
143.50725	1.0
145.06450	1.2
145.10132	54.0
147.11694	11.1
149.05928	1.1
149.09625	25.9
150.09906	1.3
155.07048	1.1
155.08533	2.1
163.11191	75.7
171.06438	1.3
173.09604	11.0
181.12160	8.1
187.06059	1.3
191.10674	100.0
192.11049	1.4
209.11739	25.1
210.77600	1.1
227.12779	31.1
243.10141	1.0
265.77136	1.1
277.14459	5.9
295.15344	9.7
305.13831	2.3
313.16241	2.0
323.14908	56.6
341.15955	35.0
455.19058	7.5
473.19901	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	507.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.01877	1.8
55.05515	17.7
57.03429	3.4
57.07081	50.4
61.62850	0.8
65.03932	2.5
67.05511	56.3
68.45997	0.7
69.07073	23.3
69.20413	7.7
71.04979	3.4
71.08636	34.0
79.05499	29.8
79.05834	0.5
81.03410	2.4
81.07060	80.9
83.04973	6.1
83.08157	1.3
83.08627	21.8
85.06538	3.3
85.10190	18.5
91.05486	20.3
93.07053	40.8
95.04967	4.6
95.08615	43.7
97.06540	8.0
97.10178	8.3
98.20772	1.4
99.08087	1.8
99.11738	1.5
105.04529	1.6
105.07060	6.4
107.08600	21.5
109.06560	1.7
109.10165	15.6
111.08074	3.9
111.11733	3.1
117.07030	7.6
119.08604	1.7
121.06528	1.2
121.10168	11.2
122.03642	0.8
123.08066	1.4
123.11713	9.1
131.08577	6.9
133.10149	8.3
134.51736	0.8
135.08072	1.8
135.11670	5.2
137.13251	3.5
140.40431	0.8
147.11740	1.0
149.12073	1.5
149.13264	22.1
151.11206	1.7
155.62318	0.8
159.11700	10.7
164.79433	0.8
175.79565	0.8
177.12782	3.6
195.13820	13.1
202.94499	0.8
213.14928	1.7
221.22687	1.8
239.23679	11.3
251.16386	0.8
507.40506	100.0
508.40894	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	507.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77542	1.3
53.03938	3.4
55.01864	3.3
55.05517	24.5
55.44118	1.3
57.03445	8.4
57.07081	12.0
59.05001	2.4
65.03930	2.9
67.05510	100.0
69.03418	2.4
69.07074	19.2
69.65942	1.3
69.66290	9.0
71.04983	2.6
71.08615	5.8
79.05072	2.1
79.05498	32.3
81.03392	2.9
81.07062	65.7
81.24598	1.2
83.04971	3.3
83.08625	18.8
84.15862	1.3
85.06535	4.0
85.10182	2.3
87.04516	1.6
89.14059	1.5
91.05485	26.4
91.69404	1.3
93.06488	2.1
93.07053	37.5
95.04977	3.4
95.08616	37.5
97.10177	12.4
99.08095	3.0
105.07035	15.6
107.08603	28.8
109.10165	71.4
111.08085	4.5
111.11733	1.4
113.09599	1.8
117.07011	6.5
119.08583	17.8
120.08999	1.3
120.67818	1.6
121.06509	4.2
121.10147	17.5
123.11717	9.3
125.09637	7.0
129.07034	1.6
131.08597	15.2
133.10141	15.9
135.08025	3.1
135.11705	13.3
137.09599	2.9
137.13269	4.5
139.11142	1.4
143.08553	2.8
145.10107	10.2
147.11734	8.7
149.05984	5.4
149.13271	12.4
153.05450	2.4
155.10640	5.8
157.10123	1.8
159.11687	10.3
161.13228	5.5
163.14790	5.2
167.26381	1.3
173.11734	13.8
173.13260	8.4
175.14815	2.6
177.12686	2.1
179.26167	1.4
181.08617	4.5
187.14828	4.4
189.11208	7.0
227.12758	8.4
229.14366	41.0
243.21063	3.7
261.22147	40.1
263.23810	2.0
317.24750	6.5
335.25836	21.2
379.29779	1.4
397.30948	4.3
415.31860	5.1
433.33105	4.1
471.34744	2.2
489.35818	28.6
507.36868	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.7
53.37455	1.3
53.69749	1.4
55.01871	2.3
55.05270	2.0
55.05516	28.2
57.03440	5.5
57.07079	6.9
59.04998	3.1
62.00819	1.1
62.73028	1.1
65.03928	2.9
67.05509	100.0
69.03409	2.1
69.06738	1.4
69.07076	16.3
71.04980	4.4
71.08627	3.7
71.10978	2.7
79.05493	31.2
81.03397	1.8
81.07062	63.4
83.08624	17.5
85.06547	3.1
86.04249	1.5
90.38046	1.2
91.05487	21.4
93.06512	1.2
93.07045	35.6
95.04968	2.9
95.08608	41.0
97.06528	3.3
97.10176	18.4
105.07026	15.9
107.04931	1.4
107.08604	26.4
109.10162	58.0
111.08084	3.8
117.07032	7.9
119.08585	18.8
121.10152	18.5
123.08062	1.9
123.11728	10.2
125.09648	11.8
131.08577	13.7
133.10152	12.8
135.08148	2.2
135.11676	11.7
137.09647	3.0
137.13246	4.4
137.70177	1.2
143.08565	2.4
145.10136	12.5
147.11671	8.3
149.13261	8.9
151.11269	1.4
155.10599	6.1
157.10155	2.4
159.11688	9.4
161.13260	5.2
163.14781	3.2
170.61925	1.2
171.10156	1.4
171.11653	3.0
173.11757	13.7
173.13301	6.1
175.14830	2.3
177.16394	1.5
185.13193	1.6
187.14825	4.3
189.11200	7.3
195.13788	1.8
215.97501	1.4
227.12703	8.5
229.14371	30.1
243.21173	4.6
245.22543	1.5
259.20609	3.9
261.22153	33.4
263.23633	2.0
279.23340	2.2
297.05618	1.5
299.23773	1.6
317.24756	4.5
335.25797	20.2
379.30209	2.3
384.62839	1.5
397.30948	5.4
415.31979	6.4
433.33139	5.0
471.34921	3.0
489.35800	31.1
507.36401	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	507.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01861	2.9
55.05514	29.9
57.03436	8.5
57.07081	6.0
59.05001	3.8
60.70871	1.3
65.03941	2.4
67.05509	100.0
69.03426	2.9
69.06729	1.8
69.07072	17.5
69.49428	1.0
71.04996	2.6
71.08634	2.4
77.03923	1.5
79.05499	30.3
81.03423	2.8
81.07062	62.0
83.04964	2.4
83.08624	14.9
85.06535	2.8
85.10185	1.4
91.05484	22.6
93.07049	38.9
95.04991	3.0
95.08614	50.1
97.06549	2.5
97.10181	15.5
99.08121	1.3
105.07039	19.3
107.08598	25.5
109.06525	1.9
109.10163	52.3
111.08084	3.8
117.07055	6.9
119.06074	1.3
119.08575	16.8
121.06521	1.4
121.10152	16.5
123.08054	1.9
123.11699	9.8
125.09628	14.1
129.07028	3.0
131.08574	13.0
133.06503	1.4
133.10147	13.6
135.08069	2.7
135.11705	14.2
137.09645	3.1
137.13226	3.9
139.11172	3.3
143.08592	3.2
145.10109	9.9
147.11691	10.7
149.09653	2.2
149.13293	8.8
153.09131	1.3
155.10703	3.7
157.10123	3.1
159.11670	9.8
161.13286	5.9
163.11241	1.2
163.14861	3.1
169.10068	1.6
171.11732	2.2
173.11760	15.1
173.13277	7.8
175.14842	2.5
177.16379	1.5
179.14365	1.4
185.13243	2.4
187.13379	1.2
187.14893	4.8
189.11139	10.4
195.00336	8.3
197.00751	3.0
199.14912	2.5
227.12778	10.2
229.14340	30.0
235.17142	1.2
243.21111	3.5
259.20691	2.7
261.22177	27.4
263.23746	1.8
273.21902	1.8
277.21567	1.9
279.23114	3.2
289.21674	1.6
313.27020	1.8
317.24716	4.5
333.24249	2.7
335.25790	21.3
371.27948	1.3
379.29953	2.8
397.30826	6.2
415.32227	7.1
417.29980	1.4
433.33255	6.3
471.34641	2.9
489.28873	2.5
489.35770	38.5
507.25681	2.7
507.36646	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	507.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01857	2.7
55.05268	1.9
55.05512	25.2
56.01421	1.3
56.07327	1.3
57.03437	8.7
57.07069	4.8
59.04980	2.8
65.03934	3.7
67.05505	100.0
69.07074	17.6
70.64450	4.2
71.04988	4.8
71.08624	2.6
79.05495	28.5
81.03426	1.4
81.07058	64.4
83.04999	2.7
83.08623	13.9
85.06532	4.0
85.34928	1.2
90.31818	1.5
91.05476	19.9
93.06492	2.5
93.07052	36.5
95.04937	2.8
95.08608	48.4
97.06527	2.5
97.10168	13.5
97.89679	1.2
99.08075	2.5
102.30318	1.3
105.07036	16.1
107.08602	23.1
109.06547	2.0
109.10162	69.7
111.08112	3.7
117.07034	5.8
119.08584	19.0
121.10131	18.7
123.11705	9.3
125.09615	11.3
129.07054	1.7
131.08588	9.0
133.10156	12.7
135.08051	1.9
135.11708	13.0
137.09639	3.1
137.13292	2.5
139.11183	1.6
143.08636	1.8
145.10114	8.4
147.11682	10.6
149.08411	1.3
149.13260	9.5
151.11243	1.6
151.14850	1.9
155.10669	5.7
157.10065	2.4
159.11684	8.6
161.13275	5.8
163.14810	3.0
166.02275	1.2
171.10179	1.7
171.11696	1.6
173.11729	12.5
173.13274	8.3
175.14757	3.0
177.16402	1.5
185.13242	2.2
187.14812	3.4
189.11282	8.2
199.14760	1.7
227.12784	12.1
229.14340	40.3
231.15887	3.0
243.21095	6.0
259.20547	2.9
261.22162	32.4
263.23727	1.7
299.23746	1.7
317.24759	4.8
333.24371	1.8
335.25851	19.4
379.30225	2.7
397.30896	5.8
415.31992	9.0
417.68311	1.4
433.33127	6.1
471.34799	4.2
489.35770	34.4
490.36502	2.0
507.36478	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	507.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68484	2.3
53.03939	3.8
55.05517	15.8
57.03425	6.5
57.26417	2.3
60.81174	2.2
61.56242	2.2
62.09455	2.8
63.63963	2.3
67.05177	3.6
67.05513	40.3
67.14497	2.2
69.07085	11.5
69.95289	11.5
74.51663	2.4
79.05503	23.1
81.07065	39.6
83.08621	5.6
88.85276	2.2
91.05499	12.7
93.07062	39.0
95.08611	31.1
96.57497	2.2
96.68453	2.4
97.10151	2.4
98.97870	4.0
98.98480	57.6
104.93289	2.5
105.07065	12.7
107.08612	16.7
109.10177	13.6
119.08576	10.7
121.10162	13.5
123.11689	5.9
131.08549	11.0
133.10159	9.1
135.11699	11.1
145.10138	5.4
147.11685	5.3
149.13315	5.2
155.01047	16.0
157.90167	2.5
159.11765	3.8
159.92241	3.0
161.13268	4.5
163.14873	6.4
173.02161	6.7
173.13271	3.1
175.14790	2.9
217.48425	2.3
229.04788	3.5
243.21085	6.2
261.22189	12.4
305.48004	2.4
317.24814	10.4
335.25815	100.0
471.24680	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.01872	2.7
55.05514	26.9
57.03442	6.6
57.07088	5.2
59.04990	2.6
65.03936	3.5
67.05508	100.0
68.05834	1.5
69.03419	2.1
69.07075	15.8
69.99095	1.0
71.04997	2.8
71.08626	3.3
79.05496	30.5
81.03439	1.5
81.07059	58.4
83.04967	2.1
83.08628	11.6
85.06521	3.3
91.05490	18.0
93.06483	2.4
93.07048	35.0
95.04970	3.0
95.08611	43.4
97.06530	4.1
97.10174	11.1
99.08139	1.3
105.07031	18.2
107.08600	22.6
109.06535	2.1
109.10162	61.2
111.08091	5.3
117.07029	7.4
119.08601	16.7
119.09395	2.0
121.10138	17.2
123.11704	8.2
125.09597	8.2
127.11259	1.1
129.07002	1.8
131.08542	11.0
133.10159	12.8
135.08034	3.0
135.11693	12.9
137.09615	2.9
137.13213	3.8
143.08572	3.2
145.10120	12.4
147.11673	8.9
149.13269	8.0
153.09077	2.6
155.10698	4.2
157.10138	3.3
159.08043	1.7
159.11691	6.6
161.13234	5.7
163.11247	1.2
163.14815	3.8
171.10216	1.8
171.11664	3.5
173.11743	14.8
173.13278	4.6
175.14836	3.2
183.11745	1.3
185.13275	2.9
187.14838	4.3
189.11203	7.7
189.16330	1.6
195.00293	3.1
199.14796	2.8
201.16376	2.1
209.15425	1.1
223.33997	1.5
227.12775	11.9
229.07146	1.2
229.14377	32.7
229.48245	1.3
231.15863	2.9
243.21082	3.7
259.20563	2.8
261.22104	22.2
279.23203	1.5
285.22073	1.4
291.23129	1.5
299.23679	1.7
303.23087	1.3
317.24506	5.5
335.25809	18.4
351.25388	1.3
379.29944	1.8
397.31079	8.7
415.32074	7.7
433.33212	4.4
471.34607	2.9
489.35764	36.5
507.25516	1.5
507.36691	25.4
525.46515	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
54.00727	0.5
55.05505	2.1
55.63782	0.5
56.05024	1.4
57.03438	1.0
58.06602	1.9
59.30785	0.5
60.08166	16.7
65.03958	0.5
67.05180	0.6
67.05511	9.0
68.05853	0.9
69.07064	1.3
70.80588	0.8
70.80900	0.6
71.07381	7.5
79.05479	2.5
80.05794	0.5
81.07054	4.6
83.08627	0.9
86.09708	48.4
91.05470	2.1
93.07040	2.1
95.08595	3.2
98.98474	4.8
104.10746	100.0
105.07019	2.0
107.08596	1.4
109.10146	3.1
110.10494	1.2
119.08589	1.9
121.10126	0.8
125.00009	30.2
133.10149	1.2
135.11682	0.9
145.10121	0.7
146.10524	0.5
147.11731	0.9
148.11992	0.6
159.11569	0.5
161.13191	0.7
173.11737	0.8
184.07341	99.3
210.85757	0.5
215.78854	0.5
229.14394	1.5
230.14601	0.6
258.11041	1.1
259.20627	1.4
260.20996	1.6
295.99200	0.5
323.25839	1.5
396.64706	0.7
488.31436	8.6
506.32428	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	505.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.3
53.00309	0.9
53.03942	5.2
53.44566	0.7
54.11501	0.6
55.01868	2.7
55.05269	1.4
55.05514	18.0
57.03444	2.1
57.07081	48.5
57.43368	0.7
59.05008	1.2
65.03952	1.8
67.05510	48.4
69.03439	1.9
69.07072	12.9
71.01366	0.9
71.05002	2.1
71.08639	34.5
71.51000	0.9
79.05503	21.2
81.03424	100.0
81.07062	39.0
83.04986	4.3
83.08630	36.3
85.06541	1.6
85.10188	18.6
85.10670	1.3
91.05483	27.0
91.06017	1.4
93.07055	14.6
95.04449	0.6
95.04977	29.2
95.08618	37.6
95.41280	0.7
97.02906	2.4
97.06546	1.8
97.10181	10.0
99.08105	3.4
99.11753	1.6
103.05485	0.7
105.04536	1.4
105.07034	18.0
105.07697	1.3
107.04971	7.4
107.08613	7.2
109.06535	2.9
109.10167	21.8
111.04442	1.3
111.08094	9.2
111.11759	2.6
115.05475	1.9
117.07042	1.8
119.05009	1.2
119.08594	16.2
121.06543	2.6
121.10156	7.2
123.04418	1.4
123.08085	1.8
123.11700	6.7
125.09696	2.0
125.13309	2.0
127.48926	0.8
128.06247	1.1
129.07025	9.3
131.08585	10.3
133.06520	4.7
133.10127	6.9
135.11725	3.6
137.05931	0.7
137.09657	2.4
137.13261	2.9
139.14844	0.8
141.06940	1.0
141.09210	1.2
142.07826	2.6
145.10202	2.6
147.08098	2.6
147.11708	7.6
149.09650	4.8
149.13316	1.3
151.11295	1.0
157.10146	9.9
161.13329	1.9
165.12827	2.5
173.11758	1.5
173.13248	0.8
175.11191	11.9
175.14813	0.8
177.12689	0.8
179.14325	8.4
185.13359	1.1
186.75845	0.8
189.11433	1.0
193.12263	64.4
203.14323	0.8
221.22733	1.0
227.12828	1.5
231.13908	1.5
239.23698	10.0
249.14915	7.9
267.04608	0.7
277.21686	5.9
487.34152	0.8
505.39114	99.9
506.39200	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	505.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.8
55.01875	4.5
55.05516	28.9
57.03438	2.3
57.07083	22.0
65.03948	2.0
67.05510	34.2
68.68570	0.6
69.03436	1.3
69.07074	34.6
69.19681	7.3
69.89045	0.6
71.05006	1.9
71.08638	15.2
73.04778	1.4
79.05145	0.5
79.05499	21.2
81.03426	25.3
81.07062	45.5
83.05006	4.0
83.08628	36.6
85.06563	1.7
85.07840	0.7
85.10200	7.6
91.05478	18.2
93.07052	26.8
95.04971	9.6
95.08613	23.1
97.06526	4.9
97.10175	18.1
99.08080	1.8
101.58538	0.8
105.07024	8.8
107.04961	2.3
107.08601	14.9
109.06551	1.5
109.10174	7.0
111.08091	5.3
111.11712	6.8
115.05417	1.1
117.06994	4.6
119.08585	4.7
121.06524	2.0
121.10160	10.5
123.11745	3.1
124.69440	0.8
125.09642	0.9
125.13298	1.7
129.07024	3.5
131.08571	5.4
133.10143	6.0
135.08098	1.1
135.11720	6.1
139.11209	1.3
143.66118	0.8
147.08054	1.2
147.11707	3.8
149.09662	1.4
149.13264	13.4
151.11168	1.1
156.44775	0.8
157.10168	3.8
159.11676	4.3
161.13289	0.7
165.12825	0.8
167.05560	1.2
167.14095	0.9
175.11255	3.3
177.12737	1.9
193.12253	12.2
195.13872	10.4
205.12404	0.8
219.21246	1.0
237.22087	9.9
239.23764	2.8
249.14885	1.1
505.38916	100.0
506.39624	1.6
523.12708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.5
55.05513	15.1
57.03435	9.1
57.07071	2.1
59.04998	4.2
62.55687	1.0
65.03947	4.2
67.05508	100.0
69.03413	1.1
69.07071	7.5
69.16074	11.1
71.05003	5.0
79.05497	29.7
81.07063	32.3
83.04981	2.2
83.08616	8.8
85.06558	3.4
90.50497	0.9
90.54825	1.0
91.05486	33.2
93.07047	29.9
94.55231	1.0
95.04967	4.0
95.08612	19.4
97.06516	1.8
97.10188	3.2
98.98471	8.2
105.07032	33.6
107.08609	18.9
109.06559	1.6
109.10162	68.1
111.08092	2.7
116.06225	1.3
117.07014	9.4
119.08582	34.8
121.10158	10.4
123.08085	1.3
123.11691	1.2
125.09653	3.3
127.11192	1.8
128.06250	1.2
129.05545	1.8
129.06976	5.1
130.07780	1.2
131.08586	14.2
133.10141	25.9
135.08023	1.6
135.11702	9.6
137.09622	3.9
143.08607	5.1
145.10133	10.9
147.08032	1.2
147.11696	24.2
147.12817	1.8
149.09593	2.0
149.13306	7.1
155.01085	1.8
155.10693	4.3
157.10165	4.7
159.11697	11.3
161.13278	17.1
163.11171	1.6
163.14920	1.5
169.10205	1.2
171.11664	7.4
173.11751	24.1
173.13275	7.4
175.14836	7.0
185.13321	5.2
187.14818	2.9
189.11299	1.7
189.16376	1.2
199.14842	4.1
213.16408	2.2
215.18025	1.5
227.12759	5.9
229.12112	2.5
229.14369	45.2
231.21100	5.7
241.19522	18.5
259.20593	52.2
261.22070	2.8
275.19952	1.2
277.21539	1.7
315.23230	3.1
333.24225	32.4
395.29749	1.5
413.30447	1.9
487.34143	9.9
505.28772	2.9
505.35535	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.0
55.01864	2.7
55.05515	8.6
57.03446	3.9
57.07078	3.6
67.05508	14.9
69.03424	11.0
69.07074	15.1
71.04989	8.3
71.50129	3.4
73.02953	2.3
73.19972	1.8
79.05491	6.8
81.03421	7.1
81.07063	25.3
83.04998	3.6
83.08629	6.7
85.02908	24.7
85.06554	15.8
87.00810	10.7
91.05481	8.0
93.07050	19.0
95.08054	3.8
95.08608	38.1
97.02899	10.4
97.06532	8.6
97.10146	2.0
99.04484	2.7
99.08048	2.9
101.06026	5.2
105.01884	9.8
105.07026	13.6
107.08608	43.4
109.02878	6.7
109.10166	32.8
109.10865	3.5
111.08099	5.4
113.09680	2.3
117.07046	2.6
119.08595	18.2
121.10146	58.4
123.11725	17.8
125.09650	3.9
125.13291	2.3
127.03922	13.0
133.10132	22.8
135.11717	13.6
137.05997	6.5
137.13226	13.5
145.04997	4.4
145.10167	2.0
146.53616	2.1
147.11705	20.6
149.13255	30.5
151.14838	2.4
155.06967	2.1
159.02896	2.7
161.13248	11.2
163.14824	10.1
165.12772	8.8
167.14339	31.2
175.14851	5.0
177.16405	11.8
181.15921	4.4
195.17407	2.5
201.14958	2.6
203.17970	22.3
204.18385	6.1
221.19034	44.7
222.19460	1.9
231.05051	2.3
239.20065	39.4
244.15652	2.7
257.21133	100.0
276.81638	2.0
320.49207	2.1
442.92413	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	505.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52991	3.6
53.03944	12.3
55.01868	3.9
55.05273	6.2
55.05517	87.2
57.07080	41.7
58.56672	3.5
67.05506	29.8
69.03435	5.2
69.07072	26.3
71.08629	13.5
76.94091	4.2
77.78257	3.7
79.05502	50.5
81.03419	38.6
81.07067	38.1
83.04984	73.1
83.08633	22.1
83.99882	3.8
84.16245	3.2
84.41692	3.5
85.10192	7.1
91.05482	41.3
93.07055	31.8
95.01331	10.5
95.04974	13.7
95.08604	18.7
97.06558	21.4
97.07060	3.8
97.10165	17.4
98.20770	6.5
99.04492	4.6
103.05461	10.2
105.07040	71.4
107.04984	17.6
107.08621	17.3
109.06516	7.5
109.10172	9.2
111.04433	4.2
111.08041	5.2
115.05446	11.9
116.06239	5.4
117.07005	20.0
119.08602	18.4
121.06511	14.0
121.10143	9.7
123.04405	10.1
123.08099	18.7
125.09716	4.1
127.11127	7.9
128.06265	22.0
129.07011	33.5
131.04965	7.9
131.08582	32.9
133.06468	19.7
133.10127	7.7
135.04428	8.3
141.06999	37.4
142.07813	18.0
143.08559	31.4
144.09433	4.1
145.06470	17.0
145.10152	20.6
147.04405	8.6
147.08008	17.7
147.11714	4.1
149.05991	6.4
149.09630	6.6
151.07565	9.7
153.07031	21.7
154.07777	46.7
155.08597	34.0
156.09377	13.2
157.06557	8.2
157.10153	20.1
158.07275	7.4
159.04437	7.5
159.08061	14.7
159.11734	13.0
165.05496	8.0
165.06960	5.8
166.07729	4.7
167.07217	3.7
167.08591	10.4
169.06593	3.8
169.10139	100.0
171.08063	11.1
171.11707	8.9
173.05969	11.9
173.09671	22.0
175.11160	5.8
176.99228	26.2
179.08539	20.5
181.06393	4.6
181.10197	5.0
182.07359	20.3
183.08008	10.6
185.06049	5.4
187.07613	8.8
187.11182	31.0
189.09184	5.0
193.12256	16.2
195.00342	45.5
197.09636	92.4
198.10071	5.1
199.11227	13.3
201.09128	21.2
213.09140	7.8
215.10684	73.2
225.09109	61.0
233.11778	12.6
239.23883	4.1
243.10188	96.9
243.12616	8.0
248.82137	3.5
249.14926	3.5
261.11270	50.5
269.03940	4.0
311.25748	17.1
388.77939	3.6
396.06973	3.7
413.20724	11.4
487.24323	5.8
505.25604	80.4
505.38873	38.6
507.08234	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	505.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.7
55.01867	4.6
55.05506	11.4
57.03440	5.5
57.07074	3.5
61.05079	2.6
67.05522	15.0
69.03439	13.6
69.07070	16.0
70.68147	8.8
71.04995	14.6
71.65553	2.7
74.32368	2.8
79.05486	9.1
79.51444	3.0
81.03410	10.6
81.07069	31.4
83.04982	6.0
83.08619	11.2
83.40821	2.6
85.02898	26.2
85.06545	18.7
87.00826	12.2
89.33287	3.1
91.05486	9.5
93.07062	22.7
95.04956	3.4
95.08617	49.2
97.02898	9.3
97.06551	8.8
97.10197	5.3
99.04442	5.7
99.08105	5.2
101.06056	4.7
105.01872	8.9
105.07031	16.5
107.08604	52.4
109.02881	9.7
109.10168	33.6
111.08072	6.7
111.58056	2.8
119.08586	27.1
121.10153	55.2
123.08112	3.5
123.11730	17.0
125.09618	3.8
127.03912	13.9
130.90114	2.5
133.10178	23.1
134.10266	2.6
135.11688	17.5
137.05994	5.6
137.13278	13.9
145.04967	7.7
147.11700	25.3
148.12029	7.1
149.13258	37.3
150.57651	3.3
151.11220	3.3
151.14838	3.7
159.02901	7.0
161.13277	14.9
163.14830	11.0
165.12761	9.4
167.14349	34.1
174.20009	2.8
175.14836	5.5
177.16371	13.3
179.14322	4.8
181.15849	4.3
203.18005	26.6
204.18338	15.3
221.19035	50.0
231.04889	3.3
239.20079	38.8
256.97549	3.0
257.21130	100.0
462.38284	2.9
505.20377	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	505.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	12.5
55.01874	11.9
55.05504	23.5
57.03448	10.9
57.07082	8.8
61.02930	8.4
64.58459	6.9
67.05499	35.0
69.03443	28.7
69.07095	29.7
70.84502	12.3
70.84839	13.2
71.04996	18.6
73.02925	6.2
79.05499	25.9
81.03418	17.3
81.07063	65.9
82.07417	7.3
83.04988	12.2
83.08625	16.2
85.02907	57.0
85.06549	22.5
87.00838	22.5
91.05475	28.4
93.07046	38.0
94.07389	6.5
95.08612	89.2
96.08955	8.1
97.02904	21.9
97.06540	28.1
99.04437	9.5
99.08072	7.4
105.01864	26.9
105.07047	50.1
106.07366	10.1
107.08627	72.7
109.02876	17.6
109.10150	51.8
111.08075	8.5
119.08583	45.5
121.10136	59.2
123.11691	29.2
127.03886	32.2
128.04182	8.8
133.02834	6.5
133.10144	35.1
135.08028	7.0
135.11711	29.5
137.05997	26.9
137.13289	16.5
145.04953	13.0
145.10127	9.4
147.04581	7.5
147.11713	64.4
148.12044	29.2
149.13284	36.7
161.13252	24.3
165.12720	13.4
167.14273	27.1
175.07553	6.2
175.14810	11.0
177.16426	17.3
181.15816	7.1
203.17978	70.7
204.18323	97.2
215.05260	11.0
215.07175	6.1
220.68222	6.0
221.19026	66.9
222.19461	11.4
231.04967	6.4
239.20071	64.7
257.21152	100.0
328.82062	6.9
487.16748	7.0
505.17307	25.5
508.27966	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.1
55.05503	4.3
57.03444	9.0
57.06631	1.7
67.05177	2.4
67.05507	23.7
69.07074	7.6
70.54478	4.4
71.05013	1.9
72.61004	1.4
75.04453	3.2
76.90959	1.4
79.05495	22.6
81.03422	3.3
81.07056	24.1
83.05003	1.9
85.06570	3.1
91.05482	32.9
93.07056	30.5
95.04939	1.9
95.08617	20.1
97.06525	5.0
98.98470	81.5
100.82892	1.5
103.05415	1.7
105.07039	35.5
107.08597	16.2
109.06490	2.0
109.10152	5.8
113.00677	1.5
115.05434	2.5
117.07012	10.5
119.08585	28.3
121.10159	12.8
123.11661	2.1
129.05484	4.6
129.06992	5.7
130.07794	1.6
131.08582	18.3
133.10130	22.7
135.11670	10.5
143.08545	7.7
143.27675	1.6
145.09041	2.4
145.10123	19.9
147.11699	19.5
149.13290	7.7
155.01041	14.0
155.07022	2.3
157.10129	6.7
159.11740	11.2
161.13261	21.6
163.14847	4.6
171.11661	10.5
173.02112	10.0
173.13266	12.4
175.14822	15.3
185.13316	9.3
187.14803	4.0
189.12694	2.6
199.14807	5.0
215.14375	1.7
215.17929	6.8
217.19482	5.4
217.82776	1.8
229.04752	6.0
231.21150	3.2
241.19530	42.9
242.19783	2.5
243.21072	2.8
247.05766	8.7
259.20584	28.7
275.19904	1.8
286.33441	1.8
315.23215	9.2
333.24252	100.0
334.24664	3.2
413.20929	3.1
487.24377	4.0
510.21432	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.9
55.01860	6.5
55.05502	11.7
57.03439	5.4
63.65779	4.0
64.00990	3.8
67.05492	16.2
69.03430	29.3
69.07050	12.7
71.04964	4.9
71.51052	4.1
73.02917	9.0
79.05481	13.3
79.34727	4.0
81.03433	23.5
81.07068	37.7
83.04991	5.8
83.08598	5.3
85.02431	7.0
85.02906	76.3
85.06535	18.1
87.00840	35.0
91.05475	18.4
93.07036	22.5
95.08608	33.3
97.02888	35.2
97.06514	12.2
99.04431	11.6
105.01876	26.2
105.07042	45.2
107.08598	26.1
109.02881	24.5
109.04577	4.6
109.10130	17.6
112.40401	4.5
117.01846	6.1
119.08575	24.6
121.06509	4.9
121.10139	17.3
123.11697	7.7
127.03922	48.7
131.08595	8.0
133.10175	20.5
135.11702	6.2
139.07584	6.6
145.04956	23.5
145.10136	9.4
147.11700	60.7
157.10092	6.4
159.02879	15.6
159.08102	5.4
159.11731	7.6
161.09607	6.3
161.13281	20.0
163.11078	6.1
173.09625	4.6
175.14944	6.6
181.12054	4.9
197.19629	4.2
203.14235	10.3
203.17943	100.0
205.19446	5.9
221.15411	11.2
221.19063	12.1
231.05035	14.1
312.13239	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	504.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.0
55.05507	6.3
56.52867	1.9
57.07071	5.5
65.03939	2.6
67.05509	15.1
68.20592	1.8
69.03440	2.2
69.07072	13.9
69.97423	6.3
69.97838	4.0
71.04971	4.4
71.97748	2.0
79.05492	15.6
81.03421	3.8
81.07057	33.3
83.08629	5.6
85.02900	4.9
85.06554	4.3
87.00832	1.9
91.05481	29.2
93.07047	100.0
95.04965	2.0
95.08614	38.0
97.06530	3.8
97.10202	2.4
99.08083	4.3
105.07034	62.9
107.08601	70.4
109.10165	31.5
119.08585	64.8
121.10162	33.4
123.11695	7.8
128.42714	1.7
131.08580	5.7
133.10135	72.8
135.11710	10.5
137.13235	2.0
145.10081	3.0
147.11700	65.0
149.13321	2.3
151.11197	42.7
151.14815	2.9
159.11688	2.4
161.13263	42.0
163.13464	2.1
163.14825	41.3
165.12778	7.8
168.43610	2.1
175.14856	6.5
182.95451	1.9
183.82155	1.8
203.17963	79.9
221.19055	11.9
318.00336	2.2
441.41586	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	504.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.6
55.05515	2.8
56.05034	1.5
56.77432	0.6
57.03438	0.7
58.06592	1.1
60.08167	17.5
60.82981	0.6
67.05508	11.9
68.05862	0.9
69.07065	2.2
71.07381	6.9
71.51492	1.2
75.16145	0.6
78.04662	0.6
79.05495	5.6
81.07069	4.7
83.08630	0.9
86.09709	53.3
91.05466	3.9
93.07048	3.8
95.08617	4.2
97.06529	0.6
98.98468	6.4
104.10748	100.0
105.07037	2.1
106.07359	1.0
107.08593	2.3
109.10162	5.7
110.10493	1.3
117.07003	1.0
119.08604	3.0
120.08965	0.9
121.10137	1.3
125.00014	30.3
131.08591	1.1
133.10117	1.6
135.11731	1.0
145.10112	1.3
146.10466	0.6
147.11656	0.6
149.09583	0.7
159.11710	0.8
184.07352	99.3
189.34161	0.7
229.14308	1.5
257.18790	0.7
258.10916	1.5
258.19241	0.7
269.45499	0.7
275.20087	1.1
276.20270	1.9
439.73444	0.6
486.29633	7.7
504.30588	21.5
510.10400	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.2
55.05500	4.0
67.05498	5.6
69.03433	6.0
69.07062	11.5
70.42257	7.4
70.42616	6.0
71.04971	3.9
79.05510	21.0
79.52470	2.6
81.03396	4.7
81.07059	63.6
83.04937	3.3
84.36579	2.6
85.02920	14.0
87.00832	7.0
91.05473	9.9
93.07050	14.2
95.08607	17.6
97.02855	5.1
102.49678	2.8
105.01852	9.9
105.06528	2.3
105.07044	25.5
107.07880	4.8
107.08599	80.6
109.10153	18.9
119.08582	35.9
121.10128	7.7
123.11709	6.8
127.03912	12.9
127.11192	5.2
128.06209	4.9
129.55905	2.6
131.04872	3.8
133.10089	16.6
135.11716	16.5
135.12584	3.4
142.07806	3.3
145.04956	4.0
147.11670	25.5
161.13240	8.1
163.13457	5.5
163.14824	100.0
197.09607	3.1
203.17950	61.6
221.18976	4.4
249.06012	3.2
370.49963	3.2
486.19974	4.3
504.20819	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	504.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13295	0.6
55.05512	3.1
59.05004	0.7
61.02905	0.7
69.03439	3.9
69.07062	1.0
69.61545	3.4
70.06593	0.8
71.08362	0.5
71.08636	4.9
72.08141	1.3
73.02930	0.7
81.03436	1.1
81.07050	1.6
83.04974	2.6
84.08134	1.3
85.02920	4.4
86.06069	5.6
93.14497	0.6
95.08608	1.2
96.08121	1.9
97.02883	2.3
97.06540	0.8
98.06050	0.7
98.09682	3.1
99.04504	0.6
99.08109	2.4
101.06030	4.1
105.07061	0.8
107.20251	0.6
108.08114	1.1
111.04477	3.3
116.10744	15.1
119.08571	0.7
122.09680	0.8
127.03925	1.9
128.52496	0.6
129.05508	3.3
136.11266	0.8
136.93507	0.8
140.68690	0.6
142.08580	1.2
143.10663	1.8
147.06528	1.6
148.73248	0.6
154.15962	3.0
166.15929	2.4
170.15292	0.6
178.15866	0.9
196.16972	6.3
203.17953	0.6
208.13364	0.6
214.18031	100.0
226.14360	2.8
244.15446	5.9
303.21887	0.6
342.22745	8.1
376.23386	13.1
406.20691	1.3
504.28458	3.0
531.55829	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	16.8
55.05508	18.4
67.05502	40.8
69.03410	27.4
69.07047	28.0
70.95480	21.1
70.95828	29.8
77.86903	13.7
81.03427	20.0
81.07060	96.7
85.02911	83.1
85.04889	15.6
87.00851	30.3
91.05450	17.8
93.07032	56.8
95.08617	76.6
97.02863	45.0
99.04459	19.1
105.01843	26.8
105.07023	63.7
107.08602	43.9
109.02903	27.9
109.10157	77.1
119.08581	83.4
121.10150	30.5
127.03889	57.7
131.08557	15.7
133.10123	43.6
135.11642	25.3
145.05006	28.8
145.10104	35.6
147.11678	90.3
159.02940	21.6
161.13269	30.8
196.96204	13.7
203.17908	100.0
221.19150	17.5
277.58093	14.9
454.45889	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12590	19.2
62.37397	20.7
69.84252	21.2
70.58088	51.5
79.05484	30.9
81.07043	53.3
85.02926	34.3
93.07034	58.3
95.08595	64.1
96.11826	21.7
100.49136	18.6
105.07012	55.4
107.08569	33.7
109.10148	94.8
118.36170	18.9
119.08566	59.5
133.10146	49.4
146.90172	20.8
147.11658	63.5
201.96315	20.1
203.17947	100.0
248.64539	22.8
450.42038	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	503.446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56330	1.3
51.40023	1.1
54.87530	1.1
55.05522	7.7
57.07073	3.3
60.58584	1.1
67.05511	13.0
69.07068	5.1
69.44090	1.9
69.44495	7.2
71.08630	1.8
79.05125	1.2
79.05502	12.1
81.03407	3.5
81.07060	24.6
83.08619	4.4
85.54918	1.2
91.05473	10.6
91.24451	1.1
93.07052	19.6
95.08614	51.4
97.10172	3.9
105.07043	25.7
107.08598	26.7
109.09475	2.1
109.10169	27.7
110.35538	1.2
119.08592	20.0
121.10149	34.4
123.11705	3.4
125.58434	1.3
133.10143	25.5
135.11688	7.2
140.85648	1.2
143.40332	1.4
145.10075	1.4
147.11691	20.6
149.13306	1.8
161.13260	14.1
163.06184	1.3
163.14842	3.9
175.14859	4.1
193.30269	1.2
203.17972	100.0
221.18953	1.7
444.38635	2.2
503.37079	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	503.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.6
54.54950	1.3
55.05510	8.6
57.07071	2.5
57.89260	1.4
67.05505	16.0
69.07066	8.5
71.08636	2.1
71.50687	2.2
79.05501	8.6
81.03411	4.0
81.07064	26.5
83.08614	5.8
91.05458	10.7
93.07052	18.4
95.04955	1.5
95.08611	58.0
97.10176	3.0
105.07029	23.8
107.08601	31.8
109.10164	27.2
119.08575	19.3
121.10158	29.0
123.11729	4.9
131.08543	3.0
133.10143	24.3
135.11748	4.5
145.10161	3.6
147.11702	22.2
149.13289	1.8
161.13266	14.5
163.14827	5.2
169.76219	1.5
175.14838	3.1
203.17964	100.0
280.75253	1.4
392.91144	1.6
503.37030	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	503.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.1
53.03940	5.7
55.01875	2.1
55.05517	44.6
57.03447	2.5
57.07079	15.4
65.03944	1.9
67.05176	1.3
67.05508	14.4
69.03436	2.4
69.07075	44.7
71.04996	1.7
71.08634	10.9
79.05504	14.1
81.03426	100.0
81.07064	14.7
83.05000	4.5
83.08624	55.2
85.10201	3.4
88.70478	1.0
91.05486	23.0
93.07057	9.2
95.04974	26.8
95.08620	4.6
97.02924	2.6
97.06528	1.3
97.09548	1.8
97.10176	33.7
98.20652	2.0
99.28180	0.8
102.02001	0.8
102.86750	0.8
103.05511	1.4
105.07035	14.0
107.04955	5.0
107.08604	3.2
109.06520	2.5
109.10163	1.8
111.04441	2.0
111.08084	8.2
111.11728	11.0
115.05442	1.1
117.07071	1.7
119.04913	1.3
119.08594	12.1
121.06532	3.6
121.10154	6.4
125.13264	1.7
129.07019	9.4
131.08578	9.2
133.06493	2.2
133.10135	4.1
137.09637	2.2
142.07813	2.8
145.10156	1.0
147.08073	3.3
147.11716	6.1
149.09647	4.2
157.10147	10.2
161.09674	0.9
165.12807	1.9
175.11197	11.9
176.87550	0.9
193.12263	35.8
205.12383	0.9
216.91663	0.9
231.13545	1.0
231.56017	0.8
237.22099	2.0
249.14905	6.8
355.56415	1.0
503.37384	73.7
504.37427	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.1
55.01875	9.2
55.05505	16.1
57.01717	3.6
57.03442	7.4
59.05002	4.5
61.02903	4.6
62.96041	3.6
67.05502	11.1
69.03439	30.3
69.07059	7.1
71.04996	17.5
71.50808	7.3
73.02924	5.8
79.05490	15.1
81.03424	28.8
81.07057	43.3
83.04970	10.6
84.08145	4.6
85.02912	68.2
85.06546	37.1
85.72724	3.9
87.00829	21.8
91.05459	23.8
93.07054	43.9
95.04967	8.3
95.08609	43.6
97.02901	22.1
97.06523	15.2
99.04465	14.2
99.08064	5.8
105.01875	17.6
105.07035	52.5
107.08611	59.2
109.02905	16.4
109.06513	7.9
109.10201	19.9
111.04451	6.2
111.08083	17.4
117.06983	7.5
119.08582	50.5
121.06520	4.4
121.10160	32.0
123.08109	6.5
123.11739	24.0
127.03938	34.1
129.01764	5.7
129.07082	4.3
131.08562	11.2
133.10149	47.0
135.11678	8.6
136.06186	26.5
137.05936	30.6
137.09601	4.1
142.20265	3.7
142.38747	3.3
145.04990	10.4
145.10126	32.8
147.11681	33.8
149.13277	31.4
151.11172	7.0
159.02933	10.8
159.11700	35.9
161.06000	7.2
161.13271	69.5
163.14833	15.3
173.13309	12.1
175.07567	6.3
175.14851	7.5
179.14359	7.1
189.16405	55.0
201.16389	61.2
207.17447	96.4
219.17461	40.1
225.18500	100.0
226.18912	4.4
237.18523	27.3
255.19577	8.6
309.07300	4.3
311.12817	15.3
323.12701	5.3
384.23611	5.2
404.86298	3.8
415.18216	7.3
503.23245	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	503.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90778	1.6
53.03937	5.5
55.01872	18.2
55.05514	16.8
57.03439	27.5
57.07061	2.2
60.33887	1.8
61.02932	3.5
65.03941	3.3
67.05505	24.5
69.03437	17.3
69.07062	10.9
69.85438	3.4
69.85836	4.0
70.60007	1.4
71.01358	36.7
71.04993	8.6
73.02920	50.6
75.04481	4.8
77.03960	1.9
79.05498	51.9
81.03422	5.8
81.07058	54.0
82.04195	2.0
83.01341	5.5
83.04977	23.4
83.08624	5.0
84.08149	1.7
85.02908	97.3
85.06536	8.1
87.04472	1.7
90.77972	1.8
91.04908	2.1
91.05480	45.6
93.07049	91.5
94.04181	2.8
95.01336	8.9
95.04978	19.5
95.08612	32.0
97.02895	22.9
97.06531	24.3
99.00806	8.0
99.04456	21.2
101.02380	13.2
101.06004	2.3
103.03940	13.7
103.05485	5.1
105.04504	2.7
105.07036	80.4
107.04955	9.9
107.08595	70.9
109.06520	31.3
109.10164	12.2
111.08109	12.8
113.02377	47.7
113.06075	2.0
115.04020	2.1
115.05481	4.0
117.01886	2.3
117.05501	2.4
117.07014	6.9
119.04964	2.4
119.08585	51.7
121.06507	38.4
121.10178	9.7
122.03664	4.7
123.04427	2.4
123.08092	6.8
123.11719	2.8
125.06002	21.2
127.03933	3.4
127.07534	9.8
128.06239	6.0
129.05496	24.0
129.07021	6.7
131.02432	2.7
131.03392	15.9
131.04955	5.2
131.08575	7.4
133.06488	8.1
133.10153	26.5
135.04469	4.8
135.08066	25.7
135.09044	3.1
137.05986	69.8
137.09621	2.9
137.13269	1.7
139.07544	17.9
141.01851	18.4
141.05504	2.5
141.06992	4.3
142.07773	5.3
143.07057	15.8
143.08553	14.1
145.04987	3.4
145.06442	1.9
145.10141	17.7
147.08052	6.6
147.11693	100.0
149.09622	2.7
149.13237	4.6
151.07550	4.7
151.11142	2.4
153.09122	2.6
155.07133	1.7
155.08626	1.9
156.09334	5.2
157.08626	6.7
157.10147	17.4
159.02863	10.7
159.06572	3.6
159.08000	3.3
159.11662	2.3
161.05971	10.5
161.09634	3.4
161.13263	23.1
163.07587	4.3
163.11176	2.6
165.12767	27.4
169.05006	5.8
171.06488	4.9
171.07956	3.1
171.11659	23.5
173.09622	3.4
173.13315	2.9
175.07579	19.4
175.11192	32.9
181.10133	4.5
184.08861	1.8
185.11769	3.6
187.06032	3.4
187.07597	3.5
187.11240	1.9
189.12747	45.1
191.08632	1.9
191.14345	3.9
193.12234	42.6
197.04517	3.7
199.07613	9.4
199.09618	2.4
199.11198	16.0
202.07805	3.5
203.08630	6.2
207.13792	33.5
209.11678	3.1
209.15564	2.1
211.13310	5.1
215.05518	13.7
217.12256	63.1
219.07999	3.5
229.14397	2.7
231.08096	4.8
233.06514	2.7
235.13307	48.5
247.07381	1.9
248.08453	2.7
251.10721	3.6
253.14359	22.4
263.10709	3.2
265.08548	2.2
265.17911	2.7
276.08038	2.5
279.10156	5.3
291.10205	5.6
291.15848	4.2
292.11017	3.1
295.13211	2.1
305.08719	6.7
309.16989	14.4
311.12723	11.7
323.12836	13.1
327.18018	31.4
485.20264	2.2
489.93158	1.9
503.21155	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	11.5
53.64724	3.3
55.01872	17.8
55.05513	17.3
55.35566	2.8
57.03442	26.0
61.02912	5.0
62.07594	2.8
63.58799	2.8
65.49982	3.2
67.05516	21.7
69.03437	19.2
69.07054	11.0
69.66067	14.6
69.66481	7.3
71.01361	41.0
71.04983	9.6
73.02925	46.9
75.04463	4.2
79.05493	48.9
81.03428	7.3
81.07061	49.2
83.01353	5.3
83.04980	27.2
85.02913	98.5
85.06556	8.9
88.80467	3.2
91.05482	44.3
93.06480	5.7
93.07050	87.9
94.04185	3.5
95.01344	5.5
95.04969	20.7
95.08617	29.8
97.02903	25.8
97.06565	17.5
98.21480	7.6
99.00840	8.1
99.04450	18.8
101.02371	15.0
103.03925	9.3
103.05473	3.6
105.07038	81.4
107.04941	11.3
107.08614	63.3
109.06511	33.6
109.10171	12.7
111.08070	11.4
113.02371	43.0
115.05483	4.2
117.05466	4.0
117.07061	3.7
118.47178	3.2
119.04919	6.9
119.08590	51.4
121.06536	34.0
121.10152	7.9
123.08051	8.1
125.05976	22.4
127.07547	7.9
128.06219	3.5
129.05522	18.0
129.07001	7.8
131.03395	11.1
131.08525	9.2
133.06485	9.5
133.10176	24.8
135.04460	6.5
135.08067	25.7
137.05020	6.1
137.05989	73.7
139.07576	19.0
141.01862	22.3
142.07774	7.3
143.07028	16.7
143.08563	9.1
145.10133	21.8
147.08044	14.1
147.11694	100.0
151.07565	7.3
153.09108	5.5
156.09384	6.2
157.08623	9.9
157.10139	18.4
159.02908	13.9
159.08084	3.9
160.05220	3.4
161.06001	9.2
161.13295	17.8
163.07635	4.0
165.12773	19.3
169.05005	5.6
171.06508	8.2
171.11729	30.7
173.09581	6.0
175.07587	37.9
175.11188	38.3
181.89172	3.5
187.06038	6.5
187.07611	3.9
189.12764	44.6
191.14279	4.6
193.12248	39.6
199.07625	8.1
199.11142	14.8
207.13831	38.2
211.13303	6.8
215.05499	9.3
217.12234	59.1
219.07912	5.7
231.08063	8.5
235.13303	51.4
247.07433	3.5
251.10732	3.5
253.14413	24.2
263.10614	4.1
279.10126	3.7
291.10016	10.2
292.10794	4.1
305.08713	4.6
309.16913	15.6
311.12845	10.8
323.12769	17.3
323.53867	3.5
327.18045	26.8
359.49179	3.2
409.39594	3.3
503.21277	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	503.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
55.05519	6.9
57.03429	3.1
63.59151	1.5
67.05491	4.2
69.03429	5.0
69.07050	4.0
70.29903	4.3
71.04977	4.0
71.18358	1.2
79.05511	7.9
80.67902	1.5
81.03412	4.4
81.07061	13.4
83.04962	6.0
83.08607	2.0
85.02914	8.9
85.06541	2.8
86.79472	1.5
87.00825	2.6
91.05472	8.7
93.07051	34.7
93.38749	1.6
95.04961	6.2
95.08611	5.4
97.02894	2.5
97.06531	6.4
99.04449	8.7
103.05471	1.6
105.01818	2.3
105.07046	13.2
107.08580	6.3
109.02873	3.7
109.06503	5.5
109.10141	2.9
110.89151	1.6
111.04401	1.6
116.10748	1.5
117.07066	2.6
119.08627	9.5
120.08930	1.6
121.06501	26.6
121.10136	3.9
127.03796	5.5
129.07001	3.1
130.04977	1.9
131.08542	4.6
133.06506	1.8
133.10115	10.4
135.11688	2.2
137.05936	5.5
139.07494	5.0
143.08549	4.1
145.04956	1.7
145.10075	6.5
147.08022	2.5
147.11676	10.8
149.13252	2.1
155.08691	2.0
156.09258	2.2
157.10083	6.5
158.87074	1.5
159.11742	1.7
161.09689	2.8
161.13292	7.3
163.11186	2.8
169.08586	6.2
171.11688	5.1
173.13254	3.0
175.11122	9.0
175.14761	1.7
179.14334	2.9
189.12749	12.8
193.12315	2.0
195.10153	6.4
199.11200	4.9
201.16406	5.9
203.17972	5.3
207.13757	2.4
214.18050	8.3
215.18411	8.8
217.12221	14.5
219.17389	5.4
235.13351	8.8
237.18475	3.5
241.08430	1.6
252.25891	1.6
253.14372	3.4
291.15887	2.8
309.16989	29.6
341.21350	1.9
355.17242	4.9
394.83249	1.5
399.16391	7.4
417.20853	2.5
440.51306	1.6
459.21970	18.7
503.20901	100.0
504.21384	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	503.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
55.05519	6.9
57.03429	3.1
63.59151	1.5
67.05491	4.2
69.03429	5.0
69.07050	4.0
70.29903	4.3
71.04977	4.0
71.18358	1.2
79.05511	7.9
80.67902	1.5
81.03412	4.4
81.07061	13.4
83.04962	6.0
83.08607	2.0
85.02914	8.9
85.06541	2.8
86.79472	1.5
87.00825	2.6
91.05472	8.7
93.07051	34.7
93.38749	1.6
95.04961	6.2
95.08611	5.4
97.02894	2.5
97.06531	6.4
99.04449	8.7
103.05471	1.6
105.01818	2.3
105.07046	13.2
107.08580	6.3
109.02873	3.7
109.06503	5.5
109.10141	2.9
110.89151	1.6
111.04401	1.6
116.10748	1.5
117.07066	2.6
119.08627	9.5
120.08930	1.6
121.06501	26.6
121.10136	3.9
127.03796	5.5
129.07001	3.1
130.04977	1.9
131.08542	4.6
133.06506	1.8
133.10115	10.4
135.11688	2.2
137.05936	5.5
139.07494	5.0
143.08549	4.1
145.04956	1.7
145.10075	6.5
147.08022	2.5
147.11676	10.8
149.13252	2.1
155.08691	2.0
156.09258	2.2
157.10083	6.5
158.87074	1.5
159.11742	1.7
161.09689	2.8
161.13292	7.3
163.11186	2.8
169.08586	6.2
171.11688	5.1
173.13254	3.0
175.11122	9.0
175.14761	1.7
179.14334	2.9
189.12749	12.8
193.12315	2.0
195.10153	6.4
199.11200	4.9
201.16406	5.9
203.17972	5.3
207.13757	2.4
214.18050	8.3
215.18411	8.8
217.12221	14.5
219.17389	5.4
235.13351	8.8
237.18475	3.5
241.08430	1.6
252.25891	1.6
253.14372	3.4
291.15887	2.8
309.16989	29.6
341.21350	1.9
355.17242	4.9
394.83249	1.5
399.16391	7.4
417.20853	2.5
440.51306	1.6
459.21970	18.7
503.20901	100.0
504.21384	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	503.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
55.05519	6.9
57.03429	3.1
63.59151	1.5
67.05491	4.2
69.03429	5.0
69.07050	4.0
70.29903	4.3
71.04977	4.0
71.18358	1.2
79.05511	7.9
80.67902	1.5
81.03412	4.4
81.07061	13.4
83.04962	6.0
83.08607	2.0
85.02914	8.9
85.06541	2.8
86.79472	1.5
87.00825	2.6
91.05472	8.7
93.07051	34.7
93.38749	1.6
95.04961	6.2
95.08611	5.4
97.02894	2.5
97.06531	6.4
99.04449	8.7
103.05471	1.6
105.01818	2.3
105.07046	13.2
107.08580	6.3
109.02873	3.7
109.06503	5.5
109.10141	2.9
110.89151	1.6
111.04401	1.6
116.10748	1.5
117.07066	2.6
119.08627	9.5
120.08930	1.6
121.06501	26.6
121.10136	3.9
127.03796	5.5
129.07001	3.1
130.04977	1.9
131.08542	4.6
133.06506	1.8
133.10115	10.4
135.11688	2.2
137.05936	5.5
139.07494	5.0
143.08549	4.1
145.04956	1.7
145.10075	6.5
147.08022	2.5
147.11676	10.8
149.13252	2.1
155.08691	2.0
156.09258	2.2
157.10083	6.5
158.87074	1.5
159.11742	1.7
161.09689	2.8
161.13292	7.3
163.11186	2.8
169.08586	6.2
171.11688	5.1
173.13254	3.0
175.11122	9.0
175.14761	1.7
179.14334	2.9
189.12749	12.8
193.12315	2.0
195.10153	6.4
199.11200	4.9
201.16406	5.9
203.17972	5.3
207.13757	2.4
214.18050	8.3
215.18411	8.8
217.12221	14.5
219.17389	5.4
235.13351	8.8
237.18475	3.5
241.08430	1.6
252.25891	1.6
253.14372	3.4
291.15887	2.8
309.16989	29.6
341.21350	1.9
355.17242	4.9
394.83249	1.5
399.16391	7.4
417.20853	2.5
440.51306	1.6
459.21970	18.7
503.20901	100.0
504.21384	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	503.195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
55.01868	7.9
55.05516	94.1
57.18328	2.5
58.99577	5.5
61.01149	27.2
65.17751	2.7
66.60715	2.7
67.05509	12.8
69.03436	35.7
69.07063	3.3
69.13258	2.4
71.04989	3.6
72.50247	2.5
79.05510	20.4
81.03420	8.6
81.07061	14.5
83.04489	5.3
83.04987	100.0
85.02908	4.1
85.06570	5.3
86.99079	5.7
89.00627	32.7
91.05487	32.7
93.07043	29.5
95.04965	17.0
95.08628	8.0
97.02913	4.3
97.06547	11.7
99.04459	11.4
99.08105	5.3
103.05480	3.6
105.00119	6.3
105.07045	33.8
107.04992	7.6
107.08592	12.5
109.06538	8.1
109.10117	3.8
111.08115	3.0
114.09187	3.0
115.05493	6.7
117.07043	22.7
119.08585	36.8
121.06503	10.9
121.10191	6.8
123.08129	5.5
125.09570	2.7
128.06204	6.8
129.06999	23.1
131.08595	19.8
132.99565	5.3
133.06496	4.6
133.10159	11.4
134.98230	2.9
135.08040	9.0
137.04187	3.4
137.06003	7.3
137.09662	3.8
139.07536	3.0
141.06963	5.3
142.07800	12.9
143.08606	23.6
145.06528	6.5
145.10126	26.9
147.08055	18.3
147.11652	7.9
149.05978	6.5
149.09633	5.4
151.07547	5.1
155.08568	7.4
156.09367	4.4
157.06459	3.7
157.10132	21.7
159.08096	5.9
159.11742	6.1
161.09676	5.2
163.07518	7.1
163.11195	4.0
165.06935	3.3
165.09140	9.6
166.07811	6.2
168.09383	4.7
169.10144	12.8
171.06567	11.0
171.07938	3.9
171.11679	19.6
173.09636	22.7
175.11171	15.3
179.05209	3.1
181.10124	16.6
183.11705	4.3
185.09651	8.0
187.11168	5.5
189.12788	7.4
191.10696	9.4
195.06535	3.1
197.09703	4.0
199.11198	26.3
203.10747	6.6
205.12248	3.6
209.09715	3.7
215.10744	9.9
217.12250	30.4
227.10753	14.5
233.11726	8.8
235.13313	5.8
237.18622	3.4
241.08904	3.7
245.11755	22.3
249.09511	3.0
261.17709	3.8
262.93195	2.9
263.12802	11.0
287.09604	3.6
293.12146	3.7
295.09982	5.8
303.10431	3.9
311.13031	5.5
313.11026	8.9
321.11612	14.5
339.12637	32.1
349.11118	5.9
357.13611	19.1
367.12128	11.4
385.13199	40.8
403.14221	33.7
485.18359	9.2
503.19189	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	503.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
55.01858	1.8
57.03439	1.3
61.02916	1.5
69.03423	4.7
70.06584	2.0
71.48915	1.6
71.49263	1.7
79.05489	2.3
81.03426	2.7
84.04540	1.2
84.08170	1.8
84.32513	1.5
84.57399	1.2
85.02923	9.8
86.09696	2.5
91.05477	4.9
94.04182	3.7
97.02917	3.1
103.05475	10.4
105.07017	5.0
108.46849	1.2
108.66281	1.3
109.02906	1.8
115.05463	3.8
117.07018	1.7
122.03646	7.1
123.13538	1.2
127.03934	3.4
128.06232	1.7
129.07019	2.4
131.04947	17.2
132.05681	2.4
133.06488	4.2
137.05989	100.0
138.06258	1.3
147.04405	1.7
147.08044	1.9
159.08055	3.0
160.05157	1.9
161.06029	12.9
163.07584	18.5
165.06924	1.3
171.08037	1.7
172.05217	1.5
175.06041	2.3
175.07567	31.6
179.07063	2.1
185.05733	1.4
187.07584	12.5
189.09052	1.3
190.07819	2.9
191.08542	6.6
199.07594	7.8
202.07730	2.1
203.08578	5.2
205.06728	1.5
217.08630	1.8
219.08081	8.8
220.08818	1.7
231.08037	4.5
247.07574	4.3
248.08307	2.3
251.10640	9.9
259.07605	3.6
260.08337	2.3
263.10672	3.8
265.08524	2.0
276.07880	2.6
277.08551	2.2
279.10245	9.9
291.10120	9.6
292.10837	2.3
293.08072	1.4
295.13364	1.9
296.10547	2.0
297.11081	1.5
308.10394	1.4
311.12836	22.3
323.12781	18.1
341.13828	2.4
381.60727	1.3
503.20120	4.5
512.90576	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.5
55.01872	7.3
55.05514	82.1
58.99600	5.8
61.01160	33.2
67.05492	8.2
69.03427	11.9
69.07068	6.6
69.58044	17.6
69.58446	5.9
71.04984	11.2
79.05486	18.8
81.03408	8.5
81.07056	11.8
83.04988	86.5
85.02898	4.8
86.99046	3.2
89.00631	34.2
91.05499	19.8
93.07054	16.3
93.50539	2.6
94.60248	2.7
95.04970	9.7
95.08598	7.7
97.02874	6.9
97.06556	8.0
98.09779	3.5
99.04462	34.6
100.11253	8.9
103.05438	3.5
105.00097	4.7
105.07046	33.1
107.04945	7.2
107.08579	10.1
109.06512	7.0
111.04407	4.0
115.05468	3.1
117.07009	13.6
119.04928	5.5
119.08558	14.4
121.06512	9.9
121.10172	5.2
123.08057	6.3
128.06239	8.4
129.07005	18.5
130.04974	5.4
130.07735	5.6
131.04959	4.7
131.08582	16.8
132.99583	3.8
133.06505	10.3
133.10147	9.2
135.08034	6.2
137.05995	5.7
141.06996	10.2
142.07788	7.4
143.08553	31.0
145.06519	8.7
145.10143	25.9
147.08037	8.0
147.11728	4.9
149.09695	8.8
151.07567	7.9
153.07054	3.4
155.08566	14.2
156.09349	9.4
157.06487	3.3
157.10138	23.8
158.07240	4.8
159.08035	7.7
159.11655	6.1
161.09674	10.0
161.13300	4.2
163.11177	3.1
165.07039	7.4
166.07820	12.4
167.08627	3.8
169.10159	18.3
171.06496	7.9
171.08060	9.7
171.11700	30.1
173.04167	3.0
173.09604	26.5
173.13297	3.0
175.07553	4.4
175.11206	4.7
181.10126	24.4
182.15401	6.7
183.11800	5.0
185.09612	9.7
187.11224	8.7
189.12798	5.6
191.10741	6.2
197.09676	7.9
199.11172	42.3
201.12810	3.9
203.10634	4.2
209.09671	9.6
210.14943	6.3
213.07320	4.7
213.09282	3.3
215.10660	15.0
217.12224	30.2
227.10664	36.0
231.08258	5.8
233.11765	10.2
235.13358	6.6
245.11732	41.4
256.15533	6.2
257.15887	4.8
263.12900	11.6
277.08914	5.3
293.12149	4.9
295.09818	4.2
303.10547	3.2
321.11581	17.0
339.12732	25.4
349.11151	12.3
357.13443	8.7
367.12155	35.1
385.13156	100.0
403.14282	26.2
450.64606	2.8
485.18332	13.1
501.89984	3.5
503.19788	15.1
503.35699	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	503.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.01864	1.3
61.02903	1.6
69.03419	1.7
69.41627	1.0
69.67951	2.8
69.68362	2.0
70.06593	1.0
79.05497	2.9
81.03435	1.3
81.07036	1.3
85.02914	5.2
91.05483	4.6
93.07053	1.2
94.04179	2.5
97.02889	2.4
98.21476	1.1
103.05469	2.1
105.03312	0.9
105.07061	6.7
109.02914	1.5
109.06500	2.5
115.05447	3.6
117.07021	1.0
119.04947	1.6
119.08565	2.3
122.03657	7.9
127.03903	1.6
128.06267	2.1
129.07030	2.4
131.04941	2.8
132.05788	1.6
133.06482	3.9
137.05994	100.0
138.06317	1.0
144.05725	1.1
147.04399	2.0
147.08028	2.8
149.05959	2.7
151.07562	1.6
155.04967	1.2
159.08134	4.3
159.09256	1.0
160.05223	1.9
161.06003	12.8
163.07561	1.4
167.05644	1.0
167.07025	3.5
171.08096	1.1
172.05177	2.1
175.07570	26.1
179.07042	1.5
187.07596	7.9
189.08923	1.2
190.07819	2.3
191.08577	6.8
199.07608	8.0
201.09225	0.9
202.07785	2.6
203.08611	5.9
205.06577	1.2
208.08823	1.0
209.15378	1.0
218.07225	2.3
219.08090	10.8
220.08678	2.5
231.08025	5.4
232.08829	1.6
236.08359	1.8
247.07484	4.6
248.08316	2.9
249.09035	1.3
251.10709	11.5
255.19356	1.1
259.07715	4.3
260.08350	1.4
263.10764	3.7
276.07794	1.9
277.08569	3.0
279.10153	11.1
280.10867	1.2
291.10187	10.9
291.13187	1.5
292.10931	1.4
293.08075	1.5
311.12811	23.7
323.12759	13.7
341.13879	2.1
406.00790	1.0
485.20160	1.6
501.85007	0.9
503.20944	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.60552	1.0
69.03425	2.4
69.34135	7.5
69.59391	0.9
70.45525	1.1
79.05483	2.5
81.07052	2.6
85.02932	6.2
91.05489	10.2
94.04190	3.2
96.26083	1.3
97.02919	1.1
103.05502	1.8
105.07032	4.1
107.04910	0.9
109.06522	2.0
115.05474	4.1
117.06960	1.6
119.08641	2.5
122.03661	7.7
127.03876	1.9
128.06245	1.2
128.33183	1.0
129.07033	2.7
131.04916	1.9
132.05693	1.9
133.06494	5.1
133.10251	0.9
137.05991	100.0
138.06302	1.7
141.07024	1.4
141.84103	1.1
147.04434	2.1
147.08066	4.0
149.06029	1.9
159.08099	1.8
160.05186	1.2
161.06004	15.1
175.07561	28.4
187.07520	8.4
190.07817	3.2
191.08563	7.1
199.07588	8.1
202.07729	2.4
203.08583	6.4
217.08615	1.2
218.07266	2.0
219.08069	9.0
220.08827	2.3
231.08022	6.0
233.09433	1.1
236.08228	1.6
247.07561	5.4
248.08363	4.7
251.10701	12.4
259.07617	3.4
260.08478	1.2
261.09003	1.6
263.10794	3.3
276.07825	2.1
277.08667	2.8
279.10202	9.7
280.10892	1.3
291.10178	10.0
292.10843	1.7
309.11563	1.1
311.12775	22.6
323.12817	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	503.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01870	1.6
55.05494	1.9
57.03426	2.6
61.02934	1.4
67.05492	1.1
69.03437	6.7
70.06587	1.1
70.16280	2.4
70.16691	1.7
71.04976	1.0
73.02908	1.3
79.05487	3.7
81.03393	3.6
81.07047	3.8
83.04969	2.1
83.07686	0.9
84.08134	1.0
85.02908	15.0
87.00823	0.9
91.05483	4.8
93.07021	2.7
94.04179	3.6
95.04989	1.5
95.08623	1.6
97.02904	5.7
99.04457	1.1
99.08115	1.1
103.05446	3.1
105.06413	1.0
105.07017	6.0
107.08614	2.2
109.02863	2.8
109.06500	3.6
115.05502	4.5
117.07000	1.7
119.08589	4.7
121.06538	1.5
121.10046	0.9
122.03640	9.3
127.03880	3.2
128.06233	2.4
129.07001	2.2
131.04927	3.5
132.05695	1.8
133.06525	3.0
133.10152	1.7
137.05986	100.0
138.06273	1.0
141.06985	1.7
145.05006	1.7
145.06372	2.0
145.10103	2.8
146.03644	1.5
147.08009	2.5
159.08116	1.4
159.11720	1.6
160.05177	1.7
161.05998	10.8
161.13269	1.8
163.07553	7.7
165.06966	1.0
167.72121	0.9
168.05695	1.3
175.07558	29.5
175.14787	1.0
184.05180	2.0
186.06789	1.0
187.07512	4.7
190.07738	1.6
191.08583	3.7
199.07541	16.1
201.16505	1.7
202.07764	3.1
203.08519	8.5
205.06517	1.4
219.08109	7.8
219.17358	1.8
220.08815	2.8
231.08012	8.7
232.08743	2.2
233.09781	0.9
235.33844	0.9
236.08286	1.0
237.18457	1.4
247.07515	3.8
248.08368	4.0
249.09154	1.3
251.10594	8.4
259.07535	4.5
260.08286	1.8
261.09256	1.0
263.10699	5.5
264.07846	1.0
271.19958	0.9
275.06976	1.2
276.07794	2.6
277.08539	3.2
279.10092	6.3
291.10187	10.5
292.10977	4.2
293.08057	1.5
295.10022	0.8
295.13284	2.2
308.10526	1.1
309.11102	1.0
311.12808	15.6
323.12772	20.7
325.14185	1.1
381.27728	1.0
503.14722	1.4
503.21548	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63424	1.5
53.03942	4.1
54.74864	1.8
55.01869	4.8
57.03427	6.4
61.02931	4.3
65.03938	2.3
67.05513	4.9
69.03435	10.2
70.78700	4.0
70.79044	2.5
71.01350	7.3
71.05000	2.8
73.02931	9.0
79.05495	13.2
81.03432	3.7
81.07039	11.4
83.04982	4.3
85.02422	3.6
85.02908	32.8
85.06539	2.0
91.05496	12.2
93.07046	17.2
94.04203	5.4
95.01360	2.2
95.04971	5.8
95.08624	5.5
97.02887	10.3
97.06535	2.6
99.00810	2.2
99.04464	3.9
101.02407	2.5
103.03960	2.2
103.05444	4.5
104.03474	1.8
105.07033	22.4
107.04958	2.9
107.08594	14.1
107.29230	1.8
109.02934	2.2
109.06496	8.8
109.10168	3.5
111.08086	2.1
113.02381	9.9
115.05457	3.8
119.08588	12.9
121.06521	6.6
121.10136	3.0
122.03645	8.6
125.06068	4.0
127.03971	2.3
128.06244	4.3
129.05484	5.9
129.07019	5.0
131.03439	2.2
131.04964	4.9
132.05724	4.2
133.06516	2.7
133.10147	6.9
135.08089	3.3
137.05992	100.0
139.07533	3.4
141.01804	3.2
143.07033	3.1
143.08542	2.4
145.04922	2.4
145.10129	4.3
147.08032	4.7
147.11694	19.1
157.08696	2.0
157.10118	2.9
159.02893	2.4
159.08058	3.1
160.05228	2.0
161.05989	10.7
161.09630	1.8
161.13295	5.1
163.07552	7.3
165.12726	3.4
171.11794	2.5
175.07562	36.7
175.11212	5.6
187.07587	5.9
189.12798	9.2
191.08617	5.2
193.12238	8.8
199.07581	16.8
199.11252	1.9
202.07779	5.0
203.08549	9.0
205.06535	2.4
207.13811	8.5
215.05469	3.2
217.12277	11.3
219.08099	5.8
231.08006	12.1
232.08807	2.3
235.13368	10.3
235.79115	2.2
236.08250	2.1
237.89099	2.1
247.07529	3.3
248.08397	6.1
251.10654	8.9
253.14378	5.0
259.07608	4.2
263.10599	4.1
277.08609	3.8
279.10172	7.7
291.10208	15.1
292.10931	5.3
311.12784	14.2
312.25452	2.1
323.12814	20.8
327.18027	7.0
380.27859	1.8
402.00928	1.9
503.21469	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	502.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	15.9
57.03440	10.4
57.07079	30.8
59.04993	4.6
65.81178	3.5
65.95724	3.7
67.05508	70.7
69.07065	6.5
70.00593	3.4
70.24854	7.8
71.08633	24.4
73.04765	9.0
79.05535	3.6
81.03422	13.7
81.07063	18.0
83.08629	18.3
85.10185	14.4
89.06046	4.9
91.05856	8.3
93.07018	4.7
94.51945	3.4
95.08614	16.9
97.10207	5.9
105.07034	5.2
107.68336	3.7
109.10165	57.3
111.08079	4.5
117.40891	3.8
119.08593	6.8
167.05576	12.8
173.11758	17.1
192.63860	4.6
229.14354	45.0
239.09549	10.8
255.41553	3.8
299.06186	17.4
313.27380	53.3
344.97552	6.1
415.04019	5.6
467.37372	100.0
502.30688	4.1
502.37991	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	502.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01870	0.4
55.05513	4.8
56.05038	4.1
56.15260	0.3
57.03435	1.1
57.07063	0.5
58.06607	0.6
60.08153	0.5
60.64625	0.3
61.38862	0.3
65.03633	0.4
65.03937	2.6
65.91931	0.3
67.05506	12.0
67.43325	0.3
67.72081	0.3
67.72424	0.3
68.18360	0.3
69.07069	2.8
69.65856	1.7
70.06593	0.9
71.04991	1.4
71.07375	22.0
79.05503	3.3
81.07058	10.1
83.04983	1.9
83.08619	1.2
86.09708	81.9
87.10008	0.3
89.70199	0.3
90.99461	0.7
91.05479	2.1
93.07041	2.8
95.08614	7.8
97.06564	0.4
97.10188	0.8
98.98470	9.6
104.10780	0.8
104.93984	0.4
105.07059	1.6
107.08590	2.0
109.10164	3.1
119.08578	0.9
121.10165	0.9
123.11737	0.8
125.00007	22.8
127.11182	3.2
133.10124	1.0
135.11705	0.4
136.99995	3.1
147.11708	0.7
160.09627	0.3
161.09651	0.5
163.01561	21.5
177.09137	1.0
181.02612	1.9
184.07349	8.0
217.15929	0.5
233.15506	0.7
235.16939	0.4
251.16258	0.4
307.26846	0.3
346.53406	0.4
443.25623	7.0
443.31290	0.5
462.83600	0.4
502.32916	100.0
503.33279	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72732	2.7
52.75394	2.4
53.03942	3.9
54.53113	2.3
55.01876	4.5
55.05504	7.6
57.70642	2.3
64.77512	2.7
67.05511	17.3
68.07440	3.0
69.03433	18.9
69.07065	11.1
70.84435	2.5
71.05000	7.2
71.37318	5.9
73.02918	3.9
73.26297	2.7
74.92149	2.7
79.05499	11.6
81.03417	10.9
81.07065	26.1
83.05009	3.9
83.08633	3.0
85.02918	22.4
87.00831	11.0
91.05489	20.4
93.07050	25.0
95.08616	14.8
97.02898	10.9
97.06523	7.1
99.04419	5.5
103.05476	2.8
104.28981	2.9
105.01866	12.6
105.07041	45.5
107.08617	25.5
109.02890	9.9
109.10169	19.6
117.07021	11.2
119.08598	34.4
121.06538	4.1
121.10161	11.0
127.03931	19.9
127.11191	12.3
129.07027	4.0
130.05002	2.6
130.07733	2.8
131.08580	34.0
133.10156	18.6
133.16405	2.6
135.08017	2.4
135.11723	7.9
143.08580	4.4
144.09332	3.6
145.04974	11.2
145.10132	100.0
147.11740	5.0
149.13263	3.0
157.10129	5.0
159.02898	6.3
159.10472	5.1
159.11707	67.5
161.13263	22.2
163.11159	12.3
173.13307	7.8
175.14874	4.8
177.12869	4.3
191.18018	3.7
199.14896	2.8
201.16396	51.5
203.17909	2.5
217.15877	2.6
219.17465	88.1
231.05057	3.1
269.21881	2.9
301.63852	2.7
334.39560	2.7
360.90286	3.5
446.20520	2.7
484.17755	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	501.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	11.4
57.03436	5.9
59.05006	5.7
63.53261	4.8
67.05497	9.5
69.03446	22.2
69.07047	4.8
69.59387	21.2
71.01358	14.2
71.04989	16.8
73.02919	7.0
79.05500	19.5
81.03425	7.5
81.07051	22.6
83.05001	7.1
85.02917	54.4
85.06540	18.6
87.00870	6.6
87.04467	12.3
91.05500	21.1
93.07059	42.0
95.04983	9.1
95.08614	20.7
97.02914	27.0
97.06521	13.2
98.20856	8.5
99.00848	9.0
99.04465	16.0
103.03946	8.4
103.05489	6.6
105.07040	50.0
107.08633	24.3
109.06567	7.1
109.10152	8.8
111.04427	5.5
111.08064	4.7
113.02385	8.5
115.05373	5.0
117.07041	18.3
119.08570	26.1
121.06506	17.0
121.10155	12.3
123.08077	11.6
127.03946	10.3
129.07039	5.7
131.03421	6.6
131.08585	52.1
133.06534	8.6
133.10159	11.7
135.08051	8.1
137.05981	23.5
139.84773	4.6
141.01848	4.5
141.07016	7.3
142.07776	5.5
143.08562	10.8
145.04877	4.9
145.06546	5.8
145.10162	27.9
147.11703	15.0
155.08611	13.8
157.10129	11.6
159.08125	4.2
159.11732	41.9
161.06038	5.8
161.09688	9.4
163.11185	5.9
173.08142	5.2
173.09694	6.1
173.13292	52.3
175.11215	7.3
177.12813	13.6
183.11705	11.9
187.11217	4.9
189.12683	8.6
191.14287	27.2
201.12772	61.0
217.15854	6.4
219.13829	65.4
235.16980	13.2
241.95444	4.8
293.17526	100.0
311.18558	39.2
465.21542	5.4
491.12979	4.6
501.18045	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	501.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	11.4
57.03436	5.9
59.05006	5.7
63.53261	4.8
67.05497	9.5
69.03446	22.2
69.07047	4.8
69.59387	21.2
71.01358	14.2
71.04989	16.8
73.02919	7.0
79.05500	19.5
81.03425	7.5
81.07051	22.6
83.05001	7.1
85.02917	54.4
85.06540	18.6
87.00870	6.6
87.04467	12.3
91.05500	21.1
93.07059	42.0
95.04983	9.1
95.08614	20.7
97.02914	27.0
97.06521	13.2
98.20856	8.5
99.00848	9.0
99.04465	16.0
103.03946	8.4
103.05489	6.6
105.07040	50.0
107.08633	24.3
109.06567	7.1
109.10152	8.8
111.04427	5.5
111.08064	4.7
113.02385	8.5
115.05373	5.0
117.07041	18.3
119.08570	26.1
121.06506	17.0
121.10155	12.3
123.08077	11.6
127.03946	10.3
129.07039	5.7
131.03421	6.6
131.08585	52.1
133.06534	8.6
133.10159	11.7
135.08051	8.1
137.05981	23.5
139.84773	4.6
141.01848	4.5
141.07016	7.3
142.07776	5.5
143.08562	10.8
145.04877	4.9
145.06546	5.8
145.10162	27.9
147.11703	15.0
155.08611	13.8
157.10129	11.6
159.08125	4.2
159.11732	41.9
161.06038	5.8
161.09688	9.4
163.11185	5.9
173.08142	5.2
173.09694	6.1
173.13292	52.3
175.11215	7.3
177.12813	13.6
183.11705	11.9
187.11217	4.9
189.12683	8.6
191.14287	27.2
201.12772	61.0
217.15854	6.4
219.13829	65.4
235.16980	13.2
241.95444	4.8
293.17526	100.0
311.18558	39.2
465.21542	5.4
491.12979	4.6
501.18045	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	500.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.7
56.05035	1.2
57.03436	0.7
58.06593	1.6
59.04996	1.1
60.07885	1.2
60.08167	16.9
67.05505	1.4
69.07085	1.2
69.44144	4.7
70.06587	1.8
71.07386	6.1
79.05507	1.6
81.03401	3.5
81.07060	1.2
83.04990	2.5
83.08616	1.6
84.08110	0.9
85.02912	0.9
86.09711	50.1
89.03931	0.8
91.05495	2.0
93.07050	1.7
95.04961	1.3
95.08602	1.1
98.20799	1.4
98.98471	4.0
100.11263	1.2
100.62042	0.8
104.10748	100.0
105.07024	2.5
119.08592	1.4
125.00011	28.5
127.03924	1.3
128.10718	1.1
129.06940	1.2
131.08562	1.0
131.78712	0.8
135.04419	1.6
137.06003	1.7
145.10202	0.9
147.07957	0.7
149.09607	0.9
154.12041	0.7
161.05995	1.5
163.03912	7.3
164.04243	4.2
184.07349	89.9
258.11194	1.5
263.45651	0.8
297.11029	0.8
320.08670	1.0
401.95132	0.7
432.21451	7.4
450.22562	40.5
451.22308	1.3
458.81976	0.8
482.24966	0.8
500.12616	0.9
500.19458	2.5
500.34863	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01864	0.4
55.05515	5.1
55.97511	0.2
56.05037	4.9
57.03441	1.5
58.06603	0.4
60.08157	0.8
65.03622	0.2
65.03946	3.2
67.05507	8.8
69.07069	2.2
69.23990	2.1
69.68003	0.3
70.06588	1.1
71.04980	0.6
71.07378	25.5
79.05497	7.8
81.07060	6.6
83.04984	1.9
83.08630	0.8
84.08137	0.4
86.09710	93.5
87.10037	0.6
90.99483	0.7
91.05482	4.0
93.07046	9.5
95.04974	0.7
95.08617	5.0
97.06541	0.3
98.98471	10.8
104.10758	0.6
105.04547	0.4
105.07034	2.3
107.08604	3.2
109.10173	1.5
117.07047	0.8
119.08594	1.2
121.10147	2.8
125.00010	27.0
131.08588	0.9
133.10164	0.8
134.64494	0.2
135.11700	1.3
136.99997	4.1
145.10115	0.7
147.11691	0.7
149.13272	0.4
159.11745	0.5
161.13147	0.2
163.01561	22.2
173.09801	0.2
181.02577	1.9
181.41370	0.2
184.07353	8.7
244.13902	0.2
261.22177	0.3
441.24066	8.8
451.73376	0.2
500.31375	100.0
501.31680	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	500.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87519	1.0
53.03917	1.2
54.94965	1.1
55.05274	1.4
55.05516	20.3
57.03445	7.0
57.07082	11.4
57.62589	1.1
59.05001	3.7
62.50048	1.2
67.05511	80.8
69.06731	1.7
69.07076	23.3
71.04987	2.9
71.08643	8.1
71.21915	2.7
74.09643	1.1
76.94613	1.2
79.05474	2.6
81.07067	14.4
83.08632	22.7
85.06546	2.7
85.10185	2.0
89.05981	1.3
91.05468	5.3
93.07047	3.9
95.08612	6.0
97.10189	13.7
105.07008	1.4
107.08567	2.5
109.10165	68.0
111.08086	2.6
111.11713	5.7
117.37750	1.1
117.95512	1.2
119.08571	5.2
121.10133	2.4
137.09612	1.4
155.10713	6.5
173.11751	19.2
229.14365	50.9
283.26221	3.0
311.25864	32.5
311.29288	1.6
346.00626	1.3
465.35800	100.0
466.36041	2.8
500.46234	2.7
512.53131	1.2
513.24237	1.3
517.33881	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.05514	2.5
56.05047	1.0
57.03440	0.9
58.06608	0.9
58.24965	0.6
60.04504	0.8
60.08167	16.1
67.05520	1.0
68.05038	0.6
69.03440	1.4
70.06605	2.2
70.67363	1.3
71.07378	6.6
79.05505	2.5
80.50871	0.6
80.82630	0.7
81.03421	3.4
81.07078	1.7
83.04984	2.7
83.08634	1.2
85.02931	1.2
86.09711	50.4
87.04446	1.3
88.03979	0.8
91.05499	2.8
93.07027	1.5
95.04965	1.5
95.08616	0.9
97.02865	0.9
98.06078	2.2
98.98439	3.2
99.64474	0.6
102.05509	0.8
103.36166	0.7
104.10751	100.0
105.07030	1.4
107.05018	0.6
107.08629	1.2
109.06519	0.7
111.69731	0.7
111.96503	0.6
116.07088	1.4
117.07039	0.9
119.08604	1.2
121.10200	0.9
124.07571	0.7
124.99094	1.2
125.00014	24.7
129.07002	0.8
131.08557	1.3
133.10147	0.7
135.04408	1.0
137.06003	1.2
147.11676	0.8
157.10143	0.9
163.03912	4.5
164.04185	2.1
175.07489	0.7
176.59657	0.7
184.07350	91.3
185.07652	0.8
219.17516	0.8
258.11063	1.2
267.15900	1.4
338.14493	0.9
432.16299	1.0
432.21469	7.2
436.86411	0.8
450.22534	42.3
482.24005	2.5
500.20862	0.6
500.35272	0.8
526.80695	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05785	2.4
50.77288	2.5
53.03951	9.6
54.81917	2.4
55.01871	8.4
55.05505	2.7
57.03436	8.4
61.02924	7.4
68.99803	4.5
69.03435	36.5
69.07075	5.8
69.21662	20.8
70.15369	1.8
71.04984	8.1
73.02910	6.3
81.03429	29.4
81.07060	4.5
84.77134	1.9
85.02911	100.0
87.00311	3.4
87.00833	39.4
91.05482	4.6
95.04980	2.3
95.08636	5.5
97.02901	27.6
97.06543	5.9
99.04456	18.7
103.04008	2.2
105.01865	31.5
105.07030	3.7
108.04475	6.9
109.02884	29.3
117.01874	4.4
119.08591	3.6
121.06548	3.7
123.08049	3.9
126.05537	3.7
127.03930	65.9
127.11192	5.8
129.01805	3.8
131.08551	3.2
133.10139	3.7
135.08028	3.7
137.05995	22.8
145.04985	34.6
147.02808	2.5
147.11749	3.6
151.07539	43.2
157.10220	3.1
159.02902	19.2
159.11678	3.4
161.09673	12.9
165.09117	2.2
175.07602	3.7
175.11266	2.5
177.09135	4.0
189.04025	4.2
199.14810	2.6
213.04076	2.5
217.15884	14.4
231.04959	17.2
235.16873	13.4
248.07741	3.7
301.18088	3.3
307.09915	2.4
325.18152	4.3
426.77426	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04662	1.5
51.20452	1.5
53.03947	2.4
55.01868	1.7
57.03449	1.4
58.50777	1.2
61.02926	1.6
68.99770	1.5
69.03437	6.5
69.07063	1.4
69.85466	6.2
70.06578	2.2
71.04996	26.8
79.05463	1.3
81.03423	4.3
83.05009	1.9
83.08643	1.5
85.02913	12.2
85.06548	1.5
87.00818	5.1
91.05498	2.0
93.82685	1.4
95.04987	1.4
97.02906	5.6
98.21409	1.8
101.28807	1.6
103.03953	1.8
105.01868	3.0
106.58999	1.3
107.08611	2.6
109.02861	5.1
109.10184	3.4
111.04467	1.3
119.08590	2.4
120.08089	1.3
121.06513	3.0
125.81453	1.4
127.03919	5.9
127.11210	100.0
128.11539	1.4
135.08112	1.8
137.05962	4.8
145.04976	3.4
145.10146	2.4
149.09596	1.9
151.07635	7.2
161.05991	2.7
163.03894	7.4
163.07561	2.5
173.09634	1.6
175.07494	2.6
177.09152	7.0
181.08652	1.3
187.07588	2.0
187.11153	1.3
189.03883	1.6
189.09169	1.9
191.07047	1.9
191.10608	2.0
201.09138	5.0
215.07091	1.6
217.08690	1.7
231.04999	2.0
233.15398	7.0
243.10078	2.6
251.16432	16.2
257.15427	3.3
275.16391	4.0
299.16473	3.1
317.17456	8.1
323.16388	1.8
326.44846	1.6
341.17291	3.3
401.03363	1.4
456.72235	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
54.39303	0.5
55.01878	1.2
55.05506	1.3
61.65014	0.5
65.03940	0.6
67.05510	2.4
69.03439	10.3
69.39767	4.0
72.08171	2.9
79.05520	3.0
81.03426	0.7
81.07072	2.9
83.04992	3.8
84.04492	0.5
85.02892	1.4
86.06049	0.8
91.05489	5.0
93.03430	0.5
93.07079	2.5
95.04971	4.4
97.02887	2.6
97.06519	0.8
98.20810	1.1
103.05475	1.2
105.07038	4.0
107.04977	1.7
107.08604	0.7
109.06509	1.4
115.03951	1.1
115.05482	1.8
117.07012	3.7
119.03557	1.5
119.04941	0.8
119.08605	2.4
121.06495	1.8
128.06242	3.5
129.07022	4.4
131.04971	0.9
131.08582	2.5
133.06497	0.8
133.10110	0.7
135.04457	0.6
136.06198	100.0
137.04623	0.8
137.05962	0.9
141.06992	4.3
142.07777	1.7
143.04889	0.6
143.08569	5.0
145.06497	1.8
145.10106	2.4
147.04523	0.5
147.08072	2.1
149.06015	0.9
152.06267	1.3
153.05638	0.6
153.07008	1.8
154.07799	4.1
155.08575	4.1
156.09383	0.7
157.06529	0.9
157.10107	1.9
158.07253	0.9
159.08078	2.1
161.05966	1.1
161.09622	0.6
162.07861	0.7
165.05617	0.7
165.07051	1.3
166.07764	0.6
167.08560	4.5
169.06461	0.6
169.10158	6.2
171.08067	2.0
171.11688	1.1
173.05962	1.4
173.09618	1.8
175.07561	0.8
179.08598	1.9
182.07327	1.5
182.11879	1.4
183.08069	1.1
185.09642	2.5
187.11208	1.6
189.09135	1.2
197.09631	7.1
199.07596	0.7
199.11221	0.9
201.09157	1.2
203.10631	0.7
204.08904	0.9
212.16527	1.4
213.09190	2.0
215.10725	3.5
225.09126	2.9
227.10745	0.5
231.10284	1.3
243.10210	6.2
261.11230	5.0
270.14563	1.0
303.82599	0.5
332.17160	1.3
347.14899	0.8
396.16565	3.4
414.17752	15.7
434.75497	0.5
482.20432	1.0
500.21475	50.5
500.27789	1.9
501.21869	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.6
54.57772	3.4
55.01878	5.6
55.05511	14.0
57.03424	6.9
59.05011	9.0
67.05501	11.3
68.22585	3.8
69.03426	10.3
69.07055	9.9
70.06608	5.4
70.72746	10.2
71.01347	10.3
71.05002	12.4
75.04488	3.7
79.05493	13.6
79.80909	3.7
79.93426	3.1
81.03434	6.8
81.07046	29.1
83.04977	6.6
85.02908	25.9
85.06555	7.3
87.04484	7.6
89.99703	3.3
91.05495	30.6
93.07045	70.4
93.07632	3.6
95.01400	3.7
95.04970	17.6
95.08602	7.8
97.02893	13.5
97.06538	13.4
99.04437	23.3
103.03951	9.3
103.05454	3.5
105.07037	33.0
107.08591	16.3
109.06530	14.1
109.10190	8.3
111.04437	5.7
113.02386	7.8
115.15782	3.2
117.07034	4.2
119.08599	29.4
121.06506	100.0
123.08061	7.9
127.07547	7.9
129.06976	6.5
131.03496	4.6
131.08563	8.1
133.10133	16.1
135.08078	9.2
137.05925	6.5
139.07533	4.1
142.07733	6.0
143.08571	6.9
145.04922	4.0
145.06604	4.2
145.10092	14.1
147.08026	7.5
147.11662	25.0
151.07602	3.8
156.09404	6.4
157.10097	21.6
161.09679	5.8
161.13275	11.1
165.72603	4.2
171.11678	21.4
175.07549	3.6
175.11166	28.3
178.00035	3.5
189.12744	50.3
190.25778	3.8
193.12262	6.7
195.10161	4.4
199.11168	15.4
207.13817	14.6
217.12241	68.3
222.26935	4.0
235.13268	23.3
251.16205	4.1
253.14365	3.9
309.16931	12.5
481.21463	5.4
499.21432	13.0
501.99036	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.3
55.05758	1.7
55.71224	1.6
57.03445	2.3
64.05618	1.7
67.05500	2.9
67.86468	1.9
69.03442	9.9
70.06584	3.5
70.71145	1.5
71.04998	21.4
71.49701	2.4
79.18715	1.7
81.03414	6.9
81.07040	3.7
83.04984	7.1
85.02919	15.3
86.09692	2.0
87.00829	5.6
91.05473	4.8
93.07021	2.3
95.08604	3.1
97.02875	6.4
97.06543	1.8
99.04440	4.3
105.01874	3.2
105.07046	4.3
107.08612	4.4
109.02869	4.2
109.10146	5.4
115.71430	1.5
116.07077	1.8
119.08582	2.0
121.06520	5.8
123.08105	2.1
127.03922	7.2
127.11197	81.0
129.07091	2.0
131.08588	3.2
133.10107	1.9
135.08006	3.4
137.05978	6.4
142.07805	2.9
143.08583	1.7
145.05008	4.5
145.10158	3.6
147.08066	2.4
149.06009	2.2
149.09608	2.3
151.07541	11.4
157.10147	8.0
159.07954	1.6
163.03836	10.5
173.09544	2.8
175.07593	2.2
175.11200	10.9
177.09106	12.2
191.10715	3.4
198.44563	1.9
201.09129	3.4
233.15317	11.6
235.68416	1.9
251.16429	17.0
257.15497	2.0
272.83395	2.2
275.16476	2.5
289.05304	3.0
293.16006	2.2
317.17712	4.7
319.15372	2.0
337.10306	1.9
341.17456	4.1
413.21292	3.1
423.35690	1.7
455.22812	15.4
463.21536	2.7
481.21564	3.4
489.30618	2.0
499.21497	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.1
53.16792	3.3
55.01872	6.6
55.05511	17.1
57.03436	18.8
59.04991	13.2
64.57355	3.3
67.05500	14.1
69.03434	22.7
69.07066	7.0
70.01806	8.7
70.02197	6.7
71.01350	31.3
71.04994	19.0
73.02917	3.5
75.04485	5.5
79.05151	3.1
79.05505	37.9
81.07060	52.7
83.04961	11.5
85.02908	67.1
85.06514	8.3
87.04477	23.7
91.05474	40.1
93.06496	5.5
93.07047	85.7
95.04979	16.6
95.08620	18.0
97.02890	34.9
97.06541	20.9
98.21497	5.9
99.00808	13.6
99.04461	46.4
103.03929	12.3
105.07042	98.3
107.04948	9.7
107.08596	36.4
109.06542	28.4
109.10121	5.2
111.04421	14.3
113.02359	20.6
117.07015	7.1
119.04987	6.5
119.08598	64.6
121.06509	74.0
121.10155	4.7
123.08078	4.7
127.03931	9.3
127.07552	13.9
128.06183	4.6
129.05498	4.9
129.07008	9.3
131.03384	10.1
131.08549	11.9
133.06519	5.2
133.10143	24.5
135.04442	4.1
135.08035	10.0
137.05960	7.3
139.07545	16.7
141.01819	5.4
141.05457	3.5
142.07764	8.4
143.08571	18.2
145.10133	21.4
147.08066	12.6
147.11696	90.1
151.07535	6.5
156.09323	8.3
157.10129	30.9
159.08054	4.9
159.11714	6.1
161.05968	4.8
161.09627	5.9
161.13264	40.0
169.04941	4.7
171.11690	36.3
173.09593	7.7
173.13309	4.0
175.07516	3.6
175.11172	30.8
181.10049	5.1
189.12769	63.0
190.37933	3.2
197.04485	6.1
199.11189	27.5
200.56876	3.9
207.13863	20.9
215.05475	5.2
217.12244	100.0
235.13217	32.6
251.16495	4.0
257.75000	3.2
291.15903	11.7
309.16888	33.4
367.99573	3.7
499.21866	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	499.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
55.01861	5.0
55.05505	8.4
57.03443	15.4
58.45005	1.5
59.04989	4.4
65.03960	1.9
67.05245	1.4
67.05515	16.0
69.03429	14.3
69.07072	8.0
69.20601	17.6
71.01340	5.0
71.04991	11.8
73.73974	1.8
76.07124	1.6
77.03911	1.9
79.05495	34.1
81.03397	3.2
81.07058	62.5
83.04979	14.0
83.08609	2.0
85.02908	14.0
85.06548	3.8
85.37467	1.5
87.00820	1.7
87.04486	10.7
87.63914	1.6
91.05481	24.6
93.07046	42.2
95.01315	2.8
95.04979	16.2
95.08602	18.9
97.02907	8.6
97.06530	17.6
99.04443	16.9
103.03954	17.1
105.07033	63.2
107.04940	5.6
107.08602	44.5
109.02869	4.0
109.06522	45.2
109.10148	4.7
111.04433	6.8
111.08037	4.0
113.02328	2.5
114.72086	1.7
117.05541	3.9
117.06998	8.4
119.04907	2.3
119.08590	39.3
121.06514	49.6
121.10131	7.1
123.04434	3.5
123.08079	17.9
123.11688	5.1
125.05954	4.8
127.03107	2.1
127.03925	7.5
127.07543	13.5
128.06216	2.3
129.05486	4.4
129.07043	8.2
131.08549	7.0
133.06493	4.7
133.10121	18.6
135.04430	3.8
135.08060	32.8
135.11726	3.1
136.06172	2.2
137.05971	8.8
137.13258	1.9
139.07542	15.1
141.01814	3.2
141.05473	1.6
141.06952	3.5
142.07750	6.6
143.08560	11.5
145.04951	3.6
145.06487	3.2
145.10135	14.8
147.08089	8.6
147.11688	96.5
149.09590	3.2
149.13243	4.6
151.11246	2.4
155.08524	3.5
156.09415	4.1
157.06418	2.0
157.10153	18.9
159.02856	2.4
159.08057	2.7
159.11630	2.4
160.08708	1.9
161.09659	3.1
161.13277	9.7
163.03920	2.2
163.07503	4.2
163.11124	2.1
165.06989	1.8
165.12758	62.1
169.04971	5.1
171.06491	5.0
171.07986	2.6
171.11678	19.6
173.04448	2.2
173.09644	9.9
173.13216	2.4
175.11197	62.1
181.10085	5.1
184.08784	2.5
187.11211	1.8
189.12732	31.3
191.10580	2.1
191.14389	2.0
193.12250	100.0
199.11192	25.8
207.13739	10.4
211.13159	2.3
215.05450	3.5
215.14336	2.8
217.12242	97.0
219.08601	3.5
222.71605	1.8
227.07227	2.0
227.10684	2.0
229.14360	3.8
233.15344	4.9
235.13297	79.0
249.14716	2.1
251.16443	5.6
253.14539	8.4
267.16006	2.7
291.15808	9.2
298.90576	1.6
309.16943	30.8
323.09204	1.7
327.18036	2.9
337.16431	5.0
455.22208	3.0
481.20642	7.7
483.64468	2.0
499.22134	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	499.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58194	3.8
55.01871	4.5
55.05516	21.1
57.03455	5.0
60.99561	4.1
65.92905	4.0
67.05489	6.0
68.99791	5.4
69.03439	20.0
69.45535	10.9
69.45943	19.3
71.05019	22.7
79.05482	5.0
81.03415	17.8
82.84866	4.3
83.04964	20.4
85.02911	23.8
87.00832	8.7
89.04613	4.0
91.05481	8.7
93.07034	7.2
95.04955	6.0
95.08640	5.0
97.02898	9.7
105.07051	9.3
109.02895	9.4
109.10163	16.2
119.08605	5.9
121.06499	5.3
122.46177	3.7
123.04486	3.8
127.03918	15.9
127.11196	100.0
131.08524	4.6
136.06241	8.4
137.05956	8.5
145.04912	4.9
145.10143	6.3
147.08133	7.7
151.07556	18.4
155.08478	5.3
159.11702	5.0
163.11070	5.6
164.08382	5.0
173.09697	7.7
175.07512	4.8
177.09134	10.2
201.08987	5.5
205.90491	4.1
215.14250	6.4
233.15428	28.4
250.15631	4.3
251.16426	30.2
275.16391	4.3
317.17462	7.2
381.10184	24.5
399.10767	6.2
446.03436	4.3
499.16614	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	498.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30769	2.5
53.03942	4.4
53.31104	2.6
55.01864	5.1
55.05516	13.2
57.03433	4.2
57.07066	10.6
59.05001	41.3
61.02919	4.0
67.05477	4.5
68.08080	2.7
69.03444	16.4
69.07070	60.4
70.06587	3.3
70.66116	4.0
71.04982	3.5
71.08632	12.1
72.29097	2.6
73.02924	3.1
73.06549	6.3
81.03429	15.2
81.07053	8.3
85.02905	45.4
85.10176	9.6
87.00826	23.3
87.04473	9.5
91.05481	2.8
93.07047	2.8
97.02879	21.7
97.06525	2.7
99.04452	7.3
105.01876	28.5
105.05507	23.0
108.04484	5.3
109.02883	19.4
109.10145	4.0
111.11726	69.9
117.05497	4.0
127.03925	35.1
127.11202	2.9
129.12756	100.0
133.10181	3.6
145.04976	16.7
146.06001	6.9
153.52020	2.5
159.02917	5.4
168.06616	4.8
174.05536	4.0
211.08656	9.7
215.16434	18.7
224.10925	3.6
225.10219	9.3
231.05051	9.8
239.11833	11.0
241.09474	3.1
249.06133	4.0
253.09721	4.6
263.31931	2.7
267.11349	13.7
269.17438	6.5
295.10645	9.0
297.12253	4.8
313.11816	49.9
323.10428	3.0
341.11194	25.2
359.12378	3.3
373.13959	87.1
466.19553	4.6
498.21387	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	498.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.7
57.07076	37.2
64.90125	1.2
67.05495	3.0
69.03407	1.2
69.07067	3.5
71.08636	21.9
73.06556	6.8
81.07056	3.5
83.08640	1.5
85.10191	18.8
87.04469	3.2
89.06033	100.0
95.08587	1.6
96.37728	1.1
97.10164	3.8
99.11726	5.3
105.07031	1.4
107.07075	1.7
109.10137	2.5
113.13297	1.7
117.09144	3.4
121.10052	1.2
133.08604	45.1
139.03844	1.4
145.10194	1.5
155.17970	3.9
177.11247	14.2
199.20609	3.3
221.13719	2.5
233.25708	1.4
239.15009	1.6
243.23199	7.7
283.17523	1.9
287.25769	2.9
327.20142	10.7
393.31873	1.6
410.66479	1.3
481.37256	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	499.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	4.9
82.99896	2.5
84.96041	2.0
85.02898	2.8
86.19666	2.3
97.02909	2.9
98.97585	11.9
101.00883	21.3
103.02413	5.1
103.05417	3.2
110.97558	3.3
113.00887	6.1
115.02384	2.8
116.98588	4.0
118.08660	2.7
119.01933	27.0
127.02442	15.1
128.98622	3.6
131.01920	18.1
131.04926	10.9
133.03497	2.6
137.06003	2.9
139.02371	4.2
143.00208	2.2
143.01906	29.9
145.03476	43.7
147.04385	4.3
148.05154	4.8
155.01895	33.7
156.98079	2.0
157.03505	20.4
157.07971	2.2
158.99631	3.0
161.02977	24.4
163.07533	8.1
167.01889	13.0
169.03442	4.6
170.99753	3.4
171.01411	6.9
171.05078	5.3
171.86508	2.1
173.02975	47.0
174.99152	3.3
175.04608	5.6
179.01964	5.8
183.01396	3.5
185.01341	4.1
185.02969	46.9
187.04555	6.2
189.02478	8.0
191.04054	3.4
193.00233	2.2
197.02945	17.6
199.00906	5.7
199.04486	3.5
201.00700	6.5
201.02396	2.1
203.02196	2.7
203.03999	12.0
205.03668	3.5
209.03104	5.0
215.03987	8.3
216.99991	2.0
217.01964	48.5
218.02403	2.3
219.01773	6.8
221.02968	21.1
221.05119	6.7
222.03384	2.4
227.04056	10.7
229.01924	7.6
235.02907	11.1
237.02879	4.7
237.11366	2.4
239.04059	4.3
245.05070	100.0
247.02771	4.6
247.04866	5.1
257.05106	16.8
259.04593	3.0
261.02765	5.2
263.06186	8.4
265.05615	3.8
273.08185	9.2
275.06219	12.0
277.04025	15.8
291.09451	5.7
293.07254	3.6
301.04086	7.8
305.07178	9.6
307.06659	2.7
319.05106	25.7
319.08856	4.2
321.04810	4.0
335.08115	5.7
337.06284	23.5
337.10034	4.0
347.06299	4.5
349.07706	8.6
365.09140	7.5
367.08868	4.9
383.07919	5.8
439.13382	3.0
481.09741	2.2
499.11050	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.7
55.01866	5.5
55.05505	11.6
57.03434	5.7
57.07080	13.0
59.05008	40.0
64.03519	2.7
67.05508	5.3
69.03438	19.0
69.07075	60.0
70.44261	7.6
71.05007	3.7
71.08657	17.6
73.02924	3.3
73.06561	9.3
79.05500	3.2
81.03418	17.4
81.07047	6.8
83.88912	3.2
83.89461	2.9
85.02913	43.3
85.10191	8.1
87.00829	21.9
87.04467	11.8
93.07039	5.0
97.02906	24.7
98.20823	2.9
99.04472	5.5
105.01873	26.2
105.05507	20.7
107.08610	2.8
108.04469	6.2
109.02894	17.6
111.11731	75.6
113.29113	3.2
113.78526	2.7
117.01859	3.4
124.07672	3.8
127.03920	35.0
127.11195	3.8
129.12772	100.0
145.04979	13.6
146.06021	4.2
159.02959	8.1
159.11676	3.5
164.32196	2.6
168.06682	5.5
174.05559	4.1
182.02910	2.9
199.15340	2.9
206.08173	7.9
211.08734	8.2
215.16420	25.1
224.89096	3.0
225.10280	5.9
231.05046	9.8
239.11833	12.0
243.16028	4.7
249.06082	5.2
253.09790	9.6
255.11214	3.4
267.11292	17.0
269.17502	9.2
285.12393	3.4
294.18188	2.9
295.10883	8.6
297.12286	4.1
313.11816	48.8
323.10306	3.6
341.11401	30.9
355.13004	3.3
359.12354	3.1
373.14005	95.9
464.28296	2.9
466.19531	4.8
498.20126	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	498.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05741	1.8
53.03935	2.5
54.33424	1.7
55.01878	2.8
55.05516	60.3
56.05042	24.0
56.69507	1.9
56.76781	1.7
57.03437	4.0
57.41514	1.9
58.17915	1.8
67.05495	5.3
69.03430	16.0
70.06588	2.4
70.62493	6.1
71.70899	2.2
74.06081	20.8
79.05476	6.9
81.03421	5.2
81.07048	5.1
82.06579	6.6
83.04985	100.0
84.04504	13.3
84.08112	2.4
85.02902	4.7
85.06552	3.7
86.06074	2.6
91.05482	13.6
93.07047	7.8
94.06573	6.5
95.04987	9.3
97.02886	4.7
97.06552	3.0
98.06056	2.0
99.04440	2.7
100.07630	5.9
102.05542	25.5
103.05476	2.0
105.07027	11.4
107.04984	5.7
107.08574	2.0
109.06500	3.7
109.10148	2.4
110.06064	2.6
111.04465	3.4
112.07582	2.6
115.05459	3.7
117.07011	7.6
119.08575	7.5
120.06594	19.0
120.08071	5.4
121.06532	7.0
123.04427	2.1
124.07598	2.9
126.09135	3.4
128.06194	2.0
128.07104	3.5
129.06992	5.1
130.05026	5.7
130.22725	2.1
131.04892	2.7
131.08546	3.0
132.08049	2.1
133.06500	2.9
134.09631	2.8
135.08003	2.0
136.06194	8.7
136.07503	2.2
137.05956	3.4
138.05458	2.6
138.09132	3.2
139.75035	2.0
141.06952	3.4
143.08521	5.5
145.06454	3.7
145.10115	5.2
146.09663	2.5
147.08046	2.8
148.07620	3.4
149.06017	2.3
152.07166	2.5
153.05515	2.0
155.08495	4.5
156.06575	2.2
157.07451	3.2
157.10123	2.4
158.09636	4.0
159.08049	5.7
161.05933	2.2
161.09628	2.9
163.07561	3.1
163.11177	2.8
164.06996	2.1
167.07071	2.7
169.10120	4.4
172.11264	2.3
173.09557	8.9
174.07614	6.7
178.08594	2.3
184.07387	2.0
184.09770	4.0
184.11238	2.9
185.09621	2.5
187.07520	2.3
190.08583	3.0
191.07007	5.1
191.09154	2.1
191.10750	4.0
197.09569	3.9
199.11198	2.6
200.09177	7.4
201.09120	7.4
202.08743	4.1
202.10738	8.0
204.10248	2.4
205.08562	3.6
215.10677	7.5
217.08646	5.5
229.14400	2.1
236.09187	4.0
243.10165	10.7
244.13504	2.4
250.07063	2.3
261.11270	15.7
268.11661	3.2
274.10391	2.5
279.12201	2.6
292.11780	3.3
306.13138	2.6
316.15366	2.9
318.13181	3.6
334.16507	7.4
350.15857	3.3
352.17538	7.0
361.16345	7.4
362.16083	14.5
379.17398	2.2
380.17056	70.4
388.39716	2.4
391.30911	2.2
398.18088	27.9
425.66574	2.4
462.21286	3.5
480.22375	10.2
498.23425	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.1
55.01860	4.4
55.05515	81.9
56.05042	35.2
57.03452	4.9
65.03944	2.8
67.05494	7.2
69.03087	3.9
69.03432	52.7
69.07070	35.9
70.06599	4.6
70.07397	10.5
71.02066	6.7
71.04996	3.6
74.06091	20.4
74.62543	2.3
79.05492	6.6
79.13078	2.5
81.03421	6.1
81.07055	6.0
82.06567	11.8
83.04988	100.0
83.49158	2.3
84.04043	3.7
84.04513	33.5
84.08153	5.2
85.02922	12.5
86.06069	12.1
87.00817	4.7
87.04499	3.4
88.04008	13.1
88.94420	2.3
89.86272	2.2
91.05505	19.4
93.07057	13.7
94.06573	6.7
95.04957	10.9
95.08593	4.3
95.09179	2.5
96.08093	3.6
97.02880	7.0
97.06532	6.7
98.06046	8.8
98.06905	3.4
99.10557	2.8
100.07616	9.4
102.05553	53.9
103.05475	3.3
105.07054	14.1
107.04996	4.7
107.08563	3.5
108.08107	4.0
109.06511	4.1
110.06029	9.4
111.04440	6.3
112.04017	3.0
112.07611	6.4
113.05997	19.3
117.07008	12.1
119.04915	3.3
119.08592	4.8
120.06590	11.8
120.08120	2.9
121.06487	25.1
122.06013	4.8
123.06374	2.9
123.08067	2.6
124.07577	3.6
126.09158	6.9
127.03938	6.7
128.06215	5.7
128.07079	13.5
129.07013	9.6
130.05005	11.2
130.08632	3.5
131.05768	4.6
131.08588	5.7
132.06522	3.7
133.06487	9.5
135.04434	7.3
135.08084	4.3
137.05984	4.9
138.05496	6.4
138.09142	6.0
140.07111	5.9
141.06918	3.1
142.07784	4.4
143.08525	6.9
145.06474	8.9
145.10117	10.0
146.08124	7.8
147.08032	9.0
149.05995	14.7
149.09680	3.2
150.05515	34.4
151.05881	16.1
151.07571	14.8
155.08585	5.3
156.06569	5.2
157.07454	4.3
157.08890	2.5
158.07222	3.7
159.08046	8.1
161.05965	3.2
161.09647	4.8
162.09013	3.3
163.07515	7.6
164.07101	3.2
166.05005	8.9
167.05254	5.1
167.07050	8.0
169.10124	6.9
170.08215	5.0
170.09631	3.1
171.08041	4.4
172.09851	3.2
173.06018	3.7
173.09650	12.2
174.07671	20.7
175.11256	2.7
175.13049	2.6
177.09023	3.5
179.07066	6.3
180.06664	4.8
184.09712	9.5
186.08994	2.9
187.11220	5.3
189.09163	4.4
190.08626	3.2
191.07060	8.8
191.10812	4.3
191.12662	4.3
194.08183	3.3
197.08070	7.3
197.09662	7.8
199.11217	3.3
201.09109	9.9
202.10724	11.9
202.12392	4.9
205.08630	10.5
213.09082	4.4
215.10748	13.8
216.10269	4.9
217.08549	4.4
217.10423	2.7
218.11850	6.8
219.12062	10.7
223.09679	5.9
228.10205	9.4
229.10522	7.6
233.11662	3.6
234.11380	2.7
243.10164	14.5
246.11194	8.1
247.11555	10.4
249.11243	2.7
261.11230	91.9
267.11990	2.7
268.11829	5.8
279.12354	21.6
288.10483	4.1
289.11838	3.2
290.12076	3.0
295.14160	15.9
300.10556	4.7
317.11261	9.0
318.11539	19.4
334.16437	9.7
335.12405	27.1
336.12668	71.6
350.16119	5.8
352.17410	7.5
362.15939	10.9
368.17136	7.1
370.18643	5.8
380.17050	46.3
394.18204	3.6
398.18167	72.6
480.22568	17.7
498.23514	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.8
53.00314	1.9
53.03946	8.4
55.01872	7.8
55.05516	23.1
55.30765	1.3
57.03441	34.5
57.07077	1.9
59.05001	1.9
61.02929	82.5
61.51217	1.5
63.81505	1.4
65.03932	2.3
67.05508	91.2
69.03432	45.0
69.07066	19.1
70.69125	4.2
71.01360	5.7
71.04995	8.6
73.02924	37.3
75.04463	2.7
77.03896	1.6
79.05495	57.7
80.43501	1.6
81.03426	26.4
81.07059	84.4
83.04991	8.4
83.08625	11.6
85.02908	79.5
85.06550	2.6
87.04463	4.0
91.03960	56.5
91.05477	34.7
93.07050	62.4
95.04977	6.0
95.08611	69.4
97.02897	64.4
97.06530	4.9
97.10160	5.1
99.04469	13.1
99.08107	1.8
101.02372	14.9
103.03938	10.8
105.07037	28.2
106.22622	1.7
107.04941	2.5
107.08602	32.6
109.02869	11.9
109.06519	3.3
109.10164	37.9
111.04462	4.0
111.08094	4.1
115.03943	6.7
117.05537	3.9
117.07019	11.9
119.08582	24.1
121.10152	35.6
123.08064	2.8
123.11745	11.8
127.03912	33.1
129.05490	6.0
129.07007	4.7
131.08575	19.4
133.06406	2.1
133.10136	14.0
135.11696	18.9
137.06027	1.8
137.09644	3.3
137.13258	3.1
143.08569	3.6
145.04948	11.7
145.10144	10.8
147.11687	13.8
149.09641	3.5
149.13266	12.8
155.08582	2.0
157.10165	3.6
159.06512	2.7
159.11694	12.8
161.13258	8.0
163.11195	2.1
163.14816	3.8
165.12752	1.7
173.13228	10.0
175.14832	4.0
183.06560	3.8
183.11748	2.6
187.14845	6.4
199.14824	1.7
201.07588	5.4
231.13887	2.1
243.21124	6.7
249.14923	2.3
259.20609	3.9
261.22134	24.7
279.23172	2.0
303.23169	2.9
317.24786	2.4
319.25848	1.8
326.49557	1.6
335.25812	100.0
336.25864	2.6
341.24609	1.9
345.24173	1.9
351.23346	2.2
363.25293	3.8
369.24475	3.0
387.25302	2.0
405.26157	2.3
461.28879	3.0
479.29865	5.3
497.31158	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	7.5
55.01875	4.2
55.05516	25.2
56.88798	3.3
57.03440	24.4
57.07072	4.0
61.02932	45.3
65.03947	3.3
67.05511	63.8
69.03430	36.9
69.07070	23.1
69.77151	21.4
71.01342	6.0
71.05010	17.0
73.02916	21.2
77.79541	2.9
79.05494	47.6
80.62257	3.0
81.03422	18.1
81.07062	69.5
83.04965	9.1
83.08611	9.8
85.02518	3.6
85.02915	42.4
91.03957	27.4
91.05489	40.2
93.07049	51.6
95.04954	6.5
95.08610	56.4
97.02897	37.2
97.10155	8.4
99.04464	11.3
101.02370	7.1
103.03954	7.6
105.07036	30.8
107.08598	55.5
109.02883	7.4
109.06510	8.0
109.10164	31.6
115.03900	4.0
115.05397	3.4
117.07024	11.9
119.06120	3.8
119.08582	17.3
121.06496	8.7
121.10133	25.8
123.04423	5.4
123.08128	7.0
123.11694	9.7
125.09618	7.9
127.03934	13.0
127.11184	16.7
129.05519	4.8
129.06995	10.1
131.08601	20.9
133.10107	13.5
135.08038	16.9
135.11670	10.9
137.06004	37.8
141.06976	4.1
143.08533	9.2
145.06453	7.0
145.10149	15.6
146.20074	3.2
147.08038	7.6
147.11674	10.2
149.09627	10.5
149.13258	8.5
150.06842	4.4
151.07556	26.5
152.08336	5.7
157.10178	5.1
159.08151	4.6
159.11760	8.1
161.05984	32.9
161.09621	10.5
161.13258	7.8
163.07556	45.4
163.14703	4.6
164.08301	10.4
169.97426	3.1
173.13300	6.2
174.06712	3.1
175.07555	55.9
175.14787	3.8
177.09109	30.6
178.92816	3.4
183.11745	4.0
187.14760	5.4
189.09125	22.7
191.10609	4.3
193.08543	6.5
203.14485	3.9
211.11078	3.9
213.12825	3.3
216.11501	4.9
229.12248	7.5
231.13792	100.0
246.96611	3.8
249.14996	23.0
250.15567	7.4
261.22144	12.2
291.99084	3.3
315.23120	3.5
335.25897	40.3
369.23874	5.5
394.72284	3.0
479.27997	21.1
497.29449	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	497.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80265	1.9
55.05497	7.9
57.07069	3.0
60.08165	15.3
61.08498	2.6
67.05515	19.7
69.03414	6.6
69.07054	6.8
69.40691	15.4
69.85562	1.9
71.04991	41.0
71.07352	5.1
71.08640	2.2
79.05482	7.4
81.07066	11.4
83.01354	4.4
83.04968	4.0
83.08595	5.2
85.02921	2.4
86.09232	2.6
86.09715	42.7
87.10036	7.9
91.05463	9.3
93.07034	6.1
95.08599	8.3
97.02852	2.3
97.10220	2.7
98.98479	6.6
104.10751	69.4
105.07022	11.8
105.11078	13.6
107.04966	4.3
107.05648	1.9
107.08585	12.6
108.45144	2.0
109.06517	2.7
109.10160	29.5
115.05470	2.9
115.14174	1.9
117.07032	3.0
119.08563	8.2
121.06514	13.5
121.10117	2.5
123.04398	4.8
123.08093	2.8
125.00002	31.9
125.05972	4.9
125.09601	9.4
126.00388	1.9
127.03915	2.8
127.11201	100.0
129.07007	3.3
131.08562	4.9
133.06462	5.7
135.08051	9.5
137.06000	15.9
139.03946	3.3
141.07010	3.5
143.08585	3.6
145.10168	2.7
146.07193	2.3
147.08067	13.4
149.05968	2.4
149.09642	4.8
151.03979	2.1
151.07587	9.5
153.05478	9.6
155.03375	4.2
159.08066	17.2
161.05991	54.5
161.09598	8.7
163.07574	11.3
165.05553	2.3
165.09125	2.4
167.07092	12.9
170.75935	2.1
173.05980	2.5
173.09650	4.0
173.13164	2.6
174.06801	3.1
175.07552	42.0
177.05548	11.0
177.09108	24.9
179.07060	6.8
184.07350	94.1
185.07712	22.8
187.07552	6.3
189.09073	7.5
191.07066	12.1
191.10712	2.2
193.08586	12.7
199.11302	4.7
201.12866	4.2
203.10660	2.9
205.08559	4.5
205.12236	3.9
214.13493	2.7
215.10658	3.3
215.14267	9.6
217.12312	2.1
227.10568	2.9
229.12250	25.2
230.12773	3.0
231.13739	15.0
233.15442	12.3
235.13321	2.5
245.11685	5.6
247.13297	45.6
248.14130	3.5
249.14839	4.7
251.16402	16.0
257.08313	1.9
263.12735	9.7
278.57233	2.1
353.17474	3.6
423.21713	7.9
461.26654	5.6
479.27869	61.5
479.33334	4.3
497.27682	13.5
497.35098	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	497.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80265	1.9
55.05497	7.9
57.07069	3.0
60.08165	15.3
61.08498	2.6
67.05515	19.7
69.03414	6.6
69.07054	6.8
69.40691	15.4
69.85562	1.9
71.04991	41.0
71.07352	5.1
71.08640	2.2
79.05482	7.4
81.07066	11.4
83.01354	4.4
83.04968	4.0
83.08595	5.2
85.02921	2.4
86.09232	2.6
86.09715	42.7
87.10036	7.9
91.05463	9.3
93.07034	6.1
95.08599	8.3
97.02852	2.3
97.10220	2.7
98.98479	6.6
104.10751	69.4
105.07022	11.8
105.11078	13.6
107.04966	4.3
107.05648	1.9
107.08585	12.6
108.45144	2.0
109.06517	2.7
109.10160	29.5
115.05470	2.9
115.14174	1.9
117.07032	3.0
119.08563	8.2
121.06514	13.5
121.10117	2.5
123.04398	4.8
123.08093	2.8
125.00002	31.9
125.05972	4.9
125.09601	9.4
126.00388	1.9
127.03915	2.8
127.11201	100.0
129.07007	3.3
131.08562	4.9
133.06462	5.7
135.08051	9.5
137.06000	15.9
139.03946	3.3
141.07010	3.5
143.08585	3.6
145.10168	2.7
146.07193	2.3
147.08067	13.4
149.05968	2.4
149.09642	4.8
151.03979	2.1
151.07587	9.5
153.05478	9.6
155.03375	4.2
159.08066	17.2
161.05991	54.5
161.09598	8.7
163.07574	11.3
165.05553	2.3
165.09125	2.4
167.07092	12.9
170.75935	2.1
173.05980	2.5
173.09650	4.0
173.13164	2.6
174.06801	3.1
175.07552	42.0
177.05548	11.0
177.09108	24.9
179.07060	6.8
184.07350	94.1
185.07712	22.8
187.07552	6.3
189.09073	7.5
191.07066	12.1
191.10712	2.2
193.08586	12.7
199.11302	4.7
201.12866	4.2
203.10660	2.9
205.08559	4.5
205.12236	3.9
214.13493	2.7
215.10658	3.3
215.14267	9.6
217.12312	2.1
227.10568	2.9
229.12250	25.2
230.12773	3.0
231.13739	15.0
233.15442	12.3
235.13321	2.5
245.11685	5.6
247.13297	45.6
248.14130	3.5
249.14839	4.7
251.16402	16.0
257.08313	1.9
263.12735	9.7
278.57233	2.1
353.17474	3.6
423.21713	7.9
461.26654	5.6
479.27869	61.5
479.33334	4.3
497.27682	13.5
497.35098	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	497.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
55.05511	7.7
56.20325	1.5
57.07062	1.8
64.71151	1.5
65.03962	1.7
67.05509	13.9
69.03414	6.3
69.07073	14.5
69.70511	4.3
69.70898	3.7
71.04984	7.3
72.00661	1.7
75.08546	1.3
78.30264	1.5
79.05495	14.3
81.07058	21.1
83.08602	5.5
91.05505	8.8
93.07048	6.1
95.08605	11.0
105.07047	11.6
107.04983	4.0
107.08591	21.6
109.06516	6.2
109.10155	15.5
117.06996	2.9
119.08551	9.6
121.06515	13.2
121.10126	7.4
123.04440	5.8
123.08061	4.1
125.06001	2.5
125.09655	7.7
127.11198	5.2
128.06258	2.7
129.06964	3.3
131.08557	3.4
133.06494	4.0
133.10126	4.0
135.08093	9.3
137.05988	43.0
142.07729	1.6
143.08582	6.7
145.06517	3.6
145.10118	4.5
147.08067	9.1
147.11629	2.0
149.06032	3.4
149.09645	13.1
150.06770	2.1
151.07552	33.5
157.06525	1.9
157.10144	2.8
159.08034	6.2
159.11676	2.6
160.05258	2.5
161.05992	24.6
161.09683	9.9
162.06767	3.1
163.07567	32.8
171.08041	3.7
173.09622	3.0
174.06757	5.4
175.07562	74.9
175.21165	1.7
176.08319	5.4
177.09117	53.2
185.09692	1.6
187.07587	2.5
187.11218	3.6
188.08333	3.7
189.09111	32.1
191.10696	2.4
193.08534	2.8
201.09135	3.0
201.12753	2.7
202.09920	2.5
203.10861	2.3
203.14259	8.0
205.51665	1.7
211.11406	2.1
213.12727	2.9
215.10669	5.3
229.12218	7.7
230.12996	2.6
231.13814	100.0
232.14554	11.1
247.13301	5.7
249.14784	8.5
265.12079	1.9
282.24918	1.6
379.18793	3.0
423.49457	2.0
461.26978	10.2
479.28088	11.0
497.28992	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	497.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.6
59.05006	3.0
61.57162	1.4
64.16512	1.7
66.80465	1.6
67.05527	4.1
69.03422	2.4
69.07092	4.3
69.37771	15.8
71.05002	22.5
79.05515	6.0
81.07076	5.1
91.05515	6.6
93.07060	5.0
95.04991	1.8
95.08649	4.9
105.07070	5.1
107.05092	2.2
107.08620	6.0
109.10201	5.6
117.07031	3.3
119.08628	8.0
121.06541	8.1
123.04447	2.9
123.08116	3.0
125.09681	3.7
127.11208	38.2
128.06216	3.1
129.06999	4.2
131.08626	4.0
132.05701	3.0
135.08084	4.9
136.84776	1.8
137.05969	10.6
142.07822	2.0
143.08617	5.6
144.09315	2.4
145.06537	3.0
145.10147	2.1
147.08076	4.5
149.06029	3.8
149.09682	3.8
151.07545	13.5
152.08382	1.9
155.08601	2.1
159.08093	6.8
159.11757	2.1
160.05289	3.4
161.06004	16.9
161.09660	4.9
163.07524	9.9
165.09163	1.8
169.10196	2.2
171.11746	2.5
172.08910	2.5
174.06807	3.1
175.07558	100.0
177.09138	13.3
183.11758	2.1
185.09714	2.1
187.07628	3.2
187.11237	7.1
189.09142	11.3
196.08922	2.2
199.07509	2.3
201.12805	3.2
203.10747	6.0
205.08635	2.0
205.12279	3.9
207.11652	2.3
215.10844	2.9
229.12262	45.7
230.12766	2.4
231.13791	11.0
233.15457	2.3
247.13290	56.5
292.83618	2.3
367.90976	2.0
433.27509	1.9
451.28418	6.0
461.26563	2.2
469.29654	2.8
479.28003	8.2
497.28897	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	497.29
Annotation	Mikagoyanolide
Peak:m/z	Relative Intensity
50.14348	1.8
55.05515	3.7
67.05499	19.6
68.20186	2.1
69.03442	2.1
69.07074	12.1
70.74953	3.7
71.04995	15.0
79.05491	5.0
81.07077	12.5
82.96605	2.1
91.05480	7.7
93.07052	5.7
95.08598	4.4
97.06518	2.2
99.08101	2.4
105.07047	9.0
107.08598	8.3
109.06558	3.5
109.10164	22.1
117.07022	3.3
119.08573	7.7
121.06542	10.7
121.10146	2.5
123.04421	2.7
123.08054	4.3
125.09645	8.8
127.11192	4.2
129.07031	3.5
131.08571	5.0
133.10117	4.2
135.08043	9.1
137.06004	15.9
137.09595	3.0
143.08482	2.8
145.06471	4.9
145.10135	4.5
147.08047	7.3
149.06018	2.4
149.09613	7.3
151.07568	20.5
152.70186	2.0
156.09366	2.7
157.10114	4.5
159.08078	6.3
161.05988	10.6
161.09644	6.7
163.07555	22.7
169.10135	2.2
173.09659	4.5
175.07565	100.0
175.11055	3.7
177.09129	22.5
185.09665	2.4
187.07544	3.0
187.11243	5.5
189.09097	13.7
193.08623	3.3
199.11125	2.3
201.12714	3.7
203.10699	4.7
205.12247	2.5
214.09904	3.4
215.10732	2.1
227.10730	2.7
229.12256	14.5
231.13811	26.8
239.10672	2.2
247.10872	3.4
247.13322	56.7
249.14920	4.9
295.04709	2.3
307.98380	2.1
374.25024	2.1
405.93738	2.1
433.27515	3.3
451.28326	6.8
461.26956	7.4
479.28253	9.3
492.14417	2.2
497.29056	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	497.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.7
55.05504	5.8
57.03423	1.8
57.07070	1.9
59.05016	1.7
61.02929	1.8
63.70014	1.7
65.03959	1.6
67.05505	8.5
67.05827	1.5
69.03427	6.5
69.07061	11.0
69.66976	1.7
69.77695	9.8
71.04997	20.6
79.05488	7.8
81.07072	10.5
83.01341	1.8
83.04957	2.3
83.08627	3.0
85.06549	3.5
91.05505	10.4
93.07038	5.0
95.04964	2.4
95.08624	11.7
97.02887	2.2
97.10195	3.9
99.04411	1.7
99.08092	3.9
103.05428	2.0
105.07037	10.3
107.04935	3.8
107.08596	31.3
109.06507	6.1
109.10181	7.9
115.05439	2.6
117.07018	4.9
119.08607	3.2
121.06517	13.9
121.10139	5.3
123.04443	5.5
123.08072	5.1
125.09646	16.1
127.11209	23.1
129.06995	1.7
131.08557	6.6
133.06485	3.8
133.10164	3.4
135.08078	21.7
137.05978	44.2
139.03918	2.6
143.08582	4.7
145.06502	4.3
145.10167	1.8
147.08058	4.8
147.11740	2.3
148.05174	1.7
149.05994	5.1
149.09622	10.4
151.03902	3.9
151.07555	34.9
152.08319	6.5
157.10078	2.6
159.08052	6.8
159.11703	2.4
161.05994	46.7
161.09650	12.9
162.06744	3.7
163.07553	70.9
164.08376	10.3
165.09109	2.8
171.08179	1.9
172.49689	1.6
173.09680	3.5
174.06801	1.9
175.07559	66.0
177.09108	35.8
179.10635	2.0
187.11244	2.3
188.08383	3.8
189.09143	23.0
192.38095	1.9
193.08557	5.5
196.08980	1.5
201.12848	2.0
202.09850	2.2
203.10564	2.2
203.14281	7.8
211.11177	2.1
213.12779	3.9
216.11496	2.6
217.12253	3.4
219.13974	1.9
229.12234	6.3
231.13811	100.0
231.97510	1.7
232.14519	3.8
247.13319	5.2
249.12444	2.5
249.14893	38.6
249.17400	2.6
250.13240	1.7
250.15544	9.0
267.10175	2.4
352.83807	1.6
393.20468	2.3
411.21738	1.9
426.40204	1.9
445.15884	1.9
461.26971	3.7
469.29242	1.7
479.27979	24.4
497.29074	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	497.2749
Annotation	Cussoracoside E
Peak:m/z	Relative Intensity
53.03943	5.0
55.05505	10.6
57.03417	4.6
61.02939	6.5
61.87919	3.0
65.03933	4.5
67.05505	19.3
69.03434	16.8
69.07053	8.5
69.70820	18.5
73.02920	2.9
74.31236	3.0
79.05130	3.0
79.05502	33.4
81.03403	11.9
81.07056	35.1
82.54459	3.0
83.04971	9.1
85.02438	4.9
85.02911	57.4
87.04474	3.2
91.05485	34.9
91.44471	3.9
93.06502	4.5
93.07051	52.1
95.04984	7.6
95.08607	41.0
97.02904	24.4
97.06535	8.9
99.04433	6.0
105.07035	55.0
107.08601	42.1
109.02850	6.2
109.06554	3.1
109.10149	28.8
111.04393	4.7
117.07030	16.3
118.37493	3.2
119.08591	47.7
121.06535	4.4
121.10157	41.5
123.08119	4.4
123.11692	7.2
125.09656	6.2
127.03886	12.3
129.07019	5.8
130.07829	3.3
131.08560	29.6
133.10132	44.4
135.11705	38.9
137.09619	5.6
139.11154	5.8
141.06941	4.6
142.07736	3.5
143.08562	18.0
145.04968	11.5
145.10132	52.1
147.10535	3.7
147.11697	63.7
149.09619	5.3
149.13277	17.6
151.11168	10.6
155.08540	6.6
155.10623	5.9
157.10121	20.0
159.11716	36.4
161.13283	20.5
163.11183	7.6
165.12775	7.0
169.10101	6.8
171.11717	15.4
173.09686	4.7
173.13269	17.0
175.11139	4.4
175.14818	5.9
179.10675	13.2
179.22498	3.0
181.12201	13.3
183.11769	17.4
185.13295	12.9
187.11093	3.9
187.14793	4.2
189.12729	7.9
193.12245	27.6
193.91020	3.0
195.11748	3.3
197.13210	27.1
199.14819	10.7
201.16379	4.8
207.13785	4.9
211.14819	15.2
213.16460	4.6
215.10645	4.4
219.13863	4.5
225.16333	5.1
227.17926	6.4
231.13962	3.3
241.19518	13.7
243.21109	16.3
249.14890	5.9
251.17865	4.1
253.19522	79.9
254.08649	3.7
255.21115	12.7
269.19089	11.1
271.20566	89.4
273.22089	9.0
281.19000	12.8
287.20169	18.9
289.18317	5.1
289.21613	100.0
299.20053	52.7
301.21722	4.3
317.21140	51.4
318.21835	3.3
319.22592	7.2
335.22165	39.1
335.89746	3.3
361.88867	3.1
409.52942	2.7
497.16797	5.9
497.27231	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	497.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	12.5
55.01873	10.1
55.05513	4.2
57.03432	7.9
61.02921	5.5
67.05499	10.2
68.99797	4.0
69.03434	48.5
69.07065	6.1
70.06601	2.2
70.97283	3.5
71.04993	7.3
71.66887	1.7
73.02927	7.8
79.05501	4.5
81.03422	42.5
81.07063	4.2
83.01360	4.1
83.04971	2.5
84.04519	2.4
85.02914	59.3
85.06556	16.2
87.00842	30.4
91.03953	1.9
91.05484	5.8
93.07050	7.1
95.04958	5.6
95.08605	5.5
97.02899	29.8
97.06557	3.4
99.04449	14.8
101.06029	2.6
102.05641	1.9
105.01880	18.7
105.07046	11.8
107.08595	9.1
109.02894	41.4
109.06538	4.0
109.10197	3.2
111.04459	3.4
117.01851	4.1
117.07006	3.5
119.08572	10.8
120.08087	2.3
121.06510	5.9
121.10130	3.7
123.08055	4.3
125.02361	2.0
127.03931	56.8
129.01840	7.2
129.07024	2.9
131.08598	5.1
133.06441	2.0
133.10136	8.4
135.08081	7.1
137.05977	4.9
137.09621	3.4
142.07742	3.5
143.08577	3.8
144.09415	2.1
145.04973	19.4
145.06471	2.2
145.10146	6.9
147.02844	4.8
147.08101	3.2
147.11678	2.8
149.09628	5.8
150.05466	2.8
151.07619	2.8
155.08589	2.5
157.10118	9.7
159.02879	19.8
159.08037	2.6
159.11737	3.2
161.06042	3.0
161.09618	2.3
161.13260	7.7
163.07544	8.4
165.09143	6.7
167.06978	5.2
171.11649	2.3
173.09660	6.7
175.07588	3.2
175.11163	4.8
175.14890	2.4
177.03981	2.5
177.05508	2.8
177.09146	8.6
183.11670	1.9
185.13274	8.8
187.11230	3.9
189.12756	8.6
191.10678	3.1
203.14343	6.6
207.13797	1.9
213.12798	3.3
231.04968	12.6
231.13805	16.9
249.11052	4.4
249.14879	100.0
250.15199	2.2
317.11191	2.4
335.12357	4.4
447.10873	2.0
453.20844	8.4
462.69855	2.3
475.90857	1.9
479.18765	3.1
497.20074	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	497.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.5
55.01869	6.8
55.05502	9.4
57.03450	7.6
61.02917	3.9
68.99792	7.3
69.03436	58.4
70.06592	8.0
70.74017	8.6
71.05000	7.6
73.02930	8.5
73.68157	2.9
76.19388	3.3
79.05497	9.2
81.03421	40.6
81.07055	11.4
83.04976	5.4
85.02911	90.1
87.00839	35.0
87.04483	4.6
91.05483	9.3
93.07033	8.2
94.20567	2.9
95.04982	7.2
95.08637	11.5
97.02900	26.7
99.04467	16.0
105.01870	16.0
105.07040	10.0
107.08592	16.1
109.02886	39.2
115.05505	2.9
117.01817	3.9
117.07046	4.1
121.06528	15.3
123.08044	5.4
124.72629	2.8
125.09632	18.6
127.03925	63.3
128.07074	4.5
129.01875	8.8
133.06512	3.1
133.10188	4.9
135.08037	20.4
136.07585	3.3
137.05989	41.6
143.08521	4.0
145.04959	20.8
145.10165	6.7
147.08112	4.0
149.05989	3.7
149.09624	4.7
151.07544	57.2
159.02864	16.0
159.08060	3.9
161.05983	4.7
161.09671	4.6
163.07539	44.2
163.11186	3.1
171.08040	4.6
173.09630	10.4
174.06833	7.0
175.07535	58.9
175.11108	4.8
176.08321	6.2
177.09064	24.0
187.07587	6.0
188.08333	3.2
189.03574	2.9
189.09105	20.5
191.10687	100.0
193.08618	3.1
201.09161	3.4
203.10715	3.3
213.03966	4.7
215.10677	10.0
215.14357	5.4
219.13802	6.6
229.12122	5.8
231.04985	11.8
231.13823	76.8
249.14897	42.8
295.14319	6.1
373.88620	3.5
453.20901	7.1
479.18622	4.6
497.19797	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	497.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10389	1.8
52.94128	1.8
53.03943	5.1
55.01867	6.8
55.05502	6.6
57.03427	8.2
61.02949	4.1
67.05517	2.6
68.99796	6.2
69.03436	35.7
69.42566	4.8
69.42981	9.4
70.06577	2.4
71.04998	9.4
73.02910	6.4
79.05482	4.1
81.03422	31.3
81.07064	3.2
83.04985	7.0
85.02913	73.8
85.06548	2.2
86.02425	5.0
87.00831	27.9
91.05486	6.5
93.07030	5.5
95.04949	2.1
95.08610	2.5
97.02908	24.3
97.40088	2.0
98.20802	4.8
99.04469	10.7
100.03983	3.2
103.03928	3.5
105.01888	14.0
105.07021	4.0
107.08597	6.0
109.02217	3.0
109.02892	27.5
109.10177	2.8
111.11723	1.9
117.07012	5.8
119.08595	5.9
121.06514	5.6
125.09640	7.4
125.23494	1.7
127.03926	49.6
128.03453	4.3
128.06236	2.7
129.01846	5.2
129.03751	2.4
129.06990	3.3
131.08556	4.3
133.06505	3.2
133.10129	3.6
135.08076	22.1
135.64499	2.1
137.04689	2.7
137.05986	10.1
143.01869	3.0
143.08592	4.1
143.54970	1.9
144.05708	4.1
145.04967	11.0
145.06450	4.1
145.10123	3.5
146.04486	6.1
146.07231	4.9
147.02899	3.6
147.08037	2.8
149.06085	3.3
151.07576	12.0
153.07114	2.3
157.10132	3.1
159.02849	9.7
159.08089	8.0
161.05981	2.5
161.09526	4.8
163.07562	100.0
167.07068	3.7
172.08878	3.6
173.09547	4.1
174.06772	2.4
175.07582	14.5
175.11165	2.9
177.05463	5.4
177.09161	2.7
185.13242	2.2
187.07559	9.3
187.11116	2.6
188.08267	4.3
189.04008	3.9
189.05507	10.4
189.09120	9.9
191.10663	13.5
195.06310	2.0
201.09171	3.3
203.10698	11.4
203.14276	2.2
205.08644	3.5
213.09077	2.3
215.10664	2.2
216.07600	2.2
216.11516	2.5
224.05905	1.9
229.08635	2.8
231.05048	8.6
231.10260	20.8
231.13802	37.4
249.11250	70.7
249.14851	23.8
271.04218	3.8
271.09848	2.1
289.05347	3.7
309.15549	2.6
411.19925	2.4
453.20886	14.5
463.79163	2.2
479.19580	9.2
497.19962	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	497.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42379	1.0
53.03952	8.4
55.01870	4.6
55.05507	2.6
56.58484	0.9
57.03434	2.4
61.02914	2.8
67.05540	1.0
68.99790	3.5
69.03089	1.5
69.03438	26.4
69.07056	2.0
70.71507	1.3
70.71844	1.9
71.04992	3.7
73.02923	6.3
79.05495	2.0
80.14146	0.8
81.03429	30.3
81.07063	4.0
83.01334	1.2
83.04996	1.1
85.02911	41.7
87.00832	17.0
87.04459	1.4
88.90565	1.1
91.04013	1.5
91.05485	1.2
93.07044	3.1
95.04953	1.5
95.08636	2.5
97.02905	18.1
97.06547	1.4
98.20736	1.3
99.04458	10.0
102.62179	1.0
105.01882	12.2
105.07014	3.2
107.08591	1.5
109.02147	1.5
109.02890	28.6
109.06548	1.0
109.10149	1.2
111.04385	1.4
117.01913	1.4
119.08575	2.1
121.06501	5.3
121.10114	2.1
125.09614	1.7
127.03928	40.3
129.01833	2.9
131.08549	1.5
133.06386	1.3
133.10121	4.4
135.04564	1.2
135.08058	1.7
137.05954	5.9
143.08574	1.1
145.04979	14.6
145.10097	2.9
147.02913	2.0
147.08052	1.3
149.06003	1.4
149.09619	1.2
151.07535	7.0
159.02919	19.4
161.05988	1.1
161.09685	1.5
163.07516	3.2
163.11186	2.1
168.53194	0.9
173.09625	3.5
175.07561	4.2
175.11227	2.3
176.08276	1.8
185.13237	1.5
189.09160	2.9
191.10683	100.0
192.11043	2.2
203.14368	1.4
213.03973	1.9
215.11072	1.2
219.13640	1.1
231.05034	6.8
231.13824	18.6
231.17581	1.4
240.06398	1.1
249.14882	18.6
453.20905	2.9
479.19089	1.7
497.20157	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	497.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51201	1.2
53.03938	1.4
53.54146	1.2
56.05057	1.4
57.03423	1.2
62.29380	1.3
67.05516	1.6
69.03419	3.8
69.07073	46.7
70.06587	2.0
71.50279	1.2
79.05482	2.6
81.03402	1.6
81.07041	2.0
84.04533	1.1
85.02914	6.7
94.06573	2.3
95.04956	1.2
97.02926	1.9
97.06537	8.3
100.12372	1.4
109.02890	1.6
116.13083	1.2
120.08073	1.5
122.06030	5.2
124.07622	3.6
127.03899	1.9
132.08032	1.5
132.74045	1.3
137.05963	3.2
137.09695	1.2
138.05479	4.5
140.07088	4.8
145.08896	1.2
146.09607	3.2
147.14134	1.2
148.03949	1.3
150.05516	59.3
151.90891	1.2
157.08905	1.6
161.08350	3.1
161.09598	1.2
162.09103	2.3
163.07529	1.9
166.05005	12.2
168.06647	1.3
172.07565	1.3
172.11147	3.5
173.08449	1.4
174.09119	1.7
174.12804	5.3
176.03468	4.0
178.04999	2.3
186.07657	2.0
188.10802	1.3
190.12253	4.4
200.10725	3.7
202.12260	5.0
216.10187	3.7
218.11755	17.3
227.11678	1.3
228.10251	11.5
231.13612	1.3
234.11269	3.3
244.09712	1.4
246.11288	14.4
255.11127	1.5
256.09729	1.5
261.08722	2.0
261.42905	1.3
271.10706	3.4
272.09088	2.8
273.12381	1.9
274.10715	2.1
287.10269	5.5
289.11902	6.8
291.13391	2.2
295.06000	1.9
299.10269	5.1
317.11328	28.3
323.05414	2.3
335.12393	100.0
336.12720	2.3
497.19354	3.7
521.80670	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76017	0.7
53.03944	0.9
54.32430	0.7
55.91982	1.0
57.03426	1.0
60.42613	0.8
61.02920	1.2
62.93818	0.8
65.54998	0.8
66.91922	0.8
67.05495	2.1
69.03432	5.9
69.07075	46.5
70.06596	2.1
71.50037	1.5
79.05505	1.7
81.03429	2.3
81.07058	2.9
85.02914	7.0
92.04998	1.9
94.06571	3.4
97.02885	3.5
97.06546	8.9
99.04442	1.2
108.04464	0.9
109.02898	1.3
109.06522	1.0
122.06035	5.2
124.07579	2.8
125.06033	1.1
126.09185	0.9
127.03932	1.8
134.31351	0.8
137.05971	2.6
138.05531	4.0
140.07095	4.6
144.07993	1.4
145.08907	1.3
146.09694	2.2
148.03987	1.1
150.05513	57.3
151.07591	1.3
157.08946	1.2
160.11124	1.0
161.08374	4.2
162.09171	2.7
163.07549	1.0
166.05017	15.5
172.11299	2.1
173.08348	1.6
174.12755	4.4
176.03412	4.3
178.04999	2.0
185.08292	0.9
186.07628	1.5
186.09181	1.2
188.10670	1.5
190.12227	4.1
194.04491	1.9
200.10750	5.2
202.12198	5.1
213.10286	1.1
216.10143	3.0
218.08411	1.0
218.11754	17.7
228.10240	11.9
229.13301	1.1
230.11543	1.0
231.13768	1.1
234.11301	2.2
235.43005	0.8
241.09769	1.0
243.11407	1.3
244.09787	1.3
246.11304	15.2
255.11278	0.9
257.09280	1.6
261.08694	1.1
262.10760	0.9
263.02423	0.9
271.10843	4.3
272.09167	2.7
273.12460	2.6
274.10663	1.9
287.10306	7.0
289.11740	8.5
290.10437	1.5
296.78574	0.9
299.10345	6.4
317.11371	29.5
318.09698	2.5
323.05460	1.7
335.12390	100.0
336.12643	1.9
447.57846	1.0
497.18985	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99422	0.6
55.05509	1.1
61.02923	1.2
65.03940	1.2
67.05495	2.6
69.03439	5.0
69.07073	49.9
69.92403	2.3
69.92811	1.2
73.02923	0.9
79.05459	0.6
80.05025	0.8
81.03414	2.1
81.07052	2.1
81.54037	0.7
83.04977	1.4
83.16962	0.7
85.02911	7.3
87.00822	0.9
92.04988	1.4
92.40316	0.7
93.07054	0.9
94.06577	3.3
95.04983	1.2
97.02927	3.2
97.06532	10.1
98.60976	0.6
99.04472	1.1
103.13922	0.6
108.04504	0.8
109.02901	1.3
109.06508	0.8
110.47768	0.6
117.07028	0.6
121.05257	0.7
122.06035	6.7
122.51600	0.8
124.07610	1.9
125.06007	0.7
126.09126	0.8
127.03944	1.1
131.08575	0.8
137.05998	2.8
137.23911	0.6
138.05521	3.4
140.07068	4.7
144.08130	1.6
145.08884	2.6
146.09676	2.9
147.06706	0.7
148.03964	1.9
150.05515	56.3
157.08862	1.5
159.10432	0.7
160.07584	0.8
161.08382	3.4
162.09186	2.7
164.07143	0.9
165.04216	1.0
166.05020	14.7
168.06516	0.9
172.07622	0.8
172.11211	4.1
173.08337	1.5
174.09157	0.9
174.12772	5.1
176.03444	5.4
178.05038	0.8
182.09592	0.8
185.08363	1.0
186.07634	1.4
186.09113	0.7
188.10712	0.8
190.12273	3.9
194.04460	1.3
200.07027	0.9
200.10739	6.5
202.12286	5.7
216.10271	3.9
218.08382	1.0
218.11763	18.4
226.08646	0.9
227.11705	0.7
228.10226	11.5
229.13397	1.0
234.11293	2.5
243.11339	1.7
244.09764	1.4
245.12926	1.2
246.11288	15.7
249.11160	1.1
253.09732	0.8
254.08075	1.0
255.11386	1.2
256.09683	1.4
257.09253	2.0
261.11465	1.1
262.10641	1.2
269.09311	0.8
271.10800	3.7
272.09222	2.4
273.12180	0.9
274.10754	2.8
287.10248	6.2
289.11893	9.0
290.10208	1.5
299.10306	5.4
317.11343	26.2
318.09503	1.6
335.12387	100.0
336.12784	1.2
398.18213	0.8
398.52557	0.7
401.54373	0.7
453.20712	1.3
481.30591	1.0
497.19904	4.3
508.81967	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	9.0
55.05513	16.8
67.05502	8.9
68.99788	16.1
69.03425	50.7
71.05010	12.1
71.50972	10.2
72.17643	8.5
79.05518	8.4
81.03432	51.3
81.07068	9.0
83.01388	7.2
83.04968	26.6
85.02906	80.8
87.00837	30.4
91.05511	10.4
95.04976	12.1
97.02900	26.1
99.04483	19.0
100.11256	11.3
103.03983	8.1
105.01866	28.0
105.07059	12.5
109.02232	8.3
109.02896	70.9
111.04459	18.4
120.48051	9.1
123.04400	15.7
123.08109	7.3
127.03938	100.0
128.08507	7.5
132.95874	21.2
137.05981	11.1
144.95840	8.1
145.04980	12.5
151.03941	10.6
158.97450	12.9
165.05499	8.0
169.05003	19.5
175.07494	8.0
189.04007	15.8
191.10690	18.5
198.96852	10.1
213.03915	11.0
216.98022	7.7
231.04997	13.4
231.13844	13.7
234.98952	8.8
249.01077	7.3
249.15053	10.5
273.06113	37.8
351.69244	8.7
396.04825	13.8
411.07401	32.8
457.46161	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.34
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
56.05034	0.6
56.32740	0.5
57.07066	2.6
58.06610	0.7
60.07892	1.1
60.08169	14.9
67.05494	0.5
69.07095	0.6
69.20168	4.8
69.20584	0.9
71.07381	6.1
71.08622	1.8
86.09711	38.7
95.08615	0.8
98.21548	1.3
98.98479	3.2
104.10751	97.0
109.10204	0.7
113.53818	0.5
125.00016	23.7
155.01898	0.6
184.07353	100.0
258.11108	1.6
297.27448	0.6
313.27466	2.5
348.75241	0.5
357.24673	0.6
478.32944	10.0
496.34012	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	497.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.4
55.01859	10.2
55.05502	15.3
57.03444	4.4
59.05019	4.0
61.02940	6.1
65.03971	3.8
67.05508	22.7
68.99784	7.7
69.03431	52.0
69.07049	4.8
70.31765	8.8
70.32153	12.1
71.01344	4.8
71.04993	18.9
79.05486	15.1
81.03429	51.1
81.07059	15.8
83.04971	10.0
85.02902	86.5
87.00847	25.8
91.05471	15.7
93.07047	9.9
95.04951	15.3
95.08650	8.9
97.02898	39.6
97.06560	5.5
99.04445	14.1
103.03930	8.1
105.01848	24.4
105.07028	17.3
107.04932	7.0
107.08589	13.7
109.02879	62.7
109.06535	10.5
109.10137	9.8
111.04458	17.1
115.03954	3.7
119.04951	4.2
119.08582	9.6
121.06477	6.7
121.10129	6.0
123.04457	14.0
123.08078	7.0
125.02382	6.7
125.09635	12.6
127.03919	100.0
127.11169	20.9
131.08545	7.2
133.06480	3.8
133.10153	5.5
135.08083	11.1
135.11560	5.0
137.05968	14.2
139.03957	5.3
141.05464	4.3
143.08536	6.5
145.04979	10.2
145.10144	5.7
147.02905	4.2
147.08159	5.0
149.09604	5.8
151.03891	14.7
151.07558	16.3
157.10170	7.1
159.02835	7.4
159.08069	10.9
161.05968	16.1
161.09644	8.1
163.07507	21.1
165.05446	4.9
169.04924	17.3
171.02875	7.6
171.11691	6.2
173.09647	8.4
175.03831	3.9
175.07591	21.4
177.09117	11.9
187.06070	11.1
189.03951	22.9
189.09053	7.6
193.04988	9.5
213.03986	10.5
216.11272	3.9
229.12146	8.5
231.04985	12.1
231.13876	21.7
235.06027	4.2
247.13380	30.8
249.14833	6.0
255.05109	5.5
273.06100	47.2
319.16406	4.3
339.07095	5.3
443.07800	4.4
461.26498	6.1
479.27811	14.0
497.28854	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	497.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	21.7
57.03446	13.9
65.93813	8.5
67.05476	9.3
69.03433	67.0
69.91420	8.3
70.61970	7.7
71.04570	13.3
79.05468	11.9
81.03423	51.2
83.04984	28.8
85.02924	100.0
87.00830	40.2
93.07038	11.1
95.04994	19.3
95.08614	14.0
97.02892	45.0
99.04472	17.4
100.11312	16.9
103.03993	8.5
105.01878	23.5
105.07011	12.1
107.08607	12.9
109.02895	59.9
109.06509	11.6
111.04439	22.5
119.08603	15.1
121.10099	9.7
123.04405	13.5
127.03918	83.1
132.95827	15.6
133.10133	8.6
137.06006	11.3
145.04936	18.1
145.10112	10.5
147.04434	12.8
149.09645	20.3
151.03909	14.0
159.02850	8.4
163.03961	12.4
168.95682	9.7
169.04951	26.2
187.06032	9.3
189.03992	15.3
191.10664	14.9
200.85361	7.8
216.97906	11.3
231.05080	16.7
231.13850	15.3
234.98975	11.1
249.14870	20.1
264.90878	8.4
265.98901	15.4
270.01633	8.1
273.06033	28.2
281.62027	7.8
294.02069	8.7
299.71991	8.3
309.03860	10.4
396.05368	10.9
411.07379	37.6
454.07315	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	496.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.1
56.05039	0.5
57.03445	0.3
57.07073	0.5
58.06364	0.2
58.06633	0.4
59.07396	0.2
60.08169	6.3
70.06609	0.1
70.44095	0.3
71.07376	3.3
71.08646	0.6
81.07064	0.2
85.10192	0.2
86.09711	30.4
88.98707	0.1
95.08585	0.2
98.98475	3.2
104.10751	3.5
125.00014	21.7
133.94667	0.1
172.29530	0.1
184.07350	100.0
185.07724	0.6
258.10989	0.2
313.27353	0.3
478.33060	1.2
496.33972	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02419	2.0
53.03949	13.6
53.98995	1.9
55.01875	18.4
55.05514	6.2
55.64700	2.0
56.26925	2.1
57.03441	2.9
64.40123	2.0
65.03939	5.0
67.05510	17.5
69.03426	9.8
69.07097	2.9
71.11951	4.4
73.02900	2.3
79.05494	26.4
80.56079	2.1
81.03412	17.3
81.07056	9.9
83.04991	2.6
83.08627	3.0
85.02899	14.5
87.00847	5.3
89.03928	3.1
91.05486	76.7
93.07050	7.8
95.04959	8.9
95.08639	3.2
97.02904	5.2
99.04439	4.5
103.05466	6.5
105.01921	3.4
105.04520	2.9
105.07034	22.2
107.04942	3.4
109.02895	5.6
115.05461	52.5
116.06206	4.2
117.07016	25.4
119.08598	8.8
121.06465	2.8
121.83720	2.4
127.03931	8.6
128.06235	100.0
129.07019	48.9
130.07774	4.8
131.08549	12.5
133.06525	3.6
135.08069	3.3
141.06992	34.4
142.07800	18.0
143.08565	27.9
145.04993	3.9
145.06516	6.4
145.10147	6.2
152.06198	20.4
153.06995	22.3
154.07751	9.8
155.06062	8.9
155.08577	12.3
157.06432	4.5
157.10118	5.6
159.02898	3.8
159.08061	3.3
163.07571	3.9
165.07011	43.1
166.07808	5.4
167.08559	18.0
169.10132	5.8
170.07269	3.4
171.08017	14.7
175.07573	3.4
178.07806	5.3
179.08566	9.9
180.09334	7.1
185.09653	2.2
195.11656	11.3
213.12788	3.6
226.17368	2.8
353.50012	2.4
496.27591	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	496.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.9
55.01869	2.6
55.05518	63.2
56.05032	2.0
67.05499	5.5
69.03442	13.8
69.07064	3.1
70.06595	4.8
71.50014	3.1
72.04522	3.6
72.07813	2.2
72.08170	26.3
72.53853	1.9
79.05476	4.2
81.07056	5.2
82.06594	6.0
83.04990	70.0
84.04043	3.5
84.04509	36.2
84.08134	3.2
85.02885	2.3
86.02441	2.6
86.06063	4.3
89.06025	3.1
91.05490	11.4
93.07037	6.0
94.06590	2.5
95.04961	5.5
96.08118	2.5
97.02895	3.1
97.06529	2.7
98.06065	5.3
98.09686	12.7
99.08086	3.0
105.07034	7.6
107.04956	4.6
109.06553	2.5
109.10132	2.0
110.06001	2.2
111.04464	2.7
113.06036	2.6
115.05457	3.0
117.07032	8.2
118.08656	5.4
119.04981	2.5
119.08605	4.9
120.08179	1.8
121.06488	12.4
123.04487	2.8
123.08068	4.3
124.07578	4.2
124.11238	5.5
126.09170	17.1
128.06256	3.5
128.10742	12.3
128.11537	2.0
129.07008	5.8
130.05026	6.7
131.08594	4.8
133.06534	4.6
133.36218	1.9
135.04431	4.5
135.08098	3.8
136.06206	11.6
136.11256	4.4
137.05960	4.9
141.07004	3.7
143.08597	7.8
144.10236	11.2
145.06517	5.8
145.10127	5.8
147.08105	5.1
149.06018	4.4
152.07050	5.7
152.10730	3.8
154.12291	2.4
155.08586	4.8
157.10075	4.9
159.08122	4.2
161.09639	2.7
163.07562	3.3
167.07039	3.3
169.10136	8.4
171.08015	4.3
172.09717	24.1
173.09612	7.5
173.10716	3.3
175.07516	2.3
180.06631	2.7
182.11743	4.9
185.09633	2.2
187.11276	4.0
189.09151	5.2
191.07115	3.5
194.08159	6.7
197.07997	2.1
197.09634	8.0
198.11252	2.1
201.09178	4.4
215.10725	11.8
217.08640	4.0
225.09279	2.0
230.11993	2.3
233.11717	3.3
243.10251	9.9
249.14827	2.4
260.12747	1.9
261.11240	100.0
262.11465	2.7
279.12213	16.1
295.14325	3.4
315.13339	4.2
332.18573	5.5
350.19638	22.2
357.76517	2.2
360.18521	2.4
361.16711	4.8
366.19073	4.6
368.20703	7.2
378.19104	23.4
396.20197	52.5
478.24094	4.2
496.26184	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	496.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
53.05788	0.2
55.01863	0.4
57.03436	0.6
61.02917	0.3
68.99790	0.4
69.03438	3.1
69.83366	0.6
69.83768	0.6
71.04995	0.3
73.02929	0.5
81.03418	2.7
85.02909	3.0
87.00822	0.8
90.18986	0.2
93.80647	0.2
97.02909	1.8
99.04453	0.9
106.59582	0.2
109.02887	2.0
127.03936	2.8
133.05113	0.7
136.06183	0.9
145.04958	0.6
147.06673	0.9
157.05130	0.7
159.02908	0.6
160.06178	3.1
168.37425	0.2
173.06964	0.7
174.07770	4.7
175.06117	1.1
177.00705	0.2
178.33130	0.2
187.06102	0.4
187.25722	0.2
196.05809	0.2
202.07262	3.5
203.05659	0.5
204.05226	0.6
205.71237	0.2
213.04074	0.9
218.06705	1.1
230.06752	100.0
231.07159	1.2
248.07813	18.0
257.11542	0.2
260.07813	0.5
272.07846	0.4
343.62170	0.2
409.44540	0.2
410.13031	1.0
452.14285	0.3
456.40555	0.2
478.11786	0.5
496.13095	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	495.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.9
55.05510	8.9
57.03435	1.4
57.07071	7.2
57.07350	1.4
67.05516	12.7
69.06339	1.5
69.07081	10.1
70.99639	2.3
70.99957	2.1
71.08624	5.3
79.05494	13.5
81.07069	10.7
81.17935	1.6
83.08601	6.9
85.10178	1.8
89.06010	2.9
91.05465	6.1
93.07061	8.6
95.04948	2.5
95.08632	8.1
97.06522	1.8
97.10166	4.9
103.05479	34.2
105.07034	18.6
106.04187	2.6
107.04964	23.7
107.08593	5.7
108.05730	1.6
109.10151	6.4
109.60310	1.5
111.11728	2.7
117.06995	2.6
119.08643	2.8
120.05697	4.6
121.06526	1.7
121.10139	6.1
123.04410	5.4
123.11670	2.7
131.04948	5.1
133.06465	2.7
133.08621	1.7
135.08063	86.9
135.11676	5.7
139.03941	2.6
147.04431	2.3
149.13271	2.9
152.04654	2.5
154.06255	2.8
163.06158	1.7
163.07556	65.3
167.07051	78.1
179.07072	3.5
180.07736	7.0
181.08612	3.9
194.09387	2.9
195.10176	100.0
210.19133	1.6
213.11234	31.3
223.00505	2.2
247.24211	4.3
256.64661	1.5
265.25284	3.8
319.49304	1.5
351.23639	1.5
417.34314	2.1
431.97647	1.5
494.44080	1.8
495.40036	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	495.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	10.3
55.01860	12.3
55.05519	43.3
57.03428	24.0
59.04996	6.7
61.02931	32.6
67.05511	89.2
69.03436	35.0
69.07070	29.6
70.41810	13.2
70.42168	11.8
71.01345	8.3
71.04985	24.2
72.76420	5.6
73.02908	20.1
79.05501	82.0
81.03439	27.3
81.07065	88.1
83.04968	21.0
83.08625	18.3
85.02910	39.5
85.06537	8.3
91.03932	11.9
91.05492	86.1
91.30228	5.8
93.07050	77.2
95.04992	27.6
95.08619	58.3
97.02916	28.0
97.06534	16.9
102.78278	5.4
105.04459	5.4
105.07048	83.0
107.04950	21.3
107.08601	59.9
109.02853	6.9
109.06517	17.6
109.10145	33.1
111.04441	10.2
111.08068	7.3
115.03943	7.7
115.05417	7.6
117.07013	41.1
119.08584	57.3
121.06496	24.1
121.10152	31.8
123.04430	8.4
123.08072	24.2
123.11713	10.3
125.09627	18.4
126.41251	5.5
127.03931	12.3
127.11211	28.3
128.06181	12.8
129.07007	36.9
131.08583	55.9
133.06488	12.5
133.10133	38.0
134.80663	5.3
135.08052	27.9
135.11676	19.6
137.05980	24.5
137.09573	10.3
141.06966	12.9
142.07770	14.7
143.08566	33.2
145.05246	5.3
145.06419	11.9
145.10129	39.3
147.08061	16.3
147.11705	31.3
149.09634	11.7
149.13257	9.3
151.07536	23.4
153.06943	6.9
155.08571	20.2
157.06456	11.1
157.10143	33.5
159.08051	29.8
159.11703	35.9
161.06001	12.6
161.09589	18.0
161.13286	15.6
163.07552	16.9
165.06897	5.5
169.10120	21.7
171.08101	8.2
171.11684	26.6
173.09595	22.7
173.13232	20.8
175.07568	28.3
175.11188	14.7
177.09186	10.9
181.10143	15.3
183.08144	5.6
183.11707	24.2
185.09634	13.9
185.13184	10.5
187.07584	8.1
187.11249	11.6
187.14774	9.3
187.99110	5.1
189.09132	11.9
189.12782	9.9
191.06981	6.5
193.10191	11.8
193.12274	6.8
195.11742	6.5
197.13416	11.5
199.07591	7.2
199.11235	12.8
199.14749	7.3
201.09143	5.5
201.12755	8.5
207.11804	10.8
211.11227	10.1
211.13112	9.2
211.14960	8.5
213.09251	6.7
213.12697	10.5
217.12321	6.4
225.08952	6.1
225.12793	9.2
227.10614	8.0
229.12242	16.3
231.13835	27.0
245.11740	8.0
247.13193	29.6
249.14868	7.8
259.20575	9.6
271.20682	10.9
283.20428	6.0
285.21722	6.2
313.21555	7.7
325.21548	8.6
332.88110	6.0
333.24216	16.9
349.21606	9.6
361.23785	7.4
367.22638	16.2
373.23508	7.2
375.25320	14.7
385.23633	13.7
387.25223	8.4
405.26230	11.0
417.26294	8.1
429.26294	15.3
431.25717	6.8
441.26407	43.2
449.26743	8.9
459.27036	30.0
477.27747	43.8
495.29437	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2748
Annotation	Ripostatin A
Peak:m/z	Relative Intensity
55.01861	5.4
55.05527	16.6
59.05000	5.2
62.61330	2.7
65.03939	7.2
67.05505	35.0
69.03427	9.4
69.07063	13.0
69.99032	13.7
71.04996	21.5
79.05495	25.6
81.03410	6.1
81.07066	36.6
83.01335	5.1
83.04977	16.0
83.08606	6.7
85.02888	3.8
85.06577	6.9
87.04489	4.7
91.05476	27.6
93.07037	18.6
95.04970	5.6
95.08619	21.6
97.06538	10.8
98.21362	4.3
103.05453	3.8
105.07043	21.3
107.04993	5.8
107.08618	26.6
109.06525	10.6
109.10169	18.0
111.08060	3.3
115.05465	4.7
116.06249	3.6
117.07005	5.4
119.08594	15.9
121.06545	18.8
121.10159	9.6
123.04430	5.9
123.08044	9.2
125.06007	3.2
125.09629	36.9
127.11209	39.7
128.06247	3.5
129.06990	6.6
131.08577	12.7
133.06514	5.9
133.10155	7.7
135.08075	17.5
135.11681	7.0
137.05997	21.7
137.09674	3.2
141.06898	3.0
142.07864	5.0
143.08557	9.5
143.10699	4.2
145.06500	6.2
145.10135	8.4
147.08049	11.3
147.11685	7.4
149.06003	8.5
149.09601	8.8
149.13283	3.8
151.07558	28.6
155.08592	3.4
156.09416	3.8
157.10143	6.2
159.08092	14.4
159.11684	8.8
161.05995	33.3
161.09647	14.1
163.07581	24.2
163.11203	7.1
169.10159	5.5
171.11699	6.4
172.08945	3.7
173.09651	12.8
174.06743	5.8
175.07547	100.0
175.11185	5.6
177.05560	3.4
177.09096	20.1
181.02675	6.7
183.11684	3.5
185.09558	5.8
186.10303	3.5
187.07541	8.7
187.11229	8.2
189.09126	16.5
189.12697	4.4
191.07031	7.9
191.10675	22.2
199.11256	8.8
201.09071	3.9
201.12820	7.5
203.10680	3.2
205.12192	6.5
213.12698	4.9
214.09880	4.8
215.10684	8.3
216.11595	2.9
227.10622	6.8
229.12280	46.7
230.12927	4.6
231.13814	26.1
237.12863	3.9
239.10678	3.8
243.10196	5.8
245.11684	7.2
247.13292	43.8
261.11328	3.5
292.10861	3.4
307.13324	3.7
353.17529	5.1
369.17889	2.9
379.18982	4.3
405.20996	3.0
419.22095	5.2
431.25928	7.3
437.23212	6.8
439.13141	3.5
442.77957	3.6
449.26843	6.1
459.25363	8.4
477.26471	41.3
495.27362	37.2
506.49655	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	495.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	18.3
53.08033	5.0
55.01871	13.8
55.05507	26.4
57.03452	29.8
57.62132	5.9
59.05000	6.2
61.02941	32.7
67.05509	64.2
69.03436	45.1
69.07062	22.8
71.01347	5.4
71.04990	17.8
71.51366	10.3
73.02908	25.6
73.20821	4.7
76.65373	6.1
79.05130	6.2
79.05499	65.2
81.03406	26.1
81.07059	87.9
82.80782	5.7
83.04978	14.2
83.08607	18.4
85.02908	40.8
85.06551	8.4
91.03951	19.2
91.05494	90.0
93.07046	78.6
95.04957	28.9
95.08614	54.4
97.02917	40.9
97.06501	17.0
97.10158	7.7
99.04456	14.8
101.02333	8.2
105.07036	68.8
107.04929	16.9
107.08611	61.1
109.06544	8.7
109.10158	25.8
111.04453	11.2
111.08113	5.8
115.05427	8.5
117.07030	34.1
119.04992	6.6
119.08585	55.4
121.06513	21.6
121.10159	46.5
123.08081	13.5
123.11729	7.8
125.09654	8.1
127.03925	16.3
127.11175	17.5
128.06216	14.2
129.07001	40.4
131.08565	71.8
133.06491	15.1
133.10133	45.1
135.08031	21.5
135.11650	30.0
137.05962	24.6
141.06982	10.5
142.07820	12.8
143.08597	32.2
145.06461	14.5
145.10109	57.0
147.08063	16.5
147.11693	32.2
149.09599	10.9
149.13269	13.6
151.07529	21.0
155.08557	26.3
157.06471	11.0
157.10138	24.9
159.08067	22.7
159.11722	40.0
161.05934	20.1
161.09653	19.1
161.13272	15.5
163.07513	23.1
167.08589	8.8
169.10115	22.7
171.08020	13.0
171.11676	24.5
173.09633	19.1
173.13278	18.0
175.07570	32.6
175.11200	10.9
177.09093	8.5
181.10051	13.7
183.11664	13.9
185.09636	14.0
185.13246	22.8
187.11142	12.9
187.14867	6.7
189.09065	14.7
193.10202	8.5
195.11746	11.7
197.13324	15.8
199.11224	9.1
199.14876	8.3
201.09074	8.2
203.61053	5.8
209.09727	8.0
213.12741	9.3
215.10561	7.0
217.12190	7.1
227.10800	11.3
229.12195	16.7
231.13861	15.5
239.14433	7.3
241.19489	9.1
245.11522	7.4
246.95038	7.9
247.13275	13.0
259.20563	16.4
271.20544	15.3
277.21732	7.1
283.20731	7.8
297.21939	7.4
301.21399	9.4
313.21561	8.4
315.23227	9.8
321.22318	6.6
325.21701	11.7
333.24197	30.4
339.23199	13.3
349.21439	15.9
357.24417	7.5
361.23740	12.9
363.25140	8.1
367.22589	23.9
375.25159	9.9
378.08353	6.5
385.23822	12.7
403.24792	8.6
409.19901	6.1
417.26282	15.3
429.26416	14.1
441.26468	55.2
449.27036	6.0
459.27344	32.4
467.27322	8.6
477.28079	35.8
495.29544	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3247
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
51.36210	0.4
55.05520	1.8
56.05026	0.9
57.03433	0.7
57.07063	0.7
58.06601	1.5
60.08168	16.8
65.03947	0.4
67.05510	2.3
69.07067	2.8
71.05001	0.6
71.07383	6.4
79.05492	1.1
81.07056	1.7
83.08640	1.4
86.09711	48.8
91.05495	0.8
93.07050	1.6
95.08595	1.2
97.10166	0.4
98.98476	3.9
104.10750	96.2
105.07009	0.7
105.11115	0.4
107.08620	0.9
109.10159	1.1
121.10202	0.7
123.08109	0.9
125.00012	26.4
135.04427	0.6
135.08012	0.4
135.11664	0.6
151.07574	0.4
161.09576	0.4
162.21941	0.4
162.26447	0.4
163.01581	0.7
175.07553	0.8
184.07352	100.0
185.07625	0.7
193.04941	0.5
198.49390	0.4
258.11102	0.9
311.25787	1.3
463.68423	0.4
476.25177	0.5
476.31345	8.8
494.26367	0.8
494.32458	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	494.3251
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05509	2.4
56.05030	1.3
57.03420	0.4
57.07080	1.1
58.06584	1.7
59.07397	0.4
60.08167	17.0
65.16505	0.3
67.05502	0.9
69.07081	2.3
69.32732	2.6
70.06585	0.4
71.04975	0.4
71.07375	6.6
76.65112	0.3
79.05498	0.4
81.07077	0.4
83.08630	1.7
86.09710	53.6
87.10035	0.5
93.07069	0.3
95.08605	0.4
97.06589	0.5
97.10176	1.3
98.21537	0.7
98.98483	4.3
101.66042	0.3
104.10749	100.0
105.11075	0.6
107.08623	0.4
116.03693	0.3
125.00011	30.1
127.11213	1.2
163.01599	0.8
163.07603	0.3
167.18951	0.3
167.88693	0.3
173.59142	0.3
182.62883	0.3
184.07349	87.9
185.07727	0.5
203.10689	0.8
216.11465	0.6
258.11069	0.6
260.13959	0.5
311.25864	1.8
328.20197	0.4
413.45773	0.3
476.31406	10.2
476.37924	0.7
494.32465	22.8
495.32776	0.6
510.73972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1136
Annotation	Myricetin 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
53.03925	0.9
55.01848	0.6
57.03396	1.3
61.02887	1.5
69.03433	3.4
70.06573	0.5
70.40859	1.4
71.04958	1.0
73.02888	0.6
80.75578	0.3
81.03414	2.0
85.02908	11.1
91.03934	0.8
93.07043	0.5
97.02903	3.5
97.06520	0.4
99.04425	0.8
100.16779	0.3
109.02846	1.1
110.03649	0.4
110.62874	0.3
120.08054	0.6
121.02806	0.5
123.04379	1.5
127.03918	1.9
137.02319	2.3
145.04951	2.2
152.00990	0.7
168.00447	0.4
169.01286	1.3
214.93056	0.4
216.04175	1.1
217.04927	0.3
236.61713	0.3
244.03738	3.4
245.04396	1.5
259.74408	0.4
261.03922	1.3
272.03134	1.2
273.03952	2.2
276.67172	0.3
288.60999	0.4
289.03421	1.1
290.04315	3.1
301.03406	1.3
317.02988	7.8
318.03720	53.5
319.03955	0.9
321.38568	0.4
333.06061	100.0
334.06390	2.5
384.12619	0.4
388.27472	0.4
440.30234	0.6
441.30115	0.6
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
55.01865	2.0
55.05518	2.3
57.03428	0.9
66.02814	0.7
67.05486	2.5
69.03435	2.1
69.07075	3.3
70.06591	2.7
71.04987	3.1
71.51309	0.9
79.05495	1.7
81.03411	2.7
81.07059	3.3
83.04992	1.8
85.02899	4.1
85.06544	8.7
86.09697	0.8
87.00822	0.9
87.04459	0.9
91.05486	1.2
91.71987	0.7
91.72684	0.8
93.07054	7.5
95.04971	1.1
95.08626	4.6
97.02909	1.3
97.06532	1.1
98.06061	3.0
99.04463	2.5
99.08096	5.3
100.07631	3.7
105.01918	1.0
105.07035	2.7
107.08595	11.3
109.02853	1.4
109.06506	0.9
109.10159	16.2
111.08040	1.6
113.05994	1.4
116.07101	4.3
119.08566	4.7
120.08083	2.3
121.10158	1.8
123.11720	3.0
127.03895	1.5
127.11251	1.6
128.07091	4.4
130.05043	1.0
133.10121	3.6
133.56490	0.8
135.11703	23.8
137.09607	1.3
147.07640	1.1
147.09192	2.7
147.11679	1.5
148.07520	0.8
149.13251	7.0
151.14842	1.5
152.07016	1.7
153.12756	16.6
159.09265	1.2
167.14279	1.6
168.06380	0.7
175.14848	8.7
175.51395	0.7
191.08180	8.4
193.15904	2.0
194.08168	1.6
197.10793	1.1
211.16949	100.0
212.17310	1.7
225.10335	2.0
232.71078	0.7
253.09738	0.8
263.14041	1.0
294.14615	1.0
305.14786	0.8
307.12967	2.7
313.11871	3.8
317.05954	0.9
332.08401	2.1
361.89008	0.7
371.12140	1.0
389.16760	1.7
432.17038	1.1
450.18530	0.9
451.17355	2.2
476.17587	0.9
494.17755	6.2
494.24176	2.0
495.18076	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.2
55.05509	2.0
57.03428	0.7
67.05490	3.4
69.03413	2.0
69.07066	3.9
70.06577	3.1
71.05000	3.8
71.51199	1.0
79.05477	1.6
81.03419	2.0
81.07070	4.1
83.04986	2.3
83.08625	1.0
84.04495	0.8
85.02901	3.0
85.06547	9.6
87.00827	1.6
87.04485	1.3
91.05476	1.7
93.07047	8.0
94.07409	1.0
95.04967	1.0
95.08600	5.3
97.02884	1.9
97.06521	1.1
98.06055	2.5
99.04489	2.3
99.08095	4.5
100.07613	2.4
105.01893	0.8
105.07024	2.3
107.08600	10.2
109.02917	1.3
109.10157	18.6
111.08072	0.9
113.06015	1.5
116.07100	5.2
119.08585	5.5
120.08124	2.3
121.10136	2.2
123.11723	3.9
127.11208	1.4
128.07091	3.8
130.04990	1.6
133.10150	3.6
135.11694	22.7
135.12729	1.3
136.12077	0.9
137.05992	1.4
137.09625	1.1
145.07611	1.0
147.07611	0.8
147.09186	1.7
147.11717	1.2
149.13266	6.2
151.14841	1.3
153.12752	13.6
159.09203	1.0
175.14825	9.7
191.08173	7.3
193.15857	2.4
201.36549	0.8
211.16939	100.0
212.17325	2.4
219.76291	0.9
223.49086	0.7
307.12881	2.7
313.11829	3.5
332.08499	1.9
371.12207	0.9
389.17111	1.5
416.76804	0.7
446.65930	0.9
451.17126	3.3
494.17764	6.9
494.24020	2.2
495.18317	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1346
Annotation	Betuletol 3-glucoside
Peak:m/z	Relative Intensity
52.31700	0.2
54.64046	0.2
57.30641	0.2
61.33639	0.2
62.96883	0.2
71.24729	0.4
74.90865	0.2
78.20383	0.2
80.56927	0.2
81.07054	0.2
82.48014	0.2
99.00835	0.3
112.01583	0.4
127.00269	0.6
137.05995	0.2
140.01015	0.4
148.05202	0.5
149.05923	0.9
151.03914	1.6
159.67030	0.2
164.12637	0.2
168.00557	7.8
169.01289	0.9
186.01613	2.3
243.06859	0.2
245.04474	2.6
270.05408	0.2
273.03973	6.6
285.07632	0.4
288.06348	0.8
301.03464	9.7
313.07062	0.2
315.04987	0.8
316.05801	66.8
317.06082	1.1
331.08139	100.0
332.08435	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	493.1345
Annotation	Betuletol 3-glucoside
Peak:m/z	Relative Intensity
68.99776	0.5
70.22363	0.5
70.63414	0.2
78.84432	0.2
85.02891	0.2
99.00804	0.4
124.26347	0.2
127.00253	0.3
133.02896	0.2
142.30327	0.2
148.05156	0.6
149.05984	0.9
151.03922	1.7
168.00552	8.1
169.01407	0.9
175.03871	0.2
186.00305	0.2
186.01642	2.1
187.03951	0.2
190.06209	0.2
195.79620	0.2
245.04466	2.9
270.05243	0.2
273.03979	5.7
285.07477	0.3
288.06366	0.9
301.03464	9.6
313.06818	0.2
315.04953	0.6
316.05795	64.2
317.06192	1.4
331.08136	100.0
332.08475	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	494.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.6
53.03948	2.2
55.01874	1.4
55.05511	0.3
57.03443	0.4
67.05505	0.4
68.99780	0.5
69.03432	2.0
71.04980	0.4
71.50247	0.4
73.02921	1.2
77.03935	0.3
79.05497	3.3
81.03416	3.4
81.07011	0.3
82.67564	0.3
83.01294	0.3
83.04992	0.3
83.78315	0.2
85.02907	6.7
87.00824	2.7
91.05489	1.0
93.07027	0.7
95.04976	1.7
97.02901	3.7
97.06525	0.3
99.04456	0.9
105.01865	3.2
105.04514	0.9
105.07040	0.8
107.04960	100.0
108.05296	1.2
109.02886	2.6
115.03907	0.3
117.01862	0.4
121.06531	1.5
121.10181	0.3
127.03925	5.8
131.04927	1.4
131.08566	0.4
133.04964	1.4
133.06511	1.4
135.04439	0.6
141.07036	0.5
145.04964	2.8
145.06461	1.6
147.04445	0.5
147.08015	0.3
149.05997	3.2
157.06538	0.4
159.02916	1.6
159.08096	1.0
161.05981	2.5
165.05586	0.4
169.06519	0.7
173.04691	0.3
173.05934	1.5
182.05653	0.2
185.06033	0.6
187.07510	2.1
189.03831	0.6
191.07085	0.3
197.06010	0.7
203.07051	0.9
210.07260	0.3
211.06049	0.5
215.07066	2.8
231.04941	1.8
233.08084	1.5
235.10950	0.3
251.09169	0.4
257.52524	0.3
319.08261	0.4
337.09332	0.6
399.84872	0.3
466.68280	0.3
477.15656	1.1
495.16629	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.0
55.01867	4.4
55.05510	5.9
57.03437	4.2
61.02931	3.2
67.90839	2.5
69.03439	19.0
69.07065	5.1
69.72758	15.9
70.06593	5.0
71.04983	5.7
79.05492	3.8
81.03400	13.3
81.07065	10.0
83.04977	3.5
83.08595	4.3
84.11785	2.4
85.02907	37.7
85.06539	4.0
87.00840	21.1
91.05474	8.4
93.07041	12.2
95.04967	14.7
95.08609	7.1
97.02902	16.1
97.06527	11.9
97.15246	2.5
99.04480	14.2
100.07607	7.4
101.45940	2.6
105.01882	17.6
105.07063	14.2
107.08585	15.0
109.02860	10.4
109.06534	28.6
109.10139	8.0
111.08025	2.7
115.07599	6.6
117.01875	3.0
119.08589	10.5
120.08113	11.1
121.10155	16.9
123.08046	5.8
123.11729	4.3
125.09665	4.2
127.03929	23.1
127.07535	3.6
128.07080	8.7
131.08575	13.1
133.10136	61.7
135.08054	8.1
135.32982	3.3
137.06067	2.8
145.04964	10.1
145.10144	4.6
146.06006	4.9
147.11711	23.0
149.09613	2.9
149.13310	5.2
151.07539	5.2
153.09140	13.8
159.02933	4.7
163.14920	4.0
164.07008	2.8
165.12794	4.5
167.14281	3.2
173.13287	31.2
177.09143	4.9
187.09042	2.7
191.14302	53.8
209.15372	86.6
227.16437	100.0
231.05020	5.9
238.57669	3.1
432.51547	3.1
474.20718	3.4
492.21991	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	492.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01873	5.1
55.05496	2.0
57.03430	2.9
59.57625	2.4
61.02927	3.9
67.05489	4.8
69.03439	24.5
69.07098	5.6
70.06593	2.0
71.05274	3.3
73.02898	4.1
76.37914	2.1
79.05485	5.1
81.03423	17.8
81.07053	7.5
83.05009	2.8
84.08139	1.9
85.02912	44.5
87.00844	28.4
91.05483	4.9
93.07056	9.0
95.04971	2.1
95.08630	8.6
97.02896	28.9
97.06544	100.0
99.04445	7.0
102.77583	2.0
105.01890	29.2
105.07035	5.1
107.08612	20.3
109.02892	26.6
109.06531	6.3
109.10144	7.2
119.08547	4.9
121.10167	14.6
123.08043	4.5
127.03937	39.9
131.08597	3.2
133.10149	8.2
135.11693	3.2
137.05997	4.0
137.09714	2.5
138.42303	2.1
139.07585	2.2
145.04977	10.1
145.10068	2.9
147.11699	3.9
149.09619	3.2
149.13292	19.4
151.11176	6.2
153.09076	2.7
154.20166	2.4
159.02864	2.8
163.14824	4.4
169.12280	13.8
171.96677	2.2
173.13310	7.1
191.14330	19.5
209.15353	19.0
213.03952	10.3
227.14172	2.4
227.16443	44.0
227.18555	4.3
231.05081	10.6
249.05893	2.7
322.35074	2.1
327.17099	2.4
439.19550	9.4
457.20236	2.3
492.16815	12.6
492.30267	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18790	1.6
56.96565	2.2
62.42060	1.6
69.03436	2.6
70.36317	6.3
85.02892	3.6
97.02892	2.5
98.97556	1.8
103.05445	8.6
107.04932	2.1
120.08120	100.0
131.04935	4.9
136.78839	1.9
149.05983	3.2
163.03902	5.3
166.08665	49.0
181.05008	3.4
308.46243	1.8
514.64886	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.2
55.01874	8.0
55.05510	18.2
57.03444	6.8
59.31460	3.0
61.02922	8.9
65.62584	2.6
67.05491	8.2
69.03439	38.6
69.07063	7.8
69.93237	7.8
71.05000	6.5
72.08144	3.2
79.05499	7.4
80.18507	2.8
81.03425	21.6
81.07030	6.5
83.04991	29.7
83.08628	7.9
84.28354	2.5
85.02910	91.9
85.06536	4.7
87.00833	43.7
91.05472	8.6
93.07043	12.6
95.04972	6.2
95.08607	11.5
97.02901	37.9
99.04436	12.7
105.01199	4.6
105.01876	75.3
105.07034	9.0
107.08599	65.6
109.02889	26.3
109.06538	7.5
109.10136	10.3
111.08099	13.7
117.07290	2.7
118.89314	3.0
119.08607	3.8
121.06479	3.4
121.10155	11.5
125.09632	6.0
127.02993	4.0
127.03930	63.5
127.07597	6.0
131.08603	4.4
133.10135	40.7
135.08064	8.4
135.11731	6.4
137.09610	10.7
145.04990	31.5
147.02899	3.3
147.11693	6.3
149.09604	3.1
149.13243	11.3
151.11189	16.0
153.09091	24.0
158.10992	3.0
159.02927	11.6
163.14780	3.3
173.13211	13.6
189.03853	3.1
191.14322	100.0
209.15396	45.5
231.04955	21.7
249.06003	4.7
429.39130	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	491.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.5
55.01871	0.8
55.05515	13.0
57.03443	1.6
57.07080	3.0
59.05005	2.7
65.03945	3.1
66.04666	0.3
67.05509	100.0
68.05842	0.3
69.03432	0.5
69.07069	10.7
69.80111	2.0
71.04997	2.6
71.08633	1.5
77.03936	0.5
79.05499	12.6
81.03422	0.6
81.07062	43.4
83.04988	1.1
83.08623	9.6
85.06567	3.0
85.10201	0.5
91.05486	12.1
93.07053	12.6
95.04990	1.6
95.08614	28.6
97.06528	2.5
97.10187	3.7
99.08084	0.9
105.04535	0.6
105.07038	7.3
107.08609	8.6
109.06546	0.8
109.10163	54.2
110.10521	0.3
111.08087	3.1
111.11713	0.8
113.09645	0.4
117.07046	0.6
119.08583	7.8
121.10159	6.2
123.08056	0.4
123.11729	5.0
125.09660	0.7
127.11200	0.4
129.07001	0.8
131.08571	2.1
133.10144	5.0
135.08064	0.5
135.11693	3.9
137.09624	2.9
137.13235	2.6
139.11215	0.8
143.08563	0.5
145.10114	2.1
147.11684	2.9
149.13303	1.7
151.14825	0.9
153.12782	0.7
155.10629	3.4
157.10123	0.7
159.11679	0.9
161.13280	2.4
163.11241	0.3
163.14822	1.7
165.16330	0.5
171.11783	0.5
173.11761	14.1
173.13142	0.7
175.14822	2.0
177.16409	0.5
181.12256	0.6
185.13214	0.5
187.14877	0.8
189.16351	0.5
193.15921	0.4
213.14859	0.6
229.14323	1.9
237.22092	0.6
245.22717	2.1
261.22223	0.4
263.23721	4.5
273.18512	0.8
274.18939	0.5
301.25247	0.6
319.26373	1.0
353.24371	1.0
381.31418	0.5
399.32675	2.0
417.33527	0.7
430.06583	0.3
473.36310	3.4
475.45450	0.3
491.29996	7.9
491.37256	57.2
492.37769	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97078	0.3
55.05497	1.0
57.07086	0.5
60.49508	0.4
67.05502	1.2
69.39996	0.4
70.95145	0.7
79.05488	1.5
81.07066	1.2
83.04996	0.8
83.08635	0.4
86.09712	17.7
91.05479	1.8
93.07047	2.4
95.04989	0.9
95.08622	0.7
95.95942	0.4
97.06537	0.6
103.05471	3.9
104.75307	0.4
105.07024	0.9
107.04980	0.6
107.08601	0.5
109.10161	0.6
119.08578	0.5
120.08112	100.0
121.08452	0.6
125.09605	0.5
128.10730	4.5
129.07037	0.6
132.08110	0.7
132.10211	4.3
137.06026	0.6
143.11829	2.5
156.10201	1.4
163.11211	0.5
177.10275	2.6
189.12392	5.2
205.09744	8.5
221.65134	0.4
227.12648	0.6
291.17065	0.8
303.17041	4.9
321.93835	0.4
336.19147	7.5
360.19110	2.2
394.33124	0.5
459.26990	0.5
473.28247	0.5
491.30286	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.05266	1.8
55.05511	17.3
56.41016	1.1
57.01535	1.2
57.03438	12.8
57.07076	3.8
65.03935	1.9
67.05507	54.1
69.03438	1.8
69.07074	16.5
71.05002	1.5
71.08629	2.2
71.13049	2.3
79.05496	15.8
80.05831	2.1
81.07060	52.4
83.04985	2.8
83.08627	11.2
85.06548	1.6
88.07650	1.1
91.05482	13.1
93.07049	19.2
95.04982	2.7
95.08612	48.9
97.06529	4.4
97.10167	6.0
98.98471	80.3
105.07059	8.9
107.08605	11.2
109.09457	2.3
109.10154	20.0
111.08112	2.0
111.11712	2.3
119.08595	9.1
121.10140	10.0
123.08057	1.5
123.11710	8.4
125.09632	1.8
126.97826	1.1
131.08533	1.6
133.10152	7.4
135.11685	4.9
136.99977	5.4
137.09656	2.5
137.13300	4.5
145.10159	3.4
147.11736	3.0
149.13290	3.6
151.14764	3.1
155.01050	82.5
159.11861	1.3
161.13301	4.1
163.14862	3.0
165.63286	1.3
171.11617	1.2
173.11922	1.3
175.14873	3.5
193.02621	2.4
211.03615	6.0
229.04709	7.1
245.22688	10.2
263.23718	15.1
277.00522	1.3
278.04807	1.3
319.26343	2.6
337.27386	100.0
338.27740	2.8
380.30661	1.4
473.26709	15.6
473.33264	1.6
473.36331	1.9
491.30157	3.5
491.36661	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	491.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.1
55.01860	7.5
55.05507	5.8
62.27710	3.8
62.59331	3.9
62.81761	4.0
67.05523	8.6
69.07082	4.4
70.61040	4.0
71.04988	15.1
78.65752	3.6
79.05487	15.2
81.03428	4.9
81.07066	19.5
90.38860	4.0
91.05499	28.6
93.07047	12.2
95.04986	9.9
95.08585	4.4
97.06522	7.8
98.21525	10.8
99.04466	36.1
103.05456	7.9
105.07027	28.6
107.04963	6.4
107.08616	9.1
109.06557	6.8
115.05460	16.1
117.07040	20.9
119.08533	10.7
121.06497	4.5
128.06223	17.0
129.06985	33.1
130.07787	5.0
131.04942	6.1
131.08574	26.7
133.06505	9.7
135.08101	6.2
141.06996	18.1
142.07826	7.8
142.71861	3.7
143.08574	11.9
145.06473	12.3
145.10141	8.9
147.08093	6.2
148.92635	4.5
152.06219	13.4
153.06990	61.2
154.07729	19.0
155.08554	62.3
157.06480	11.1
157.10170	10.1
159.04424	9.1
159.08060	12.5
161.05994	8.2
165.06973	20.5
166.07820	15.9
167.08615	15.9
168.09422	7.1
169.06500	5.9
169.10103	27.5
171.08060	18.2
173.06010	4.9
173.09607	25.1
175.07596	7.7
178.07819	7.7
179.08533	21.5
180.09407	7.3
181.06519	32.7
181.10136	27.1
182.07249	7.7
183.08000	25.1
183.11687	5.2
185.05957	5.4
185.09622	14.6
187.07475	5.1
187.11220	4.9
191.08559	7.5
193.10139	12.1
195.08080	9.1
195.11745	8.5
197.09631	83.1
198.10396	16.0
199.07552	8.9
199.11159	5.8
201.09071	23.5
202.07809	7.3
203.08650	7.5
204.09338	4.5
205.10263	7.1
207.08142	9.1
207.11771	5.3
209.09660	12.4
211.07681	4.7
211.11215	9.6
212.11963	4.8
213.09106	10.0
217.10168	5.5
221.09581	9.3
222.10237	5.5
223.07545	5.1
223.11133	10.4
225.09113	66.5
227.10712	8.5
229.10222	7.4
231.08069	5.5
231.11835	6.8
233.09720	6.6
234.10353	5.1
235.11189	11.1
237.09203	10.1
239.08574	7.7
239.10747	9.4
242.10922	4.2
243.10039	36.1
247.11311	6.7
251.10649	12.7
253.10184	5.3
255.12019	4.9
259.11108	8.1
261.09195	5.5
261.12634	4.5
263.10751	5.7
267.11569	4.4
271.11209	5.2
273.12616	6.6
275.10855	5.7
275.14011	6.4
280.12579	6.8
283.11157	8.0
285.12854	5.9
285.16602	7.1
293.12662	4.4
296.11938	5.9
297.11758	4.7
299.14169	6.5
301.08945	5.5
301.12192	9.5
311.14130	8.8
313.15649	6.1
313.54614	4.4
323.14221	5.4
327.13724	6.3
329.11673	4.5
341.15463	9.5
351.13849	10.1
357.14981	6.5
359.12619	5.2
363.17639	6.1
367.16907	15.8
369.14853	11.0
381.18600	20.6
385.18103	10.9
387.15939	6.0
391.16986	7.3
395.16354	8.4
397.14716	8.1
399.19638	9.0
401.17639	6.0
403.19327	6.9
409.17990	27.7
413.17575	11.4
415.15305	9.7
427.19119	84.9
431.18582	17.3
433.16498	11.4
437.17444	15.3
445.20258	55.1
455.18552	70.7
473.19620	100.0
474.19724	6.3
491.20715	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.8
55.01874	5.2
55.05507	13.5
59.04998	5.1
61.16179	3.3
61.34713	3.3
68.63239	3.8
69.03426	15.9
69.07058	14.3
70.06586	6.9
70.75751	6.7
70.76119	7.6
71.05003	6.1
72.08170	4.1
73.02917	5.5
78.00301	3.5
79.05486	10.1
81.03419	14.7
81.07055	30.9
83.04987	15.7
85.02908	34.8
85.06577	3.9
86.06075	44.1
87.00827	13.9
91.05473	13.8
93.07030	9.6
95.05002	6.1
95.08620	12.7
96.08115	9.5
97.02889	16.0
97.06537	7.7
98.09687	18.8
99.04441	9.4
101.06025	14.0
105.01883	11.7
105.07034	20.1
107.04926	3.9
107.08595	45.5
109.02878	16.2
109.06515	40.3
109.10180	7.0
111.04464	24.1
111.08166	4.3
116.10741	58.5
119.08598	15.0
121.10130	24.3
123.08076	35.8
123.11688	6.1
125.09595	7.5
127.03913	24.1
129.05505	7.0
131.08591	8.5
135.11699	3.7
137.05974	7.0
137.09624	3.8
137.13248	6.0
138.06389	4.5
142.08653	10.3
145.04979	6.2
147.11713	31.5
149.09628	39.2
151.07544	46.1
159.02840	4.6
162.44244	3.3
163.11226	5.5
164.10764	6.1
165.12755	37.0
167.10683	12.4
171.11684	8.7
179.14342	21.0
180.33084	3.2
182.15381	5.5
183.13803	7.9
189.12740	14.3
190.12253	6.7
207.13809	91.4
208.13542	3.9
210.24554	3.1
212.16460	8.5
215.09242	6.8
225.14848	18.4
226.14325	25.3
230.17526	4.5
231.05066	9.3
244.15419	7.5
305.11801	4.7
307.34213	3.2
307.38098	3.9
309.11835	3.6
329.11624	4.2
340.17310	4.4
358.18713	5.4
376.19650	100.0
490.26419	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	491.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.9
55.01871	4.4
55.05508	12.4
55.39377	2.5
57.03426	3.0
57.07076	4.2
65.03941	2.4
67.05520	11.5
68.05036	12.6
69.03426	5.7
69.07073	15.9
70.06578	2.1
71.04980	8.8
71.35915	2.0
71.51110	2.5
76.03995	2.5
76.11900	2.1
76.94675	2.0
79.05489	10.2
80.05002	8.3
81.03409	6.8
81.07062	27.0
82.06571	3.7
83.04977	5.7
83.08613	5.7
84.04500	8.2
85.02900	4.6
85.06527	5.8
91.05496	13.9
93.07050	13.0
95.04951	7.4
95.08610	20.5
96.04500	21.7
97.06521	6.6
97.10149	9.2
105.07018	8.8
107.04958	4.7
107.08559	12.1
108.04504	14.3
109.06554	4.9
109.10156	10.9
110.06020	7.6
111.08060	4.0
112.02128	2.2
114.05560	5.0
117.07020	3.2
119.04887	3.1
119.08559	7.2
121.02890	2.8
121.06515	9.2
121.10116	8.7
123.11687	5.1
125.09599	4.2
127.03892	3.8
127.11192	8.3
129.06992	3.8
131.08546	7.1
133.10123	4.5
135.04425	2.2
135.08022	4.1
135.11639	2.8
136.03966	23.8
137.05998	4.4
137.13240	6.9
140.01637	6.7
142.03238	11.7
142.04971	4.7
143.08633	3.5
145.06461	3.5
145.10114	5.6
147.04388	3.4
147.08055	5.0
149.02332	12.1
149.06020	3.5
149.09618	4.0
149.13219	7.1
151.07552	3.1
155.08495	3.5
157.06165	3.3
157.10139	3.0
159.08038	6.1
159.11765	2.9
161.05966	7.3
161.09662	2.3
162.06776	3.4
163.07594	2.7
163.14847	3.0
166.13446	2.1
167.01590	3.1
169.10207	2.4
170.02742	4.0
173.09598	4.6
174.06726	2.9
175.07495	10.1
176.08263	4.3
177.05469	3.0
177.09157	5.3
180.02417	2.5
180.13518	2.7
181.03172	4.4
185.09639	3.1
185.13184	2.5
187.07594	7.9
187.11188	3.4
189.03648	2.1
189.09077	4.0
191.05270	4.0
191.10692	2.8
193.03178	6.2
193.04935	6.5
194.03911	2.6
197.05554	3.7
197.09705	3.1
201.09126	4.3
203.10512	2.8
207.04741	9.1
209.05591	44.5
211.07172	7.7
213.09106	3.5
214.09827	2.9
215.10641	6.2
217.06845	2.6
219.04773	6.3
219.13771	3.7
220.05444	4.1
221.06190	2.8
227.12805	2.8
229.12207	10.9
237.07487	5.8
243.04352	17.3
261.09479	7.9
262.05292	3.4
277.12515	2.4
285.14795	3.2
287.11035	5.8
288.06885	3.3
293.12036	24.9
293.28409	3.1
313.37537	2.2
355.19022	3.1
360.16254	6.3
370.14804	7.3
373.19934	3.6
388.15817	100.0
389.16156	4.9
390.13406	2.3
473.16278	2.9
473.24731	2.7
491.17563	9.5
491.25867	6.8
506.34375	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	490.211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	6.9
67.05482	7.4
69.03416	6.5
71.50024	12.5
74.05692	7.3
76.66150	6.8
77.33874	6.0
79.05473	15.4
81.03458	8.2
81.07027	8.4
83.04974	12.4
91.05470	15.5
93.07035	9.9
95.04963	6.1
95.08564	6.9
97.02799	6.4
97.06522	7.2
98.43627	6.7
105.07036	18.4
106.36559	6.2
107.04908	7.0
117.06996	9.2
127.03930	9.0
129.06979	8.6
131.08557	14.2
133.10236	8.1
135.36385	7.5
139.03897	7.7
141.07039	7.2
141.70140	7.4
143.08586	34.8
145.10178	16.0
154.07782	11.6
155.08559	28.8
157.10141	18.4
158.07204	7.0
159.08061	10.3
161.09665	8.0
166.07825	15.7
169.10199	17.6
171.08116	8.9
173.09662	16.5
181.10143	47.2
191.46727	7.1
199.11169	24.0
205.50247	6.6
206.09343	7.3
215.10764	7.2
227.10648	25.9
245.11995	10.6
255.51556	7.4
286.04266	6.7
291.10486	12.4
307.10046	9.1
309.11600	14.5
313.73560	5.8
319.10001	11.3
337.10913	31.6
355.08133	9.6
355.12164	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.4
55.01869	1.8
55.05517	16.7
57.03439	3.3
57.07076	2.0
59.04994	2.7
65.03947	4.3
67.05509	100.0
67.83803	0.6
69.03429	1.1
69.07074	12.5
69.36294	5.7
71.04996	2.4
71.08648	0.7
77.03940	1.1
79.05500	31.5
81.03419	1.0
81.07064	40.8
83.04990	1.5
83.08633	9.3
85.06552	2.9
91.05488	22.6
93.07050	34.1
95.04979	3.1
95.08614	28.3
95.09241	0.9
97.06545	2.9
97.10178	2.6
99.08144	0.7
105.07037	19.6
107.08598	17.3
107.16058	0.6
109.06507	1.0
109.10167	57.9
110.10535	0.8
111.08079	3.1
117.07026	8.1
119.08592	22.6
119.13741	0.7
121.06507	2.0
121.10155	15.5
123.11723	2.6
125.09645	1.7
129.07014	2.1
131.08589	13.6
133.10144	13.5
133.11107	1.1
135.08090	0.8
135.11693	11.2
137.09589	3.9
137.13321	1.0
139.11215	1.7
141.07016	1.0
143.08597	3.6
145.10133	11.3
147.11714	8.8
147.36906	0.6
149.06026	4.2
149.13240	5.4
153.05492	2.2
155.08600	1.6
155.10683	5.8
157.10124	3.0
159.11690	7.0
161.13268	7.0
163.11172	1.2
163.14838	1.8
166.17690	0.6
169.10178	2.3
171.11678	3.2
173.11763	16.1
173.13312	6.1
175.14833	2.8
177.16576	0.7
178.59880	0.6
181.08641	2.5
183.11742	2.9
185.13213	3.0
187.11227	0.8
187.14870	3.2
189.16463	1.1
197.13348	1.2
198.06763	0.6
199.14859	2.8
201.16428	1.7
211.14844	1.6
213.14740	1.4
213.16513	1.2
229.14453	1.1
231.17361	0.8
239.18013	1.2
241.19629	0.9
243.21135	2.0
259.20514	1.5
261.22159	5.9
271.20578	0.7
277.98572	0.6
285.22153	1.5
299.23798	1.1
313.25381	1.0
317.24829	2.3
355.26648	0.8
377.26663	1.7
379.30060	4.5
397.30981	7.4
415.32214	3.0
453.34198	0.6
471.34650	6.4
489.35791	82.5
490.36087	2.7
503.18811	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.05515	5.4
57.03424	1.0
57.07067	1.2
57.27148	0.7
58.23556	0.7
59.04987	0.9
64.87712	0.6
65.77419	0.7
67.05509	23.6
69.07063	1.9
71.04958	1.2
71.52453	0.8
72.45745	0.7
79.05495	10.5
81.06658	0.8
81.07064	9.9
83.08633	2.8
84.19691	0.6
91.05481	7.9
93.07044	9.0
95.08614	9.1
97.10195	0.8
100.53207	0.8
105.07034	6.2
107.08601	6.4
109.10165	14.7
115.00591	0.6
117.07024	2.8
119.08580	6.9
121.10134	4.9
123.11629	0.8
126.81267	0.6
129.06999	1.1
131.08589	3.4
133.10098	4.6
135.11684	2.6
137.09572	0.6
138.45103	0.7
139.11153	0.6
143.08556	1.3
145.10124	3.8
147.11662	3.6
149.13257	2.3
155.10616	1.3
157.10147	1.4
159.11696	2.4
161.13223	1.4
167.30127	0.7
171.11719	1.3
173.11736	2.9
173.13205	1.5
187.14844	1.4
197.13217	1.1
201.16483	0.8
241.19620	0.8
261.22018	2.0
317.24640	0.8
327.73465	0.8
378.61719	0.8
379.29941	2.0
394.27783	0.8
397.31039	3.3
415.31992	1.2
471.34622	2.1
489.29608	100.0
489.35931	22.8
490.30106	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	489.3576
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03942	3.4
55.05515	20.9
57.03434	5.7
57.07074	2.3
59.05007	2.0
61.75939	1.3
65.03941	3.6
66.58459	1.5
67.05508	80.5
69.07082	12.7
70.24011	4.8
70.24345	1.6
71.04993	3.0
73.60790	1.5
79.05076	2.6
79.05498	35.8
79.20944	1.5
81.07056	45.3
83.04972	2.2
83.08616	10.4
85.06521	3.0
88.52911	1.7
90.27368	1.4
91.05486	29.1
93.07047	34.6
95.04965	3.9
95.08616	33.1
97.06568	3.4
97.10180	5.3
105.07039	28.6
107.08593	24.4
109.10162	38.4
111.08100	3.5
117.07005	10.7
119.08587	33.9
119.09380	2.7
121.10151	15.6
123.11707	2.3
128.06171	1.7
129.07016	5.2
131.08588	20.4
133.10136	19.8
133.29692	1.5
135.08051	1.9
135.11707	11.9
137.09647	3.1
139.11082	2.0
141.37973	1.5
143.08560	7.9
145.10129	21.0
147.11705	10.0
149.13248	5.3
155.08580	5.3
155.10698	6.7
157.10170	8.6
159.11719	16.8
161.13257	9.0
163.14832	1.9
169.10153	4.0
171.11699	4.9
173.11757	7.8
173.13298	10.2
175.14856	3.6
177.16367	1.8
183.11688	3.4
185.13283	6.6
187.14867	6.5
193.81033	1.6
195.11668	3.0
197.13245	3.0
199.14810	3.6
201.16426	2.9
211.14832	2.6
213.14714	2.4
225.16460	2.7
241.19673	2.0
259.20544	2.3
261.22229	4.7
271.20547	2.7
285.22226	2.3
299.23752	2.0
313.25101	2.1
315.23145	1.7
377.27063	2.2
379.29944	11.7
397.31018	17.0
415.32269	4.4
433.33087	3.6
471.34753	15.5
489.35806	100.0
490.36200	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	489.3576
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
51.69291	1.1
52.44690	1.2
52.85573	1.2
53.03931	3.8
55.01867	1.4
55.05513	17.8
57.03421	4.5
57.07073	2.3
59.05004	3.2
60.25181	1.1
60.74211	1.3
65.03934	4.8
67.05506	100.0
69.07072	13.2
69.64626	2.5
69.65042	5.1
71.04984	3.7
75.60262	1.1
79.05492	33.2
81.07058	48.7
83.04974	2.6
83.08627	7.9
85.06532	3.3
91.04916	1.9
91.05479	23.3
93.07043	35.5
95.04958	2.9
95.08608	29.6
97.06528	2.4
97.10168	2.6
105.04472	1.2
105.07031	23.2
107.08600	20.6
109.10162	50.6
111.08080	3.3
115.05446	1.4
117.07021	8.4
119.08570	23.1
121.10134	17.2
123.08082	1.5
123.11713	2.5
125.09557	1.3
128.06255	1.3
129.07016	3.9
131.08583	16.3
133.10121	15.4
135.08101	1.3
135.11682	9.6
137.09595	2.0
139.11119	2.3
143.08562	3.8
145.10123	13.0
147.11656	10.3
147.38120	1.2
149.13210	5.7
155.08580	2.4
155.10664	4.8
157.10162	4.7
159.11700	10.0
161.13255	6.0
163.14902	1.7
169.10123	3.3
171.11688	6.2
173.11742	11.2
173.13289	8.4
175.14864	3.8
183.11678	2.5
185.13280	6.0
187.14842	4.4
195.78316	1.1
197.13316	2.6
199.14827	2.9
213.14767	2.1
227.18007	1.6
229.14240	1.7
243.21219	1.9
259.20541	2.0
261.22220	5.9
285.22250	1.4
299.23471	1.6
323.23611	1.2
379.29865	10.9
391.28436	2.4
397.31009	11.1
415.32056	2.9
462.59793	1.4
471.34839	8.8
489.35760	98.9
490.36044	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	489.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.8
55.01881	1.8
55.05517	13.6
57.03436	15.7
57.07071	2.4
67.05507	53.3
69.07082	13.3
70.40229	3.2
70.40630	3.7
79.05500	35.1
81.06591	3.3
81.07061	59.8
83.08616	6.5
91.05487	24.7
93.07047	46.1
95.04978	3.8
95.08609	42.0
97.06519	3.1
97.10168	3.4
98.98473	75.1
105.07034	18.0
106.09464	1.5
107.08593	31.5
109.10160	20.1
111.08072	2.8
117.06987	7.8
119.08582	20.2
121.10143	25.9
122.77226	1.6
123.08096	1.9
123.11767	9.5
131.08578	15.2
133.10152	12.9
135.11707	19.0
136.99998	4.7
137.09621	1.8
137.13190	3.7
145.10126	11.7
147.11655	10.1
149.13293	16.2
151.14749	1.8
155.01044	72.3
159.11688	10.5
161.13260	9.3
163.11189	1.7
163.14815	8.6
173.02187	1.7
173.13284	10.5
175.14771	4.0
177.16432	2.3
187.14825	5.4
201.16335	1.9
205.52467	1.6
211.03676	2.9
219.17441	1.9
229.04750	6.5
236.71053	1.5
243.21068	22.6
261.22137	35.6
291.45435	1.9
317.24722	15.4
335.25809	100.0
336.26071	4.0
392.89893	1.5
415.22302	4.6
471.24954	15.5
485.40115	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.1
57.03432	2.6
57.07079	5.4
67.05515	23.6
67.05865	3.9
69.03414	8.0
69.07080	17.7
71.24778	5.0
79.05497	27.5
81.03413	5.2
81.07059	100.0
83.08643	5.3
85.02909	16.4
87.00813	7.8
91.05453	12.9
93.07047	49.1
95.08611	45.7
97.02896	12.0
105.01871	16.7
105.07024	9.6
107.08609	22.8
108.04473	3.1
109.02876	3.9
109.10155	33.8
121.10149	85.4
123.11705	10.2
127.03934	16.7
135.11682	18.8
137.13234	5.2
145.04951	10.1
149.13266	30.0
159.02950	3.1
171.08153	3.4
193.69028	2.7
205.08443	3.2
205.19501	15.4
231.05006	6.7
238.06680	2.5
255.66945	3.1
488.22003	2.9
488.28177	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96339	4.3
55.05507	5.4
69.03419	13.4
69.32545	37.6
78.57772	4.5
81.07056	4.3
85.02905	12.3
86.09684	7.2
89.88624	4.0
91.05473	8.9
93.07030	20.4
95.08598	12.5
97.02876	5.3
97.06492	7.4
98.21494	9.0
105.07009	6.2
107.08590	34.6
109.06525	4.2
109.10144	10.7
116.04136	5.0
119.08570	15.6
121.06481	18.0
121.10157	12.9
123.08052	16.2
125.09657	4.4
133.02818	5.8
133.10086	4.9
133.92776	4.3
135.08058	34.4
135.11700	42.6
137.05977	30.0
137.09633	72.5
139.01585	5.2
149.13249	38.9
156.56982	4.4
159.11659	19.0
177.12758	100.0
195.13818	78.4
205.12247	10.3
223.13287	74.6
241.14397	53.8
247.07518	6.3
277.08829	7.0
296.14587	5.1
309.11230	5.1
337.34296	5.0
433.44324	5.2
489.18988	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	489.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
54.76362	1.1
55.01872	1.6
55.05495	3.9
57.03426	2.2
67.05492	4.1
69.03423	2.1
69.07065	3.2
71.04978	1.7
71.49847	1.1
71.50236	1.6
73.02926	1.7
74.90871	1.0
79.05501	6.0
81.07063	10.6
83.04988	2.2
83.08620	4.5
85.02897	3.8
85.06548	100.0
91.05479	7.4
93.06489	1.7
93.07050	24.5
93.25574	1.0
95.01347	2.9
95.04942	2.3
95.08615	7.3
97.06525	3.5
99.04429	1.8
99.08122	1.6
105.07047	13.1
107.08596	9.4
109.06507	3.4
109.10158	2.0
111.08073	2.0
113.02332	2.0
118.28498	1.1
119.08578	8.3
121.06512	32.6
121.10172	1.9
123.08083	2.9
125.09553	2.7
127.03922	1.4
128.06203	1.5
129.05504	2.1
129.06978	1.3
131.08583	2.9
133.02844	1.1
133.10143	3.5
135.08035	1.9
137.05963	2.4
139.07538	3.5
141.01810	3.6
143.08557	4.4
145.10114	2.1
147.08052	1.9
147.11720	1.7
151.07506	1.7
157.10168	1.4
159.11723	7.1
161.09570	1.4
161.13284	11.9
175.14825	5.1
185.13275	7.4
195.10132	2.6
203.14308	15.5
213.11259	2.5
221.15413	9.3
221.19028	1.2
238.49974	1.2
295.19040	25.8
307.83762	1.1
343.08517	1.2
351.88583	1.1
413.66718	1.4
417.35037	1.1
441.93607	1.4
471.22235	3.3
489.11374	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01874	2.5
55.05509	2.9
57.03429	5.7
67.05488	5.4
69.03417	4.1
69.07064	4.2
70.64066	1.7
70.64397	2.7
71.01357	6.4
71.04997	7.4
73.02918	10.6
75.04488	2.0
79.05499	12.6
81.07052	12.3
83.01328	2.9
83.04984	4.6
85.02440	1.9
85.02913	23.2
85.06553	10.5
86.09702	2.7
91.05482	15.1
93.06488	2.0
93.07051	25.4
93.64348	1.2
95.01334	15.2
95.04993	4.7
95.08608	4.2
97.02888	3.1
97.06534	10.2
99.00790	2.7
99.04453	5.8
101.02352	3.8
101.06013	1.6
103.03932	5.4
105.07031	34.9
105.07697	2.7
107.04955	1.6
107.08610	16.1
109.06530	2.7
109.10141	3.7
111.08073	1.6
113.02369	10.7
115.05430	2.5
116.06185	1.3
117.07032	13.2
119.08576	14.6
121.06519	9.6
121.10142	7.0
123.08054	8.2
127.03945	1.5
128.06219	1.7
129.06998	9.1
130.07736	2.4
131.03375	2.1
131.04898	1.4
131.08571	41.6
133.06436	2.8
133.10104	9.5
135.08061	4.8
137.05991	2.7
139.07558	1.7
140.59122	1.6
141.01836	27.3
141.07028	3.2
142.07816	4.0
143.08580	8.0
144.09315	4.0
145.06487	4.9
145.10141	17.8
147.08035	1.6
147.11716	10.1
151.07596	2.3
151.82025	1.3
155.08554	8.4
156.09326	1.7
157.09019	1.6
157.10107	9.4
159.02904	4.1
159.08078	6.0
159.11690	28.5
161.09647	1.5
163.07593	1.8
168.09354	1.6
171.11710	2.7
173.08189	2.9
173.09634	6.5
173.13272	41.9
175.11237	4.2
177.09009	1.4
177.12801	10.1
181.10138	1.5
183.11687	9.5
189.12741	4.7
191.14314	30.0
199.11273	2.1
201.12752	37.7
219.13792	48.8
237.14890	3.9
243.13988	1.8
275.16272	1.3
281.17642	2.6
293.17468	100.0
294.18018	2.3
311.18533	24.8
335.18497	2.3
341.14087	1.4
449.09113	1.3
451.19983	1.6
469.20917	15.6
470.20645	2.0
472.35413	1.3
487.22299	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	487.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58637	1.0
53.03943	3.5
55.01867	3.7
55.05510	1.9
57.03434	2.0
61.02938	2.2
67.05521	4.9
68.99786	1.5
69.03433	11.7
69.07069	3.6
69.72031	5.5
71.04982	4.2
73.02923	2.2
79.05489	3.0
81.03414	9.4
81.07063	8.4
83.08620	2.1
85.02441	1.8
85.02915	26.6
85.06561	6.7
87.00830	11.3
91.05483	3.0
93.07032	4.8
94.20031	1.2
95.04960	3.2
95.08615	13.9
97.02908	7.1
97.06533	3.3
97.10190	1.1
99.04455	5.9
99.08089	1.3
105.01872	7.0
105.07039	6.2
107.08599	10.8
109.02882	7.2
109.10164	10.4
111.08058	1.6
117.01864	1.3
119.08599	8.2
121.10152	12.5
123.11735	3.9
127.03920	15.2
131.08585	1.0
133.10152	6.1
135.11737	4.4
137.13252	7.3
145.04935	6.5
147.11708	10.3
159.02939	4.6
159.11693	1.4
161.13264	5.6
163.14871	3.9
165.12798	3.1
175.14827	5.0
177.16379	5.2
183.13943	1.0
203.17964	13.9
221.19022	40.7
231.05106	2.7
239.16225	1.3
239.20096	8.8
313.16492	1.3
355.17355	4.0
362.17825	1.0
371.90421	1.0
399.16345	3.3
401.21487	3.5
443.22589	21.6
487.21561	100.0
488.21982	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	488.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.6
55.01870	8.0
55.05508	5.3
57.03427	7.7
61.02928	10.9
63.76097	2.5
65.27705	3.0
67.05502	4.3
68.99809	3.9
69.03433	48.8
69.04433	2.8
69.07072	3.4
69.55865	3.0
71.04994	10.6
71.50665	4.1
72.75412	2.6
73.02910	6.1
79.34666	3.0
81.03428	33.1
81.07048	9.0
83.04961	4.8
85.02913	100.0
85.06540	4.2
86.06108	2.7
87.00838	48.0
87.04491	4.0
91.03951	4.0
91.05492	5.8
93.07037	7.6
93.58633	2.9
95.08632	4.0
97.02906	81.1
97.06527	7.8
99.04470	17.3
100.06331	3.2
101.79872	2.9
105.01874	72.2
105.07036	7.1
106.07374	3.3
106.65651	2.8
107.08600	3.6
109.02892	30.4
116.10709	3.5
117.01824	5.1
121.02901	16.7
121.10159	3.5
127.03928	92.8
129.01863	5.9
139.03952	6.7
145.04974	59.2
149.02347	14.3
158.88507	3.2
159.02898	23.1
213.04091	4.3
231.05009	22.2
249.06076	7.5
250.37415	3.3
259.35284	3.4
326.23260	9.0
467.70700	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	487.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82361	0.6
63.84855	0.5
67.05505	1.1
67.29352	0.6
69.03428	1.7
69.07062	1.5
69.22729	5.0
71.05001	0.7
74.59734	0.5
79.05505	1.2
81.03438	0.9
81.07062	1.7
85.02898	0.7
85.06564	0.9
91.05497	1.2
93.07033	1.2
95.04963	0.9
95.08627	1.5
97.02873	0.8
97.06535	1.9
105.07052	1.4
107.08610	1.2
109.06520	0.6
109.10178	1.1
114.09241	0.9
119.08578	0.8
119.54988	0.5
121.10144	0.8
125.24046	0.6
127.03909	0.9
127.11243	0.6
130.05000	1.7
132.66870	0.6
133.10144	1.2
147.11685	0.9
160.09682	0.8
189.06175	0.9
227.05466	0.7
239.16258	1.7
259.17328	0.8
271.04321	0.8
313.16351	2.1
355.17352	4.1
399.16281	4.1
401.21347	4.8
443.22568	20.9
444.22742	0.6
487.21594	100.0
488.21906	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	486.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.0
55.05505	15.5
62.13491	5.0
62.58365	5.5
62.96946	5.7
64.87566	5.8
67.05496	24.7
69.07085	37.3
70.24851	21.6
73.92120	5.3
77.36510	5.0
79.05490	24.0
81.07065	100.0
83.08627	7.7
83.22709	5.8
91.05496	28.7
93.07045	48.8
95.08620	61.8
98.20757	7.1
105.07045	81.8
107.08589	35.0
109.10171	54.8
117.07066	6.4
119.08587	87.5
121.10159	20.3
123.11697	29.9
133.10139	57.2
135.11690	12.0
145.10083	6.9
147.11702	93.3
151.07558	26.2
161.13277	20.3
203.17934	74.2
243.10121	5.4
258.16953	27.1
340.68100	6.8
417.47134	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	486.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24954	0.9
53.03944	3.0
55.01891	1.2
55.05506	5.0
57.07064	0.8
60.34648	0.9
61.02912	1.4
61.36512	0.9
64.95319	0.9
65.03943	1.5
67.05512	15.2
69.03432	2.7
69.07072	7.9
71.40387	1.8
79.05491	10.9
81.03414	2.6
81.07056	21.0
83.08634	2.3
85.02910	7.2
87.00816	1.5
91.05483	43.5
93.07051	18.2
94.22757	0.9
95.04948	1.3
95.08607	30.6
97.02886	2.7
97.10179	1.4
99.04454	1.4
103.05438	1.1
105.01847	1.9
105.07035	64.1
107.08602	18.0
109.02879	2.8
109.09465	1.7
109.10158	17.5
117.07025	2.4
119.08585	44.1
121.10149	13.5
123.11670	5.5
127.03912	6.9
131.08553	2.4
133.10129	24.5
135.11726	4.0
137.13272	1.1
145.04964	2.6
145.10133	3.1
147.11691	100.0
148.12027	1.6
159.02910	1.1
159.11705	1.1
161.13266	10.8
162.99413	0.9
175.14818	3.7
178.12315	1.3
203.17970	29.2
209.89873	1.0
231.05022	1.0
237.17175	1.8
244.63261	0.8
374.66202	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.2
57.07056	3.1
67.05505	1.9
69.07066	5.3
69.64865	5.6
71.08640	2.0
81.07043	4.8
83.08611	3.0
85.10184	1.3
87.04462	7.8
91.05454	1.7
93.07025	2.2
95.08608	2.9
97.10183	1.6
105.07015	1.0
107.08576	2.4
109.10175	1.2
112.74856	0.9
119.08553	1.3
121.06516	16.4
123.06813	5.9
123.11742	0.9
136.25658	1.0
138.09146	56.2
139.07556	6.3
139.09282	1.0
140.34589	0.9
150.09140	1.0
151.07581	1.0
154.08618	4.0
155.92694	1.0
159.11736	1.1
162.09201	4.3
164.07069	7.6
165.09126	1.5
171.75697	1.0
174.09184	1.5
177.09177	0.9
180.10210	100.0
192.10184	1.4
203.10692	2.1
287.23874	0.9
402.90332	1.0
423.27939	1.0
426.37097	3.3
427.35712	4.6
444.38409	20.4
486.39276	8.3
486.46991	2.0
500.28610	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	18.9
55.01856	10.2
55.05502	27.3
55.44323	6.4
56.13797	7.2
57.03436	11.3
57.07049	8.7
58.51054	6.4
61.02946	6.9
65.33553	6.5
67.05505	30.7
68.99805	6.5
69.03436	52.6
69.07071	35.0
71.04986	16.9
71.51333	6.3
73.02945	10.8
79.05499	35.2
81.03424	63.5
81.07059	70.2
83.04977	26.8
83.08600	11.1
85.02901	100.0
85.06547	11.4
86.09739	6.2
87.00829	35.5
91.05479	30.3
93.07044	56.0
95.04967	25.5
95.08599	73.0
97.02901	49.2
97.06534	21.3
97.10185	7.1
99.04449	22.0
105.01867	29.5
105.07014	64.4
107.04953	10.6
107.08608	80.2
109.02885	60.1
109.06522	19.7
109.10137	47.2
111.04420	9.5
111.08083	12.8
115.03905	7.8
117.06991	12.8
119.04942	6.6
119.08592	74.1
121.06519	11.5
121.10136	88.0
123.04426	14.1
123.08017	14.7
123.11705	20.1
125.09669	9.4
127.03910	52.9
129.01852	11.6
130.07857	7.0
131.08594	26.0
133.10124	38.2
135.08058	10.9
135.11682	36.2
137.09619	9.1
137.13264	23.4
142.07858	7.6
143.08595	13.2
145.04945	20.3
145.10120	47.5
147.02954	8.1
147.11688	36.3
149.09662	8.3
149.13260	18.0
155.08507	6.7
157.10176	17.8
159.02943	24.1
159.08017	7.9
159.11697	42.1
160.02313	8.4
161.09637	8.2
161.13260	34.0
163.11151	32.9
163.14850	24.0
171.11693	7.5
173.13405	8.6
177.12691	12.8
191.17957	35.2
201.16441	45.3
217.15907	52.2
219.17424	86.2
225.09004	7.8
231.05006	12.2
235.16943	33.2
237.18517	74.5
242.58476	7.2
308.04379	6.8
327.19583	19.9
345.20663	12.1
449.21671	9.6
467.22562	13.2
485.23520	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	485.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.9
57.03430	5.4
57.07080	26.3
67.05512	6.6
69.07061	4.3
69.97942	5.4
71.08646	18.8
76.87257	1.2
81.07080	7.4
82.49798	1.3
83.08623	4.6
85.10201	9.0
85.85799	1.3
95.08622	11.1
97.10184	2.6
98.25686	1.3
98.98470	22.6
109.10159	5.0
123.11705	2.3
155.01039	10.7
173.02110	2.6
218.97653	1.7
225.38144	1.2
239.23677	2.2
313.27390	100.0
393.24030	2.0
449.26749	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	485.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.6
57.03436	4.1
57.07083	24.0
67.05497	6.0
69.07067	4.0
69.16777	14.3
71.08637	17.9
81.07055	7.8
83.08617	6.9
85.10179	8.6
94.60835	1.3
95.08620	8.1
97.10160	3.1
98.98475	19.9
105.07048	3.2
105.41690	1.3
108.56305	1.3
109.10156	4.9
121.19282	1.3
123.11734	1.5
133.10133	2.3
155.01053	14.4
173.02232	1.3
202.08199	1.3
313.27383	100.0
314.27759	2.2
393.24158	2.0
449.26392	6.6
451.36719	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	13.0
55.01863	10.5
55.05507	10.1
57.03439	4.5
57.07053	2.8
59.05006	6.1
67.05503	15.5
68.99770	3.0
69.03431	36.2
69.07056	7.3
70.06622	2.5
71.04993	12.4
71.51009	3.4
72.08139	3.7
73.02906	3.3
79.05502	9.8
81.03416	32.1
81.07063	65.8
83.04974	5.7
84.08125	5.7
85.02909	48.7
86.09714	7.0
87.00835	20.5
88.03998	3.0
89.81150	2.9
91.05489	13.0
93.07050	64.9
95.04942	5.2
95.08614	34.6
97.02908	17.3
97.06527	23.5
99.04454	10.1
103.03960	2.6
105.01875	12.9
105.07042	21.6
107.08585	14.8
109.02886	25.5
109.06528	16.6
109.10193	16.6
111.04444	3.6
111.08110	3.0
113.05988	3.8
115.03917	3.4
117.07011	4.8
119.08610	21.9
121.06524	4.2
121.10138	20.1
123.08090	23.4
123.11719	35.4
125.09665	6.0
127.03933	30.3
129.01840	2.4
129.10243	6.1
131.08548	6.8
133.10162	21.3
135.08066	4.5
135.11671	5.8
136.07571	4.5
137.06007	15.7
137.09645	5.2
139.11217	4.1
143.08589	2.6
144.09323	2.5
145.04976	9.6
145.10117	9.3
147.02846	3.2
147.11705	15.8
149.09654	3.2
151.11156	18.9
157.10204	4.0
159.02902	8.5
159.11687	13.0
161.05956	2.9
161.13370	3.7
163.08696	3.5
163.11182	6.9
164.35425	2.2
171.11665	2.7
173.09723	2.9
173.13319	4.0
175.11264	2.3
175.14865	3.3
177.12718	4.1
191.08208	7.0
191.17966	3.1
199.07594	5.2
201.16360	13.9
203.10811	2.7
203.17929	2.7
207.07651	14.2
207.10066	5.5
219.17470	100.0
220.17699	3.4
231.05000	3.9
237.18564	5.3
247.16585	2.7
259.13168	2.7
323.12646	12.8
341.13577	4.5
485.23486	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	485.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.2
55.01872	14.3
55.05518	29.8
57.03447	6.9
60.79234	6.5
64.42110	6.7
65.76417	5.3
67.05508	30.0
69.03436	43.9
71.04984	15.9
71.29232	8.5
71.29582	5.3
73.02910	9.3
79.05489	21.2
81.03431	32.9
81.07069	100.0
83.04995	19.8
84.05361	5.7
85.02911	58.5
85.06540	9.7
87.00839	24.0
88.03993	24.8
91.05474	31.2
92.83782	5.1
93.07054	50.3
95.04993	7.4
95.08593	30.9
97.02900	19.4
97.06526	13.9
98.57358	4.5
99.04458	15.1
100.11230	4.6
105.01886	18.6
105.07047	80.6
106.07381	4.9
107.05001	5.0
107.08630	40.1
109.02870	32.5
109.06527	11.0
109.10191	25.5
111.08089	9.3
117.01889	5.4
117.07083	9.5
119.08593	59.7
121.06480	5.9
121.10153	31.5
123.08094	16.1
123.11721	36.7
125.09645	12.8
127.03931	43.7
128.33836	5.4
129.07066	9.5
131.08589	23.3
133.10139	41.4
135.08017	9.1
135.11740	7.3
137.09619	13.0
143.08597	8.0
143.10655	10.0
145.04974	10.5
145.10133	28.4
147.11700	85.7
151.11198	14.1
155.08571	7.2
156.09117	6.2
157.10078	8.0
159.02898	19.0
159.11687	25.4
161.09610	7.0
161.13272	7.0
163.11156	6.7
167.10649	7.2
169.10162	9.4
170.10558	5.6
171.08115	5.4
171.11705	7.0
173.09665	8.4
173.13315	10.3
177.12778	5.8
178.09718	4.9
181.10056	5.3
183.11629	6.1
199.11209	7.2
201.16393	22.8
219.13901	4.8
219.17474	69.2
227.10677	7.3
228.10960	7.6
237.14874	15.9
296.10144	6.3
318.10153	5.7
339.14828	6.9
349.14780	8.2
367.14053	7.7
385.15103	8.9
449.20786	6.4
485.19812	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07013	2.3
52.12128	2.5
53.03938	6.2
53.17467	2.5
53.42365	2.4
55.05513	11.1
57.03440	8.2
59.04989	4.9
62.11850	2.5
65.03936	3.1
65.65822	2.3
67.05507	21.8
69.03433	11.6
69.07065	10.0
71.01365	17.0
71.04996	11.0
71.50929	2.6
71.51326	2.5
73.02921	3.1
75.04494	3.7
79.05484	14.8
81.03442	3.3
81.07059	30.9
83.05011	4.7
83.08584	4.5
85.02911	31.9
85.06549	100.0
87.04469	10.2
91.05497	17.6
93.07053	51.4
95.04980	27.9
95.08614	29.0
97.02884	14.2
97.06549	7.5
99.00820	3.3
99.04472	10.5
103.03943	8.3
105.07033	28.1
107.08607	19.3
108.98533	2.5
109.06525	7.0
109.10213	3.1
111.04466	6.4
111.08084	8.6
113.02377	6.5
113.06075	3.8
117.07002	3.9
119.08577	27.4
121.06516	48.0
121.10153	10.3
125.09597	3.4
127.03900	2.7
131.03401	5.6
131.08539	6.9
133.10147	15.5
135.08070	4.8
135.92609	2.4
139.07495	2.9
143.08571	8.6
147.08073	4.0
147.11633	6.3
157.10144	5.3
159.11734	8.4
161.09619	6.4
161.13301	18.6
168.09328	2.8
169.08687	6.2
175.11237	3.9
175.14857	18.0
185.13283	10.7
193.15910	3.5
195.10228	5.2
203.14305	29.3
221.15387	13.5
241.17604	2.6
247.08046	4.6
248.77264	2.7
295.19055	5.8
326.82846	3.1
359.13263	10.4
385.14981	4.9
441.20691	3.8
485.19464	8.4
485.25043	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.6
55.01862	18.6
55.05512	30.2
57.03423	12.8
57.68485	7.6
62.49522	6.6
67.05517	33.5
67.87400	5.6
68.99794	7.1
69.03429	39.3
69.07072	13.1
70.02933	5.5
71.04983	19.6
71.50462	5.5
71.50906	8.1
73.02931	6.0
79.05486	26.5
81.03427	36.7
81.07060	100.0
81.87302	5.8
83.04994	32.2
84.04491	6.8
84.76460	5.6
85.02912	60.5
85.06585	6.3
87.00832	33.5
88.04018	14.7
91.05495	37.1
92.05813	6.0
92.46220	6.6
93.07044	47.1
95.04977	19.2
95.08624	35.6
97.02892	26.8
97.06528	20.4
99.04454	14.6
105.01882	13.8
105.07037	85.7
107.08607	49.8
109.02896	24.2
109.06510	11.5
109.10191	28.3
111.08073	7.4
113.66447	6.6
115.03939	6.3
117.07014	18.0
119.08575	46.0
121.06484	14.1
121.10157	34.4
123.08057	13.3
123.11746	28.6
124.07643	8.2
125.09667	15.2
127.03951	46.2
129.07045	9.3
131.08583	15.1
133.10141	36.4
135.08040	13.6
135.11664	16.4
137.09608	14.3
142.07841	6.3
143.08530	13.5
143.10695	9.6
145.04980	10.2
145.06139	6.9
145.10164	42.3
147.02907	7.9
147.08087	7.6
147.11687	96.1
149.09625	12.2
149.13239	7.4
151.07538	8.5
151.11159	12.4
155.08641	6.6
157.10149	11.8
159.02887	14.0
159.11705	27.7
161.13260	18.5
163.11208	13.2
167.10645	10.4
170.08199	7.4
171.11732	5.8
172.08553	6.3
173.09651	10.2
173.13271	9.8
181.10106	8.3
183.11729	8.0
185.09454	6.6
199.11166	10.7
201.16415	38.7
214.50735	7.4
217.12256	7.4
219.13818	10.2
219.17479	71.5
227.10741	10.4
237.14890	29.1
237.18463	9.2
277.09097	7.2
296.10300	6.3
349.14633	17.1
385.15002	7.1
399.91327	7.4
449.19958	13.9
485.20184	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.7
54.05914	2.6
55.01870	12.1
55.05518	20.6
56.05823	2.7
57.03439	28.3
67.05510	25.0
68.07053	2.6
69.03428	17.8
69.07072	12.4
69.65929	2.7
70.31422	5.8
70.31817	6.8
71.01340	13.0
71.04986	7.2
73.02919	29.6
74.67499	2.6
75.04472	3.5
77.03953	4.4
79.05502	48.1
81.03416	6.2
81.07059	64.8
83.04993	30.8
83.08603	3.7
84.05320	6.7
85.02907	67.2
85.06554	8.1
87.00853	3.4
89.16714	2.9
89.37282	2.7
91.05476	43.9
93.07047	81.8
95.01340	9.0
95.04955	13.8
95.08618	34.1
97.02901	11.5
97.06536	22.5
99.00819	5.4
99.04469	11.9
101.02376	9.3
101.06024	4.0
103.03973	19.0
105.07032	73.9
106.05024	2.9
107.04949	4.9
107.08594	67.2
109.06531	25.3
109.10170	11.6
111.08096	11.5
113.02369	12.3
113.06069	4.8
115.05399	4.3
117.07018	8.2
119.04922	3.7
119.08582	48.5
121.06512	33.1
121.10155	10.8
123.04410	3.2
123.08064	11.6
123.11739	5.8
125.06019	9.3
127.03946	6.6
127.07581	8.7
128.06238	5.6
129.05492	9.1
129.06950	4.4
131.08583	10.5
133.06482	4.3
133.10130	27.5
135.04437	3.2
135.08089	29.3
135.11754	4.6
137.05988	9.0
139.07533	12.8
141.01859	14.5
142.07727	7.0
143.07025	5.9
143.08582	9.2
145.04951	4.1
145.10152	24.0
147.08075	9.0
147.11700	100.0
149.09659	4.5
149.13293	4.3
151.11145	4.8
153.09128	4.7
156.09363	4.6
157.08856	4.3
157.10144	18.7
159.02878	15.4
159.08008	2.9
159.11725	10.0
160.88734	2.7
161.09604	3.5
161.13307	14.7
165.12756	40.8
169.10114	4.1
171.11714	18.4
173.09669	7.0
173.13365	4.7
175.07825	3.0
175.11206	41.7
189.12758	35.9
191.14250	4.3
193.12263	53.2
199.11205	18.5
207.13837	19.5
209.11821	3.4
211.13347	3.7
215.05556	8.2
217.12245	58.7
229.14377	3.2
235.13300	51.2
253.14427	21.5
267.15964	8.9
287.07660	10.9
291.16040	5.5
295.15469	6.0
309.16965	20.3
327.17993	9.8
366.14951	3.7
367.15747	7.6
456.69864	2.7
467.19171	8.6
485.20142	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.3
55.01865	9.6
55.05511	17.4
57.03440	22.5
59.04990	2.1
61.01144	3.0
61.02909	2.3
65.03930	2.5
67.05516	10.5
69.03432	12.2
69.07062	11.4
69.56870	14.9
71.01355	30.2
71.05012	3.3
73.02919	41.5
75.04495	3.4
79.05493	36.6
81.03413	3.5
81.07059	49.9
83.01324	3.1
83.04975	15.7
85.02908	71.2
85.06542	12.2
91.05482	34.7
93.07048	100.0
95.01330	10.8
95.04972	13.7
95.08630	12.6
97.02896	18.4
97.06538	19.1
99.00811	5.9
99.04469	24.1
101.02372	9.2
101.06022	2.6
103.03941	8.3
105.07034	93.1
107.04984	10.0
107.08592	34.0
109.06523	26.9
109.10176	2.0
111.08120	2.1
113.02367	37.9
113.06005	4.0
113.31729	2.0
117.05511	3.6
117.07006	7.9
119.04956	2.7
119.08590	62.3
121.06506	57.1
121.10114	4.4
123.08066	5.5
125.05992	2.1
127.03922	2.2
127.07552	11.9
128.06218	6.1
129.05534	9.8
129.06970	10.9
131.03436	10.8
131.08580	12.8
133.06488	6.6
133.10144	30.8
135.04454	4.3
135.08073	7.6
137.05963	7.7
139.07564	12.0
141.01846	19.2
142.07773	7.7
143.08563	17.1
143.33180	2.1
145.04945	3.1
145.06509	2.4
145.10136	22.0
147.08038	6.9
147.11691	86.9
151.07523	6.2
155.08560	3.9
156.09346	9.4
157.06462	3.1
157.10117	28.1
159.02873	8.4
159.08073	2.4
159.11681	4.4
161.09625	7.0
161.13274	44.9
164.28203	2.2
169.04926	4.2
169.10118	6.2
171.06563	5.2
171.08015	3.1
171.11687	37.6
173.09610	7.6
173.13306	3.1
175.11197	17.9
181.10143	6.3
187.06007	3.7
187.11209	3.5
189.12753	55.7
194.45004	2.3
195.10178	3.3
199.11174	25.5
207.13824	26.1
215.05531	12.2
217.12250	70.9
227.10677	3.9
233.06625	3.7
235.13303	27.4
240.54500	2.1
245.11703	2.4
253.14368	4.7
271.10617	2.1
274.57996	3.0
291.15927	8.4
305.08621	6.2
309.16968	35.4
345.35745	2.7
367.11722	2.7
385.13055	4.7
438.16763	2.2
467.19232	3.1
485.20117	31.4
492.55927	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	485.1793
Annotation	Evodol
Peak:m/z	Relative Intensity
51.78643	1.6
56.05033	1.6
56.96571	3.2
68.99699	1.4
69.03418	2.3
70.06606	11.7
70.08272	4.8
85.02933	3.6
86.09704	3.6
97.02898	1.7
99.04570	1.5
103.05471	8.3
109.02885	2.0
121.06566	1.8
127.03927	3.0
131.04922	12.3
136.07545	1.9
145.04942	1.7
148.05150	2.1
163.07556	6.8
227.80095	1.4
230.11369	1.6
247.80615	1.4
283.08472	4.9
292.07913	1.9
323.74298	1.6
341.12741	10.4
485.17841	100.0
486.17917	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	485.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01873	5.2
55.03757	2.3
55.05517	77.8
58.99578	8.8
61.01154	42.2
67.05508	5.1
69.03427	8.8
70.86845	2.9
70.87157	4.4
71.04974	7.4
73.02899	5.2
77.00615	3.4
79.05489	7.5
81.03410	3.3
81.07075	14.0
83.04494	5.3
83.04990	100.0
85.02886	9.4
86.99052	5.6
89.00634	37.3
91.05492	24.1
93.07063	15.9
95.04964	10.8
97.02908	4.6
97.06534	3.7
99.04454	13.0
105.00109	3.0
105.07048	32.5
107.04977	3.7
107.08596	6.2
109.06520	5.7
115.05457	8.7
117.07027	15.6
119.08605	15.2
121.06538	12.2
121.10177	3.5
123.08105	2.6
127.03911	2.8
128.06219	18.1
129.07016	29.9
130.07750	4.6
131.04921	3.4
131.08606	24.7
132.99577	6.4
133.06500	7.9
133.10173	8.1
135.08026	3.6
137.06007	4.4
141.07011	14.1
142.07779	14.2
143.07530	3.6
143.08583	58.5
145.06487	9.0
145.10132	38.4
146.07324	2.9
147.02585	2.7
147.08066	10.0
147.11688	10.1
149.09641	3.2
153.06990	9.7
154.07759	11.5
155.08582	34.7
156.09325	9.4
157.06477	7.0
157.10152	31.4
158.07294	5.7
159.08052	10.0
159.11662	8.8
161.04247	2.8
161.09641	21.3
165.06973	12.9
166.07759	13.0
167.08578	4.4
168.09332	3.0
169.10153	37.8
171.05174	4.7
171.06569	67.4
171.08031	7.9
171.11732	29.1
173.09651	36.5
175.11194	3.2
177.09215	4.4
179.08536	4.4
181.10124	53.7
183.08038	3.5
183.11774	4.9
184.08849	4.4
185.09660	12.1
187.05821	2.4
187.11227	14.8
189.12793	10.7
191.10674	10.3
197.09573	11.0
199.09497	3.8
199.11201	43.4
201.07303	3.1
201.09024	3.3
201.12746	2.8
203.10750	4.7
209.09645	11.6
213.07425	3.7
215.10672	24.3
217.12219	19.9
227.10709	39.7
233.11826	6.2
235.13324	4.8
245.09723	3.2
245.11800	25.6
257.10068	4.9
263.12845	2.9
277.09067	5.5
284.35159	2.4
295.09964	6.2
303.10498	8.1
313.11002	9.5
321.11520	12.1
337.10992	8.0
339.12625	18.5
349.11160	8.4
367.12103	16.5
385.13177	67.2
386.13577	3.1
449.18948	3.1
458.05688	2.6
485.18500	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	485.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.8
53.03957	3.7
55.01865	2.5
57.03420	3.0
58.30499	0.6
61.02922	1.4
62.28853	0.7
68.99795	1.2
69.03435	10.6
70.06578	1.2
71.04983	1.8
73.02916	1.5
75.04475	0.7
78.09953	0.6
81.03423	11.4
83.25738	0.7
85.02434	1.3
85.02911	16.8
87.00822	7.5
91.03971	1.0
91.05511	1.1
95.04957	1.2
97.02895	6.1
99.04423	3.9
102.04704	1.2
103.05473	52.6
104.10722	0.9
105.01896	4.8
105.07014	0.7
109.02879	9.7
115.03967	1.0
115.05466	1.1
117.07094	0.8
124.47401	0.7
127.03916	12.4
129.01834	1.9
130.04147	1.1
131.04938	100.0
132.05281	1.6
145.04958	2.9
145.06541	0.6
147.02769	0.8
148.05180	7.5
149.05965	0.7
154.15714	0.7
159.02921	4.6
159.08069	1.2
160.05226	0.8
161.05945	3.4
163.07553	46.3
173.05873	0.6
175.07561	1.5
184.07442	0.8
187.07567	1.1
189.03909	0.9
201.09076	1.3
205.08694	0.9
231.05070	2.0
236.98798	0.8
237.11281	2.7
267.55682	0.7
305.08414	0.8
337.07199	1.3
422.84378	0.7
485.19397	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	485.1787
Annotation	Evodol
Peak:m/z	Relative Intensity
70.23852	6.5
94.93025	4.8
131.01926	2.1
156.04248	4.3
187.02615	2.5
196.94608	1.8
203.02119	2.3
247.04857	5.8
376.73773	2.1
432.43671	2.2
485.17859	100.0
486.17978	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29129	1.5
52.74382	1.6
56.96572	2.4
63.06528	1.4
69.03422	5.6
70.06596	30.8
71.35213	3.5
72.08157	7.0
81.03399	4.2
84.08150	2.8
85.02909	7.5
86.09686	3.5
87.00828	3.6
91.05458	1.7
97.02910	3.7
102.09187	1.8
103.05481	19.2
109.02897	2.9
111.04356	1.5
127.03921	5.8
131.04028	2.6
131.04955	32.3
133.06108	2.0
137.05934	1.6
148.05190	3.2
159.02953	2.8
161.06078	2.0
163.07576	14.9
171.86972	1.8
227.02335	1.5
230.11330	18.2
265.07437	2.4
279.05478	2.0
281.06995	1.7
283.08578	2.8
323.12115	2.0
341.12784	10.1
438.72269	1.6
485.17899	100.0
486.18399	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	484.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73782	9.3
51.11592	9.2
55.05504	15.3
57.58397	8.5
67.05507	21.6
69.07080	15.0
71.04984	16.9
71.51218	16.7
79.05478	18.7
81.07044	40.3
85.07650	12.7
91.05487	75.3
93.07036	29.4
94.07353	10.4
95.04977	14.3
95.08612	14.1
105.07047	53.6
105.56339	10.8
107.08598	23.6
109.10146	18.4
119.08592	16.1
121.10167	16.1
123.48312	11.5
127.11196	25.8
133.10139	100.0
135.76407	9.8
143.08539	12.5
145.10167	10.2
147.08118	9.5
149.13310	11.4
155.08656	10.5
157.10098	16.9
159.11674	24.3
173.09607	11.7
182.82498	10.2
191.10085	10.0
215.52914	9.7
228.23116	10.5
283.26245	9.9
409.26889	10.9
449.30359	11.8
484.47354	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15903	2.3
50.75951	2.1
69.26906	22.4
77.73562	2.0
84.42594	2.1
95.63835	2.3
98.97581	21.7
100.47717	2.4
101.77787	2.3
116.98615	6.5
134.99632	3.2
140.82460	2.2
164.17181	2.4
174.39899	2.5
174.97646	6.1
175.97917	2.6
192.98773	3.6
214.95618	4.9
216.95389	8.8
216.98801	6.2
218.98383	3.2
219.02068	3.5
232.96716	10.1
233.96846	4.4
234.96577	11.9
234.99915	5.3
236.99739	3.5
240.98938	6.3
250.97755	3.0
252.97543	5.5
256.96689	18.2
257.96881	5.3
258.96521	28.0
258.99948	23.1
260.00052	4.4
260.99832	9.1
261.03152	14.7
274.97763	25.7
275.97952	9.0
276.97571	46.5
277.00940	13.4
279.00732	4.0
282.97003	3.2
283.00006	49.2
284.00082	8.0
284.99823	12.9
294.98566	4.2
298.97766	33.3
299.97791	12.9
300.97595	65.1
301.01083	42.0
302.01221	7.0
303.00842	14.2
316.95468	3.1
316.98871	43.9
317.98929	15.7
318.98648	84.2
319.98950	4.8
340.99008	2.7
342.98834	4.0
358.99982	7.7
360.99640	9.4
400.97522	4.2
403.00607	3.8
418.98715	14.4
419.98062	3.2
423.65588	3.0
425.01627	24.9
441.98712	3.3
442.98215	100.0
444.03046	4.4
445.02252	5.4
460.99902	96.1
461.99661	7.9
467.02530	2.8
484.01141	4.3
485.00357	15.2
499.10132	2.5
503.23535	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	484.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01854	2.6
55.05516	79.3
57.03429	2.6
58.06593	5.1
60.04531	13.8
67.05495	5.3
69.03433	38.8
69.35466	21.0
70.02932	6.5
70.06565	4.0
71.05027	2.9
71.91288	2.4
74.37345	2.6
79.05491	6.3
81.03399	3.1
81.07052	4.6
81.71333	2.4
83.04984	75.9
84.04514	24.1
85.02895	4.0
86.06073	9.4
88.03996	21.6
91.05473	16.5
93.07021	12.2
94.06588	3.1
95.04961	10.2
95.08604	3.0
96.04497	5.7
97.02854	5.3
98.06063	6.3
98.21613	3.3
103.05434	5.0
105.07027	10.1
106.05000	2.9
107.04939	5.5
107.08632	2.9
109.06545	4.6
110.06020	4.3
111.04431	6.6
112.07594	3.7
113.06012	15.5
114.05534	6.1
115.05473	4.2
116.07086	4.9
117.07027	5.8
119.08585	4.2
121.06490	15.0
122.06046	2.6
123.04514	4.2
123.08023	4.7
124.07653	3.2
128.06216	5.6
129.07005	5.3
130.05031	4.8
131.08562	7.8
132.06578	9.8
133.06493	6.2
135.04384	6.1
135.08101	3.4
137.05916	4.6
138.09125	4.9
140.07056	3.9
141.06955	4.5
142.04996	2.8
143.08566	7.4
145.06444	7.5
145.10150	5.8
147.08044	9.7
149.05971	6.9
151.07541	8.4
153.06956	3.5
155.08556	4.1
159.08096	6.3
160.06096	18.0
161.09576	3.6
163.07585	4.4
167.06973	6.3
167.08464	2.6
169.10115	6.1
170.08115	7.6
171.08069	3.0
173.05963	3.1
173.09633	10.3
175.07504	3.2
177.09073	3.1
179.07045	4.2
186.07582	5.0
187.11180	3.8
188.09209	9.7
189.09186	4.0
191.07080	4.8
191.10628	9.4
197.08047	5.8
197.09631	10.7
201.09122	7.3
205.08560	5.9
215.10670	10.5
219.10104	3.7
223.09688	6.1
225.09187	3.9
233.11731	6.2
236.60818	3.2
243.10162	13.3
249.11206	4.8
254.10265	4.2
261.11243	100.0
279.12299	15.2
295.14108	8.5
338.16187	3.5
348.14398	8.9
354.15491	5.2
356.16797	3.5
366.15396	28.3
384.16425	41.6
393.63754	2.9
466.20776	5.2
484.21686	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66494	0.3
53.03947	0.5
55.01866	1.2
57.07076	2.1
60.04508	0.4
63.37895	0.3
67.05495	1.3
68.99791	0.5
69.03435	3.1
69.07064	0.8
71.04982	0.7
71.08643	3.6
71.50331	0.6
79.05501	0.7
80.04967	0.3
81.03436	3.5
81.07067	0.8
81.70504	0.3
84.04520	0.7
85.02916	10.4
87.00838	4.4
87.16847	0.3
91.05491	4.1
93.07074	0.4
95.04979	0.4
97.02898	3.9
99.04461	2.3
103.05455	0.5
105.01878	6.1
105.07036	11.6
107.08613	0.4
108.04490	0.9
109.02892	3.4
109.10166	1.2
116.06234	0.3
117.07041	6.0
119.08601	12.3
124.07632	0.7
127.03944	7.9
128.06206	0.7
129.07028	1.2
130.05014	1.0
130.07828	4.7
131.08589	10.0
132.28923	0.3
133.10115	0.5
135.08011	0.4
138.09103	0.4
140.07100	0.5
141.74698	0.3
142.08618	0.5
143.08565	2.1
144.09363	1.1
145.04976	4.7
145.10138	100.0
146.10484	1.3
147.11678	0.3
151.11244	0.6
157.10153	1.5
159.02899	2.3
159.11713	13.6
160.37434	0.3
169.12253	2.1
192.13879	0.6
201.16402	22.1
202.16817	0.4
231.04947	2.9
238.14503	0.6
248.07805	0.4
249.06117	0.5
256.15463	6.0
268.35895	0.4
298.16525	0.8
322.80524	0.4
358.77530	0.4
466.27930	3.2
484.29422	1.5
487.08826	0.4
501.57898	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84377	0.7
55.01874	1.6
55.05501	1.3
66.77345	0.8
67.05505	1.3
69.03415	2.0
69.07045	0.9
70.06580	0.9
70.70588	1.7
70.70930	0.9
76.27726	0.8
79.05495	1.5
81.03404	1.8
81.07047	1.9
83.04963	1.1
83.08620	1.3
83.16618	0.8
85.02905	4.8
85.06500	0.9
87.00834	1.7
91.05482	3.8
93.07034	2.6
95.04976	1.6
95.08585	2.0
97.02908	2.4
97.06524	1.7
105.01874	1.7
105.03405	0.8
105.07035	3.9
107.08614	1.9
109.02840	1.1
109.10134	1.2
111.08110	3.9
117.07073	1.1
119.08606	2.3
121.10128	1.3
127.03928	3.2
129.06955	1.3
131.04988	0.8
131.08586	1.6
133.06511	1.1
133.10138	2.0
135.08009	2.0
135.11710	0.8
142.07710	1.1
143.08565	1.4
145.05014	1.2
145.10112	2.0
147.08070	1.7
147.11719	1.7
157.10141	3.1
159.11618	1.8
161.09654	2.8
162.09998	1.0
173.13242	1.0
175.11224	2.2
201.33643	1.0
213.63312	0.8
217.15836	5.9
229.40628	0.9
235.16827	5.3
235.60944	0.9
245.06377	1.2
289.05350	7.2
321.16858	0.8
368.76709	0.9
385.13281	1.0
397.21786	1.1
439.23114	6.7
483.22076	100.0
484.22635	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	483.3112
Annotation	Kuguacin F
Peak:m/z	Relative Intensity
50.77613	3.0
55.05506	12.9
63.60699	2.9
65.03961	4.0
67.05508	40.3
69.03428	6.3
69.07074	38.9
70.78760	6.7
71.04995	7.8
72.60600	2.7
77.14185	2.9
79.05492	20.4
81.07067	28.3
83.04977	3.9
91.05475	24.8
93.07040	19.5
95.04969	3.7
95.08603	18.0
95.70075	3.4
97.10181	3.8
105.07040	38.4
107.04935	6.8
107.08584	26.3
109.06509	6.1
109.10165	100.0
115.05443	6.0
117.07017	7.7
119.08553	16.5
121.06505	24.3
121.10156	12.3
121.78105	3.7
123.08072	8.7
123.11711	5.3
125.09641	4.3
127.11198	20.8
129.07002	6.3
131.04976	3.6
131.08585	27.1
133.06471	13.6
133.10135	14.0
135.08072	33.6
135.11705	6.9
137.05984	33.7
137.09518	4.1
143.08635	7.3
144.05629	3.5
145.10120	28.9
147.08054	10.6
147.11647	6.6
149.05986	16.9
149.09622	11.6
151.07559	80.3
151.11009	3.3
153.05524	3.6
155.08553	8.6
157.10121	12.3
158.07265	8.3
159.08064	47.8
159.11693	8.4
161.05946	8.3
161.09622	26.0
161.13237	5.0
163.07549	9.4
163.11227	3.8
167.07010	22.4
169.10115	5.9
173.09645	37.4
173.13275	6.2
175.07547	20.7
175.11168	13.6
177.09122	40.1
183.11633	3.4
185.09686	5.8
185.13309	4.2
187.11168	5.0
187.14784	8.1
188.08231	3.9
189.09174	5.7
191.10655	7.7
193.08562	3.6
195.11728	6.1
197.13278	5.2
199.11127	5.4
201.09106	6.4
201.12788	4.0
203.10789	4.9
203.14372	4.7
205.15953	5.1
211.11235	3.6
213.12810	5.2
215.10692	5.8
215.14330	17.5
217.15874	7.1
225.12453	3.2
229.12260	3.8
231.13911	15.2
233.15468	29.3
239.10863	3.9
249.14854	7.7
257.15170	3.8
267.13660	3.2
319.75739	3.6
337.21613	4.1
347.88373	3.7
355.22745	3.2
360.56067	3.3
407.25360	2.9
419.29657	3.9
427.25247	3.7
429.27545	3.8
437.30276	5.7
447.28821	12.1
465.30157	20.8
483.25937	6.0
483.30835	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	483.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33054	1.2
59.81730	1.3
60.92744	1.3
61.02915	2.8
69.03428	6.3
69.79452	7.0
70.06590	3.4
72.08148	2.4
81.03391	2.9
83.39668	1.5
84.08143	2.0
85.02902	9.7
86.09701	1.6
90.23280	1.3
94.06548	2.4
97.02908	5.0
98.20847	1.8
98.97600	1.8
111.62084	1.5
112.60238	1.3
120.08113	1.4
127.03947	3.5
129.10309	1.4
146.06017	2.1
163.04015	2.4
181.08862	1.4
194.09702	1.5
195.09290	1.4
196.09908	9.1
197.10780	3.3
206.08411	21.4
209.07056	2.5
211.08578	3.2
211.12263	10.9
220.09964	4.0
221.10722	9.5
223.08707	4.7
224.09515	10.3
225.10158	1.7
227.08151	3.8
227.11789	1.4
234.08762	2.2
237.10318	2.8
238.10928	6.7
239.08160	2.2
239.11806	28.7
241.09735	3.3
257.12839	4.9
267.11304	61.5
272.11569	4.9
285.12363	64.4
286.12466	2.2
303.13394	100.0
321.14401	7.1
339.10962	2.0
361.98871	1.4
397.14392	1.9
439.15915	6.5
483.14471	23.7
489.57257	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84377	0.7
55.01874	1.6
55.05501	1.3
66.77345	0.8
67.05505	1.3
69.03415	2.0
69.07045	0.9
70.06580	0.9
70.70588	1.7
70.70930	0.9
76.27726	0.8
79.05495	1.5
81.03404	1.8
81.07047	1.9
83.04963	1.1
83.08620	1.3
83.16618	0.8
85.02905	4.8
85.06500	0.9
87.00834	1.7
91.05482	3.8
93.07034	2.6
95.04976	1.6
95.08585	2.0
97.02908	2.4
97.06524	1.7
105.01874	1.7
105.03405	0.8
105.07035	3.9
107.08614	1.9
109.02840	1.1
109.10134	1.2
111.08110	3.9
117.07073	1.1
119.08606	2.3
121.10128	1.3
127.03928	3.2
129.06955	1.3
131.04988	0.8
131.08586	1.6
133.06511	1.1
133.10138	2.0
135.08009	2.0
135.11710	0.8
142.07710	1.1
143.08565	1.4
145.05014	1.2
145.10112	2.0
147.08070	1.7
147.11719	1.7
157.10141	3.1
159.11618	1.8
161.09654	2.8
162.09998	1.0
173.13242	1.0
175.11224	2.2
201.33643	1.0
213.63312	0.8
217.15836	5.9
229.40628	0.9
235.16827	5.3
235.60944	0.9
245.06377	1.2
289.05350	7.2
321.16858	0.8
368.76709	0.9
385.13281	1.0
397.21786	1.1
439.23114	6.7
483.22076	100.0
484.22635	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	483.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01873	2.4
55.05506	5.0
55.63638	1.1
57.03433	4.5
61.02920	1.9
67.05496	4.9
69.03425	3.0
69.07072	21.2
69.23872	3.5
69.24289	8.4
71.43430	1.1
72.58478	1.3
74.36749	1.1
79.05141	1.2
79.05503	13.5
81.03426	2.0
81.07055	4.2
83.04984	2.8
85.02911	4.9
85.06536	1.8
89.03912	4.2
91.05487	3.0
93.07042	3.9
95.04984	3.2
95.08619	1.9
97.02901	1.8
97.06535	64.3
105.07030	5.3
107.04926	1.6
107.08602	3.1
107.61758	1.1
109.02892	1.5
109.10180	2.7
111.08073	3.7
112.08828	1.6
117.03385	3.4
119.08524	1.2
121.06481	1.8
127.03912	3.1
129.09123	3.1
131.08557	2.1
133.02861	2.7
135.04437	4.7
145.02837	4.5
145.04933	1.3
145.10127	2.1
151.03940	1.6
159.03130	2.0
159.04398	9.2
159.11711	1.3
161.02347	28.9
163.03912	47.0
169.06468	1.3
173.02354	61.2
173.09636	2.5
173.13216	1.2
175.07565	3.2
177.09055	1.9
185.06000	4.6
187.07518	2.9
187.11165	3.3
191.03409	12.8
213.09047	2.4
215.07045	100.0
217.12437	1.5
217.15897	2.1
231.47092	1.5
233.08072	5.9
235.16962	1.9
241.08612	13.9
259.09662	34.0
273.11237	14.6
291.12292	88.1
292.12573	1.7
483.18338	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	483.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.2
61.02947	1.0
67.05508	2.6
69.03452	5.2
70.06618	1.2
70.91408	2.1
73.02909	0.8
81.03415	3.3
81.27251	0.9
82.06583	1.0
83.04993	1.6
85.02909	9.1
87.04443	1.5
91.05516	0.9
94.06562	3.9
95.07328	1.0
96.08130	2.5
97.02885	4.0
98.06044	2.2
108.08115	2.0
108.69788	0.9
109.02901	1.7
110.06047	2.8
110.09692	4.8
110.88152	1.0
111.04470	1.0
120.08119	3.4
122.06025	3.5
123.06873	1.2
124.07626	1.0
127.03969	1.4
136.07596	1.5
138.05493	4.0
138.09146	27.9
138.10219	1.5
139.03885	4.7
142.14455	0.9
148.07590	1.6
156.06572	21.4
166.08658	33.0
182.09708	1.1
184.11311	1.7
188.10727	2.0
196.09935	5.2
197.10771	1.9
198.07568	0.9
200.10739	1.0
202.08728	1.2
205.09756	1.3
206.08424	10.3
207.78514	1.0
211.12349	5.1
213.10248	1.4
214.08658	1.6
215.09380	1.2
216.10204	3.9
220.09848	2.0
221.10756	4.7
223.08716	3.2
224.09436	3.0
225.10210	1.1
226.11095	1.6
227.08060	1.8
227.11723	1.1
230.11722	1.7
232.09767	1.9
234.11244	4.5
237.10246	2.1
238.08012	0.9
238.11053	2.9
239.11749	11.8
240.10204	2.0
241.09715	4.2
243.11290	1.4
248.13063	1.1
257.09073	1.0
257.12814	2.9
258.11304	4.6
262.10797	7.4
267.11288	28.5
271.10785	2.1
272.11597	9.3
276.12360	8.2
285.12363	26.3
290.12634	3.7
303.13406	26.5
304.11761	8.5
321.14465	100.0
322.14740	1.6
331.72498	1.0
439.15704	1.7
475.12540	1.1
483.14786	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	483.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	2.8
64.44139	1.3
69.03441	6.9
71.00459	2.7
76.06695	1.2
81.03417	2.5
85.02925	9.9
91.69913	1.2
94.06593	1.6
97.02891	4.4
110.06092	1.6
120.08138	2.0
127.03909	1.4
174.07938	2.1
184.11276	1.4
189.10240	3.6
194.09581	1.9
195.09151	2.3
196.09889	6.5
197.10666	1.6
206.08379	19.2
209.07077	1.7
210.07860	1.9
211.08817	1.7
211.12317	10.1
213.10341	1.9
220.10042	2.8
221.10715	7.4
223.08662	4.8
224.09431	8.3
226.11108	1.5
227.08141	3.8
237.10204	5.6
238.11002	7.4
239.11804	24.9
244.12218	1.9
252.09021	1.9
254.10570	2.1
257.12860	7.5
267.11319	59.3
272.11591	3.9
275.13962	3.7
285.12357	63.6
290.12573	4.0
303.13403	100.0
320.79749	1.3
321.14462	21.8
439.15894	2.1
483.14426	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	483.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01878	2.8
55.05503	8.9
57.03431	5.8
61.01139	2.1
63.87756	1.9
65.80893	2.0
67.05505	7.3
69.03423	3.4
69.07069	8.7
71.04977	4.0
71.51128	3.6
72.49994	1.8
79.05498	17.5
80.44617	2.2
81.03413	4.8
81.07054	7.1
83.04964	9.6
85.02901	4.3
91.05477	8.2
93.07045	7.5
95.01307	2.1
95.04970	7.2
95.08622	2.4
97.02888	4.0
97.06549	31.3
99.04453	4.0
105.03461	3.0
105.07027	11.2
107.04952	2.5
107.08604	4.1
109.06529	2.2
109.10092	2.2
111.08078	5.4
112.08872	3.5
117.03378	3.1
117.07021	4.1
119.04936	3.5
119.08580	6.9
121.06500	8.6
128.06209	3.0
129.07028	3.9
130.07764	2.8
131.08569	7.5
133.02838	7.4
133.06450	1.9
133.10124	5.0
135.04436	4.2
142.07788	3.2
143.08601	5.3
145.02852	3.8
145.10130	20.5
147.04503	2.9
147.11719	4.3
154.07765	1.9
157.10153	8.2
158.07170	2.1
159.04407	5.8
159.08092	4.8
159.11700	17.2
161.02344	8.2
162.37141	2.4
163.03931	22.8
169.10136	4.6
171.08028	2.1
173.02359	100.0
173.09596	11.8
177.05450	10.4
185.05966	2.7
185.09590	3.1
187.03793	2.9
187.11171	23.6
191.03423	11.4
195.08051	3.1
213.09114	5.8
215.07054	87.1
215.10568	18.8
233.08214	4.9
241.08604	33.5
259.09686	46.6
273.11234	96.5
279.15735	2.6
289.14270	5.5
291.12216	3.1
420.24515	2.0
458.41827	2.0
465.24948	2.7
483.18024	3.7
483.25659	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	483.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40743	4.0
53.03945	6.4
55.01851	5.7
55.05511	13.3
57.03427	7.0
67.05511	9.0
69.03432	17.5
69.07064	18.7
69.39511	34.7
71.05013	11.6
79.05508	25.6
81.03402	9.9
81.07048	13.4
82.94447	3.8
83.04984	14.9
85.02917	14.3
87.00823	7.3
91.05482	10.5
93.07062	9.8
95.04977	5.5
97.02933	7.7
97.06525	64.1
98.20791	8.6
100.11273	7.7
105.07044	15.2
107.08617	11.0
109.02876	10.5
109.10159	5.9
111.08081	11.9
117.03429	6.1
119.08631	14.1
123.08154	5.3
127.03920	14.8
128.06203	5.0
129.07054	7.6
129.78058	4.0
131.08591	6.9
133.02859	10.6
133.10147	13.7
135.04422	9.0
143.08559	13.0
145.02852	7.8
145.06549	4.8
145.10152	13.6
147.04439	4.6
147.11613	4.7
149.44710	4.2
157.10182	15.8
159.02998	4.2
159.04436	5.2
159.08060	5.2
161.02458	5.9
161.13281	9.8
163.03880	41.2
171.06624	4.8
171.11676	16.8
173.02344	100.0
173.13252	8.7
185.06013	6.7
191.03439	13.4
195.07993	4.7
195.97760	3.8
199.14857	10.9
213.09108	7.1
215.07050	83.3
215.10509	5.9
217.15889	60.3
233.08099	5.4
235.16953	19.6
241.08617	47.8
259.09668	75.9
273.11240	88.9
291.12381	7.2
483.38565	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	483.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.6
55.05504	3.0
56.07965	1.2
57.03437	4.0
58.77027	1.3
67.05506	2.4
69.03431	2.3
69.07072	24.3
70.02178	5.1
71.05029	1.7
79.05503	12.5
81.07052	2.7
82.45370	1.2
82.99474	1.3
83.04990	2.6
85.02907	2.1
85.06542	2.3
87.08141	1.4
88.48773	1.2
89.03925	3.9
95.04975	1.7
97.06536	93.6
98.06925	1.8
104.58039	1.1
107.04943	1.4
109.55872	1.3
111.08080	2.7
117.03404	5.9
121.10191	1.5
129.09134	3.3
131.08536	1.6
133.02876	4.6
135.04446	7.8
136.14182	1.2
145.02864	7.3
159.04422	9.8
161.02348	31.2
163.03912	67.1
173.02356	62.3
185.06052	4.3
187.07480	2.1
191.03410	8.9
213.09190	1.8
215.07036	100.0
217.15685	1.6
233.08179	5.0
235.16833	1.8
241.08600	19.7
259.09683	28.6
273.11230	18.4
291.12292	100.0
292.12552	3.1
349.33322	1.4
380.69186	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.12
Annotation	Unknow
Peak:m/z	Relative Intensity
70.27954	4.3
74.09711	3.2
82.99854	2.7
87.06660	1.5
94.93013	5.2
96.92805	2.2
97.02846	2.6
100.45136	1.5
101.00875	20.5
112.89611	2.5
113.00867	7.6
115.02420	3.8
118.08665	2.2
119.01923	22.3
127.02407	5.6
131.01915	12.5
132.74176	1.6
133.03467	5.8
139.02448	1.4
143.01913	23.9
145.03487	13.4
155.01903	27.3
156.04208	15.3
157.03426	8.3
161.02975	20.4
163.04462	1.8
167.01915	12.6
169.03510	4.9
171.05042	3.2
173.02972	35.7
175.04512	6.8
177.02419	4.1
179.01926	5.8
183.01414	2.6
185.02960	46.4
187.04471	5.6
191.04051	2.2
197.02940	15.1
199.04463	2.2
200.07690	7.0
201.00571	3.1
201.02449	53.5
201.06134	3.2
201.07838	11.2
203.04001	12.8
209.02855	2.8
213.02458	10.2
214.02597	1.4
215.04053	8.8
218.08862	1.6
219.03506	71.2
219.09015	2.6
220.03636	3.1
221.05058	2.9
225.02345	2.2
227.04041	10.9
229.05641	3.0
231.03496	8.3
232.90089	1.8
237.02429	3.0
243.03461	3.8
245.05087	100.0
246.05261	3.1
249.04575	7.0
255.03494	4.0
257.05124	5.0
261.04526	16.0
263.06171	11.2
273.04602	2.7
275.06082	11.6
279.05637	4.4
285.04572	2.1
293.07187	4.1
303.05588	24.0
305.07300	9.7
311.98727	1.5
321.06699	28.5
321.10266	1.9
335.08264	2.3
365.09335	8.7
462.15640	1.7
483.16986	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68612	3.7
53.03939	4.5
55.05275	5.9
55.05515	82.2
58.99577	6.4
61.01153	23.9
67.05501	8.0
69.03423	7.2
70.06506	15.5
71.04983	10.6
78.36521	3.2
79.05463	10.3
81.03408	6.7
81.07040	10.4
83.04991	96.9
85.02920	5.7
89.00617	31.6
91.05468	15.0
93.07028	11.8
95.04969	6.5
95.08610	6.6
97.02870	4.3
97.06519	7.5
99.02695	4.3
99.04473	18.2
105.07026	21.3
107.04958	6.2
107.08585	8.3
109.10143	5.1
115.05470	6.1
117.07021	10.7
119.04955	4.1
119.08572	13.7
119.15369	3.5
121.06551	5.6
121.10144	4.0
123.08026	8.6
127.03893	3.7
128.06224	15.5
129.07024	19.3
131.04939	4.9
131.08572	12.2
132.99593	6.5
133.06474	9.8
133.10095	4.3
135.11676	5.3
141.07002	11.2
142.07814	26.7
143.08585	25.7
144.09351	4.3
145.06503	14.0
145.10110	14.4
147.08023	10.9
153.06883	3.9
154.07782	10.7
155.08530	12.3
157.06471	4.2
157.10130	32.1
158.07281	6.0
159.08047	6.2
159.11636	7.8
161.05984	5.5
161.09656	8.1
165.06984	5.1
167.08563	9.7
169.10179	27.7
171.06625	7.4
171.08051	16.9
171.11665	6.5
172.08748	3.9
173.06004	11.0
173.09637	23.7
174.41104	3.7
175.11220	6.6
179.08542	5.5
185.05965	5.3
185.09598	32.9
187.11270	17.1
189.09102	10.3
195.08098	7.3
197.09639	33.8
198.06743	5.3
199.11096	3.9
201.09120	16.2
202.94345	3.8
203.07079	4.2
203.10719	5.5
213.07277	6.6
213.09131	77.3
215.10706	33.8
217.15898	5.7
219.10139	3.6
225.09203	25.9
231.10175	33.6
233.11751	7.4
235.16949	7.4
243.10277	33.8
261.11295	12.8
289.02109	3.6
289.05405	7.6
293.08350	6.6
312.42786	3.5
319.09741	9.3
335.09341	5.3
337.11185	7.3
347.09329	5.9
365.10556	47.4
379.17355	6.2
383.11462	28.1
397.18369	4.8
439.19046	18.1
483.18036	100.0
484.17819	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
67.25872	1.9
70.49232	3.8
78.39896	1.9
82.99871	3.0
86.38984	1.7
87.54989	1.5
98.97601	2.4
101.00880	18.1
113.00890	8.4
115.02451	2.4
116.28062	1.5
116.55723	1.6
118.08714	3.2
119.01942	17.8
127.02446	6.6
129.04018	1.9
131.01909	12.4
133.03488	2.2
137.00838	2.3
139.02394	2.5
143.01898	29.8
143.02913	2.5
145.03502	12.9
148.59319	1.7
149.02888	2.6
155.01909	34.6
157.03493	8.4
159.01408	2.7
161.02974	17.1
167.01897	13.3
169.03447	4.5
171.05107	2.6
173.02977	36.2
173.55266	1.6
175.04596	2.2
177.02451	4.4
179.01906	5.4
181.03566	2.5
183.01447	3.7
183.99046	1.8
185.02963	43.9
186.03040	2.0
187.04543	5.8
193.03593	1.9
197.02989	17.7
201.02460	71.7
203.02394	2.5
203.04036	12.6
206.04025	1.8
209.02884	3.7
211.04630	2.1
213.02538	11.5
215.03964	8.9
215.98100	1.7
219.01369	4.0
219.03519	80.1
220.03770	3.0
221.02997	18.8
221.05087	4.8
225.02621	2.6
227.03937	12.2
231.03578	11.1
237.02502	5.2
239.04056	4.0
243.03467	2.7
245.05096	100.0
246.05338	3.0
249.04556	9.9
255.03481	6.9
255.49336	1.8
257.05121	6.1
261.04623	17.6
263.03915	2.4
263.06238	13.4
275.06235	10.9
279.05585	4.6
285.04630	3.8
293.07147	3.1
299.03690	1.8
303.05719	33.0
305.07428	9.1
321.06696	39.6
332.52368	1.7
335.08463	3.7
347.06317	5.5
365.09042	6.4
383.08160	7.5
424.51169	2.2
483.11844	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.9996
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	1.4
70.82145	1.3
72.78241	0.7
87.38969	0.7
98.97588	8.5
114.95592	1.1
116.98637	3.6
118.53734	0.7
132.96562	0.9
134.99648	1.1
138.95699	0.8
144.67480	0.9
156.96660	1.5
174.97699	7.2
179.28674	0.7
190.95634	1.3
192.98782	2.7
195.25363	0.9
208.96727	1.0
214.95660	11.8
216.98730	5.3
219.01968	0.8
232.96707	17.8
233.96843	0.9
234.99849	5.5
238.95609	1.7
240.98979	2.0
250.97760	10.3
256.96710	36.8
258.99933	8.8
259.99991	1.4
260.99841	2.1
261.02939	1.1
274.97754	57.4
275.97919	4.1
277.00894	5.9
279.01086	1.0
280.96579	3.6
282.99988	13.0
284.00095	2.0
284.99704	3.5
289.96494	1.5
292.98773	7.2
298.97766	85.1
299.97968	4.4
300.98026	1.4
301.01071	12.2
302.01297	1.8
303.00812	3.5
304.01071	1.5
305.00800	1.2
314.95712	1.2
316.98819	100.0
317.98917	5.5
334.99905	2.4
340.00351	1.4
340.98871	2.2
346.98325	0.9
356.96942	1.4
359.00003	8.1
374.97958	2.8
384.99673	1.0
398.97800	3.4
401.01099	1.7
416.99072	9.7
422.97824	5.5
425.01062	1.9
440.98898	83.3
441.98846	5.3
443.02130	3.0
447.01691	1.1
458.99930	69.4
460.00046	6.8
482.01636	4.3
483.00497	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	482.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
56.05029	1.2
57.03428	0.6
57.07075	4.0
57.90055	0.3
58.06618	1.2
59.07382	0.4
60.05893	0.4
60.08166	16.3
67.05499	0.6
68.80785	0.3
69.07078	0.8
71.07381	6.2
71.08636	2.0
71.12555	0.8
81.07059	0.8
83.08636	0.8
85.10184	0.7
85.14052	0.3
86.09711	48.7
95.08603	1.0
98.98479	3.8
104.10750	100.0
105.11057	0.7
109.10179	0.7
117.56061	0.5
125.00014	27.8
127.11200	1.0
135.90533	0.4
146.83199	0.4
163.01595	0.9
175.07690	0.5
184.07352	97.8
185.07613	0.7
221.17400	0.3
258.11053	1.3
299.25793	1.8
405.23935	0.5
454.00919	0.4
464.31454	8.9
482.32516	24.2
483.32761	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.3
56.43063	0.5
57.07088	0.8
62.06092	100.0
67.05504	3.6
69.03451	0.7
69.07074	3.6
71.04996	1.3
71.08629	0.7
71.51517	0.6
79.05504	1.8
81.07063	4.0
83.01357	1.6
83.04987	0.6
83.08630	2.3
84.44295	0.5
91.05502	1.7
93.07026	2.3
95.08608	2.9
97.06543	1.7
97.10190	1.8
105.07062	2.0
107.08609	2.1
109.06556	1.0
109.10180	3.2
110.10524	0.5
111.04451	0.8
119.08617	1.4
121.06534	0.9
121.09332	0.5
121.10184	1.8
123.11713	0.7
125.02366	0.8
125.06026	0.7
125.09662	0.6
127.11178	2.3
131.08607	0.9
133.10165	1.3
135.08095	1.1
135.11732	1.2
137.05968	0.7
139.03937	0.8
139.07523	0.7
141.05554	0.9
143.08585	0.7
145.10184	0.9
147.08113	0.5
147.11713	0.6
148.90073	0.5
149.09645	0.7
151.03964	1.1
151.07570	1.2
153.05525	1.8
157.10265	0.8
157.62605	0.6
161.06030	0.6
161.09625	0.7
161.13246	0.7
163.11180	0.8
165.09114	0.8
167.10710	0.6
170.10886	0.5
171.08113	0.7
171.11745	0.6
175.07608	0.7
175.14825	0.7
179.07014	0.7
181.08659	0.8
191.14459	0.8
192.14716	0.9
223.13376	0.7
231.13924	1.0
232.14232	0.5
237.14848	0.8
248.01682	0.5
251.16469	0.6
252.88712	0.5
265.17960	0.9
277.18176	0.5
305.21341	0.7
310.24741	0.5
319.22754	0.5
324.88428	0.5
373.43741	0.6
375.28976	11.3
403.28452	31.4
404.29102	0.6
421.29730	0.9
464.28851	1.0
482.29910	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.9
55.05514	10.0
57.07075	6.5
66.16620	5.2
67.05491	17.5
69.07052	14.0
71.08616	6.6
71.51707	8.5
79.05489	15.8
81.07057	18.7
83.08621	12.1
89.06026	19.3
91.05471	16.4
93.07063	26.8
95.04984	6.7
95.08601	13.5
97.06528	8.2
97.10081	6.1
103.05460	9.2
104.10741	27.6
105.07026	12.0
107.08582	17.4
109.10143	12.1
117.03386	5.8
117.07058	6.0
119.08594	15.9
121.06503	57.6
121.10130	9.0
123.11708	6.1
129.00977	5.7
135.08035	11.9
135.11647	11.5
140.04709	5.6
143.08577	6.2
145.10144	9.1
147.07947	6.1
147.11571	6.2
149.06004	100.0
153.05492	93.2
163.11261	7.9
170.56859	5.9
181.08615	97.2
181.12268	10.2
191.10690	10.9
195.12027	6.7
199.09705	36.4
207.13802	6.7
221.15259	5.9
229.15956	6.9
247.17012	29.7
287.19901	9.1
360.26102	6.8
463.31949	8.7
481.33054	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	482.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.6
53.40746	2.8
54.02188	2.9
55.05507	16.9
55.50817	3.8
57.03436	4.6
57.07086	16.8
60.04916	3.2
61.02917	5.3
63.76225	3.4
64.71951	3.1
67.05503	5.3
69.03428	17.7
69.06705	2.7
69.07070	62.7
69.84470	18.1
71.04970	7.5
71.08623	10.0
73.02913	3.2
73.06555	10.3
79.05463	3.2
79.14883	3.3
81.03413	14.3
83.08625	4.3
85.02910	52.1
85.10175	4.1
87.00812	19.4
89.06033	26.1
91.05454	5.7
93.07013	4.2
97.02896	35.6
97.06513	5.3
99.04428	5.7
105.01865	32.7
109.02894	20.0
111.11727	91.9
115.28704	3.1
127.03928	39.4
127.11196	6.7
127.88391	3.3
129.12766	100.0
129.63074	3.3
145.04950	14.1
151.07538	4.1
159.02940	6.5
189.04199	3.1
199.16945	15.1
217.17990	14.2
231.04942	9.7
249.06036	5.2
402.15869	3.4
460.84348	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	481.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03699	1.3
53.03940	3.2
55.01869	2.7
55.05506	4.6
57.03437	3.0
61.02941	1.6
61.75843	1.9
67.05511	4.7
68.99799	2.6
69.03439	11.2
69.07087	2.1
69.65330	8.5
71.05002	2.3
76.61814	1.3
79.05470	7.4
81.03410	10.3
81.07073	13.6
83.04971	5.5
85.02921	10.8
87.00827	6.9
91.05491	11.4
93.07033	9.4
95.04974	6.3
95.08621	7.2
97.02886	6.3
97.06518	3.4
99.04456	2.7
105.01883	2.0
105.07030	21.6
107.08603	12.3
108.02411	1.4
109.02889	6.4
109.06499	2.0
109.10155	3.8
111.04427	5.1
115.03954	2.8
115.05405	1.9
116.14268	1.4
117.07018	17.0
119.08589	18.6
121.06516	5.1
121.10130	6.8
123.04435	4.0
123.08110	1.6
125.06015	1.8
127.03911	13.1
128.06216	3.5
129.01883	1.9
129.07016	7.8
130.07809	2.4
131.08574	37.4
133.06403	1.7
133.10173	8.4
135.08043	2.5
135.11722	2.0
137.05989	12.1
141.07024	2.6
142.07780	7.9
143.08575	7.6
144.09361	7.1
145.04887	1.5
145.10132	27.0
147.11700	3.9
153.09135	2.4
155.08528	4.2
156.09309	2.1
157.10135	34.2
157.11324	2.4
158.10899	2.4
159.08054	2.3
159.11696	100.0
161.09660	1.9
163.07524	1.8
167.08580	3.3
168.09326	2.5
169.10150	5.8
170.10881	1.6
171.11751	9.2
173.09546	1.9
173.13306	6.3
175.11157	2.0
177.09128	5.8
181.10143	4.2
183.11713	7.3
185.09596	2.0
185.13275	8.4
187.14833	26.0
191.10733	2.5
193.10202	2.3
194.10938	2.2
195.11751	5.5
197.13347	5.6
199.11223	4.3
199.14851	1.7
201.12779	3.5
205.15924	2.1
207.11729	1.8
209.13280	2.3
211.14886	2.2
213.12881	2.3
215.14374	7.2
215.94341	1.5
217.12241	1.5
218.67804	1.4
225.12750	2.1
227.14401	3.5
229.15804	1.8
231.13869	4.3
233.15387	21.1
239.14427	2.1
243.13873	2.9
243.78094	1.5
245.15445	3.0
245.24339	1.9
249.12749	1.5
255.13748	1.6
257.15317	1.6
261.15372	2.0
267.13770	2.5
273.14786	4.1
295.16788	1.8
313.18143	2.4
323.16583	3.0
341.17459	4.1
359.18524	5.1
377.19623	1.8
395.20718	2.8
445.18634	7.3
463.19406	6.9
481.20978	2.6
502.16782	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	12.2
55.01870	7.5
55.05514	20.9
57.03433	8.9
57.80577	2.4
61.02925	9.3
67.05514	13.0
67.05801	2.5
67.66240	2.2
68.99796	12.1
69.03080	4.5
69.03431	55.8
69.07081	14.4
69.19321	2.2
69.31116	16.5
70.06578	2.1
71.04997	17.6
72.06181	2.3
73.02905	4.9
74.90791	2.8
79.05502	7.7
81.03427	45.1
81.07055	10.0
83.01361	3.4
83.04990	22.7
83.08632	3.6
85.02913	96.6
85.06574	3.1
87.00829	32.8
87.04432	3.3
91.05500	8.2
93.03423	3.4
93.07040	5.5
93.93846	2.5
95.04990	3.0
95.08598	13.0
97.02896	27.4
97.10184	8.5
99.04453	13.0
103.03952	6.2
105.01867	19.1
105.07041	9.2
107.08620	3.6
109.02892	42.2
109.06543	4.4
109.10180	17.0
111.04458	15.0
113.06127	2.4
115.03944	5.9
117.06974	3.4
119.08578	11.8
121.06528	24.2
123.08069	6.2
123.11670	2.9
127.03918	69.2
127.11200	50.4
129.01842	9.8
129.07037	5.1
131.08598	7.8
133.06483	4.9
133.10136	3.1
135.08060	5.7
137.05978	56.5
143.08557	4.4
145.04948	17.5
145.06575	3.5
145.10184	6.2
147.02930	3.7
147.08089	4.7
149.09624	20.5
151.07559	81.7
157.10110	3.5
158.07310	4.4
159.02881	13.5
159.08073	8.8
161.05959	5.8
161.09625	4.7
162.06624	4.2
163.07506	12.0
165.09135	4.9
171.08075	2.6
173.09592	12.5
175.07556	14.0
175.11198	2.9
177.09119	100.0
185.09694	3.9
187.07600	3.1
187.11247	2.8
189.03966	3.9
189.09117	12.1
191.10733	9.0
193.08716	4.5
197.18993	2.8
200.08369	2.5
200.71393	3.0
201.09081	24.3
203.06993	2.8
207.10197	4.8
211.11171	3.1
213.03885	12.8
213.09145	5.1
215.10590	5.2
219.10237	4.7
221.15392	5.1
231.05002	18.7
231.13870	4.9
233.15349	42.3
243.10185	6.3
245.15358	4.2
251.16385	17.7
257.15445	7.7
267.10257	4.2
275.16373	12.2
297.13394	4.5
299.16544	5.5
317.17572	3.0
323.16403	6.0
341.17435	9.7
445.18591	3.8
481.20450	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	481.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	12.0
54.83107	5.9
55.01884	9.1
55.05517	30.3
56.52197	6.6
57.03437	17.0
61.02918	11.7
67.05497	12.5
68.99802	11.3
69.03433	67.6
69.07034	6.6
69.92648	27.9
70.06575	8.0
71.05005	13.8
73.02915	8.8
77.67141	6.0
79.05499	10.2
81.03441	52.4
81.07050	5.9
83.04986	26.8
85.02911	100.0
87.00827	41.5
87.04487	12.2
91.05496	15.0
95.04962	10.0
95.08613	10.2
97.02900	51.5
98.06084	15.5
98.20795	6.1
99.04453	19.6
105.01900	22.9
105.07032	22.8
107.04990	9.1
107.08604	5.7
109.02895	41.3
109.06521	6.3
109.10160	12.4
111.04486	6.2
112.07698	6.0
115.03942	18.5
119.08594	7.8
120.08090	6.1
121.06513	29.5
123.04407	7.7
127.03929	67.5
127.11192	26.6
129.01852	11.5
133.06421	7.4
135.08081	16.9
137.05980	93.6
137.06960	8.7
143.08559	6.9
145.04951	18.1
147.02960	11.7
149.06030	8.0
149.09630	16.8
151.07556	60.9
157.10146	7.8
159.02921	21.9
159.08026	9.5
161.05914	11.0
161.09612	10.3
163.07585	14.5
172.08838	6.4
173.09648	21.6
174.06824	10.2
175.07516	26.6
175.11200	6.8
177.09123	98.8
185.09590	8.9
187.07571	8.4
188.08357	7.0
189.03986	10.1
189.09171	30.9
191.10648	79.1
194.07230	6.9
195.38884	6.0
199.07698	6.6
201.09111	35.6
205.12276	6.7
213.03899	6.4
213.09195	11.2
215.10724	16.8
217.12245	19.8
219.10176	7.2
227.10585	9.4
229.12289	17.8
231.13943	11.5
233.15405	40.9
243.13828	19.6
245.15446	37.3
257.15411	47.2
261.11432	8.2
269.15451	12.4
285.11359	6.9
297.11096	5.9
299.16391	33.2
319.15363	8.5
323.16373	35.9
341.17438	15.7
382.18588	8.3
445.18646	9.7
481.21097	13.6
482.23999	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.309
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
52.58955	1.9
53.03956	1.4
54.93890	1.4
55.05270	1.8
55.05515	14.8
57.03428	4.7
57.07068	4.0
62.06097	25.8
63.33205	1.4
67.05509	14.4
68.05823	1.9
69.07074	20.7
70.08049	6.0
71.04998	1.9
71.08632	2.5
76.24378	1.7
79.05494	8.0
81.07056	13.9
82.70796	1.4
83.08621	12.7
88.04006	1.9
91.05470	2.3
93.07059	8.2
95.08604	14.2
97.10175	5.6
98.20871	2.3
98.98447	6.4
99.10372	1.4
103.35532	1.9
105.07041	2.1
107.08582	5.0
109.10167	11.4
110.10488	2.8
111.08043	1.5
111.11727	2.7
112.89149	1.5
113.91759	1.6
121.10130	4.4
123.11674	2.2
125.75095	1.7
127.11176	4.6
135.11667	2.2
155.01048	8.6
158.29498	1.5
216.06348	3.0
234.46951	1.8
263.08868	1.5
265.25214	5.0
270.16974	1.8
308.29495	15.4
339.28976	100.0
340.29370	2.5
419.25565	3.1
462.28027	2.6
480.28796	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	481.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01871	3.4
55.05525	3.0
57.03429	4.1
61.02897	2.8
65.54939	2.5
67.05518	4.4
69.03436	27.1
69.07075	4.3
70.68447	6.2
71.05004	4.2
73.02914	2.4
79.05508	2.9
81.03427	22.3
81.07056	4.4
82.28719	2.2
83.01319	2.9
85.02914	54.1
87.00836	16.2
91.05480	3.1
95.00764	2.2
95.08630	3.2
97.02920	15.6
98.97585	6.3
99.04472	7.1
105.01878	15.1
105.07080	3.8
107.08599	3.0
108.92504	2.2
109.02894	17.2
109.06535	4.3
109.10170	5.6
119.08548	2.9
121.06509	14.2
123.08022	3.0
127.03926	34.9
131.08586	7.2
135.08113	3.0
137.05986	21.4
145.05009	11.9
149.09631	14.7
150.45897	2.8
151.07581	19.6
159.02937	7.3
159.08141	3.6
162.06662	2.5
163.07567	4.3
173.00090	2.4
175.07549	7.9
177.09109	50.8
189.09123	6.9
207.10181	3.1
215.77983	2.7
219.01721	3.4
231.05042	4.1
231.13878	4.6
233.15395	18.9
237.02827	3.1
283.11127	4.6
395.10373	4.4
437.12155	14.2
443.60712	2.4
481.11118	100.0
481.18008	4.1
481.49878	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	481.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01058	2.4
53.03941	7.0
55.01866	5.3
55.05514	14.8
56.38350	2.3
57.03432	6.8
61.02921	10.8
65.91129	2.2
67.05505	7.9
68.99794	9.2
69.03436	30.8
69.07067	7.9
70.84252	5.3
71.05003	11.6
73.02910	4.3
79.05499	5.6
81.03430	29.3
81.07041	3.4
83.05000	12.5
85.02915	61.6
87.00843	23.7
91.05489	4.8
93.03396	3.5
95.08596	9.7
97.02891	11.7
97.10172	9.7
99.04461	7.5
103.03944	6.1
105.01872	8.0
105.07034	7.2
107.04926	2.3
107.08609	4.2
109.02897	25.6
109.06528	5.8
109.10168	13.3
111.04458	28.4
115.05454	3.7
119.08553	3.8
121.06523	14.4
122.32829	2.3
123.08093	4.6
127.03925	43.2
127.11230	28.2
128.93512	2.4
129.01855	9.8
129.07031	3.9
131.08546	5.1
133.06488	3.0
135.08064	7.7
137.05992	47.5
137.56813	2.9
145.04955	6.8
145.10144	8.0
147.02911	4.7
147.08037	6.0
149.06050	3.2
149.09621	10.0
151.07558	100.0
155.08577	3.5
158.07213	3.3
159.02911	8.8
159.08096	6.8
161.05986	10.4
161.09647	4.1
162.06750	3.9
163.07556	6.8
165.09138	8.0
173.09665	16.2
175.07581	18.1
175.11122	3.0
177.09123	50.8
179.07022	5.8
187.07527	4.1
189.03934	7.3
189.09187	13.9
191.07043	4.3
191.10693	5.7
193.08685	5.1
197.09639	5.9
201.09113	40.2
203.10622	3.1
213.03993	6.6
213.09084	7.2
215.07060	5.1
215.10698	7.6
217.08562	6.4
219.10176	14.5
221.15302	11.3
231.05077	7.8
231.13808	5.8
233.15414	17.7
239.10698	3.7
243.10216	12.9
245.15352	6.3
257.15381	10.1
259.09796	2.8
267.10236	6.8
269.15475	3.7
275.16507	11.9
285.11194	6.8
299.16379	8.7
323.16501	8.4
341.17654	12.9
389.12115	4.9
418.04504	2.5
445.18707	2.9
481.20618	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	479.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01867	2.8
55.05505	8.4
57.03423	3.3
67.05497	18.0
69.03432	6.7
69.07066	9.7
70.96331	5.0
71.04994	34.8
73.01479	2.2
79.05508	12.2
81.03423	4.6
81.07056	14.9
83.01341	5.3
83.05010	4.0
83.08636	2.4
85.02876	2.7
91.05484	10.9
93.07049	6.9
95.04993	3.2
95.08616	8.5
97.02910	2.9
99.04494	2.0
105.07052	10.1
107.04964	2.1
107.08607	7.1
108.00194	1.9
109.10133	12.0
115.05513	2.7
117.07021	6.1
119.04924	5.5
119.08599	6.3
121.06538	5.1
121.10125	3.7
123.08067	2.2
127.03969	3.3
127.11204	100.0
128.06305	2.8
129.07008	3.9
131.08594	7.1
133.06526	4.6
133.10092	6.4
135.08066	5.2
135.11778	2.7
137.05989	7.9
139.03888	2.1
143.08545	5.8
145.06528	4.8
145.10132	6.2
147.08055	4.4
148.08908	2.6
149.06012	5.6
151.07588	7.7
153.05504	4.3
155.03453	2.6
157.10172	4.9
159.08075	11.8
159.11720	5.9
160.08830	2.2
161.05981	8.8
161.09625	5.6
163.07533	6.1
167.07063	3.2
171.08095	3.6
172.08871	4.1
173.09628	17.1
173.13297	2.6
174.06749	2.7
175.07579	17.7
175.11168	3.2
177.05492	9.4
177.09146	8.5
179.07089	5.4
185.09624	3.8
187.07611	15.2
187.11180	2.4
188.08318	3.3
189.05443	4.2
189.09109	11.0
189.12968	2.8
191.07062	7.5
191.10616	2.7
193.08696	3.4
199.11235	5.7
201.12808	4.6
209.08061	3.6
212.08334	3.8
214.13506	4.4
215.10677	9.9
215.14325	9.5
216.15161	6.9
217.12296	5.1
227.10674	3.7
229.12225	25.3
230.13040	4.3
231.13785	19.3
243.13831	3.1
245.11760	17.4
247.13278	12.7
263.12793	14.6
297.11194	4.4
309.11176	2.6
325.14227	2.6
337.14420	5.0
352.16632	10.1
353.17419	9.7
397.20273	2.9
423.21750	20.5
451.28342	3.3
461.27087	11.1
464.78873	2.2
479.27982	67.0
480.27884	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2794
Annotation	Kazinol R
Peak:m/z	Relative Intensity
50.28975	2.8
50.52132	2.8
53.03945	6.2
55.01875	3.7
55.05513	18.2
57.03423	11.1
57.07065	3.0
67.05508	40.8
69.03444	21.7
69.07071	24.5
71.04697	2.6
71.04999	25.8
71.32001	4.4
73.02916	4.3
78.58087	2.5
79.05503	24.9
81.03422	8.0
81.07065	38.6
83.04967	9.6
83.08615	3.8
85.02895	4.0
91.05484	32.1
93.07056	32.0
95.04955	7.8
95.08602	19.7
97.02886	7.7
97.06516	5.4
105.07033	35.7
107.04929	6.2
107.08614	35.5
109.02888	3.3
109.06543	7.4
109.10162	30.2
111.04431	3.5
111.08104	3.6
115.05389	3.7
117.07012	13.8
119.08588	26.6
121.06514	13.6
121.10133	12.0
123.04420	10.7
123.08059	7.6
123.11677	4.4
125.09613	7.3
127.03912	3.8
127.11211	35.8
129.07011	16.8
131.08574	19.7
133.06573	3.3
133.10165	20.4
135.08090	14.8
135.11740	6.6
137.05959	16.6
137.09589	3.7
142.07773	3.7
143.08533	20.1
145.06477	10.0
145.10114	17.9
146.07277	4.8
147.08063	6.5
147.11676	8.2
149.06036	3.7
149.09619	12.5
149.13211	4.1
151.07553	22.7
154.07805	3.9
155.08611	5.2
156.09352	6.3
157.06474	4.2
157.10115	13.4
158.07294	4.4
159.08102	14.8
159.11694	11.1
161.05991	18.2
161.09616	39.0
163.07573	16.6
163.11232	5.1
165.07004	3.6
167.07117	7.1
167.08604	5.8
169.10124	7.2
171.08084	6.2
171.11725	18.1
172.08818	4.0
173.09660	12.8
173.13226	7.0
174.06764	15.2
175.07552	55.6
175.11165	9.4
177.09119	25.4
183.11723	8.3
184.07146	3.1
185.09651	3.4
185.13301	9.1
186.10432	3.3
187.07492	12.8
187.11205	9.6
188.08342	6.7
189.09125	63.0
190.09889	6.1
191.07051	3.6
191.10713	35.2
193.08627	4.4
193.10310	3.9
193.12282	4.2
195.11644	5.4
196.08835	3.5
197.09645	5.0
199.07550	5.5
199.11241	4.2
201.09091	8.6
201.12733	6.5
202.09825	5.5
203.10690	8.7
207.10109	4.1
213.12750	12.0
213.16373	11.3
214.09866	6.9
215.10648	12.9
216.11372	3.9
217.12222	10.7
223.11258	3.7
227.10655	8.1
229.12254	70.4
230.12947	6.6
231.13811	100.0
239.10757	3.8
241.08415	3.8
241.12141	3.4
243.13831	7.1
243.17462	4.2
245.11710	8.9
247.13257	33.7
248.14085	5.0
253.12274	3.5
289.17972	17.9
311.12781	3.2
323.15997	3.3
351.23077	6.1
369.24200	8.2
393.20526	4.1
421.23993	6.4
423.21475	7.7
433.27045	6.7
443.27072	5.6
451.28564	4.8
461.27176	32.7
479.28040	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2798
Annotation	Kazinol R
Peak:m/z	Relative Intensity
55.01863	2.7
55.05491	8.2
67.05510	18.0
68.99799	2.1
69.03416	5.9
69.07059	7.2
71.05000	34.2
71.11411	4.9
79.05491	8.9
81.03410	3.3
81.07047	12.6
83.01323	5.6
83.05000	3.3
83.08625	3.3
91.05479	11.9
93.07040	7.7
95.04939	3.0
95.08596	9.4
105.07038	11.0
107.04981	3.8
107.08590	9.6
109.06482	3.2
109.10150	12.5
111.04400	3.0
119.04902	3.0
119.08578	7.3
121.06517	8.9
121.10146	4.1
123.04371	2.5
123.08032	2.9
125.09642	3.0
127.11201	100.0
128.06271	2.6
129.06993	4.2
130.07803	2.2
131.08527	3.1
133.06517	3.4
133.10159	4.7
135.08075	6.8
137.05988	8.1
143.08560	8.1
145.06566	4.7
145.10153	8.6
147.08012	3.4
147.11708	3.5
148.71796	2.2
149.06004	4.7
149.09679	4.2
151.07602	12.1
153.05455	5.6
155.03334	3.0
157.10152	3.1
159.08031	12.2
160.08910	2.8
161.05986	5.0
161.09642	9.0
163.07591	8.7
167.07080	4.8
171.07990	4.1
171.11766	2.3
172.08861	4.7
173.09676	17.6
174.06790	4.6
175.07555	22.7
175.11217	3.2
177.05499	10.0
177.09123	10.1
179.07074	5.6
181.12090	2.0
185.09612	2.3
185.13179	2.4
187.07581	13.6
188.08287	6.1
189.05533	5.6
189.09077	14.2
191.07050	9.2
191.10669	6.9
193.08609	3.1
201.09114	2.7
202.09975	2.8
203.07187	4.0
203.14342	2.8
207.10155	2.3
209.08121	3.5
215.10765	10.2
215.14330	9.2
216.15086	10.8
217.12221	7.0
217.15849	3.2
227.10719	4.5
229.12265	25.8
230.12987	6.4
231.13853	20.2
233.15471	2.9
245.11742	17.1
245.15453	2.5
247.13422	11.6
263.12851	10.9
297.11096	3.4
309.11182	2.2
323.13043	2.4
335.16754	2.3
352.16556	10.1
353.17514	8.3
379.19315	2.8
393.20987	2.5
397.20074	3.3
405.20590	3.6
423.21756	22.1
433.27383	3.3
461.26840	15.0
479.27988	75.1
480.27728	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	479.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
54.38625	1.0
55.01865	3.7
55.05509	2.3
57.03428	3.8
59.04994	1.2
61.02916	3.2
67.05516	1.8
68.99776	1.4
69.03078	1.8
69.03434	21.7
69.07072	6.8
69.47492	1.3
70.94792	1.5
70.95108	1.6
71.04985	3.8
73.02915	2.5
79.05494	3.9
79.63908	1.0
81.03419	19.1
81.07045	1.5
83.04986	2.6
83.08624	3.3
85.02912	34.5
85.06537	2.1
87.00846	9.2
91.05482	4.1
93.07050	1.2
95.04934	1.3
95.08580	3.5
97.02896	9.7
99.04472	7.0
103.03944	2.7
105.01878	7.6
105.07021	3.7
107.08620	5.5
109.02886	20.7
117.01807	1.2
117.07074	1.1
119.08612	2.3
120.82306	1.1
121.06505	3.8
121.10156	1.6
123.04452	1.4
123.08053	1.2
127.02972	1.8
127.03929	32.7
128.06215	2.0
129.01834	2.5
129.07039	2.1
131.08556	1.8
133.06491	1.8
133.10098	1.9
135.04440	1.9
135.08066	2.2
137.05986	9.3
143.08568	2.8
145.04971	9.2
145.06334	1.9
145.10124	1.4
147.02895	2.1
147.08076	6.6
149.09645	1.7
151.07558	2.6
157.10045	1.1
159.02925	7.8
159.08083	4.0
159.11708	1.7
160.05191	1.6
161.05978	4.1
161.09642	9.6
163.07515	2.2
169.51094	1.1
171.08067	3.0
172.08958	1.2
173.09612	3.2
174.06792	5.3
175.07570	53.5
176.08224	1.3
177.09059	1.4
187.07516	2.3
187.11201	3.1
188.08415	6.2
189.03920	3.6
189.09143	19.6
189.12761	1.5
195.13744	1.1
199.11218	1.5
201.09206	3.1
202.09940	3.1
203.10646	3.6
203.14430	1.8
205.08638	2.2
213.04037	1.7
213.12808	2.6
215.10730	7.7
216.11473	15.5
217.12247	1.6
229.12242	2.7
231.05038	7.2
231.13818	100.0
232.14214	1.9
243.13788	1.8
247.13374	1.1
255.13754	2.3
273.14880	2.5
393.18900	2.0
423.12845	1.4
435.20615	1.5
479.19052	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	479.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01864	4.9
55.05516	5.0
57.03435	5.0
61.02921	3.1
61.95748	1.4
64.26260	1.4
66.20850	1.4
67.05504	2.6
68.99796	4.1
69.03432	23.4
69.07058	4.5
69.38065	13.1
70.06593	4.8
71.01392	1.5
71.04991	4.2
73.02924	3.9
78.48115	1.4
79.05504	6.8
81.03423	20.4
81.07054	4.5
83.04981	13.3
83.08627	1.3
84.08134	2.4
85.02911	33.8
86.09708	2.2
87.00835	10.3
91.05485	7.3
93.03419	2.2
93.07050	4.3
95.04987	1.9
95.08610	7.6
97.02895	11.6
98.20674	2.7
99.04464	6.2
99.38496	1.4
103.03963	4.2
105.01872	6.9
105.07053	7.5
107.08602	5.6
109.02877	16.0
109.06525	3.3
111.04446	13.6
119.04967	1.7
119.08581	2.8
121.06512	10.7
123.04453	3.7
123.08076	5.2
125.93533	1.7
127.03938	24.0
128.06213	2.9
129.01807	2.1
129.06960	3.4
131.08580	2.8
133.06483	2.0
133.10150	2.5
135.08072	4.4
137.05994	18.0
143.08574	5.2
145.04971	8.8
145.06488	3.0
145.10132	4.4
146.07277	2.4
147.02943	2.8
147.08035	5.0
149.05960	1.8
149.09651	2.8
151.07552	41.1
157.06558	3.0
157.10085	2.3
159.02911	5.3
159.08090	3.9
161.05992	6.8
161.09633	18.9
163.07553	5.2
171.08070	3.4
172.08775	1.6
174.06735	8.3
175.07561	58.2
176.08305	2.4
177.09154	10.3
185.09508	2.6
186.06787	1.7
187.06006	3.2
187.07590	4.7
188.08322	7.9
189.04037	3.7
189.09117	63.4
191.07062	3.3
191.10678	5.5
193.08669	2.4
199.07576	2.7
201.09189	7.6
202.09900	4.6
203.10652	2.6
205.08546	2.4
213.09126	3.8
214.09918	2.3
215.10693	4.3
216.11488	1.8
217.08649	2.8
217.12265	5.3
219.10167	4.1
227.10744	1.8
229.12263	27.5
229.14319	2.8
231.05002	5.0
231.10120	3.8
231.13814	100.0
232.14256	1.8
241.12128	3.1
243.13832	4.1
247.13309	3.6
255.13890	5.0
259.09732	2.2
273.14865	5.2
297.14987	2.0
317.06317	2.4
339.15887	3.5
357.17050	3.3
399.17816	1.7
425.04825	1.6
461.18109	2.4
479.19327	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	479.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.7
55.01860	8.7
55.05514	5.9
57.03428	8.0
67.05508	5.7
68.32573	3.0
68.99796	8.0
69.03429	34.1
69.67982	13.2
69.74979	2.9
71.04996	4.0
74.53941	2.4
76.34364	2.3
79.05486	3.3
80.22093	2.9
81.03432	28.7
81.07056	5.0
83.04964	8.4
85.02443	2.5
85.02908	58.7
87.00838	18.1
87.04454	2.9
88.90942	2.7
91.05483	7.7
93.07052	2.9
95.04952	5.1
95.08615	5.3
97.02895	18.5
99.04446	5.6
105.01879	15.0
105.07001	5.5
107.08587	14.2
109.02337	2.4
109.02911	24.2
111.04423	15.6
111.86849	2.8
115.03922	3.6
119.08657	2.8
120.08103	3.6
121.06488	8.6
123.04438	8.7
127.03913	40.0
129.01891	5.6
129.05548	4.1
131.08580	4.3
135.08070	4.6
137.06018	23.1
141.05472	4.0
143.08543	4.7
145.04976	9.3
145.10080	4.4
147.08008	5.2
149.05908	7.1
151.07555	20.0
159.02852	6.5
159.08095	5.3
161.06032	9.8
161.09679	7.8
163.07513	15.9
171.08101	3.1
173.09662	7.8
174.06808	3.6
175.07571	56.3
175.11153	10.8
176.08304	3.2
177.09134	8.3
187.07497	4.2
188.08325	5.7
189.03979	4.2
189.09126	24.1
191.10699	32.2
199.07600	5.8
201.09108	11.5
203.10591	4.8
203.14288	5.6
205.12283	14.4
211.07631	3.4
212.08220	2.9
213.03923	4.2
213.09180	5.6
214.09911	12.1
215.10716	8.5
217.12268	7.8
226.09857	4.9
227.10823	4.2
229.12250	100.0
231.05064	5.3
231.13817	96.6
241.12204	18.0
243.13776	31.4
253.12347	3.4
255.13855	10.6
271.13602	2.8
273.14816	10.0
285.14893	4.6
293.15637	3.3
313.54578	2.8
321.14651	4.2
339.15875	4.7
357.16943	6.0
412.75507	3.0
443.16800	3.3
461.17941	4.7
479.18790	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	479.119
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
68.99793	0.4
69.34349	1.8
70.06581	0.3
70.21718	0.2
71.04962	0.3
81.03408	0.2
85.02922	0.5
86.09736	0.4
93.07027	0.3
97.02831	0.2
97.34803	0.2
98.20619	0.2
99.00812	0.6
109.02843	0.2
112.01604	0.4
127.00290	0.4
127.03925	0.3
131.08600	0.2
133.10248	0.2
134.03606	0.2
134.47031	0.2
134.62236	0.2
135.04414	0.7
137.02332	1.6
137.06017	0.2
140.01085	0.5
143.08575	0.3
145.04892	0.2
168.00555	9.2
169.01335	0.9
175.07692	0.3
186.01598	3.0
189.09074	0.3
231.13832	1.3
271.06067	0.4
274.04755	0.9
301.03268	0.4
302.04233	67.6
303.04654	1.2
317.06580	100.0
318.06927	1.8
330.16925	0.8
347.19846	0.3
479.18747	0.4
504.16141	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01864	0.6
55.05515	1.1
56.05019	0.6
57.03434	1.0
61.02926	2.3
63.79923	0.5
67.05505	1.2
67.40330	0.6
68.99784	0.7
69.03437	5.0
69.07069	0.7
69.62516	3.8
70.06596	1.5
71.05005	0.7
72.08155	1.2
73.02933	0.7
79.05495	1.3
81.03422	4.0
81.07076	0.8
83.04979	2.6
84.04492	0.7
84.08143	1.2
85.02913	9.9
86.09727	0.8
87.00834	0.6
91.05491	1.8
92.02634	1.2
93.07045	1.2
95.04961	0.8
95.08639	0.7
97.02906	4.2
99.04453	1.1
103.05455	0.7
105.07024	1.2
107.04961	0.7
107.08594	0.5
109.02920	1.1
109.06570	1.0
116.07092	0.6
119.08572	1.2
120.08110	1.1
121.02869	1.8
121.06495	0.6
122.03538	0.6
123.08031	0.7
127.03947	3.4
135.04442	0.8
135.08067	0.6
137.05997	5.4
137.09671	0.7
143.08594	0.7
145.04990	1.5
149.06009	0.9
151.03961	1.1
151.07556	4.2
153.01842	2.4
157.10091	0.6
161.05983	2.2
161.09706	0.7
163.07579	1.0
168.00604	0.7
169.01215	0.5
171.08047	0.6
173.09718	0.7
175.07591	0.9
176.73155	0.7
189.09177	1.5
195.10150	1.3
213.12520	0.6
228.04202	1.7
229.05003	1.9
231.13776	1.3
237.09431	0.6
245.04504	1.0
257.04501	2.0
273.03983	1.1
274.04770	3.4
285.04025	2.4
301.03571	2.9
301.06607	0.8
302.04236	33.6
303.07599	0.7
317.06592	100.0
318.06921	1.9
362.16055	0.7
479.22192	0.8
480.22021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84850	0.8
53.03949	11.4
55.01873	5.7
55.05508	6.4
55.94857	1.0
57.03442	8.2
57.07071	1.0
58.37521	0.8
59.04977	1.0
60.10071	0.8
61.02916	3.3
65.03930	2.1
67.05510	9.9
68.05806	1.0
68.99783	8.1
69.03432	52.2
69.07051	2.8
70.32822	2.8
71.01350	2.4
71.04993	11.1
73.02908	2.6
73.90468	0.9
73.93758	0.9
79.05499	5.6
80.05846	1.2
81.03422	62.6
81.07052	8.2
83.01344	1.8
83.04978	12.2
83.08604	2.7
85.02909	71.7
87.00834	19.9
87.04462	0.9
87.89188	0.9
91.05475	5.0
93.07048	7.0
95.04993	5.2
95.08608	3.8
97.02891	19.0
97.06519	1.6
97.10152	1.8
97.67847	0.9
98.10477	0.9
99.04456	18.5
101.02362	1.1
103.03967	4.6
103.05466	1.4
105.01875	6.1
105.07020	5.3
107.04970	1.9
107.08614	4.6
109.02884	46.8
109.06522	2.8
109.10157	4.1
111.04459	7.9
113.02348	1.8
115.03944	2.1
115.05358	0.9
117.07033	1.9
119.04918	1.0
119.08565	2.4
121.02859	1.6
121.06538	1.0
121.10129	2.5
122.06803	0.8
123.04384	5.1
123.08035	1.2
125.02363	2.4
125.09615	1.8
127.03922	100.0
127.11175	3.8
129.01830	3.4
129.05505	1.1
129.06972	1.3
129.20645	0.9
131.08574	3.2
133.06485	1.3
133.10138	2.0
135.08072	1.9
135.11740	1.1
137.02325	1.4
137.05968	3.1
139.03935	1.6
139.76753	0.9
141.05440	1.2
142.07748	1.0
143.08525	1.8
145.04956	5.0
145.06462	1.0
145.10129	1.7
147.02869	2.1
147.08043	2.2
147.11697	1.6
149.02390	1.8
149.05994	1.0
149.09706	0.9
151.03896	4.2
151.07535	3.0
153.01759	1.1
155.08556	1.2
156.25847	0.9
157.10159	1.6
158.03619	0.9
159.08009	1.2
161.06035	1.6
161.09644	1.5
163.07568	2.6
163.11229	1.8
165.05504	1.4
165.09085	1.5
169.04994	6.7
171.02887	4.1
171.11713	1.9
173.05826	1.3
173.09644	2.0
175.07541	3.4
175.11200	1.5
177.09125	1.6
187.05994	5.3
187.07513	1.8
189.03986	8.9
189.09114	2.3
193.04930	1.9
195.11703	1.0
203.10725	1.2
207.06589	1.6
211.11107	1.1
211.13023	1.1
213.03970	14.3
214.09746	1.1
217.05035	1.6
229.12329	2.1
231.04977	10.1
231.13898	4.4
235.06012	2.0
247.13365	1.3
255.05017	2.7
257.11954	1.2
259.04541	0.9
273.06027	6.9
295.75089	0.9
339.07159	2.6
368.23068	1.3
386.24136	3.0
425.07303	1.0
443.08151	3.2
460.27472	1.9
461.09290	15.6
461.27563	2.8
479.28647	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	479.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.5
55.01870	7.3
55.05501	6.0
57.03431	9.8
61.02916	6.1
65.15658	2.2
67.05496	3.2
68.99782	8.4
69.03438	41.7
69.64991	2.4
69.96857	4.6
69.97269	9.0
70.06604	20.8
71.04987	9.3
79.05508	3.7
79.46615	2.5
79.80782	2.6
81.03420	58.3
81.07050	5.8
82.06588	11.8
83.04996	19.3
83.06949	3.8
84.08136	5.9
85.02910	60.0
86.33144	2.7
87.00827	23.1
91.05480	5.2
93.07050	4.0
95.04993	2.8
95.08587	5.4
95.14275	2.8
97.02904	18.2
99.04453	17.2
100.07627	44.3
101.07955	10.0
103.03936	3.2
105.01855	6.9
109.02883	44.3
111.04438	11.9
115.03950	3.3
116.32969	2.9
119.08582	5.3
123.04449	3.7
127.03925	100.0
128.07088	58.8
129.01820	4.9
129.07434	18.1
131.08643	3.1
133.06531	3.0
137.05966	5.3
141.05490	2.7
145.04988	5.9
149.05928	2.9
151.03960	4.3
159.02951	3.8
161.06015	3.5
169.04988	7.7
171.02904	4.0
187.06015	6.0
189.03897	11.7
189.05444	4.0
193.04945	3.2
213.04012	12.8
231.04987	10.8
231.13847	4.4
235.05942	3.2
273.06015	5.5
302.04092	6.1
317.06558	8.7
339.07376	3.8
432.23685	6.7
433.24298	22.7
461.09067	9.3
478.24078	4.8
479.24695	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.9
55.01863	7.2
55.05509	4.4
55.37550	2.3
55.98497	2.0
57.03433	5.6
61.02925	4.0
61.24991	2.6
65.03954	2.2
67.05492	7.8
68.99789	7.9
69.03432	48.9
69.53675	2.5
70.56058	2.2
71.04996	11.2
73.02924	3.4
79.05508	5.5
81.03425	59.6
81.03913	2.8
81.07045	7.3
83.04981	10.7
83.07498	2.2
83.08607	2.8
85.02908	60.2
87.00836	22.2
91.05473	5.2
93.07038	3.3
95.04968	5.4
95.08588	3.5
97.02892	17.8
99.04462	21.0
103.03941	4.6
105.01865	8.0
105.07063	5.7
107.08601	5.1
109.02883	44.1
109.10155	3.4
111.00801	3.3
111.04466	12.8
113.02359	2.5
119.08581	2.3
123.04478	4.1
125.02404	3.4
127.03928	100.0
127.11236	3.6
129.01848	4.1
133.10072	2.3
135.04384	2.9
137.05920	2.5
145.04958	4.7
145.10170	2.3
151.03903	3.1
159.29918	2.3
163.03952	2.8
169.04985	7.0
171.02933	6.2
175.07472	3.0
187.06036	5.7
189.03949	7.7
213.03949	13.0
229.12201	3.2
230.17722	3.4
231.04953	10.7
231.13850	4.5
255.05028	3.1
273.06064	5.3
291.44705	2.0
339.07178	2.9
354.43155	2.6
443.08060	3.0
461.09253	14.2
479.28809	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62560	4.9
60.31929	5.0
62.95371	4.9
63.75781	5.9
66.56656	5.1
70.14789	18.4
74.65263	5.0
94.93023	73.2
96.92869	6.5
112.89623	7.0
136.94029	100.0
148.94025	22.0
166.95110	30.8
169.17039	5.0
172.35452	5.8
176.93509	32.2
196.96182	16.6
202.89035	10.3
212.27789	5.4
244.90173	15.1
248.89650	10.2
250.93564	22.4
256.98242	21.2
264.95190	7.9
282.96234	17.5
285.33087	7.4
344.85684	8.0
381.07993	92.4
419.03616	59.6
452.42639	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	478.366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.0
56.05038	1.5
57.07065	0.8
58.06588	0.9
59.07369	0.3
60.08170	15.5
67.05489	1.1
69.07061	0.6
70.06610	0.4
71.04980	0.5
71.07378	7.7
71.08614	0.4
71.51341	0.4
71.51756	0.5
79.05492	0.6
81.07058	1.8
83.08632	0.6
85.02928	0.4
86.09712	56.2
91.05479	0.6
92.65847	0.3
93.07031	0.9
95.05037	0.3
95.08598	1.3
98.98474	6.8
104.10751	100.0
105.11086	0.8
107.08601	0.4
109.10165	0.4
116.50239	0.3
117.07037	0.4
119.08555	0.3
121.10134	0.4
125.00014	32.6
127.11240	0.9
131.08594	0.4
145.10149	0.5
148.48497	0.3
159.08206	0.4
161.06015	0.4
163.01563	1.8
184.07352	70.3
185.07837	0.5
229.12321	0.4
231.13879	0.5
267.09286	0.5
315.11053	0.4
317.18103	0.4
367.32666	0.4
419.25610	0.8
460.35565	2.2
478.37271	21.4
479.28406	1.1
479.37534	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2932
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03930	0.5
55.05516	11.5
56.15699	0.4
57.03196	0.6
57.03438	7.6
57.07066	2.0
58.14414	0.5
65.03929	0.6
67.05508	25.0
69.06693	0.7
69.07067	13.7
70.50261	0.4
71.04980	0.9
71.08627	0.9
78.35149	0.4
79.05498	8.2
81.07059	26.7
81.95332	0.4
83.04972	0.9
83.08621	8.0
91.05481	4.1
92.23917	0.4
93.07053	7.1
95.08612	18.5
97.06504	1.4
97.10147	3.8
98.06038	0.7
98.98475	0.6
103.58259	0.4
105.07040	3.0
107.08605	4.3
109.10155	7.8
111.08069	0.9
111.11716	0.7
113.05854	0.5
119.08614	2.2
121.10150	3.2
123.11727	3.0
124.01608	0.8
125.09610	0.5
133.10118	1.5
135.11691	1.0
137.13222	1.3
147.11656	2.0
149.13272	0.9
154.11177	0.5
161.13315	0.6
163.14851	0.7
175.14778	0.7
193.44238	0.4
198.05383	0.8
216.06277	0.5
245.22743	0.7
263.23737	1.2
274.10648	0.4
306.27911	5.0
337.27371	100.0
338.27734	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2932
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05277	0.8
55.05519	12.3
57.03447	4.2
57.07073	1.6
62.06096	32.1
65.03938	1.1
67.05513	26.3
69.06725	1.2
69.07072	12.1
70.81276	1.5
70.81624	1.0
71.04996	1.3
73.91931	0.7
79.05498	8.7
81.06593	1.4
81.07065	26.8
83.04978	0.7
83.08628	6.4
91.05487	5.4
93.07051	9.5
93.75045	0.6
95.08618	20.2
97.06531	2.5
97.10166	3.3
98.06067	1.9
98.98473	8.9
99.08115	0.9
105.07051	4.1
107.08603	4.7
109.10176	8.3
119.08583	3.1
121.10163	3.3
123.11742	2.1
124.01591	1.7
127.11154	0.8
133.10132	2.2
135.11720	1.7
137.13261	1.2
142.02649	1.7
145.10191	1.1
147.11682	1.5
149.13260	1.2
151.14786	1.0
155.01068	5.6
161.09808	0.7
161.13263	1.2
163.14886	1.3
173.02138	1.6
175.14847	1.3
177.16463	0.8
189.09158	0.8
191.07164	0.7
198.05251	2.8
206.37637	0.6
216.06357	3.4
245.22762	2.1
263.23703	5.6
271.44446	0.6
306.27963	15.8
307.28339	1.1
319.26364	1.1
332.85056	0.9
337.27393	100.0
338.27771	2.7
364.76520	0.7
460.28104	2.9
478.28732	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02146	1.5
50.21418	1.7
53.03944	4.4
55.01878	2.0
57.03436	1.9
68.99814	2.0
69.03452	13.4
69.73547	1.8
70.06592	3.7
70.78076	2.7
70.78408	3.5
71.04990	3.6
73.02915	4.0
79.05493	3.0
81.03429	13.9
85.02914	32.7
86.09699	4.1
87.00839	14.1
95.04964	2.9
97.02908	15.9
99.04456	7.0
103.05467	5.1
105.01868	7.2
105.07041	2.6
107.04963	27.7
108.04472	5.6
109.02882	10.1
117.01930	2.1
121.06549	2.6
123.26611	1.6
126.05495	2.0
127.03944	21.2
135.08041	9.1
145.05016	8.6
154.06290	2.3
158.06134	2.8
159.02896	7.5
163.07561	21.7
167.07054	66.2
181.08578	2.8
194.09656	2.2
195.10182	22.2
197.93265	1.7
213.11230	100.0
231.05006	2.4
234.08006	1.5
237.11162	2.8
263.14075	2.1
303.12216	4.9
321.13373	7.5
365.13495	4.6
427.54388	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.3
55.01864	8.5
55.05505	4.4
57.03427	6.8
58.94209	2.1
59.56232	2.0
61.02924	5.0
67.05497	6.8
68.99812	2.3
69.03436	34.2
69.07050	6.1
70.06622	2.6
70.74638	7.0
71.04969	5.1
73.02906	6.8
79.05494	7.2
81.03423	34.3
81.07054	18.6
83.04976	4.4
83.08616	3.2
85.02914	100.0
85.06554	51.0
85.07053	1.6
86.06095	2.6
87.00842	42.1
90.29142	2.6
91.05475	5.1
93.07054	23.1
95.04989	4.1
95.08615	5.1
97.02902	38.9
97.06559	18.1
99.04471	14.7
101.91335	3.1
102.65319	2.6
102.85169	2.4
105.01873	49.6
105.07038	5.6
107.08591	16.9
109.02895	30.1
109.06538	3.3
109.10196	5.1
111.04441	2.7
119.08588	6.7
121.06488	3.5
121.10149	21.6
126.05494	2.7
127.03930	76.6
129.01837	3.5
131.08563	2.8
133.10098	3.5
135.11697	18.4
143.08565	3.3
145.04979	32.8
147.11610	2.8
149.13260	12.2
153.12724	10.7
159.02901	15.0
159.11716	5.0
167.14337	5.5
172.58893	2.3
177.12793	14.1
189.03885	2.8
195.13831	47.8
204.10294	2.5
213.03998	3.2
213.14853	36.2
231.05052	20.2
231.13602	3.0
243.86732	2.8
301.15729	2.3
479.18619	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	478.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.05515	5.6
59.64496	0.5
66.14678	0.4
67.05500	0.7
68.05013	0.9
69.03431	2.8
69.07062	0.5
69.53446	0.6
70.06594	20.5
71.50849	0.7
79.05494	0.5
80.05015	0.6
81.03425	2.3
81.07064	0.7
82.06582	21.9
83.04990	5.6
83.07364	1.1
84.08150	6.6
85.02927	2.9
87.00844	1.3
91.05482	2.0
93.07088	0.7
95.04971	0.6
95.08607	0.6
99.04448	0.6
100.07623	61.9
102.06971	0.5
105.07029	1.1
105.07732	0.5
109.02887	2.1
111.04466	0.8
114.05538	0.6
116.07078	0.7
119.08599	1.5
120.41808	0.5
127.03943	3.6
128.07086	100.0
129.07243	0.6
131.08591	0.8
133.62367	0.5
134.37668	0.5
137.05978	0.6
143.08525	0.6
145.10110	0.6
173.09734	0.5
180.01485	0.4
332.18561	2.7
350.19556	1.3
371.92816	0.5
378.19092	2.0
400.58105	0.6
411.63058	0.5
432.23843	31.1
433.24493	0.9
478.24405	54.3
479.24884	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01877	1.1
55.05317	0.9
55.05516	10.0
56.95955	0.9
57.03435	3.5
62.06096	33.4
67.05512	31.3
69.06744	0.8
69.07079	9.3
69.82188	3.6
69.82606	1.6
71.05009	1.3
79.05498	21.5
81.06594	1.3
81.07064	25.7
83.08133	0.7
83.08612	2.8
84.94863	0.7
88.33185	0.9
91.05480	10.4
93.07051	22.3
93.76572	0.9
95.04964	1.7
95.08614	20.0
97.06512	1.7
97.10183	1.5
98.06049	1.9
98.98471	12.7
104.05583	0.9
105.07037	9.1
107.08591	9.5
109.10153	7.5
111.08058	1.0
117.07024	1.9
119.08578	6.8
121.10140	8.0
123.11699	2.4
124.01596	1.7
124.42931	0.8
131.08603	4.1
133.10121	4.6
135.11696	5.3
142.02664	1.9
145.10143	2.2
147.11688	2.1
149.13271	2.3
155.01064	2.9
159.11708	2.8
161.13210	2.5
173.02118	2.6
173.13290	1.7
175.14864	1.8
177.16483	1.2
198.05270	1.5
216.06319	3.7
243.21097	1.6
261.22144	7.5
304.23010	1.3
304.26346	15.7
317.24976	1.7
335.25818	100.0
336.26169	3.0
356.66116	1.0
415.22617	1.3
458.26675	3.9
476.27173	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	476.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
55.15569	1.9
57.03441	12.9
59.05014	3.4
63.14350	1.9
67.05500	2.7
69.03093	3.6
69.03436	47.9
69.07043	2.4
69.69933	1.9
70.06580	7.1
71.50044	3.6
72.08143	4.0
74.09703	3.2
79.05470	2.0
81.03403	6.1
81.07024	2.9
83.04964	1.9
84.04504	4.6
85.02911	34.2
85.06527	2.0
86.09692	3.6
87.00842	2.3
87.04476	30.5
91.05467	9.3
93.07082	3.2
95.08618	4.7
97.02902	37.0
99.04431	3.4
103.05441	2.5
105.01904	2.5
105.07014	7.7
107.08581	3.7
115.03943	46.4
115.05344	2.5
119.04972	16.0
119.08528	2.3
123.04418	2.8
123.08047	2.6
127.03901	5.7
130.59897	1.8
133.04031	3.0
133.04980	43.1
133.06453	4.4
136.07571	3.0
137.05936	4.1
145.04964	3.6
147.04424	100.0
150.07588	13.3
161.05969	7.2
165.05493	43.1
165.06812	1.7
179.04694	2.3
179.12813	3.1
189.05501	7.4
191.14323	2.7
192.14638	3.2
193.08672	3.4
207.06544	6.6
210.15602	2.6
228.16766	3.2
242.74660	2.5
279.08618	3.2
315.40808	2.0
331.81577	2.6
504.02228	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	476.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
55.15569	1.9
57.03441	12.9
59.05014	3.4
63.14350	1.9
67.05500	2.7
69.03093	3.6
69.03436	47.9
69.07043	2.4
69.69933	1.9
70.06580	7.1
71.50044	3.6
72.08143	4.0
74.09703	3.2
79.05470	2.0
81.03403	6.1
81.07024	2.9
83.04964	1.9
84.04504	4.6
85.02911	34.2
85.06527	2.0
86.09692	3.6
87.00842	2.3
87.04476	30.5
91.05467	9.3
93.07082	3.2
95.08618	4.7
97.02902	37.0
99.04431	3.4
103.05441	2.5
105.01904	2.5
105.07014	7.7
107.08581	3.7
115.03943	46.4
115.05344	2.5
119.04972	16.0
119.08528	2.3
123.04418	2.8
123.08047	2.6
127.03901	5.7
130.59897	1.8
133.04031	3.0
133.04980	43.1
133.06453	4.4
136.07571	3.0
137.05936	4.1
145.04964	3.6
147.04424	100.0
150.07588	13.3
161.05969	7.2
165.05493	43.1
165.06812	1.7
179.04694	2.3
179.12813	3.1
189.05501	7.4
191.14323	2.7
192.14638	3.2
193.08672	3.4
207.06544	6.6
210.15602	2.6
228.16766	3.2
242.74660	2.5
279.08618	3.2
315.40808	2.0
331.81577	2.6
504.02228	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	476.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.05267	0.6
55.05515	8.5
57.03201	0.6
57.03444	7.2
57.07076	0.8
62.06079	0.4
65.03934	1.4
67.05510	32.2
69.03419	0.6
69.07072	7.3
69.07428	0.8
70.95867	0.9
71.04988	1.1
73.36655	0.4
79.05499	16.0
81.07063	25.9
83.04983	0.4
83.08634	3.1
85.06554	0.6
88.64604	0.4
91.05484	7.7
93.07053	17.7
95.04968	1.6
95.08614	19.6
97.06527	1.4
97.10161	1.2
98.98460	0.7
105.07034	5.1
107.08600	6.9
109.06522	0.4
109.10164	7.3
111.08137	0.4
117.07026	1.3
119.08610	3.0
121.10152	5.4
123.08051	0.5
123.11710	1.6
124.01617	0.5
131.08574	2.5
133.10144	1.9
135.08034	0.4
135.11676	3.1
137.09627	0.6
137.13239	0.5
145.10141	1.5
147.11662	0.9
149.13268	2.0
159.11732	0.7
161.13225	0.8
173.13275	0.5
175.14815	0.4
198.05283	0.5
209.65257	0.4
216.06291	1.2
261.22220	1.0
304.26355	3.8
335.25821	100.0
336.26172	2.7
355.39972	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2697
Annotation	Diterpenoid EF-D
Peak:m/z	Relative Intensity
53.03935	6.2
55.01864	7.1
55.05516	30.2
57.07082	4.6
59.58812	3.0
65.01760	2.9
67.05517	41.9
69.03434	10.0
69.07084	16.1
70.74667	9.3
71.05002	41.0
79.05503	35.9
81.03427	38.6
81.07061	32.5
83.04991	7.6
83.08626	12.9
91.05495	29.5
93.07050	33.5
95.04450	3.0
95.04958	19.4
95.08617	29.1
97.06523	8.1
97.10185	19.4
105.07056	24.6
107.04975	12.1
107.08609	26.9
109.06523	5.0
109.10153	22.0
111.08061	7.7
116.92503	3.5
117.07021	8.9
119.08588	26.8
121.06477	15.4
121.10158	12.4
123.08072	12.3
124.39753	3.1
125.09654	9.5
127.11208	90.7
128.06262	4.6
129.07010	8.6
130.07742	5.1
131.08577	13.9
133.06480	6.5
133.10139	12.1
135.08069	9.0
135.11682	21.7
137.06033	3.9
143.08565	13.4
145.06502	10.0
145.10129	25.2
147.08076	10.8
147.11661	7.7
149.09621	7.8
151.07539	6.2
157.10138	13.8
159.08083	5.9
159.11736	4.7
161.06010	19.3
161.09578	6.5
163.07567	11.8
163.11188	24.4
166.08023	3.6
169.10152	6.4
170.59195	3.2
171.08078	6.5
171.11615	4.0
173.06053	5.2
173.09619	12.2
175.07600	26.6
175.11203	5.8
177.05437	6.7
177.09094	7.1
181.12357	5.3
183.08080	3.7
185.09607	10.0
185.13449	3.6
187.07542	13.0
187.11140	6.4
188.08372	3.4
189.09097	16.0
191.06987	3.9
191.10681	5.7
193.10326	3.8
193.12248	13.3
197.09630	3.4
199.07523	6.0
199.11188	5.4
201.09113	23.5
203.07018	5.1
203.10751	9.0
205.08408	4.0
211.07591	7.0
211.11246	5.6
212.08255	5.0
213.09145	9.5
213.12782	3.9
214.09741	4.2
215.10678	33.8
217.08591	6.1
225.09109	9.9
225.12831	3.3
227.10677	13.9
227.12798	39.9
229.08728	6.1
229.12256	8.9
231.13803	4.3
233.15256	3.4
239.10681	6.1
241.12251	4.5
243.10155	16.2
243.13879	4.2
253.12250	4.2
255.13557	4.5
267.10864	4.0
267.13651	7.0
271.13419	3.7
271.16895	6.3
277.12244	4.0
287.16446	43.8
299.16397	6.7
301.18005	24.5
303.15891	6.1
313.17932	10.2
317.17410	16.5
327.19623	5.0
329.17621	4.5
331.18854	4.0
333.17014	7.3
341.17349	6.9
355.19019	36.0
369.24234	6.8
373.20215	37.2
377.19727	8.8
379.22708	7.2
387.25488	4.5
393.24066	6.8
397.23810	43.8
411.25320	16.2
415.24689	13.4
419.20667	5.5
421.23712	13.7
429.26300	11.4
439.24637	12.9
447.27338	7.0
457.26041	22.6
475.16254	11.6
475.26871	100.0
476.27112	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01869	0.7
55.19508	0.3
57.03434	0.6
61.02929	0.7
65.03942	3.4
68.99770	0.6
69.03432	4.0
69.82372	1.4
71.05009	0.4
73.02934	0.3
81.03419	2.6
85.02909	8.3
87.00833	2.7
88.09389	0.3
91.05485	100.0
91.15787	0.3
92.05019	0.3
92.05812	0.6
97.02894	1.6
99.04461	0.9
101.02325	0.3
101.36622	0.3
103.03900	0.3
103.05497	0.6
105.01856	1.4
109.02872	2.5
118.06534	0.3
118.60485	0.3
120.04467	3.5
125.09627	0.3
127.03920	4.2
129.01855	0.8
129.06964	0.3
131.04959	0.4
132.04471	2.1
133.05238	0.8
134.06056	0.8
145.04979	0.7
146.02362	0.5
146.06036	0.5
147.02960	0.5
148.03888	0.5
150.05577	0.5
159.02919	0.5
162.05489	1.6
172.07523	0.3
174.05562	0.6
179.05872	0.5
180.06700	0.4
182.06015	0.5
186.05504	0.4
200.07056	0.4
204.06822	0.3
206.09752	0.9
210.05513	2.2
210.09102	1.4
211.05441	0.3
222.09140	0.3
224.10794	0.3
227.05846	0.4
228.06772	2.3
228.10190	14.5
229.10619	0.4
231.04967	0.6
234.09203	1.0
246.07559	0.3
252.10144	2.3
270.11237	2.0
274.12500	0.4
300.10260	1.1
318.11166	1.2
332.07889	0.5
336.12296	0.6
349.07733	0.3
350.08636	0.5
354.13324	0.4
367.09045	1.1
422.12411	0.6
433.79721	0.3
440.13275	1.9
453.43597	0.3
458.14423	0.5
496.60434	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.7
55.01868	5.6
55.05515	11.9
56.06414	1.4
57.03436	6.8
59.05003	2.8
65.03938	3.0
67.05186	2.3
67.05513	34.6
69.03426	4.6
69.06778	1.5
69.07076	14.7
69.80647	1.7
69.83437	6.9
71.04978	6.8
79.05499	28.4
81.03413	2.2
81.07064	100.0
82.06637	1.7
83.04999	8.3
83.08620	8.4
85.02891	2.1
85.06548	5.3
87.04466	7.7
91.05486	38.4
93.07047	19.3
95.04955	4.7
95.08616	19.3
96.77861	1.4
97.02893	5.5
97.06531	10.5
105.07041	49.3
107.04982	2.4
107.08611	18.2
109.06535	8.0
111.04429	2.1
111.08083	3.5
115.03944	20.6
117.07016	2.1
119.08598	39.0
121.10153	27.7
123.08072	5.4
123.11710	20.9
125.09669	1.4
125.48544	1.6
127.07564	1.5
129.06999	3.2
131.08589	4.5
132.35121	1.4
133.04965	2.3
133.10132	4.8
135.07961	1.7
135.11676	2.0
136.03909	1.6
137.13261	5.6
140.01711	1.5
141.05527	1.6
141.07019	1.6
145.10101	2.9
147.11702	97.7
149.09579	1.4
157.10181	8.7
165.12766	72.9
169.04961	1.6
175.07497	2.6
175.11224	11.2
183.13840	8.8
187.06021	1.8
193.12242	17.5
197.09543	1.6
211.13300	4.3
229.14375	29.1
231.13910	4.6
233.15372	3.0
243.04492	2.8
259.16354	1.5
261.14920	2.5
263.11115	4.9
279.16019	9.1
297.16968	50.6
307.15469	2.2
325.16486	90.1
377.19986	2.7
411.20169	2.6
457.20081	2.3
475.08841	1.7
475.27213	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32089	1.9
53.03951	3.2
55.01852	3.4
55.05511	7.6
57.03431	4.4
57.07072	2.4
59.04996	2.1
67.05513	9.1
69.03423	17.8
69.07067	8.6
71.05006	3.8
71.29731	2.6
79.05489	10.4
81.03406	10.2
81.07058	23.6
83.04971	6.4
83.08624	3.6
85.02914	21.2
85.06544	12.4
87.00834	8.7
88.49245	1.7
91.05476	5.6
91.49833	2.1
93.07043	29.3
95.04956	2.9
95.08611	24.1
97.02888	2.3
97.06527	12.3
99.04463	6.4
99.08131	4.6
105.01903	2.2
105.07027	21.3
107.08603	68.5
107.09313	4.3
109.02888	6.3
109.06529	10.6
109.10155	19.1
111.08104	5.7
119.08565	11.9
121.06538	7.5
121.10152	39.4
123.08072	11.3
125.09602	2.5
127.03880	11.5
130.42183	2.1
131.08572	15.0
133.10144	34.9
135.08031	10.4
135.11703	8.4
137.09659	8.2
139.11145	12.7
145.05002	5.6
145.10036	9.0
147.11710	13.9
149.09575	13.8
149.12196	3.4
149.13271	37.2
151.11186	21.7
158.10939	2.4
159.02933	2.8
161.13277	5.4
163.11189	3.4
163.14832	23.5
167.10699	5.5
167.14406	2.1
173.13257	34.6
179.14307	2.7
185.12961	1.9
191.14320	100.0
196.83368	1.9
209.15375	52.0
227.16440	75.6
367.45148	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
55.05510	4.4
57.03423	3.7
62.42417	1.7
67.05498	7.4
67.13094	1.6
69.03429	12.7
69.07069	6.3
69.45181	6.4
69.45608	7.0
69.78311	1.6
71.04986	4.2
79.05479	5.5
81.03416	9.4
81.07079	11.2
83.04986	1.9
85.02916	23.6
85.06542	3.2
86.09710	4.9
87.00817	11.2
91.05476	6.2
93.07039	11.3
95.04994	3.3
95.08608	6.7
97.02899	12.6
97.06537	100.0
99.04436	6.7
105.01899	8.6
105.07018	7.3
106.57407	2.0
107.08592	26.8
109.02894	11.9
109.06525	17.0
109.10143	7.6
111.08043	4.1
119.08611	5.7
121.10165	15.1
123.08064	3.3
127.03928	15.9
131.08601	5.9
133.10130	11.6
135.08075	5.1
135.11763	2.1
137.05994	10.7
137.09619	3.6
139.11183	2.7
145.04970	3.8
145.10114	3.6
147.11691	5.5
149.09637	2.9
149.13289	13.1
151.11162	7.6
153.09099	2.8
159.02820	2.0
163.14854	5.6
169.12286	11.4
173.13303	9.8
175.07516	4.7
175.56937	2.5
191.14304	27.0
201.12427	4.5
207.13567	2.2
209.15381	22.8
211.13289	2.7
213.03989	2.3
213.89784	1.7
227.16443	18.9
231.05043	2.1
279.77490	1.9
329.86179	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01875	4.1
55.05516	3.2
57.03428	2.7
57.07072	1.4
61.02934	3.0
67.05518	2.9
67.10850	1.3
68.99800	1.7
69.03436	18.0
69.07060	3.1
70.76549	3.0
70.76891	1.7
71.05003	31.4
73.02919	2.9
78.98995	1.3
79.05483	2.2
81.03421	16.4
81.07053	4.5
83.04971	1.6
83.08627	4.4
85.02434	2.3
85.02914	28.3
85.06554	11.4
87.00849	11.5
88.02151	1.3
91.05477	3.7
93.07035	7.1
95.08601	4.4
97.02901	9.3
97.03433	1.3
97.06524	3.4
99.04463	100.0
99.22374	1.4
99.44057	1.3
105.01865	5.6
105.07044	5.5
107.08597	16.6
109.02868	12.4
109.06521	5.2
109.10162	9.2
111.08087	2.3
113.09653	4.1
119.08608	3.5
121.10181	7.5
123.08083	19.2
123.11719	10.0
124.07609	1.5
125.09631	4.9
127.03917	19.9
129.01866	2.6
131.08562	2.2
133.10123	15.2
135.08044	2.3
135.11699	2.2
137.05997	2.1
139.11215	2.8
145.05017	4.1
145.10147	3.3
147.11681	2.0
149.09634	23.1
149.13184	7.6
151.07567	1.8
151.11208	4.2
159.02892	5.5
161.09595	1.5
163.11194	3.1
165.09177	1.7
165.12735	3.0
167.10745	3.1
169.08629	3.9
169.12268	18.4
173.13319	4.8
183.13829	27.7
191.10649	3.3
191.14330	7.2
209.15390	22.4
227.16431	90.5
228.16943	2.1
231.05022	2.5
390.19522	1.4
421.19208	1.5
475.32980	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.05272	0.8
55.05517	10.3
55.08237	0.9
56.05034	0.8
59.04996	1.6
67.05498	1.8
68.05049	0.6
69.03429	1.2
69.07054	1.4
70.06590	1.9
71.04993	1.2
71.08642	5.0
71.10662	1.2
72.08146	2.8
77.11670	0.8
79.05492	1.9
81.07054	2.7
83.04984	15.7
83.07343	1.4
84.08141	0.8
85.02912	1.0
85.03883	0.7
86.06071	31.1
87.04475	1.1
91.05478	2.0
91.25431	0.7
93.07032	1.5
94.06606	0.8
95.08610	1.5
96.08128	7.4
97.02911	0.7
97.06558	0.8
98.06105	1.3
98.09696	17.0
99.08102	1.6
100.07694	0.8
101.06029	12.6
105.07015	0.7
107.08594	0.9
108.08089	1.1
109.06519	1.5
111.04445	26.3
114.09174	0.7
115.03908	1.6
116.10739	47.9
119.08608	2.0
121.08894	1.1
121.10046	0.6
122.09658	1.6
124.07586	0.9
127.04028	0.6
127.07560	0.6
128.50853	0.6
129.05489	8.2
133.91158	0.6
134.09705	0.9
135.08046	0.8
135.10455	0.8
137.09599	0.8
142.08635	11.5
142.12271	3.0
143.10677	8.3
146.09619	0.9
147.06516	1.2
148.11235	1.2
151.07477	0.7
154.08624	0.8
155.07027	3.8
162.12770	0.8
164.10760	7.0
173.07944	0.8
180.13849	1.3
182.15459	4.3
185.11766	0.7
190.12274	6.5
197.08134	1.9
198.14894	1.3
201.64905	0.7
208.13344	8.3
208.17014	1.3
214.18022	11.4
215.09172	6.7
226.14395	23.9
226.17841	6.6
243.08537	1.8
244.15384	6.3
312.18210	1.8
324.21649	2.8
330.19083	5.1
340.17636	1.4
358.18723	6.0
376.19684	100.0
377.20023	2.6
410.25208	1.0
456.25815	3.3
467.90695	0.9
474.15588	1.2
474.27014	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	474.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	15.3
57.06842	6.4
57.07082	93.5
67.05508	19.7
69.07058	16.0
71.51164	8.5
79.05488	14.1
80.16302	5.5
81.07075	33.0
83.08620	8.1
85.06076	8.8
85.06551	100.0
91.05475	9.7
93.07041	15.7
95.08628	37.3
97.06590	8.3
97.10176	11.7
103.07540	8.3
105.07041	14.0
107.08576	15.9
109.10124	19.6
119.08567	17.6
121.10160	18.6
123.11711	8.3
133.10168	13.0
135.11740	14.7
136.45552	5.1
145.10088	10.8
147.11655	13.0
157.40761	6.5
161.13171	10.4
175.14949	7.2
183.13777	5.1
212.88948	5.5
217.19554	13.3
235.20537	22.7
253.21620	21.4
337.27487	70.1
337.53464	5.6
355.29074	6.6
459.38614	5.7
475.34430	8.5
485.96225	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	475.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.4
55.01858	3.2
55.05508	4.7
57.03433	3.9
59.05006	2.6
61.02930	3.6
67.05476	4.0
69.03436	16.1
71.04640	3.9
71.04993	29.0
71.16391	5.3
73.02924	2.9
73.44073	3.0
81.03434	20.2
81.07064	10.2
83.04968	5.3
83.08650	3.6
85.02914	37.6
85.06548	11.5
87.00829	8.4
91.05489	5.7
93.07035	9.1
95.04967	5.6
95.08583	5.8
97.02896	9.9
99.04468	100.0
99.05124	5.5
99.08079	4.8
105.01882	5.5
105.07050	7.7
107.08607	26.4
109.02878	16.1
109.06527	6.1
109.10183	13.5
113.09648	5.4
117.01859	3.3
119.08630	3.7
121.10159	11.8
123.08088	18.2
123.11679	14.9
125.09692	3.0
127.03938	22.7
133.10135	15.4
135.08124	3.5
139.11214	3.0
145.04970	3.7
145.10162	3.7
147.11664	4.1
149.09639	69.3
149.13280	7.7
151.11159	4.1
155.45177	2.5
159.02901	5.4
167.10707	5.4
169.12253	23.6
173.13315	6.0
175.07501	4.0
175.11075	4.3
183.13828	29.2
191.14317	8.6
208.85579	2.9
209.15414	26.6
216.11699	3.3
227.16428	86.9
228.16975	3.8
231.04927	4.8
232.59657	2.7
241.94902	2.9
452.13748	2.9
475.21780	20.2
475.32416	6.6
484.75089	2.7
491.55179	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	474.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.05276	0.8
55.05512	11.1
56.05033	0.7
59.05007	1.1
61.25403	0.6
64.82521	0.6
67.05493	1.7
69.07069	0.9
69.28647	3.7
69.29072	2.4
70.06590	2.0
71.04992	1.8
71.08642	3.8
72.08150	2.1
79.05492	1.1
81.07052	2.7
82.06525	0.9
83.04985	14.2
86.06068	27.6
86.06599	1.3
87.04476	1.0
91.05502	1.0
93.07041	1.4
95.08599	1.1
96.08133	5.5
98.06055	0.9
98.09700	15.4
99.08069	1.9
101.06027	12.3
105.07014	0.7
108.08115	1.3
109.06506	0.9
111.04443	27.2
112.04765	0.8
114.09181	0.9
115.03918	2.0
116.10731	44.4
119.08587	2.7
122.09641	0.8
123.08095	0.9
124.07590	1.5
129.05472	6.5
134.09625	1.7
134.10585	0.7
142.08630	12.2
142.12277	1.9
143.10675	10.2
146.09647	1.1
147.06546	1.9
155.07100	3.2
162.12781	1.0
164.10718	5.8
173.08029	0.8
180.13805	1.7
182.15378	4.2
190.12300	4.6
197.08095	2.3
198.14873	2.1
208.13347	8.7
214.18011	7.9
215.09160	7.2
226.14377	23.0
231.12270	1.0
240.47958	0.8
243.08710	2.1
244.15434	5.4
312.17865	1.3
324.21753	2.2
330.18967	3.6
340.17773	1.6
358.18613	5.5
366.69791	0.8
376.19662	100.0
377.19971	1.8
456.25894	2.6
466.68344	0.7
474.27011	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73339	1.7
53.03951	2.2
55.01867	2.6
55.05507	6.6
57.07073	3.1
58.99595	2.3
59.05023	2.4
66.89524	1.9
67.05499	8.2
68.33752	1.8
69.03437	3.3
69.07083	3.9
70.06606	3.9
70.84344	4.9
71.04988	6.1
71.08630	4.3
79.05497	5.5
81.03436	4.6
81.07056	8.3
83.04980	4.8
83.22211	2.1
85.02900	9.9
85.06557	3.2
86.06032	2.5
86.99082	3.6
87.00844	5.0
91.05479	8.0
93.07034	7.6
95.04990	4.9
95.08604	8.3
97.02880	5.1
97.06538	3.6
105.01876	2.3
105.07021	14.7
107.08618	12.0
109.02913	3.1
109.06524	100.0
109.10165	24.7
111.04433	4.1
111.08070	2.4
116.10745	13.1
117.00114	2.5
117.07028	6.0
119.08595	6.4
121.10118	6.0
123.08083	9.1
127.03938	6.5
129.07016	2.2
131.08571	20.4
133.10161	9.8
135.08064	37.5
142.07843	2.1
143.08589	5.4
144.09348	3.0
145.04863	2.3
145.10133	5.2
147.11751	2.5
149.09683	3.5
149.13232	2.4
153.09138	3.7
155.06969	2.7
157.10167	3.9
158.10834	3.0
159.11720	11.0
171.11676	3.2
173.13295	14.3
175.02533	2.9
183.11731	4.0
185.13341	6.1
191.14317	74.4
196.17006	5.9
209.15382	63.6
213.05832	2.2
214.18033	64.5
217.10452	4.8
231.13850	3.6
263.11090	4.5
281.11938	2.4
474.26892	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	474.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07147	1.3
53.03938	2.4
54.83899	1.2
55.01867	2.3
55.05493	1.5
55.86090	1.2
57.03441	1.6
59.59989	1.1
61.31686	1.3
67.05482	4.7
69.03420	6.3
69.10251	1.3
69.49749	9.7
71.04991	4.8
79.05477	3.5
81.03405	5.8
81.07053	4.6
83.04977	1.6
85.02908	16.2
85.06532	2.9
85.11343	1.3
87.00819	5.7
91.05477	7.8
93.07057	3.1
95.04961	3.1
95.08623	6.4
97.02896	4.6
97.06516	2.1
98.20791	2.7
99.04445	3.5
105.01863	4.3
105.07045	11.0
107.08611	11.7
109.02874	3.1
109.06525	73.1
109.10162	21.1
111.08044	1.6
117.06995	1.7
119.08575	3.9
121.10129	5.1
123.08085	7.4
127.03963	7.1
129.07021	2.0
131.08588	22.3
133.10139	47.6
135.08055	27.7
135.11671	1.8
139.11134	1.5
143.08501	2.5
145.04936	1.8
145.10077	5.0
147.11700	4.3
149.09639	3.7
149.13289	2.7
153.09117	4.9
158.10901	4.0
159.02884	2.0
173.13281	37.4
191.14319	100.0
192.14726	2.4
197.03481	1.4
209.15375	45.1
231.04988	2.1
232.45204	1.3
263.64355	1.4
283.54285	1.4
470.64658	1.5
474.14984	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
62.59940	2.9
67.05498	4.4
68.63447	2.8
69.03418	3.0
69.07060	5.9
69.32680	27.6
71.04987	9.8
72.64967	3.1
79.05505	7.9
79.83981	3.3
81.07046	6.3
85.02892	8.3
85.06549	10.8
85.17948	3.4
91.05470	28.6
93.07029	12.2
94.88282	2.9
95.08624	13.5
97.06546	22.7
98.21530	6.5
105.01888	6.8
105.03273	3.5
105.07018	19.5
107.08610	23.7
109.06512	5.7
109.10130	3.9
111.08105	4.8
116.10716	3.1
119.08569	10.2
121.10159	35.1
127.03957	6.1
131.08546	9.5
133.10138	100.0
135.08064	15.8
145.10130	7.5
147.11708	21.5
149.13263	18.5
158.10907	3.7
163.11166	3.7
168.50905	2.7
173.13261	26.5
191.14320	90.3
214.18056	3.9
240.94444	2.7
292.21307	2.9
331.17276	3.5
406.85986	3.6
431.16861	6.3
474.14478	9.7
475.15500	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	474.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.1
55.01868	3.2
55.05505	1.5
57.03426	2.5
57.07097	1.5
67.05505	5.9
69.03425	5.4
69.07070	2.1
69.30418	4.0
69.30836	7.0
71.04982	5.0
72.83413	1.2
72.94418	1.4
79.05501	5.4
81.03419	5.5
81.07061	3.8
82.89091	1.3
85.02915	13.6
85.06562	2.6
87.00837	5.6
91.05483	8.0
93.07047	4.5
95.04976	6.1
95.08605	6.9
97.02889	6.8
97.06545	3.7
99.04471	3.7
105.01867	4.6
105.07023	14.3
107.08596	11.6
109.02882	4.6
109.06520	74.5
109.10162	15.7
115.27315	1.3
117.07009	2.7
119.08583	7.3
121.06509	1.3
121.10159	5.3
123.08064	9.4
127.03928	8.4
128.01431	1.4
129.07019	1.5
131.08582	21.7
133.10141	54.5
135.08049	32.2
135.11671	1.7
143.08577	1.8
145.04956	3.0
145.10060	6.2
147.11699	4.1
149.09637	3.2
149.13324	2.8
153.09120	3.0
158.10883	3.2
160.18663	1.3
163.14807	1.3
173.13274	35.1
173.14699	2.0
173.81512	1.3
180.06502	1.7
191.14317	100.0
209.15375	43.6
214.17947	1.7
244.12164	1.4
358.43634	1.5
365.13742	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.6
55.01879	7.8
68.26329	4.8
69.03416	21.0
70.85765	12.3
73.02913	6.0
79.05479	10.1
80.38349	5.2
81.03436	10.5
81.07055	14.6
85.02919	26.6
85.06533	11.4
86.09695	9.5
87.00824	9.8
88.67541	6.6
89.69336	5.4
90.65965	5.0
93.07034	19.9
95.08591	6.2
97.02855	11.8
105.07023	32.3
107.08601	76.2
109.02882	10.6
109.06507	17.0
109.10207	13.1
116.17720	4.9
119.08578	26.7
121.06518	15.3
121.10158	25.3
123.08152	7.0
127.03900	20.7
131.08530	14.7
135.08044	6.3
137.09627	45.9
143.08527	6.8
147.08076	6.0
147.11713	31.4
149.09622	39.5
149.13229	10.4
159.11665	12.1
161.13266	29.5
165.12712	5.8
167.10687	89.4
171.11737	10.9
177.12755	61.4
181.12177	4.7
189.12775	76.6
191.82803	5.0
207.13799	90.2
225.14874	100.0
304.41422	5.7
375.90030	5.6
413.42267	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07054	7.3
65.79967	4.1
67.05492	24.5
69.03416	11.6
69.07059	9.3
69.30130	27.0
69.30552	14.0
70.06598	5.4
79.05490	9.8
81.03414	9.7
81.07045	6.2
85.02897	23.0
85.06539	15.2
86.09710	12.9
87.00826	5.8
91.05495	13.6
93.07043	7.9
95.04960	5.4
95.08617	100.0
98.20799	10.3
99.04422	5.7
105.01829	8.0
105.07034	14.8
107.08578	15.6
109.02934	8.4
109.06501	6.9
113.06022	12.1
119.08562	20.9
121.10086	11.1
123.08044	29.8
127.03889	10.8
133.10109	6.7
134.04657	6.2
135.11696	15.3
147.08020	6.2
147.11702	10.5
149.09628	40.2
151.07607	6.9
151.14900	5.3
161.13252	15.3
163.11140	9.2
167.10620	5.4
180.42294	4.7
182.04950	41.8
189.12735	23.1
207.13849	74.6
208.02927	36.6
225.14752	7.0
239.03410	11.7
341.10260	13.4
473.14194	8.2
473.19644	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	473.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96238	1.0
53.03922	1.9
55.01861	1.9
55.05514	16.1
57.03440	46.7
57.07063	3.5
65.03929	2.2
67.05506	58.2
69.07069	13.1
69.85125	3.0
69.85515	2.2
71.08641	1.4
73.17260	1.0
77.03982	1.0
79.05497	16.6
79.72692	1.1
81.07060	55.9
83.04980	3.2
83.08633	9.1
85.06542	1.3
91.05476	11.9
91.68207	1.1
93.07043	18.3
95.04965	1.9
95.08612	44.1
97.06533	3.6
97.10181	3.8
98.98471	100.0
105.07036	10.0
107.08597	7.6
109.10153	16.4
111.08105	2.0
116.99532	1.5
119.08601	6.0
121.10153	6.4
123.11734	6.8
125.00050	1.2
127.11173	1.2
131.08562	1.6
133.10159	6.9
135.11673	6.1
136.99995	70.3
137.13248	2.6
145.10130	2.4
147.11703	5.5
149.13237	3.5
151.14801	1.9
155.01047	81.2
159.11742	1.5
161.13242	3.9
163.14824	2.3
164.27393	1.0
175.14899	1.9
177.16560	1.6
178.02715	1.2
181.02649	1.2
185.13324	1.1
189.16508	1.2
193.02614	13.1
211.03670	34.1
245.22656	6.2
263.23761	6.1
295.98502	1.3
319.26398	2.8
337.23257	2.1
337.27383	42.1
473.26700	60.9
473.32852	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	473.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73981	1.2
53.03934	3.4
54.84138	1.0
55.01867	5.2
55.05511	9.0
57.03425	1.9
59.04986	2.6
65.03949	1.4
67.05496	4.3
69.03434	8.8
69.07055	3.7
70.85361	2.5
70.85712	1.5
71.04994	8.1
71.22569	1.1
71.88410	1.0
77.03934	1.2
79.05493	22.2
81.07063	9.2
82.04192	1.9
83.04966	8.3
85.02905	4.4
85.06559	2.0
87.04476	9.1
91.04971	2.1
91.05480	22.7
93.07047	69.1
95.04977	7.8
95.08622	7.2
95.13168	1.2
95.68179	1.2
97.02872	2.0
97.06522	6.2
99.04480	1.7
103.05492	2.8
105.07034	55.3
107.04952	1.9
107.08598	80.9
108.08905	1.6
109.06506	4.0
109.10171	3.0
111.08057	1.5
113.05992	1.9
115.03931	6.7
115.05464	1.6
117.07008	7.6
119.08581	19.7
121.06505	25.4
121.10148	33.7
123.08063	2.6
127.13287	1.2
129.05504	1.5
129.07024	1.7
130.07780	3.9
131.08597	7.1
131.57367	1.1
133.04982	2.0
133.10130	1.9
135.08058	18.5
135.11682	27.4
141.05405	2.3
143.08562	3.4
145.06398	1.3
145.10127	50.3
147.11684	15.3
149.05971	3.0
149.08582	1.9
149.09631	18.3
149.13261	1.7
155.08417	1.4
157.10046	1.5
159.11681	1.8
160.78445	1.2
161.09642	1.9
163.11185	98.3
171.06660	1.3
172.55077	1.2
173.09624	14.4
181.12270	7.0
185.13219	1.7
187.06003	5.2
187.14838	3.9
190.97844	1.3
191.10674	100.0
192.11067	1.4
201.07562	2.3
201.16473	1.4
209.11687	7.8
223.18010	1.1
227.12816	3.1
236.65437	1.2
260.46500	1.2
277.14404	14.4
295.15475	13.3
305.13736	3.7
323.14893	30.9
324.15359	1.6
341.15973	1.9
355.12399	1.2
429.98871	1.5
454.42438	1.2
455.13086	2.5
473.14090	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	472.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03724	1.4
53.03948	8.2
55.01879	11.3
57.03435	7.2
61.02934	6.5
67.05489	2.4
68.99801	4.5
69.03432	32.3
71.04994	8.0
71.08419	2.1
71.08746	1.4
72.00267	1.3
73.02923	11.8
79.05506	1.9
81.03423	35.9
81.07047	3.0
83.05007	1.6
85.02908	99.8
85.06551	3.2
86.06844	1.6
87.00835	42.1
87.04480	1.9
91.03949	3.4
91.05490	2.0
93.07027	1.7
95.04947	2.9
97.02897	61.6
97.06556	1.5
99.04467	19.7
105.01873	62.9
105.03389	23.2
105.07022	2.2
108.04447	1.5
109.02885	43.4
117.01864	5.0
123.04457	6.4
127.03923	100.0
129.01817	4.6
145.04970	59.7
147.02927	4.4
147.08072	1.6
159.02893	28.7
174.39240	1.3
177.04013	2.5
189.03983	2.1
189.09125	5.5
192.76259	1.4
213.03987	4.7
231.04997	26.0
249.06099	8.0
295.63528	1.5
315.10645	1.9
409.59164	1.5
417.50415	1.4
472.22684	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
55.01874	6.2
55.05518	9.7
56.50139	1.3
57.03436	1.2
59.05005	1.5
61.08689	1.3
65.03918	1.8
67.05497	5.7
69.03425	7.6
69.07069	2.1
71.04994	5.8
79.05498	22.9
81.07065	8.0
82.04205	1.8
83.04984	7.8
85.02898	2.9
87.04482	10.2
91.05488	22.9
93.07051	61.6
95.05008	6.9
95.08610	5.1
97.02863	2.8
97.06535	4.6
99.04482	2.2
103.05450	1.5
105.07035	54.6
106.48521	1.2
107.04939	1.8
107.08604	75.5
109.06532	5.6
109.10168	1.8
113.57375	1.2
115.03925	7.9
117.07024	6.8
119.06144	1.9
119.08596	19.1
121.06514	27.3
121.10150	36.0
123.04419	1.9
123.08075	1.3
129.06996	2.8
130.07796	4.3
131.03442	1.2
131.04892	1.5
131.08603	7.3
133.04994	1.4
133.06538	2.3
133.10182	1.9
135.08049	15.8
135.11690	26.2
141.05490	2.1
143.08554	3.4
145.10138	49.5
147.06404	1.2
147.08061	1.7
147.11717	10.6
149.05988	2.8
149.09642	18.3
155.08578	1.6
161.09589	2.2
163.11192	100.0
171.06587	1.9
173.09622	15.0
181.10173	1.3
181.12276	4.4
183.06491	1.6
187.06023	5.4
187.14833	4.5
191.10686	95.3
191.18036	1.6
209.11757	10.8
215.05376	1.9
220.47729	1.2
227.12817	2.3
231.13849	1.5
277.14389	9.8
295.15509	10.6
299.08832	1.5
305.13974	4.4
323.14981	27.3
409.34409	1.4
455.13177	1.7
473.14319	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	472.164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.2
55.05508	2.5
58.99597	11.0
61.01149	2.7
69.03422	2.0
70.03885	2.5
70.04285	4.9
71.04995	2.0
73.02915	3.3
79.05505	4.5
81.07053	4.7
83.04927	1.9
83.48568	1.5
86.99061	8.6
89.00642	2.1
91.05485	9.4
93.07050	9.4
94.84765	1.6
95.04947	2.2
97.01136	1.7
98.21398	2.1
103.05450	1.6
105.07028	9.8
107.08590	4.6
117.00081	10.8
117.07010	4.6
119.08578	6.2
121.06540	4.5
121.10108	2.5
128.06216	5.3
129.07021	10.2
131.08606	9.2
132.08922	1.6
135.04385	2.1
135.08040	2.1
141.06987	7.2
142.07790	22.1
143.08583	8.8
144.09343	2.2
145.06404	1.9
145.10129	12.5
147.08043	1.8
147.11688	3.6
149.05952	1.8
149.09653	2.4
153.07010	4.7
154.07852	3.9
155.08571	22.0
156.09245	3.0
157.10143	78.9
158.10582	2.0
159.04413	3.7
159.08054	3.9
159.11807	8.8
163.11168	6.7
166.07806	2.6
167.08528	5.2
168.09331	12.6
169.10126	22.7
173.09566	7.8
173.13237	2.9
175.02362	7.8
176.02846	3.1
177.40717	1.7
181.10150	8.7
182.10834	3.2
183.11703	36.5
184.12466	2.5
185.04172	1.6
185.09642	2.1
185.13243	6.9
187.05992	2.6
187.07510	9.9
187.11188	2.4
191.10696	8.8
193.10136	2.9
197.09669	1.8
199.11241	9.5
200.06497	3.2
201.09171	13.3
201.12747	12.4
211.11143	10.4
215.08913	17.4
215.10751	2.7
217.10414	2.3
217.12239	11.5
229.12251	100.0
243.08450	3.2
251.93300	1.8
261.09470	24.3
279.10477	1.9
292.13678	4.3
305.12115	2.7
323.14859	2.1
333.11462	2.1
391.11945	6.3
430.92468	1.8
437.12662	43.4
473.13608	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16122	4.5
53.03938	12.7
55.01860	12.2
55.05520	29.4
57.03437	7.6
57.03717	3.0
57.07062	5.9
59.04974	4.5
61.02929	6.1
67.05516	28.2
68.99781	7.5
69.03434	48.8
69.07082	30.0
69.61256	23.1
71.01326	5.1
71.05007	31.0
73.02921	6.1
79.05500	40.7
81.03422	40.5
81.07057	63.3
83.04975	15.8
83.08632	7.1
85.02911	49.7
85.06561	4.1
87.00841	23.7
89.03941	4.2
91.05486	31.8
93.07050	49.6
95.04977	20.5
95.08620	30.2
97.02892	14.4
97.06531	85.5
99.04461	8.3
103.03937	9.2
104.01587	3.5
105.01865	8.0
105.07034	63.7
107.04940	7.9
107.07894	4.9
107.08592	41.9
109.02899	21.9
109.06515	15.2
109.10165	49.1
111.04424	7.7
115.03921	5.6
117.03400	5.4
117.07019	12.9
119.08581	59.5
121.06516	13.9
121.10165	41.7
123.04396	7.0
123.08049	7.2
123.11716	14.0
124.92599	3.3
125.09604	4.4
127.03878	25.5
127.11189	19.3
128.06232	3.8
129.01866	3.6
129.06967	6.9
131.04843	3.5
131.08585	24.4
132.98499	3.4
133.02907	5.3
133.10141	52.0
135.04416	9.5
135.08049	9.5
135.11696	27.8
137.05957	4.7
137.09660	4.6
139.11151	3.3
142.07823	5.0
143.08589	18.7
144.09335	6.3
145.02867	6.1
145.04848	4.8
145.10143	33.0
147.02850	5.4
147.08063	38.2
147.11725	27.0
149.09615	5.0
149.13242	5.9
151.11192	4.5
153.12698	12.0
155.08534	10.6
157.10136	18.2
159.02896	7.9
159.08014	6.5
159.11705	38.6
161.02374	17.8
161.09612	12.7
161.13277	53.7
163.03923	64.5
163.07547	6.2
165.09140	6.5
169.10107	9.5
171.08055	5.4
171.11673	16.6
173.02353	49.8
173.13258	9.7
175.11258	8.7
175.14830	16.6
177.12769	4.8
177.16362	5.1
181.10110	5.4
182.10791	4.4
183.11679	10.6
185.09615	4.5
185.13266	15.1
187.11201	4.7
187.14845	7.4
189.03975	4.3
189.12720	6.3
189.16376	7.4
191.14307	4.1
192.09293	3.7
195.11629	4.9
195.17415	3.6
197.13249	5.6
201.12737	6.5
201.16409	11.1
203.14342	43.1
203.17990	17.0
207.11720	7.2
215.07036	73.6
215.17998	7.9
217.15717	4.4
219.17403	4.7
221.15349	25.8
221.18980	7.0
225.12735	13.5
225.16299	4.4
227.18015	3.8
233.29707	3.7
237.18440	3.8
243.13974	4.9
243.17499	4.3
245.18942	11.9
259.09695	100.0
260.09927	6.1
277.10770	83.2
311.20108	11.1
329.21036	7.0
389.23309	3.7
433.22183	12.0
451.23343	10.7
469.24469	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	471.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08642	1.5
52.70853	1.1
52.90285	1.3
53.03945	4.4
55.01879	3.0
55.05502	4.8
56.05034	2.5
57.03431	4.6
61.02916	4.1
67.05501	4.4
69.03432	31.3
69.40078	1.3
70.06586	2.9
71.05019	1.4
71.50092	2.1
72.08172	1.5
72.83173	1.1
73.02940	2.6
74.06068	4.3
79.05497	4.2
81.03424	10.1
81.07059	4.8
83.01344	1.8
83.04984	4.5
85.02908	38.6
85.06544	5.6
87.00844	1.9
91.05499	1.7
93.07036	2.9
95.04985	4.3
95.08598	7.9
97.02895	14.0
97.06532	2.1
99.04464	3.4
103.05476	1.3
105.07046	6.5
107.08580	7.0
109.02885	8.8
109.06509	2.5
109.10164	1.4
110.74157	1.2
117.07022	1.8
119.08604	2.2
121.06532	9.2
121.10099	1.7
123.08080	5.0
125.09631	13.4
127.03919	11.0
133.06461	3.0
135.08064	2.1
137.05978	14.0
145.04959	3.5
145.06519	1.3
145.10132	4.2
149.05960	3.5
149.09622	1.5
151.07550	60.3
153.05515	1.5
157.10132	2.0
158.49730	1.2
159.02975	1.3
161.06020	3.4
161.09637	1.5
163.03928	1.4
163.07539	7.3
163.11172	1.5
167.07083	1.2
173.09662	3.0
175.07545	19.7
176.08304	3.6
177.04027	2.4
177.05470	19.6
177.09091	8.6
181.10187	1.5
189.09116	8.4
191.10678	100.0
206.05724	4.2
206.43645	1.3
223.06024	70.9
224.06398	1.6
231.13795	20.8
249.14893	4.8
313.12732	3.3
345.11841	1.3
353.17941	2.1
371.18781	2.3
385.11139	5.0
471.11316	3.3
471.17935	1.6
471.24100	6.7
472.25494	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.8
55.05516	17.3
55.65559	2.2
57.03421	2.3
57.07076	13.1
65.03944	2.9
67.05508	31.2
67.29607	2.2
69.07064	13.9
71.52346	2.9
78.14214	2.1
79.05495	38.6
80.34537	2.8
80.68640	2.0
81.07059	49.6
83.08626	6.2
91.05492	37.5
93.07056	34.8
95.04976	2.6
95.08615	35.6
97.06535	2.8
100.62830	2.8
105.07035	58.4
107.08589	33.2
109.10160	15.8
115.05502	3.8
117.07008	19.2
119.08588	86.6
121.10188	12.6
123.08081	2.8
123.11744	4.1
128.06213	4.1
129.06990	14.1
130.07832	3.1
131.08575	46.4
133.10133	38.2
135.11710	8.5
141.07025	10.3
142.07785	4.8
143.08583	23.9
144.09442	2.1
145.10136	41.6
147.11697	31.6
149.13237	5.8
155.08583	17.8
156.09322	3.4
157.10129	26.5
159.11714	30.0
161.13275	16.2
169.10133	18.8
171.11710	21.7
173.13287	27.1
175.14848	5.5
181.10199	2.9
183.11748	16.7
185.13264	16.4
187.14870	14.8
195.11705	3.9
197.13290	18.3
199.14845	14.0
201.16386	3.0
209.13141	2.3
211.14848	15.1
213.16356	3.8
225.16386	8.3
227.18123	4.1
239.17940	6.6
267.20987	18.2
285.22018	3.0
322.40594	2.7
327.23065	3.1
340.72891	2.3
351.30267	2.7
379.30032	19.0
397.31021	19.5
459.84256	2.7
471.24704	5.8
471.34741	100.0
472.35245	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	469.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64599	6.7
53.03954	11.3
55.01861	21.3
55.05499	29.0
57.03430	10.1
57.07058	6.7
60.43042	6.3
61.02922	11.1
65.01814	6.1
67.05511	42.2
69.03439	56.2
69.07063	41.2
69.36054	57.2
71.05003	47.1
79.05477	24.7
81.03418	49.7
81.06652	9.6
81.07066	100.0
83.04965	19.9
83.08603	13.4
85.02909	58.9
87.00835	38.8
91.05489	31.8
93.07063	75.6
95.04973	24.3
95.08607	82.2
97.02896	31.2
97.06519	41.7
97.10179	11.1
99.04448	11.9
101.37650	6.8
103.03928	11.6
105.01856	9.4
105.07041	89.8
107.04982	9.9
107.08604	83.1
109.02892	16.1
109.06522	16.3
109.10157	85.5
111.04450	9.9
115.03915	21.3
116.09160	6.3
117.07010	18.2
119.08587	84.6
121.06496	17.8
121.10136	56.8
123.04448	8.9
123.08060	16.1
123.11732	43.3
125.09621	12.2
127.03894	26.4
127.11195	28.8
128.06282	8.2
128.75797	7.1
129.01805	18.4
129.07037	8.6
131.08557	29.4
133.10149	54.0
135.04355	14.4
135.11714	42.9
137.09622	16.0
137.13257	18.7
142.07780	8.5
143.08562	20.6
145.10123	46.9
147.08009	11.5
147.11708	45.8
149.13246	29.4
151.11156	8.1
153.12749	11.4
155.08549	17.3
157.10155	32.7
159.02843	13.1
159.11703	60.1
161.09639	11.8
161.13249	23.5
163.03870	41.9
163.11180	16.1
165.12697	12.2
167.08678	7.8
169.10126	21.1
171.11713	20.8
173.02417	33.3
173.09645	13.6
173.13255	24.0
175.11182	17.4
175.14842	13.8
183.11713	12.8
185.09706	6.7
185.13203	12.4
187.14771	11.4
189.09048	11.5
189.16373	22.2
191.14241	9.4
197.13379	9.1
201.12688	13.8
201.16438	21.4
203.17955	30.4
207.10114	8.6
209.13205	7.3
213.16425	9.3
215.07042	26.0
219.17484	21.4
221.19069	16.9
225.12700	21.4
225.16399	8.2
227.17938	7.1
233.18871	7.8
245.19012	17.6
259.09677	45.0
263.19977	10.9
277.10712	27.3
287.19888	10.8
311.19913	32.1
329.20969	20.3
433.22437	13.0
451.23169	22.6
469.24268	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79917	4.4
51.97854	4.2
53.03939	13.9
53.33253	4.7
53.89625	4.3
55.01867	15.1
55.05503	21.4
57.03422	6.6
61.02927	5.8
67.05520	33.1
68.99796	7.2
69.03437	43.2
69.07072	26.9
69.34574	13.8
69.34992	23.3
71.01354	4.1
71.05000	26.2
71.99909	5.0
73.02925	5.1
77.97417	4.7
79.05499	27.7
81.03432	26.0
81.07067	58.9
83.04967	15.9
83.08612	6.0
84.31940	4.4
85.02911	56.0
85.06551	5.2
87.00832	22.1
91.05469	27.3
93.07058	47.8
95.04968	19.8
95.08622	36.7
97.02876	14.7
97.06541	84.3
98.20699	9.1
99.04440	6.3
105.01863	10.1
105.07036	52.8
107.04937	6.1
107.08605	49.8
109.02882	9.5
109.06508	10.1
109.10184	33.5
111.04476	7.1
111.08106	6.5
115.03932	7.6
117.03350	7.3
117.07026	16.6
118.42770	4.6
119.08591	61.2
120.59788	5.0
121.06491	5.5
121.10149	33.0
122.33872	5.0
123.04493	7.6
123.08057	8.8
123.11710	11.4
125.09669	7.2
127.03968	23.9
127.11195	17.6
129.01791	5.8
129.07004	6.8
131.08568	19.0
133.10143	55.8
135.04449	9.9
135.08034	6.4
135.11700	16.5
137.05940	5.2
137.09584	7.0
139.07568	5.4
141.06987	5.6
142.07780	9.3
143.08580	13.6
145.02834	6.7
145.10138	35.9
147.02884	10.4
147.08060	15.0
147.11673	21.6
149.09636	5.2
149.13275	13.8
151.11237	9.7
153.12750	8.0
155.08604	11.2
157.10124	16.0
159.04314	6.6
159.11699	37.8
161.02347	21.8
161.09642	13.8
161.13295	25.2
163.03923	57.8
165.09149	5.5
167.08665	4.4
169.06557	6.3
169.10193	5.5
171.08102	5.6
171.11668	15.7
173.02379	48.3
173.13228	10.1
175.11118	5.2
175.14824	18.2
177.12711	9.4
183.11702	11.5
185.13287	12.3
187.07593	5.3
187.14929	8.6
189.12663	7.3
189.16425	20.0
191.14368	5.0
195.11668	6.9
199.14720	5.2
201.12781	8.0
201.16380	18.0
203.14305	17.1
203.18004	18.3
213.16412	7.1
215.07047	64.0
215.18048	5.6
219.17480	7.5
221.15396	23.1
231.17372	5.2
241.15822	5.3
245.18898	7.9
253.22681	4.8
257.19089	9.6
259.09650	100.0
260.09976	10.6
274.20859	5.1
277.10696	63.0
287.20319	5.7
305.21140	5.7
311.19965	17.2
329.21005	12.2
433.16046	5.4
433.22104	10.7
439.19183	5.0
469.24292	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	469.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.6
55.01881	8.2
55.05515	17.8
55.47801	3.8
56.14263	3.9
57.07059	4.1
60.13011	3.9
61.02921	4.7
67.05506	24.9
68.99808	3.9
69.03438	23.4
69.07068	15.8
69.37810	32.2
71.05001	5.7
73.28117	4.4
79.05488	21.0
81.03429	24.8
81.07070	45.6
83.04985	19.0
83.08655	8.0
85.02911	27.9
87.00839	12.5
91.05479	45.8
93.07046	100.0
95.04980	12.7
95.08614	44.2
97.02898	15.9
97.06533	5.5
98.20729	9.1
99.04469	6.5
103.03961	6.3
105.01876	6.6
105.07040	44.2
107.08598	37.7
109.02881	19.4
109.06554	4.9
109.10170	41.8
111.08098	26.6
115.03972	8.6
116.69797	4.2
117.07088	7.6
119.08590	43.8
121.10138	26.3
123.11741	10.6
125.09689	7.0
127.03912	13.4
131.08575	14.2
133.10172	19.2
133.57851	4.5
135.08031	6.7
135.11688	12.5
137.06020	5.3
143.08594	7.1
143.40642	4.2
145.10132	18.1
147.11687	37.1
149.09601	4.7
157.10184	8.3
159.11717	12.3
161.13315	5.8
171.11720	7.1
173.13246	12.2
175.11211	5.9
175.14886	5.6
185.13310	4.8
187.11302	6.6
201.16414	4.9
203.17921	27.9
215.18121	7.7
217.71886	4.5
219.17354	5.0
221.18982	8.2
243.17360	4.4
245.19127	5.1
252.05869	4.7
269.19153	5.2
279.85059	4.2
311.20084	7.7
312.60446	4.3
315.09500	4.5
329.21082	5.8
378.26913	4.6
433.22232	4.6
451.22690	5.0
469.24680	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	469.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64787	6.1
53.03952	14.0
55.01863	20.1
55.05511	31.3
55.18540	7.0
56.58318	6.3
57.07060	7.5
66.17632	6.0
67.05513	34.5
68.99782	8.9
69.03437	34.9
69.07064	36.6
69.30370	39.1
69.30807	23.5
71.04996	8.5
73.02911	7.7
79.05490	39.9
81.03429	46.1
81.07062	100.0
83.04974	23.3
83.08580	8.0
85.02907	77.3
85.06566	8.1
87.00826	28.2
91.05483	48.6
93.07043	85.2
94.15496	7.9
95.04989	21.6
95.08604	92.9
97.02892	35.7
97.06530	29.8
98.21467	14.7
99.04456	17.4
105.01869	16.1
105.07038	86.7
107.08604	81.5
108.78834	6.3
109.02858	31.2
109.06516	19.8
109.10171	60.9
111.04440	13.2
111.08086	19.6
115.03899	11.8
117.07032	13.0
119.04942	9.9
119.08586	72.4
121.10149	59.7
122.07931	7.1
123.08038	13.7
123.11732	17.6
125.09636	26.9
127.03944	35.5
129.01868	8.8
129.06978	8.5
131.08578	28.6
133.10123	49.1
135.08057	16.2
135.11708	41.1
137.09570	13.2
142.07748	8.9
143.08557	15.3
145.04950	18.9
145.10141	36.5
147.08064	8.3
147.11710	77.3
149.09601	16.1
149.13248	10.2
151.11208	11.7
155.08571	9.4
156.09305	7.3
157.10165	32.7
159.02863	13.7
159.11691	27.9
161.09654	8.5
161.13266	21.1
171.11662	7.8
173.09636	18.2
173.13300	12.2
175.14790	8.2
183.11696	9.4
185.13300	9.3
187.14832	10.8
191.10626	10.7
193.65790	7.2
199.14819	6.7
201.16402	7.9
203.18031	56.5
213.16248	8.7
215.17892	10.8
219.17435	23.7
221.19069	18.3
225.16348	8.7
227.17961	9.8
231.04967	6.9
231.17451	10.3
241.08620	10.3
241.11227	6.3
243.17445	7.7
245.18903	16.3
251.18002	8.0
255.14011	8.9
269.19016	12.5
293.18823	9.4
311.20020	23.6
329.21259	14.7
433.22482	9.2
451.23660	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	469.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79917	4.4
51.97854	4.2
53.03939	13.9
53.33253	4.7
53.89625	4.3
55.01867	15.1
55.05503	21.4
57.03422	6.6
61.02927	5.8
67.05520	33.1
68.99796	7.2
69.03437	43.2
69.07072	26.9
69.34574	13.8
69.34992	23.3
71.01354	4.1
71.05000	26.2
71.99909	5.0
73.02925	5.1
77.97417	4.7
79.05499	27.7
81.03432	26.0
81.07067	58.9
83.04967	15.9
83.08612	6.0
84.31940	4.4
85.02911	56.0
85.06551	5.2
87.00832	22.1
91.05469	27.3
93.07058	47.8
95.04968	19.8
95.08622	36.7
97.02876	14.7
97.06541	84.3
98.20699	9.1
99.04440	6.3
105.01863	10.1
105.07036	52.8
107.04937	6.1
107.08605	49.8
109.02882	9.5
109.06508	10.1
109.10184	33.5
111.04476	7.1
111.08106	6.5
115.03932	7.6
117.03350	7.3
117.07026	16.6
118.42770	4.6
119.08591	61.2
120.59788	5.0
121.06491	5.5
121.10149	33.0
122.33872	5.0
123.04493	7.6
123.08057	8.8
123.11710	11.4
125.09669	7.2
127.03968	23.9
127.11195	17.6
129.01791	5.8
129.07004	6.8
131.08568	19.0
133.10143	55.8
135.04449	9.9
135.08034	6.4
135.11700	16.5
137.05940	5.2
137.09584	7.0
139.07568	5.4
141.06987	5.6
142.07780	9.3
143.08580	13.6
145.02834	6.7
145.10138	35.9
147.02884	10.4
147.08060	15.0
147.11673	21.6
149.09636	5.2
149.13275	13.8
151.11237	9.7
153.12750	8.0
155.08604	11.2
157.10124	16.0
159.04314	6.6
159.11699	37.8
161.02347	21.8
161.09642	13.8
161.13295	25.2
163.03923	57.8
165.09149	5.5
167.08665	4.4
169.06557	6.3
169.10193	5.5
171.08102	5.6
171.11668	15.7
173.02379	48.3
173.13228	10.1
175.11118	5.2
175.14824	18.2
177.12711	9.4
183.11702	11.5
185.13287	12.3
187.07593	5.3
187.14929	8.6
189.12663	7.3
189.16425	20.0
191.14368	5.0
195.11668	6.9
199.14720	5.2
201.12781	8.0
201.16380	18.0
203.14305	17.1
203.18004	18.3
213.16412	7.1
215.07047	64.0
215.18048	5.6
219.17480	7.5
221.15396	23.1
231.17372	5.2
241.15822	5.3
245.18898	7.9
253.22681	4.8
257.19089	9.6
259.09650	100.0
260.09976	10.6
274.20859	5.1
277.10696	63.0
287.20319	5.7
305.21140	5.7
311.19965	17.2
329.21005	12.2
433.16046	5.4
433.22104	10.7
439.19183	5.0
469.24292	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	469.2049
Annotation	Trp Thr Tyr
Peak:m/z	Relative Intensity
54.90492	0.4
57.32663	0.4
70.05041	1.6
70.06569	0.7
71.26217	0.4
82.94086	0.3
86.09714	0.4
98.20892	0.5
150.85654	0.4
160.08760	0.7
211.47954	0.4
213.42952	0.4
245.37033	0.5
263.14532	0.5
306.14383	1.7
307.15170	3.6
438.88434	0.6
449.35172	0.5
469.20465	100.0
470.20535	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	469.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
53.04779	2.4
55.01862	7.4
55.05518	10.6
57.03438	18.8
59.52581	1.9
60.04524	6.2
62.83873	1.9
65.03932	4.6
65.58907	1.9
67.05509	28.0
69.03425	7.8
69.07076	13.1
70.84102	3.5
70.84435	4.6
71.01360	24.8
71.04989	9.5
72.04532	13.5
73.02923	34.6
75.04444	3.4
78.42512	2.0
79.05502	26.7
81.03419	3.3
81.07060	21.7
83.01363	3.2
83.04997	14.0
84.05282	2.7
85.02914	58.1
85.06561	11.1
86.30777	2.5
88.03994	2.7
90.05541	8.7
91.05487	32.3
93.07056	31.6
95.01335	12.3
95.04977	30.8
95.08604	12.1
97.02898	9.5
97.05925	3.8
97.06539	60.1
99.00806	7.4
99.04453	5.7
100.17167	2.2
101.02381	7.9
101.06021	2.4
103.03954	10.9
103.05455	9.6
105.07036	69.7
107.04950	4.8
107.08591	19.0
109.06487	4.3
113.02368	34.7
113.90196	2.3
115.05489	4.2
116.06184	2.6
117.03377	3.4
117.07022	21.4
118.05036	24.8
119.05392	4.7
119.08595	26.3
121.06503	11.2
121.10242	2.5
123.08073	4.2
128.06245	3.3
129.07002	11.4
131.03413	9.5
131.04910	2.8
131.08569	76.7
133.06535	4.2
133.10138	12.5
135.04416	8.2
135.08029	6.1
137.09657	4.7
139.07539	3.2
141.01851	32.4
141.07007	5.9
142.07784	4.8
143.08559	10.0
144.09306	5.4
144.99951	2.2
145.02841	4.9
145.06482	5.3
145.10132	38.4
147.07999	3.1
147.11693	11.0
149.13373	2.5
153.06956	3.2
155.08577	12.4
157.10165	14.0
158.10870	4.3
159.02908	6.1
159.04439	3.8
159.08057	10.5
159.11700	42.1
161.02354	18.8
163.03911	34.7
163.07506	2.6
168.09363	4.9
169.08711	3.0
171.11671	6.5
173.02356	28.9
173.09616	6.4
173.13274	75.4
177.12761	11.4
183.11679	15.3
186.23616	2.1
187.11230	2.5
189.12802	2.9
191.14313	37.6
199.11313	2.3
201.12764	100.0
202.13036	2.7
215.07095	47.1
215.14362	2.7
217.12314	2.2
219.13805	53.4
237.14801	2.5
259.09631	15.7
275.16376	4.6
276.98682	2.2
277.10739	80.0
293.17477	49.0
317.17603	2.5
345.11832	21.5
359.14987	3.8
369.17511	4.4
377.15814	7.9
416.88254	2.4
423.21893	4.6
451.20132	11.8
469.20755	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.6
53.33499	0.6
55.01873	3.6
57.03427	1.2
62.05367	0.6
69.03432	8.5
69.68880	4.4
71.01347	0.6
71.04996	7.2
73.02907	0.6
75.09416	0.7
81.03421	9.4
83.04987	1.2
85.02898	1.0
86.09678	0.8
87.04484	0.8
95.08637	0.8
99.04455	5.2
99.05003	0.9
107.77988	0.8
109.02901	3.9
117.05487	1.1
117.66155	0.7
117.66977	0.8
118.06538	2.7
118.60394	0.7
119.08614	0.8
121.06618	0.7
125.92725	0.7
127.03926	1.2
141.07010	0.8
145.06596	1.0
145.07617	4.8
147.09169	4.2
162.07906	0.9
169.06558	1.2
173.07104	9.7
175.08720	3.6
187.07465	0.9
191.08170	100.0
192.08461	1.3
197.05928	0.8
215.07086	2.7
259.09738	2.5
277.10699	1.4
289.11850	3.1
307.12894	67.0
308.13187	1.6
317.15482	0.9
325.13925	16.4
397.13919	0.9
407.18045	1.0
409.15646	0.8
415.14987	1.3
433.16058	3.8
469.20764	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	468.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	3.7
57.07085	1.3
62.06095	100.0
67.05505	4.7
69.03439	1.8
69.07082	5.1
70.90086	1.4
71.05016	1.4
71.08646	0.9
75.17796	0.6
79.05509	2.7
81.07072	5.2
83.01344	1.0
83.05017	1.2
83.08643	2.1
91.05511	1.9
93.07056	3.1
95.08612	3.8
97.06539	1.5
97.10201	1.7
98.39405	0.6
105.07037	3.2
106.07394	0.6
107.08586	3.9
109.06554	1.2
109.10165	3.3
115.06902	0.6
119.08594	3.0
121.10183	2.3
123.04507	0.7
123.11732	0.9
125.02377	0.8
127.11241	1.8
128.24258	0.6
129.23410	0.6
131.08582	1.3
133.10184	1.4
135.08080	2.0
135.11694	1.2
137.06018	0.9
141.05496	2.0
145.10170	2.1
147.08150	0.6
147.11711	0.9
149.09711	1.1
151.03989	1.0
153.05525	1.8
157.10162	1.1
159.11761	0.9
161.09705	0.8
161.13278	0.8
171.11760	0.9
198.13589	0.6
203.10757	0.9
209.11981	0.6
213.65923	0.7
237.14989	0.7
249.14748	0.9
251.16400	0.9
378.52170	0.7
389.30533	30.2
390.30917	0.9
407.31671	6.2
450.30811	0.7
464.18506	0.7
468.32031	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51643	0.6
53.03951	5.1
54.15957	0.7
55.01868	2.0
57.03440	2.2
59.04991	1.0
69.03434	8.2
69.92983	1.9
69.93376	1.2
71.01348	0.7
71.04999	5.0
77.31468	0.7
81.03423	19.8
83.05002	4.6
85.02914	1.8
86.09706	1.7
87.10047	0.8
91.34006	0.7
96.84324	0.8
99.04451	10.9
103.03938	2.7
104.10733	2.3
105.11057	1.1
106.78168	0.7
109.02876	10.2
117.05507	1.6
118.06539	2.5
127.03952	2.2
145.07642	5.0
147.09172	8.0
163.08682	1.3
173.07100	10.0
175.08707	9.0
180.92090	0.7
184.07280	1.6
191.08165	100.0
192.08464	1.3
203.08206	0.8
204.08871	0.9
212.60017	1.0
231.11189	1.2
233.09369	0.8
243.11276	0.8
271.10730	1.4
289.11841	7.8
307.12903	34.9
308.13202	0.9
325.13947	32.6
331.12921	9.1
349.13861	7.0
361.64270	0.8
371.16013	2.4
389.17053	3.7
397.14008	5.2
415.14972	10.8
433.16135	10.5
451.17105	8.6
469.34042	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
55.05516	68.5
56.05043	2.8
66.61512	2.0
67.05499	3.3
67.12033	2.0
69.03441	12.5
69.07059	3.5
70.06586	11.4
70.82995	4.9
73.02928	2.6
79.05478	6.4
81.07049	7.4
81.50510	1.8
83.04988	100.0
85.02901	5.8
90.05544	6.5
91.05491	18.1
93.07040	7.7
94.06571	2.5
94.63023	1.9
95.04964	8.7
96.08121	5.8
97.02876	2.3
97.06537	7.0
98.06080	12.0
100.07609	2.5
105.07027	14.0
107.04928	4.3
107.08573	2.9
108.08111	9.1
109.06514	3.6
110.09692	2.5
111.04398	2.8
113.06059	2.5
115.05436	2.5
116.07082	7.3
117.07012	7.7
119.04961	4.0
119.08562	5.2
120.08084	3.4
121.06521	7.1
122.09663	2.7
124.07574	2.4
126.09182	2.3
127.03949	3.0
128.06250	3.3
129.07010	8.0
131.07320	1.9
131.08559	4.5
133.06494	4.3
135.08006	2.2
137.05981	3.1
141.07018	2.3
142.07710	2.1
142.08701	3.8
143.08542	6.0
144.06548	6.3
144.08096	2.4
145.06480	2.5
145.10104	5.1
146.09576	3.3
147.04382	3.6
147.07954	2.6
149.06015	4.8
154.08662	5.2
155.08546	3.6
157.10089	3.4
159.08089	5.1
161.05943	2.1
163.03862	3.1
165.05501	23.7
166.08710	3.8
167.07108	2.6
169.10162	4.6
170.08167	4.2
171.11732	2.0
172.09740	3.4
172.11200	2.2
173.02304	3.1
173.05925	2.6
173.09637	7.0
175.11166	2.6
183.08098	2.7
187.11212	3.9
191.07030	3.3
197.09747	3.2
199.11223	3.2
201.09215	10.0
203.10666	25.7
208.14040	2.5
215.07013	5.4
215.10701	8.2
216.10172	4.4
217.08691	2.9
219.10249	2.0
233.11626	3.0
235.13295	2.0
243.10141	12.7
250.10738	2.1
257.02905	1.7
258.56992	2.1
259.09576	6.8
260.12827	1.8
261.11206	17.6
262.10788	2.5
272.10416	7.2
274.14212	2.2
277.10605	3.2
279.12283	3.6
286.14398	4.9
304.15457	7.9
320.14819	5.8
322.16513	10.2
332.15005	4.1
340.17410	3.4
350.15994	41.1
361.16409	4.3
368.17117	20.7
450.21100	7.2
468.09656	6.5
468.22385	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	468.3088
Annotation	Buprenorphine
Peak:m/z	Relative Intensity
55.05514	1.0
56.05023	1.2
57.03431	0.5
57.07080	3.3
58.06598	1.5
60.08170	17.4
60.08482	0.8
63.82010	0.5
64.43343	0.4
67.05495	1.5
69.07080	0.8
69.77205	0.8
69.77609	2.3
71.07372	6.5
71.08641	1.4
81.07059	1.4
85.10180	0.6
86.09712	48.3
93.07043	0.5
95.08624	2.0
97.10188	0.5
98.98464	4.1
104.10751	96.9
105.11087	0.5
109.10169	0.9
125.00011	27.2
150.36418	0.5
184.07355	100.0
185.07822	0.5
258.11066	1.3
285.24203	2.7
450.29861	8.8
468.30917	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	468.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
53.94785	0.9
55.01863	2.2
55.05512	51.6
56.05029	2.9
57.03434	2.1
58.97786	0.9
67.05494	3.9
69.03432	9.1
70.06591	10.0
70.79793	2.4
76.37791	1.3
79.05482	3.1
81.03413	2.0
81.07045	3.4
82.06613	1.6
83.04980	49.4
86.06073	2.1
90.05548	2.6
91.05490	10.5
93.03418	1.1
93.07039	6.5
93.30498	1.1
95.04979	4.4
95.08598	2.1
96.04505	1.5
96.08112	4.8
97.02904	1.9
97.06535	4.0
98.06061	22.3
100.07631	10.7
103.05467	1.3
105.07021	8.2
106.06575	1.0
107.04972	4.7
107.08624	1.7
107.86534	1.2
108.08125	7.3
109.06536	2.3
110.06055	1.3
111.04478	2.6
113.05987	2.4
115.05452	1.7
116.07092	8.5
117.07014	6.1
119.04981	1.9
119.08588	4.7
121.06503	7.8
123.04435	2.1
123.08112	1.6
124.07589	3.3
126.09158	1.9
128.06256	2.9
129.07030	2.7
130.07797	1.2
131.04964	1.3
131.08560	4.8
131.23347	1.1
132.08038	1.1
133.06519	4.1
133.10138	1.4
135.04411	6.2
135.08061	1.5
137.09586	1.2
141.06979	2.1
142.07687	1.4
142.08644	4.2
143.08554	5.0
144.06558	17.8
144.09102	1.0
145.06505	3.5
145.10121	3.6
146.09679	1.5
147.08051	4.6
149.05989	3.9
151.07536	2.5
153.06934	2.2
154.08745	6.4
155.08575	1.8
157.06494	1.3
159.08034	4.1
159.11732	2.5
161.09627	2.6
163.03885	3.0
163.07523	1.9
165.09088	1.5
167.07071	3.9
169.10150	5.1
170.08211	1.7
171.08081	3.7
172.09760	2.5
173.05992	1.5
173.09642	6.5
175.07523	1.4
179.07071	1.3
179.08513	1.6
180.06567	1.9
183.08066	1.2
185.09621	1.4
187.11189	3.2
189.09113	3.1
191.07048	3.9
197.09616	7.5
201.09102	3.6
203.10611	1.4
205.08701	2.6
213.09116	2.0
215.07082	3.5
215.10677	8.1
217.08640	4.2
225.09109	2.0
231.10135	2.2
233.11739	2.7
238.10681	1.3
243.10172	8.8
259.09747	2.5
261.11215	100.0
262.11499	3.1
263.76251	1.0
265.13089	1.8
277.10648	2.3
277.13321	1.6
279.12265	10.4
286.14273	2.0
295.14194	7.5
304.15396	3.6
322.16556	6.7
332.14963	2.1
338.16031	5.8
340.17563	2.9
350.15988	20.8
368.17038	39.9
369.17413	1.9
386.18295	1.8
438.20752	1.2
450.21124	3.5
450.74603	1.2
468.22305	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	467.374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10714	0.8
52.59266	0.8
53.46600	0.8
55.05515	13.0
57.03439	2.0
57.07084	35.6
59.04999	4.2
63.18807	0.9
65.03941	2.7
67.05512	100.0
68.05846	1.0
69.07072	11.0
69.92155	3.2
69.92580	1.5
71.04999	3.4
71.08643	25.4
79.05502	3.2
80.06226	1.1
81.07066	26.1
83.08628	16.7
85.06548	2.3
85.10201	13.3
89.56047	0.9
91.05497	7.3
93.07054	4.0
95.08616	24.6
97.10176	5.8
99.11749	1.2
107.04975	1.2
107.08622	2.4
109.10167	74.4
110.10500	2.4
111.08064	2.1
111.11714	1.8
119.08582	5.0
121.06525	1.4
123.11739	3.7
127.11199	1.0
137.09630	2.5
137.13289	2.5
147.11624	0.8
149.06020	1.0
153.05458	1.5
155.10675	5.1
157.10121	0.9
173.11766	22.0
174.12114	1.3
181.08589	1.5
239.23685	8.0
283.17670	1.2
309.21164	1.0
467.37344	71.8
468.37598	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	467.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	12.8
57.03436	1.8
57.07080	33.2
59.05008	4.0
65.03939	2.4
67.05511	100.0
68.05846	1.1
69.07079	9.1
70.46268	1.5
70.46637	1.4
71.04991	2.1
71.08640	25.3
77.77140	0.7
79.05514	3.9
80.70659	0.8
81.07061	26.8
81.07536	1.5
83.08629	14.3
85.06551	2.0
85.10190	12.2
85.10678	1.2
91.05497	7.7
93.07055	5.1
93.07612	0.8
95.08612	24.3
97.10178	5.3
99.08106	1.0
99.11737	1.1
105.07052	0.9
107.08607	3.1
109.10168	76.9
111.08108	2.5
111.11739	1.0
119.08585	4.4
121.10124	1.1
123.11722	5.4
127.11205	1.5
137.09657	2.6
137.13289	2.1
145.10143	0.8
151.14905	1.2
155.10687	6.7
159.33672	0.7
173.11746	20.6
173.13187	1.3
202.31392	0.8
207.16634	0.8
239.23727	8.1
467.37387	82.6
468.37640	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	467.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83064	2.7
53.03947	3.4
55.05517	26.4
57.07077	35.6
59.05013	5.5
62.06098	18.0
65.03943	5.2
67.05508	100.0
68.92960	2.6
69.03413	7.0
69.07075	18.5
69.97906	15.5
71.04995	33.7
71.08642	23.5
79.05501	22.3
81.07061	70.1
83.04993	4.5
83.08634	15.5
85.06538	3.9
85.10172	12.5
91.05482	25.0
93.06493	3.4
93.07045	57.8
95.04970	17.6
95.08613	52.9
97.06503	6.7
97.10166	6.5
99.08132	4.0
105.07043	62.0
107.04948	3.2
107.08609	44.3
108.33305	3.4
109.06485	6.6
109.10159	84.0
111.11728	3.0
112.64274	2.7
115.05477	3.5
117.07015	11.2
119.08575	30.5
121.06509	9.8
121.10151	24.0
123.08076	5.6
123.11700	13.2
125.09631	22.4
127.10389	3.4
127.11190	89.8
127.12141	4.3
128.06200	5.7
129.06993	10.4
130.07857	5.1
131.08578	21.5
133.10130	25.8
135.08022	10.5
135.11678	13.6
137.05974	6.4
137.09627	10.0
137.13271	4.6
139.04007	4.6
142.07797	11.5
143.08569	19.1
145.06456	4.6
145.10129	21.6
147.08014	7.3
147.11679	19.5
149.09641	6.0
149.13261	35.1
151.11179	5.9
155.08531	14.0
155.10616	6.3
156.09323	4.1
157.10146	33.3
159.08020	8.7
159.11714	39.2
161.09607	12.5
161.13199	5.7
163.07515	10.0
163.11160	5.6
165.06990	3.1
165.09116	3.4
165.12790	3.1
169.10139	10.9
170.10970	3.7
171.08018	4.5
171.11673	15.9
173.09622	13.2
173.11731	15.2
173.13271	10.2
174.06776	3.7
175.07558	6.6
175.11182	13.4
176.30341	2.9
176.95242	3.5
177.09094	7.2
180.93922	3.2
181.10104	7.6
182.10901	4.2
183.11690	10.9
185.09615	5.6
185.13269	11.6
187.11153	5.7
187.14771	9.0
189.09114	5.5
189.12732	6.0
191.10663	9.4
193.10066	4.6
195.11696	4.3
197.09525	3.8
197.13246	11.6
199.11128	9.1
199.14848	34.2
201.09117	4.2
201.12671	5.9
201.16585	3.6
207.11760	4.5
209.09691	4.0
209.13344	6.7
211.11165	3.8
211.14833	5.0
213.12732	5.4
215.10635	3.6
215.14349	4.4
217.12163	4.7
217.15930	4.0
225.12666	5.8
225.16338	4.4
231.13837	3.6
239.17981	7.0
239.23669	8.1
243.13681	3.6
245.13188	3.9
245.15428	13.4
249.16351	5.0
251.14204	3.4
263.16364	19.4
265.15912	4.9
267.17435	4.1
283.16977	6.3
285.18481	5.6
297.01855	3.0
297.18448	3.3
301.18039	5.9
305.19012	5.7
313.27368	5.4
333.22043	3.4
345.21918	3.6
361.24969	4.1
363.22937	4.9
391.26212	9.3
409.27368	22.1
413.28275	3.4
421.30994	3.9
431.29825	16.8
449.30728	28.7
458.48306	3.0
467.31339	17.6
467.37259	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	467.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
55.05513	12.8
57.03436	2.0
57.07080	33.0
59.04996	3.3
65.03937	2.9
65.15952	1.0
67.05509	100.0
68.05859	1.5
69.07072	8.8
70.07404	1.0
70.70576	2.6
71.04979	2.8
71.08635	23.7
76.91971	1.2
77.41888	1.0
79.05492	3.9
81.06593	1.6
81.07059	28.0
83.08627	15.9
85.06536	2.0
85.10192	12.5
89.06030	1.3
91.05489	7.0
93.07021	4.0
95.04997	1.4
95.08611	24.9
97.10174	6.4
105.07023	1.8
107.08565	2.6
109.10162	70.7
110.10503	1.3
111.08103	2.1
111.11710	1.8
114.18674	1.0
119.08577	4.0
120.97900	1.1
123.11710	4.8
133.10091	1.3
137.09615	2.8
137.13269	2.4
155.10692	4.4
173.11757	20.8
221.22726	1.1
239.23741	8.2
389.80624	1.1
467.37344	75.3
468.37750	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.05511	6.8
67.05495	1.8
69.03436	5.7
69.07063	1.9
71.24726	2.2
79.05513	1.5
81.03407	3.8
81.07030	3.0
83.04990	6.0
83.08598	2.0
85.02918	5.7
85.26721	1.2
87.00809	1.8
91.05482	6.5
93.07061	1.8
95.08606	2.6
97.02914	2.2
97.06550	1.7
100.11265	3.0
103.05475	2.3
105.07030	4.3
107.04929	1.2
107.08611	1.7
109.02897	3.0
109.10105	2.8
115.05442	1.7
117.07031	10.1
119.08597	3.3
121.02913	1.5
121.10230	1.5
127.03925	4.1
129.06998	2.8
130.07736	1.4
131.04935	2.6
131.08586	3.7
131.30501	1.2
133.10159	2.1
143.08534	1.8
145.10130	12.5
147.04347	1.6
147.11679	1.6
149.09564	1.2
155.08580	4.0
157.10095	2.0
158.07239	1.5
159.11707	4.7
161.13260	1.3
165.05492	2.6
171.11742	1.3
173.09660	2.7
173.13197	1.5
199.14836	1.9
201.09125	100.0
201.16394	7.5
219.10179	3.3
219.17442	1.7
328.65237	1.4
346.48846	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19379	1.1
51.60994	1.0
55.05516	5.7
57.03447	11.6
57.07083	38.3
59.55673	0.9
67.05508	12.1
69.07071	7.6
69.91358	1.6
69.91747	2.8
71.04982	1.4
71.08241	1.2
71.08640	20.3
79.05481	1.6
79.94663	0.9
81.07056	13.2
83.08627	6.7
85.10185	12.2
89.06042	1.5
91.05515	1.2
93.07043	2.0
95.08622	17.2
97.10184	3.9
98.98476	44.2
99.11771	1.1
105.07055	2.0
107.08575	1.2
109.10168	10.4
111.11746	1.6
119.08593	1.3
123.11710	2.6
127.11260	2.0
137.00003	4.0
145.10147	1.6
147.11681	1.9
149.09641	1.2
155.01056	51.6
155.15608	1.0
173.49191	1.0
180.72929	1.0
193.02769	1.5
211.03667	1.2
229.04729	2.3
239.23688	5.7
247.13414	1.6
257.24854	1.7
309.64459	1.1
313.27390	100.0
314.27768	2.7
393.24197	2.5
449.26599	11.6
467.31781	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	467.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
55.05507	16.8
57.07067	6.5
57.74840	3.5
62.06079	5.8
67.05505	38.4
69.07051	20.1
69.19710	41.4
71.04996	48.7
71.08607	6.0
77.03922	4.9
79.05501	20.2
81.07059	57.0
83.08608	7.0
86.06034	4.7
87.04511	4.1
87.83293	3.6
91.05479	33.3
93.07056	63.0
95.04955	14.4
95.08627	28.6
95.56507	3.9
97.06566	8.6
98.21619	7.6
98.78805	4.2
99.08083	5.6
104.07094	11.8
105.06409	5.0
105.07033	61.8
107.08593	40.2
109.06517	10.6
109.10172	42.3
117.07037	11.5
119.08591	28.4
120.21806	4.3
120.27100	4.1
121.06493	10.1
121.10144	20.8
123.08066	6.6
123.11660	8.1
125.09647	21.4
127.10305	8.0
127.11191	100.0
128.06252	6.8
129.06993	14.5
131.08569	24.6
133.10138	34.0
135.08047	10.9
135.11710	9.9
137.05937	8.8
141.06931	8.6
142.07762	11.5
143.08589	24.0
144.09328	6.1
145.10123	30.9
147.08014	7.5
147.11714	26.4
149.09581	8.9
149.13249	28.8
151.11174	5.9
155.08574	12.4
156.09320	6.2
157.10165	32.2
159.08040	12.7
159.11697	38.7
161.09669	21.3
161.13271	6.8
163.07565	10.3
163.11209	6.9
165.09029	4.1
167.08543	4.6
169.10095	12.6
171.07977	5.7
171.11699	15.1
173.09624	13.7
173.13177	6.1
175.07623	5.5
175.11217	12.2
177.09140	10.2
181.10109	8.1
183.11685	13.3
185.09599	5.1
185.13281	17.7
187.11201	8.3
187.14792	5.3
189.09106	9.0
195.11719	10.6
197.09619	6.4
197.13246	17.1
199.11185	7.8
199.14841	30.0
201.16379	4.6
207.11632	10.2
209.13266	5.5
211.11244	6.2
211.14709	4.7
213.12688	10.9
215.14345	7.2
217.12184	8.3
223.11195	6.1
223.14772	9.7
225.12682	7.7
225.16328	5.3
227.14178	6.9
231.13885	6.0
237.16255	6.6
245.15475	8.4
249.14621	4.3
251.14287	6.9
263.16418	14.6
265.15820	6.2
267.17480	9.1
276.27942	4.1
283.16959	9.4
285.18573	6.5
293.18826	5.4
301.18060	8.6
305.18948	6.5
323.19864	4.7
363.27103	5.2
381.27966	8.0
391.26288	12.1
409.27423	19.3
431.29303	13.5
449.30530	33.5
467.31497	27.3
467.37289	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	466.2442
Annotation	Ku-0063794
Peak:m/z	Relative Intensity
53.03947	1.4
55.05517	22.8
56.05012	1.2
58.66594	0.9
61.56788	0.9
64.76228	1.0
67.05506	2.5
68.05025	3.2
69.03431	8.8
69.61281	5.2
70.06598	48.0
71.04996	1.3
71.06940	1.1
71.72594	0.9
72.08157	2.4
73.79911	0.9
74.06084	1.0
79.05491	3.6
81.03413	1.6
81.07049	3.3
82.70927	0.9
83.04989	38.2
85.02896	3.6
85.75382	0.8
86.06078	9.0
86.09706	3.7
87.04471	26.9
88.04044	1.3
91.05469	5.0
93.07048	5.3
93.09539	0.9
95.04961	4.1
95.08607	3.5
97.02895	2.0
97.06567	1.7
98.06062	100.0
105.01896	1.0
105.07037	5.1
107.04929	1.2
107.08598	2.6
109.06523	1.4
109.10160	1.8
116.07101	72.0
117.07037	1.8
118.06606	1.2
118.49574	1.0
119.04945	1.1
119.08614	4.0
120.08168	1.7
121.06463	1.9
121.08411	0.9
121.10152	1.1
123.04418	1.5
125.06083	0.9
127.03932	2.0
128.06190	1.2
129.06978	1.2
131.08574	4.0
135.08076	1.3
136.07584	2.7
142.07765	2.0
143.08589	2.2
145.06503	2.2
145.10144	3.9
146.06078	1.8
147.08115	1.5
147.11696	1.1
152.07178	1.1
155.08527	1.0
157.10149	2.2
159.08025	1.2
159.11713	1.4
163.03908	1.1
165.05556	1.1
167.07028	1.6
169.10129	2.1
173.09677	1.8
181.10138	1.5
182.08253	1.2
183.11784	1.2
183.13818	2.7
184.07396	1.3
191.10703	1.0
199.11218	2.4
201.12846	2.1
215.10738	1.3
261.11160	9.9
328.30957	1.0
330.17227	3.4
348.14282	2.0
348.18173	5.5
366.15204	1.9
366.19159	11.4
384.20428	2.1
412.44092	1.3
448.23019	2.1
466.24466	98.1
467.24582	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
55.05515	28.6
56.05045	4.8
56.05859	0.7
56.98094	0.8
59.41356	0.8
67.05518	2.0
68.05035	3.7
69.03432	7.9
69.35721	1.6
69.36140	5.0
70.06600	43.7
71.05029	1.7
74.06089	2.9
79.05515	2.0
80.05025	0.9
81.07057	1.1
83.04988	34.4
86.06070	8.4
86.09724	1.8
87.03939	1.4
87.04476	26.1
91.05480	4.5
93.07064	3.4
95.04984	3.3
95.08614	1.6
98.06063	100.0
99.06414	0.9
101.04288	1.0
102.05556	3.9
105.07037	5.3
107.08595	1.4
109.06529	1.0
109.10181	1.0
115.05531	1.2
116.07101	77.0
117.07053	3.2
119.08614	3.3
120.08172	1.4
121.06535	1.5
123.04520	1.1
123.08102	0.8
123.11720	0.8
127.03913	1.0
128.06264	1.4
129.07028	1.7
131.08627	3.0
132.08058	0.9
133.06609	1.2
133.10240	1.0
135.04420	0.9
137.06067	0.8
140.07085	1.1
141.07030	0.9
142.07741	1.1
143.08620	2.6
145.10161	3.4
147.08011	1.4
147.11658	1.3
151.07635	1.4
155.08572	1.4
157.10176	1.3
159.08080	1.3
159.11748	1.1
160.28532	1.0
161.09723	1.1
169.10164	1.5
171.11789	1.3
173.09668	2.8
175.07642	1.0
175.11316	1.2
178.08635	1.8
182.09738	1.3
184.07486	1.6
185.09692	1.3
187.11221	1.0
189.09171	1.1
199.11305	2.4
201.12909	1.0
215.10783	1.2
216.33070	0.9
217.12498	1.0
218.42125	0.9
229.08699	0.9
230.15569	1.0
232.09764	1.1
233.11761	1.3
245.11827	1.2
259.09711	1.9
260.12744	0.9
261.11209	5.3
284.13037	1.4
284.16620	1.3
286.14502	1.7
302.14084	1.7
320.15070	2.0
330.13513	2.0
330.17230	2.4
348.14484	14.6
348.18268	3.5
366.15305	1.5
366.19217	10.2
420.20569	1.1
448.19467	1.8
466.24597	85.1
467.24792	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	465.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01868	1.2
55.05518	41.0
57.03444	2.1
57.07081	15.8
59.04799	0.5
59.05015	5.2
65.03954	3.3
67.05511	100.0
69.03395	0.5
69.07075	38.6
69.51905	0.5
71.05002	2.7
71.08639	8.3
79.05491	3.1
79.52513	0.6
80.17849	0.7
81.07067	16.3
83.08628	38.1
85.06545	2.8
85.10185	4.5
86.59200	0.5
89.06008	0.7
89.73773	0.5
91.05496	8.3
93.07040	3.6
95.04977	0.9
95.08614	6.2
97.10179	25.5
107.08618	2.5
108.16479	0.6
109.10168	80.6
111.08103	3.5
111.11736	10.1
119.08605	5.4
121.10168	0.6
123.11683	0.9
125.09716	0.9
125.13300	2.4
137.09651	3.5
139.14871	0.9
155.10683	8.5
173.11760	34.0
176.49399	0.5
237.22160	2.7
311.36777	0.6
465.35812	83.6
466.36148	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.05514	38.8
56.87655	0.6
57.03442	1.9
57.07078	14.6
59.05009	4.1
59.41217	0.7
65.03950	2.8
67.05507	100.0
69.07072	37.6
69.59216	0.6
71.04997	2.7
71.08634	9.8
71.50772	0.6
71.51234	0.7
73.12405	0.7
79.05497	3.1
81.07060	16.1
83.08623	37.9
85.06555	2.8
85.10184	3.8
89.06036	1.7
91.05491	6.2
93.07056	5.1
95.08607	7.7
97.10175	25.6
97.10786	1.3
105.07051	1.1
107.08614	3.2
109.10162	73.6
110.10447	0.7
111.08093	4.0
111.11720	8.2
119.08585	6.3
125.13294	2.3
127.11201	0.8
133.08615	0.8
137.09630	3.4
137.13298	0.9
141.04503	0.7
155.10663	6.5
173.11740	30.6
183.27356	0.8
220.46495	0.7
237.22211	2.5
247.76060	0.8
311.25983	1.2
433.19656	0.8
465.35812	70.8
466.36008	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	20.7
55.13123	5.0
57.81624	4.6
59.04391	4.7
67.05502	58.8
68.25117	5.0
69.03412	7.3
69.07075	20.4
69.82178	23.9
71.04977	7.6
72.20409	4.6
79.05474	21.8
81.07061	39.6
83.04967	14.0
83.08619	6.5
85.02864	5.8
87.55343	4.3
91.05476	33.0
93.07044	28.9
95.04972	8.7
95.08613	26.3
97.06532	8.8
98.20762	10.0
99.64579	4.4
102.94062	4.7
104.17877	4.8
105.07030	51.5
107.04984	5.9
107.08605	46.5
109.06519	9.5
109.10162	100.0
111.04486	5.9
117.07025	9.8
119.08582	43.2
121.06519	34.1
121.10117	23.6
123.08052	8.1
123.11670	14.7
129.06998	18.1
131.08568	40.3
133.06529	13.6
133.10098	28.4
135.08058	82.6
135.11681	20.9
137.05972	18.6
137.13255	8.0
141.06987	8.2
142.07730	6.0
143.08530	26.1
145.06477	9.6
145.10133	49.3
147.08049	16.3
147.11635	26.2
149.09639	9.0
149.13263	16.0
151.07535	43.0
154.98703	5.8
155.08574	12.5
157.10167	15.3
158.07329	7.9
159.08047	51.9
159.11708	13.8
161.09604	50.5
161.13264	7.7
165.09114	6.1
169.10152	10.4
171.08083	12.0
171.11685	9.1
172.08813	5.9
173.09618	52.0
173.13329	10.4
175.07516	11.3
175.11163	22.8
175.14784	4.8
177.09114	35.6
182.10815	6.4
183.11699	9.2
185.09608	15.6
185.13287	9.0
187.11171	8.5
187.14851	11.9
189.09119	9.3
189.12784	10.4
191.10661	5.2
195.11774	9.2
197.13240	8.4
199.11241	11.1
199.14815	4.9
201.09123	5.3
201.12845	10.1
203.14482	5.9
209.13121	7.0
211.11177	10.0
213.12746	16.8
215.14322	41.5
215.74039	4.8
217.12180	5.4
217.15921	4.8
223.11282	6.6
223.14714	6.2
225.12761	10.5
227.10614	6.3
229.15948	6.6
231.13757	8.1
233.15396	21.7
235.14790	6.8
237.12726	13.0
241.15697	6.4
247.15036	6.1
283.16949	7.8
285.18747	6.0
285.34506	6.0
293.18564	5.3
295.20575	6.3
373.21628	6.3
375.48715	5.9
401.28589	5.6
419.29492	10.2
429.27936	21.5
447.28983	33.8
465.20816	7.9
465.23779	6.2
465.30188	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	465.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	11.1
55.05526	26.2
57.03440	8.0
57.07071	13.2
65.03928	4.3
67.05513	64.1
68.59174	2.8
69.07079	41.0
71.04997	4.9
71.08611	3.1
73.02907	5.4
79.05493	18.6
81.07067	52.0
83.04971	5.8
83.08627	21.5
85.02904	3.4
91.05478	13.4
93.07059	28.6
95.04967	5.9
95.08618	17.8
97.06535	7.9
97.10153	7.9
97.33070	2.8
98.98480	52.0
105.07030	17.2
107.08612	19.7
109.06533	4.6
109.10172	100.0
111.08125	2.8
111.11700	4.6
117.07056	3.5
119.08544	13.8
121.06507	6.1
121.10177	14.3
123.11696	6.9
125.09640	3.8
127.11189	11.7
129.05476	5.4
129.06960	3.2
131.08586	8.6
133.10098	9.0
135.08047	8.5
135.11702	9.9
137.00076	4.6
137.05971	5.2
141.06943	3.8
143.08575	5.2
145.06458	5.6
145.10135	10.7
147.07999	4.2
147.11688	8.9
149.09634	5.8
149.13242	5.9
151.07550	4.0
153.05487	6.4
155.01048	43.7
157.06488	4.0
157.10124	7.3
159.08003	5.1
159.11713	12.9
161.05962	4.6
161.09665	7.2
161.13266	3.6
167.07007	5.6
168.13252	2.9
169.10112	3.7
171.08095	3.8
171.36317	3.8
173.09616	5.5
173.13297	6.7
175.07501	6.8
175.11343	4.9
183.11650	3.6
185.05998	9.0
187.07561	11.1
189.09055	8.3
193.08551	5.3
193.10132	3.6
195.11731	4.4
197.09642	4.0
199.07561	6.3
199.11130	4.2
199.14903	4.0
203.07082	18.3
203.10571	3.6
205.08482	3.5
213.09215	3.2
215.10674	3.8
215.14372	4.0
225.09142	5.1
227.10533	3.3
231.13823	4.7
237.22148	11.6
239.10701	4.4
243.10201	3.2
257.11914	3.4
279.13937	5.5
283.16974	3.9
301.18091	3.9
311.25830	84.1
327.19662	3.9
405.24472	3.9
407.25827	8.0
447.24249	6.4
447.29227	10.6
465.30203	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	10.7
55.05511	18.7
57.03435	8.2
57.07081	7.6
66.43904	0.9
67.05515	7.2
69.07069	21.4
69.93798	3.8
71.08643	4.5
73.02919	7.8
79.05492	4.3
81.07057	8.1
83.08156	1.2
83.08622	19.6
85.10168	2.4
92.55155	0.9
93.07040	4.9
95.08594	6.6
97.06533	2.8
97.10167	11.5
98.98470	49.1
107.08575	3.3
109.10161	2.6
111.08052	1.2
111.11708	3.3
121.10110	4.9
123.11710	1.3
129.05470	3.4
135.11690	3.9
137.00003	2.9
155.01044	40.5
177.35947	1.0
177.37427	1.0
211.03688	1.2
219.21002	1.3
229.04764	2.9
237.22144	10.1
307.62939	1.1
311.25812	100.0
312.26083	2.0
351.82062	1.2
375.09329	1.1
447.25122	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	465.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.6
55.05512	28.5
57.03435	1.2
58.99580	5.8
61.01163	6.2
64.33452	1.0
65.03948	1.2
67.05496	2.0
67.09396	1.0
69.03422	1.7
69.36639	1.5
69.37042	7.5
71.01340	1.2
71.04981	1.2
79.05492	6.4
81.03430	1.9
81.07061	2.4
83.04987	37.6
85.02909	1.5
86.99043	2.3
89.00600	5.1
91.05487	6.3
93.07055	1.4
95.04973	2.6
95.08591	1.1
97.06522	1.5
105.07034	10.2
107.04962	6.4
111.02640	1.9
115.05461	7.4
117.07019	6.3
119.01649	1.6
119.04971	1.7
119.08574	3.7
121.06487	1.7
123.04417	1.4
125.01444	1.1
128.06236	12.2
129.07008	22.9
130.07745	1.7
131.08562	5.5
132.99568	3.2
133.10220	1.2
135.04414	3.2
137.05986	1.2
139.02206	1.7
141.06992	15.8
142.07784	49.3
143.08586	11.7
144.09433	1.1
145.06483	5.8
145.10124	6.0
147.08055	3.0
152.06175	5.3
153.06998	3.8
154.07794	13.4
155.06030	1.6
155.08578	8.9
156.09370	2.9
157.06480	4.1
157.10136	50.2
159.08040	2.7
159.11693	5.6
161.04257	3.1
161.09653	2.6
163.03969	1.3
165.06972	4.5
166.07759	2.0
167.01595	3.2
167.08574	12.3
168.09343	2.0
169.06476	2.6
169.10136	21.3
170.07275	7.8
171.04449	2.6
171.06526	4.4
171.08061	11.9
171.11729	1.6
172.08765	1.3
173.04152	1.2
173.05963	6.0
173.09612	3.9
175.11165	3.2
179.08568	4.7
181.10091	1.3
182.07294	2.8
183.08043	2.3
183.11786	1.3
185.04272	1.9
185.05933	2.0
185.09622	42.2
186.05042	1.6
187.05785	3.5
187.07465	1.5
187.11183	10.6
189.09163	1.4
195.08099	8.9
197.05890	1.4
197.09642	18.0
198.06776	2.7
199.05885	1.7
199.07541	1.3
199.11130	2.8
201.07330	3.2
201.09065	2.4
203.10704	4.8
213.09122	100.0
214.09718	3.9
215.10684	20.6
225.09198	11.3
229.06831	2.6
231.10164	16.6
243.10222	11.6
245.06314	2.4
246.07086	4.4
251.07388	4.0
259.40015	1.2
273.09348	1.4
275.07324	2.3
289.08774	1.7
293.08279	2.5
301.09015	3.0
317.08356	2.9
319.10040	2.1
335.09476	12.4
347.09387	3.6
365.10876	5.6
409.10468	1.2
475.62473	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63572	1.2
55.27318	1.5
61.12196	1.2
61.40700	1.2
69.03425	3.7
71.50757	1.7
78.57082	1.2
78.87764	1.1
81.03432	2.4
85.02909	5.6
97.02922	3.7
127.03931	1.4
180.07909	1.2
182.08347	2.4
194.09744	1.6
195.09171	2.2
196.08334	1.7
196.09894	10.4
197.10744	3.3
206.08418	22.2
209.07097	2.6
209.10745	2.2
210.11464	2.0
211.12292	12.0
220.09972	2.4
221.10773	9.5
223.08539	7.2
224.09489	9.5
225.10332	1.5
227.08243	4.3
228.08914	1.8
237.10248	5.0
238.11067	7.8
239.08186	2.1
239.11803	26.2
241.09689	3.2
252.09010	2.0
254.10544	1.9
257.12906	2.6
267.11310	65.9
271.10577	1.5
272.11636	7.4
285.12350	59.2
286.12671	2.1
303.13416	100.0
316.14236	1.4
367.16962	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1032
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.63849	0.4
51.15094	0.3
53.03964	0.3
57.03427	0.5
57.23484	0.4
61.02648	0.5
61.02931	6.5
65.00731	0.3
65.03914	0.4
68.99785	0.9
69.03417	0.9
69.55262	1.6
70.06600	0.5
72.47378	0.3
73.02914	1.7
81.03403	1.1
85.02911	6.3
91.03963	3.9
95.04961	0.4
97.02911	2.6
98.21523	0.7
99.04456	0.4
109.02888	0.9
111.00803	1.0
115.03898	0.4
121.02895	0.9
127.03881	1.1
128.06308	0.4
131.08501	0.6
136.89044	0.3
137.02330	3.5
137.05959	0.4
145.05078	0.5
145.06342	0.3
145.10139	0.4
153.01855	4.6
155.04892	0.4
161.06032	0.8
163.03905	0.8
165.01831	2.5
183.02861	0.8
183.04391	0.4
187.03979	0.5
199.14833	0.4
201.05525	2.4
228.04115	0.4
229.05006	5.9
247.06056	0.8
257.04443	3.5
274.04825	0.8
285.03964	1.3
294.99738	0.4
303.05011	100.0
304.05310	1.9
315.04889	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1371
Annotation	Keyakinol
Peak:m/z	Relative Intensity
52.56815	0.7
55.05497	0.8
63.57702	0.6
64.10528	0.7
70.42053	1.2
93.07095	0.8
127.00043	1.1
143.08577	0.7
157.10109	0.8
161.09586	1.2
185.09586	0.9
201.05257	2.0
216.07576	14.9
217.08374	11.6
217.15889	1.2
227.05356	2.1
235.22566	0.6
238.92847	0.8
257.14249	0.6
271.04318	3.2
379.13702	6.4
397.24771	0.6
403.13531	0.9
421.14737	41.6
422.15070	2.0
465.13727	100.0
466.14072	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	463.3785
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03951	2.1
55.05507	10.6
57.07081	30.4
67.05507	7.5
69.07072	20.4
71.08636	21.2
71.51279	2.6
79.05504	8.1
81.07067	15.5
83.08627	13.0
85.10175	14.1
86.05880	1.5
91.05486	5.5
93.07049	7.2
94.36799	1.5
95.04990	2.2
95.08609	14.7
97.06548	2.4
97.10188	9.7
99.04465	3.6
105.07027	6.0
107.04946	3.1
107.08604	5.4
109.06528	10.7
109.10152	8.6
111.08075	3.6
111.11734	4.1
113.00071	1.9
119.08581	5.0
121.06519	2.0
121.10126	5.4
123.08106	11.5
123.11696	3.7
125.06001	12.1
127.07557	37.1
131.08522	2.2
133.10144	3.9
135.08064	4.4
137.06001	5.4
137.09653	2.8
139.07555	100.0
149.06026	3.9
149.09616	2.3
149.13252	2.6
151.07585	7.4
161.13289	2.6
163.11168	2.5
167.07106	4.5
169.08644	2.3
177.09146	15.2
187.14856	2.3
301.28940	5.9
319.29932	9.9
347.33112	15.8
373.31046	5.4
384.64334	1.9
399.36304	4.9
417.37222	16.2
427.35663	3.0
445.36908	38.6
463.37872	25.4
485.60040	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	464.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98768	3.8
57.82043	3.7
58.22697	4.1
64.36153	3.8
68.50735	4.2
69.03397	8.1
69.97945	18.7
78.40528	4.2
85.02896	9.5
95.08617	5.3
97.02884	6.8
99.85912	4.7
121.06523	5.5
135.08066	6.9
137.05998	14.3
141.38756	4.1
143.10695	5.2
151.07533	19.0
157.07620	11.5
163.07565	12.5
163.11235	6.8
175.07552	16.8
177.09114	9.2
189.09114	9.3
191.10684	100.0
209.11746	8.9
218.08110	8.8
231.13844	11.7
249.14798	44.6
284.13971	11.8
302.14948	6.1
419.70602	4.7
420.12796	4.4
428.18262	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	463.3785
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.33442	2.4
55.01868	3.8
55.05515	15.5
57.07081	41.2
65.96204	2.3
67.05496	10.7
69.07069	26.2
71.08636	24.3
71.51167	2.6
74.99911	2.0
79.05486	8.4
81.07059	22.6
83.08622	17.3
85.06551	2.7
85.10196	11.2
91.05474	7.4
93.07053	11.8
95.08614	21.0
97.10171	10.4
99.04467	4.4
105.07018	7.2
107.08584	9.7
109.06506	15.6
109.10143	12.9
111.11733	6.3
112.65008	2.4
119.08589	8.3
121.06511	6.1
121.10121	6.8
123.08091	13.5
123.11737	4.1
125.06001	18.6
125.09574	2.5
127.07571	36.6
131.08582	2.2
133.10089	2.3
135.08063	4.1
135.11722	3.6
137.06013	8.7
137.09613	3.7
137.13220	2.4
139.07547	100.0
145.10039	3.0
147.11720	3.4
149.05952	8.4
149.09627	3.2
151.07549	8.8
161.13353	3.4
165.09134	2.5
167.07083	5.4
176.47472	2.3
177.09067	15.2
177.12708	2.2
179.10609	3.1
181.08679	3.3
185.13300	2.2
218.31473	2.3
249.14998	2.9
301.28778	4.7
319.30029	14.3
347.33051	15.3
373.31027	5.9
375.35617	2.6
385.34561	2.9
399.36194	5.1
403.35690	4.3
417.37326	16.5
427.35803	5.6
445.36844	50.8
463.32034	3.7
463.37961	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.0
55.01867	7.1
55.05506	4.6
57.03447	13.8
61.02924	6.0
61.37305	2.4
62.90127	2.7
67.05495	8.9
68.99804	14.5
69.03439	16.0
69.07069	5.9
69.89984	12.9
70.06590	3.6
71.04996	22.4
73.02920	3.6
77.16557	2.2
79.05498	5.9
81.03420	19.3
81.07072	6.0
83.04961	3.9
85.02913	100.0
86.06070	6.0
86.09674	2.6
87.00830	23.4
87.04439	3.0
91.05476	7.3
93.07035	3.3
95.04948	2.6
95.08590	4.3
97.02900	7.7
99.04454	6.6
103.03944	5.2
105.07027	7.2
107.04948	6.5
107.08609	7.2
109.02881	10.2
109.06525	2.9
109.10167	12.3
111.04478	3.8
115.03961	3.5
119.08607	3.6
121.06511	6.2
125.09595	3.9
127.03922	22.4
127.11200	46.8
129.01863	7.1
129.06989	6.1
131.04918	4.7
131.08548	3.8
133.10135	4.4
135.08035	4.7
137.05945	8.9
141.06969	2.7
142.07741	2.9
143.08537	3.5
145.04942	4.2
145.10127	4.5
147.08057	6.7
149.05975	3.2
151.07555	22.4
152.41362	2.7
155.08560	5.4
157.10123	3.9
158.07257	4.0
159.08051	7.4
161.06004	12.3
161.09615	6.9
163.07550	9.6
171.02892	23.6
173.06075	2.6
173.09639	7.2
175.07574	23.6
177.09097	8.8
183.08064	2.9
185.09673	4.7
187.07542	9.5
187.11122	2.7
188.08252	3.9
189.03963	25.9
189.09132	24.6
191.07033	4.6
191.10666	19.2
197.09697	5.2
198.11243	10.2
199.07524	7.5
199.11444	9.2
201.09093	25.9
203.10709	7.1
211.11078	3.9
213.03926	5.5
213.08978	16.1
215.07065	9.1
215.10620	12.7
217.08575	8.9
217.12308	5.4
225.09108	6.0
227.07188	3.2
227.10675	6.1
229.08658	3.3
229.12140	7.9
231.13826	5.0
233.07950	3.2
239.10628	5.2
239.61966	2.4
241.08589	9.6
243.10211	7.7
243.13820	8.3
245.15288	11.9
255.13695	2.8
257.15375	17.2
259.09659	5.5
267.10223	8.7
269.15320	9.1
281.11545	2.6
285.11212	10.4
287.16501	5.6
295.16992	3.7
299.16379	7.8
301.07114	4.1
301.15494	18.3
313.17999	7.3
323.16476	15.7
341.17542	42.9
348.16699	4.0
349.16840	10.7
359.18604	5.0
389.12253	9.0
445.18661	10.7
463.19766	7.9
467.90018	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	463.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.4
55.05509	7.3
57.03428	6.7
57.07071	3.3
61.02925	6.8
63.97395	1.6
64.41540	1.8
67.05506	7.8
68.99788	12.1
69.03420	7.0
69.07061	3.3
71.04992	3.5
71.08618	4.2
71.51372	2.2
73.02923	5.1
79.05508	2.0
81.03405	6.7
81.07051	5.1
82.03777	1.7
83.04972	5.2
83.08601	2.0
85.02908	68.6
87.00832	20.0
91.05488	5.2
93.07045	3.6
95.04976	3.1
95.08617	2.1
97.02894	4.4
97.06516	2.2
103.03953	21.1
105.01859	5.6
105.07037	6.9
107.04944	2.9
107.08610	2.7
109.02902	3.7
109.10164	10.9
111.04456	3.5
115.05513	1.7
117.07005	1.9
119.04939	2.1
119.08576	3.7
121.06515	3.6
121.10121	1.8
123.04430	2.1
125.06047	1.9
127.03939	6.4
127.11211	11.8
128.06287	2.6
129.01855	12.8
129.07025	3.2
130.07753	2.1
131.08595	3.0
133.10167	3.1
135.04485	2.5
137.05936	4.1
143.08582	5.5
145.06493	6.5
145.10153	7.0
147.02887	7.0
147.08054	7.2
151.07568	5.7
155.08583	5.0
157.06627	2.3
157.10181	3.8
158.07251	2.6
159.08080	7.1
159.11694	2.5
161.05995	17.8
161.09605	4.6
163.07556	2.7
167.08626	2.4
169.10063	4.2
171.02893	9.0
171.08060	3.8
172.08781	2.2
173.05977	2.5
173.09613	19.3
174.06792	3.9
175.07564	35.3
175.11084	1.8
177.05550	1.9
177.09152	4.0
179.08627	2.1
183.08047	3.1
183.11771	2.3
185.09615	6.7
186.06760	4.2
187.07578	13.1
187.11203	7.7
189.03954	15.4
189.09145	17.4
191.10701	4.8
197.09596	5.8
199.07573	7.6
199.11053	2.0
200.08345	4.6
201.09114	70.4
202.09694	2.6
203.07085	2.0
203.10701	5.1
210.10426	1.7
211.07611	3.0
211.11211	3.7
213.09084	14.0
214.09885	5.5
215.07111	3.4
215.10692	24.4
215.14058	2.1
216.11232	2.7
217.08604	2.5
225.09178	5.4
226.09898	2.4
227.07191	2.3
227.10683	6.5
227.14272	2.0
229.08600	2.5
229.12234	5.6
231.10127	2.2
239.10683	8.7
241.08575	2.7
241.12294	3.0
243.10143	17.5
243.13852	3.3
245.15416	9.9
255.10284	2.4
257.15375	100.0
258.15610	3.2
259.09760	1.9
267.10062	5.6
269.15399	7.3
285.11276	21.4
286.04733	5.8
287.05582	2.3
295.16931	6.3
299.12823	4.5
299.16379	32.5
301.07013	7.2
313.18085	3.5
323.16412	21.5
341.17484	44.7
359.18585	3.3
389.12140	4.3
445.18582	19.2
463.08707	4.6
463.19943	2.9
464.16422	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	463.1237
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
61.66534	0.3
68.99786	0.4
69.58674	1.5
69.59101	0.5
75.55898	0.3
85.02937	0.4
91.05454	0.2
91.10638	0.3
92.79118	0.3
93.40950	0.3
98.21521	0.3
105.09054	0.2
112.01598	0.3
119.04903	0.5
121.02892	1.3
127.00283	0.3
168.00555	8.4
175.07655	0.4
186.01616	1.9
191.10614	0.4
201.09155	0.4
215.14293	0.5
257.15448	0.6
258.05264	6.3
285.03897	0.4
286.04745	61.7
287.05054	1.5
301.07092	100.0
302.07455	2.5
350.63046	0.3
436.03326	0.3
453.98334	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.9
55.05498	3.0
57.03437	5.3
61.02917	4.9
67.05517	5.2
68.99798	5.9
69.03432	8.4
69.07071	2.5
70.77124	0.9
70.81809	2.1
70.82172	1.0
71.04990	1.0
73.02918	1.9
79.05492	2.1
79.38747	0.9
81.03426	4.4
81.07041	2.6
83.04967	2.8
85.02909	32.7
87.00834	13.0
89.60215	1.1
91.05493	3.0
93.07024	3.3
95.04966	4.8
95.08607	1.5
97.02882	7.1
99.04457	1.2
103.03945	11.6
105.01875	3.5
105.07040	4.3
107.04961	15.7
107.08586	2.4
109.06544	2.1
109.10167	4.1
111.04443	3.9
115.03937	2.5
117.06981	1.5
118.45287	1.0
119.08595	2.8
120.61224	1.1
121.06523	5.8
123.04432	4.0
125.06003	1.5
128.06187	1.1
129.01872	5.6
129.06990	2.3
131.08519	2.2
133.06485	1.4
135.08038	2.1
137.06021	5.1
140.34964	1.2
141.06981	1.3
142.07808	2.3
143.08542	2.5
145.06503	2.9
145.10149	5.3
147.02850	3.4
147.08080	4.2
148.39603	1.1
149.05966	2.5
149.09668	1.2
151.07567	6.6
155.08577	3.5
157.10152	2.0
158.07286	2.4
159.08061	3.0
160.08801	1.4
161.05960	9.7
161.09607	3.6
163.07536	4.0
163.11142	1.6
169.10150	2.4
171.02885	3.2
171.08061	1.8
171.11705	1.1
172.08862	1.5
173.09633	12.6
174.06757	2.1
175.07578	20.8
175.11176	3.4
176.08350	2.6
177.09134	6.3
182.07298	1.0
183.08043	2.7
185.06035	1.6
185.09612	3.9
186.06836	1.7
187.07471	5.6
187.11194	4.0
188.08366	2.0
189.03967	8.3
189.09117	14.0
191.10680	44.5
195.08037	1.5
197.09613	2.3
199.07510	7.2
199.11195	1.8
200.08279	2.2
201.09105	38.3
201.10992	1.9
201.12738	1.7
202.09845	1.3
203.10634	1.9
205.12202	1.7
211.11195	2.2
212.08299	2.8
213.09108	9.6
213.12735	1.2
214.09839	4.9
215.10698	17.5
217.08647	1.5
217.12251	13.1
224.08372	1.7
225.09117	2.8
225.12875	1.5
225.16365	1.0
226.09784	1.2
227.10599	6.3
227.14296	2.4
228.07941	1.2
228.11432	2.7
229.08690	1.9
229.12254	23.7
229.15947	3.5
231.10147	1.5
231.13805	7.8
238.10112	1.0
239.10663	4.5
240.11560	1.7
241.12303	3.1
243.10217	6.5
243.13803	16.1
245.15405	9.2
253.12292	2.2
255.13864	6.7
257.15356	62.7
258.05249	8.4
258.15814	1.4
265.12228	1.8
267.10220	6.1
267.13779	2.9
269.12564	1.1
269.15338	5.7
271.16962	1.0
281.11771	1.5
281.15308	1.9
285.11221	9.5
285.14322	1.9
286.04727	55.0
287.05164	1.5
288.14645	1.2
295.16782	7.0
299.13104	2.2
299.16367	14.8
301.07065	100.0
302.07809	2.0
305.15262	1.8
323.16388	14.5
341.17450	17.9
345.67917	1.1
359.18555	3.0
389.12366	2.9
401.19534	1.8
427.17557	3.1
445.18600	15.9
463.19662	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	462.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71113	1.1
53.03955	10.4
55.01860	3.5
55.05506	2.0
56.05035	1.1
57.03449	1.5
59.04992	4.3
60.04512	1.4
61.02904	3.5
62.06078	2.9
67.05512	1.6
69.03442	5.7
69.07077	6.4
69.48026	6.6
70.06596	2.5
71.04997	14.2
72.08143	2.9
73.02898	1.7
79.05489	3.0
81.03410	1.8
81.07072	7.2
84.04509	1.5
85.02911	6.1
86.06075	52.4
86.09692	3.2
87.04469	8.1
88.04001	2.1
91.05466	2.2
93.07019	2.0
95.08609	2.0
97.02863	3.0
97.06515	1.6
98.06036	2.1
98.09683	4.1
98.20756	1.6
99.04465	2.2
100.07603	1.4
100.26472	1.1
101.02371	5.0
104.07137	1.2
105.05484	3.4
105.07026	1.4
107.08604	2.2
108.08148	1.9
109.02905	1.4
109.06521	10.4
111.08086	7.7
113.06065	1.1
115.03930	14.8
116.10747	15.9
121.06416	1.5
121.08903	1.4
121.10181	1.4
122.48563	1.2
124.11320	1.8
126.05521	1.6
127.03911	1.8
133.04976	10.3
133.10124	1.5
134.09659	3.0
136.07545	1.6
137.05991	7.9
138.05475	1.6
138.09088	1.3
140.10669	1.3
142.08612	1.6
143.08601	1.1
145.04999	1.5
149.09639	1.3
151.07487	1.8
152.10710	3.2
161.09647	1.8
165.69887	1.1
170.11790	9.6
179.10803	1.4
180.10187	4.1
191.10699	3.8
192.11044	1.6
197.11755	6.2
198.11270	100.0
216.12355	8.4
220.08194	4.5
229.12263	1.9
230.12619	1.2
244.14128	1.3
269.10184	4.1
330.15515	12.3
348.16525	86.8
349.16861	1.7
376.02597	1.1
390.32587	1.2
444.22159	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	462.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03743	1.0
53.03955	10.4
55.01871	2.8
55.05509	2.0
59.04993	3.5
61.02929	1.9
62.06078	3.0
69.03419	3.1
69.07076	5.0
69.56695	1.1
70.02943	1.6
70.06578	2.0
71.04999	15.3
71.50963	1.1
72.08151	1.1
73.02913	2.0
79.05502	2.4
81.07077	5.0
84.04481	1.9
85.02898	3.8
86.06079	53.9
86.09709	1.2
87.04474	7.1
88.04012	1.8
91.05474	1.8
93.07020	1.8
95.08585	1.4
96.08131	2.9
97.02902	2.8
97.06515	1.4
97.56362	1.1
98.06046	1.7
98.09736	5.3
99.04449	2.7
100.07627	1.4
101.02404	4.9
105.05489	2.9
107.08581	2.4
108.08105	2.7
108.22998	1.1
109.06547	10.3
111.08103	7.2
113.06001	1.4
115.03938	15.3
116.10733	17.2
121.08933	1.6
124.11163	1.4
126.05511	1.9
133.04971	10.8
133.10126	1.6
134.09682	2.5
137.05978	5.8
140.10715	1.3
141.09117	1.0
142.08636	2.2
145.04939	1.5
148.04829	1.0
152.10703	2.8
170.11763	11.2
179.10626	1.4
180.10213	3.8
187.05972	1.3
192.11023	1.4
197.11736	4.4
198.11276	100.0
199.11444	1.2
216.12358	9.7
220.08139	6.9
232.17975	1.0
267.70187	1.0
269.10190	3.9
278.66745	0.9
302.16241	1.3
330.15527	10.7
348.16559	92.7
349.16705	2.1
419.90927	1.0
429.64847	1.1
444.22092	5.1
461.98984	1.3
462.17612	1.8
462.23663	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	462.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	9.4
55.01865	3.5
55.05513	2.8
56.05021	1.2
59.05003	3.1
61.02927	1.9
62.06084	4.0
62.40327	1.0
66.44837	1.1
67.05507	1.5
67.61432	1.0
69.03434	3.1
69.07071	9.0
69.27062	8.3
69.27466	2.0
70.02971	1.5
70.06558	1.3
71.04999	16.6
72.08163	2.7
72.86134	1.0
73.02927	2.2
74.06086	1.5
74.09732	1.7
77.55241	1.1
79.05498	1.9
81.07050	8.5
84.04489	1.5
84.64485	1.0
85.02902	5.8
86.06071	54.4
86.09714	1.6
87.04466	6.2
88.04000	1.6
91.05476	2.2
93.07082	2.5
96.08138	3.2
97.02885	3.1
97.06532	2.9
97.57333	1.1
98.09697	3.2
99.04453	1.9
101.02381	4.7
105.05509	4.2
107.08625	1.9
108.08148	2.3
108.08947	1.5
109.06519	10.8
111.08089	6.3
114.09172	1.3
115.03928	12.4
116.10746	16.6
120.08178	1.5
122.37854	1.3
129.07079	1.2
133.04985	10.9
134.09673	4.1
135.08153	1.2
137.05980	7.8
138.09142	1.3
141.09045	1.6
142.08713	1.6
145.10181	1.1
152.10699	3.4
158.11801	2.1
170.11798	12.2
172.29509	1.2
180.10265	4.0
193.04962	1.4
198.11261	100.0
199.11594	1.7
211.04253	1.3
212.16493	1.6
216.12341	9.0
220.08162	6.8
269.10202	4.2
282.14130	1.3
302.16263	1.4
330.15573	7.3
348.16534	76.8
349.16580	1.4
360.43103	1.2
444.22299	6.3
462.18597	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.0
55.01863	6.3
55.05519	27.2
57.03424	7.5
59.04999	3.1
67.05180	5.5
67.05511	69.8
68.88598	3.2
69.03423	8.7
69.07076	25.1
71.05017	16.5
71.11022	3.2
71.11353	3.5
78.95157	3.5
79.05502	46.1
81.03416	10.6
81.07061	56.0
83.04978	8.5
83.08630	17.8
85.06507	4.1
91.05486	56.9
93.07059	41.3
95.04970	10.5
95.08615	27.1
97.06519	7.0
97.10168	5.9
103.05470	4.5
105.07045	49.9
107.04964	9.2
107.08601	33.3
109.06506	11.8
109.10164	38.5
111.08091	8.2
117.07037	30.2
119.08590	37.1
121.06499	16.6
121.10133	14.0
123.08057	8.0
123.11674	3.7
125.09702	6.4
127.11215	30.4
128.06244	8.0
128.23282	3.6
129.07043	25.5
131.04832	3.7
131.08586	39.1
132.53519	3.3
133.06471	9.7
133.10117	20.0
135.08055	11.8
135.11655	4.8
137.05960	11.4
141.07021	20.2
142.07692	4.9
142.45546	3.9
143.08569	26.9
145.06499	17.5
145.10152	24.1
147.08012	17.1
147.11693	13.7
149.05995	4.9
149.09641	7.9
149.13252	7.3
151.07576	17.0
151.11241	3.5
155.08560	17.6
157.10117	18.8
159.08052	17.4
159.11697	14.3
161.05994	14.7
161.09680	11.2
163.07518	7.8
163.11226	4.9
165.06964	5.9
165.09131	3.9
167.08617	4.0
169.10130	16.7
171.08046	6.1
171.11710	11.9
173.09651	19.0
173.13313	6.3
175.07591	22.5
175.11128	5.8
177.09073	9.0
181.10120	9.6
183.11685	13.0
185.09616	8.3
185.13220	5.4
187.07501	14.0
187.11205	10.5
187.14786	3.4
189.09064	10.8
189.12704	4.0
191.10670	4.3
195.11708	6.8
197.09610	6.8
197.13289	6.0
199.07393	3.3
199.11185	7.9
199.15070	3.4
201.09114	12.8
201.12827	6.7
203.10582	4.9
209.13245	6.4
211.11168	9.2
213.09225	6.7
213.12755	7.7
215.10654	5.2
215.14375	8.3
217.15903	6.5
221.13350	5.3
225.12740	5.5
227.10738	6.4
227.14354	4.3
229.12244	18.7
229.15956	3.4
231.13788	14.3
235.14938	5.2
237.08934	3.5
239.14450	4.2
241.15831	4.5
243.13853	5.9
245.15378	4.5
253.15817	4.5
255.13774	4.7
257.15372	7.3
258.89053	3.5
271.16815	6.9
279.10089	4.6
287.16397	5.7
307.13464	3.7
317.17621	4.7
325.17926	7.9
333.22159	9.0
341.24734	6.6
343.19083	13.0
351.23190	23.1
369.24283	33.2
381.24057	17.3
387.25186	12.7
392.03317	4.0
399.25381	100.0
405.20569	7.1
415.28110	3.7
425.26743	7.3
443.28009	40.3
455.79691	4.7
461.27618	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	461.2691
Annotation	Kazinol H
Peak:m/z	Relative Intensity
55.01857	1.8
55.05499	3.8
67.05495	8.4
69.03421	5.5
69.07055	4.8
69.75315	8.6
71.04700	1.2
71.04995	11.9
74.02992	1.2
79.05478	4.2
81.03436	1.4
81.07072	7.6
83.01326	1.9
83.08636	1.6
91.05489	7.9
93.07033	5.7
95.04993	2.5
95.08606	6.5
98.20853	2.6
98.98428	1.4
105.07030	7.9
107.04941	1.4
107.08590	5.8
108.28806	1.5
109.06525	3.1
109.10148	4.8
117.07024	3.4
119.04940	6.1
119.08567	5.5
121.06506	4.6
121.10165	3.4
121.64176	1.3
123.04450	1.6
123.08096	2.0
127.11197	24.2
128.06233	2.5
129.06972	5.1
131.08546	5.1
133.06529	3.1
133.10115	6.5
135.08060	2.9
137.05995	10.0
142.07771	2.8
143.08601	12.7
145.06514	2.2
145.10129	7.2
145.40982	1.4
147.08078	4.8
147.11768	1.5
149.09717	3.0
151.07533	7.0
153.05444	1.7
155.08644	3.3
157.06438	2.5
157.10114	4.8
158.07301	2.7
159.08009	10.2
159.11714	1.8
161.05962	7.1
161.09616	14.6
163.07562	3.4
163.11256	1.9
165.07028	1.7
167.08455	1.9
169.10121	2.3
170.10910	5.3
171.08093	9.8
171.11671	3.2
172.08746	3.3
173.09637	16.4
173.13252	1.4
174.06798	3.8
175.07561	24.1
175.11154	3.5
175.14781	1.6
177.09143	7.0
183.11696	3.4
185.09622	4.3
185.13258	7.0
187.07547	15.4
187.11189	3.7
188.08293	3.6
189.09099	21.8
189.12756	3.9
191.10689	4.2
195.11717	1.4
196.08939	1.4
197.09576	2.9
198.10402	1.8
199.07576	3.0
199.11191	13.6
201.09138	3.5
201.12804	5.9
202.09857	1.8
203.07002	2.6
203.10690	5.3
203.14317	8.4
208.08859	1.7
211.11214	3.6
212.11926	2.5
213.09187	3.3
213.12727	18.7
214.09903	1.3
214.13564	5.2
215.10733	5.8
215.14325	2.7
216.15123	6.8
217.12300	3.8
223.11060	1.6
227.10730	3.9
228.11458	3.1
229.12231	15.8
231.13809	64.0
232.14377	2.2
241.12106	2.6
243.13800	2.0
245.11690	4.9
245.15437	2.8
247.13284	5.2
249.12653	1.7
283.16919	3.1
293.11694	4.3
295.41739	1.4
319.13394	3.0
332.14297	2.2
335.16388	5.3
354.86398	1.6
375.19632	3.9
379.18921	3.3
405.20560	3.3
419.22153	3.0
443.26270	4.8
461.26880	100.0
462.27414	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	461.29
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34825	4.4
51.47371	4.5
52.91411	4.0
53.03962	10.7
55.01874	5.7
55.05512	41.4
57.03437	8.2
58.81055	6.1
65.03948	5.2
67.05509	79.9
68.12542	5.4
69.03428	11.7
69.07084	31.6
69.39671	4.3
69.79529	10.9
69.79945	16.7
71.04987	22.0
79.05497	63.0
81.03415	11.7
81.07068	76.0
83.04987	13.9
83.08630	25.7
89.92177	4.5
91.05486	85.7
93.07048	67.8
95.04968	20.1
95.08617	49.2
97.06529	15.7
97.10146	9.9
98.21477	9.4
105.07040	76.0
107.04964	11.1
107.08599	47.1
109.06535	11.6
109.10169	38.5
111.08092	7.7
115.05415	11.0
117.07014	39.9
119.04964	10.1
119.08598	48.4
121.06505	18.6
121.10162	19.2
123.08098	8.3
127.11205	17.8
128.06212	11.0
129.07021	55.3
131.04863	4.7
131.08556	75.5
133.06520	12.4
133.10135	27.6
135.08018	15.2
135.11673	15.0
137.05988	13.6
141.07001	18.4
142.07790	6.7
143.08549	49.0
145.06477	14.6
145.10156	37.4
147.08069	21.1
147.11674	12.8
148.12288	4.7
149.09573	13.0
149.56902	5.5
151.07559	25.1
151.11169	4.7
155.05948	6.1
155.08548	35.1
157.10144	37.9
159.08060	13.2
159.11678	25.1
161.06044	9.8
161.09627	18.6
163.07542	6.8
163.11206	8.1
167.08574	10.1
169.10121	22.3
171.08002	9.6
171.11726	16.8
173.09639	9.9
173.13295	9.0
175.07553	18.8
175.11253	7.0
177.09059	11.3
179.08644	10.7
181.10159	17.4
183.11748	11.1
185.09615	8.8
185.13301	13.6
187.07605	18.2
187.11215	11.4
187.14815	5.7
189.09148	26.5
191.10669	13.1
193.10141	8.5
193.12173	4.8
195.11667	11.6
197.09648	11.2
197.13278	13.0
199.07547	5.2
199.11284	7.7
199.14885	10.1
201.09186	12.5
201.12822	6.1
205.12254	6.5
207.11717	10.0
209.13295	11.5
211.11209	6.6
211.14737	6.2
213.12758	7.2
215.10686	13.6
215.14296	13.5
217.12317	7.3
217.16013	5.6
221.13348	7.8
222.13837	5.1
223.14854	8.2
225.12741	10.0
227.10680	8.2
227.14352	6.2
229.12317	23.4
231.13785	18.3
233.15437	8.8
235.14886	7.0
239.14363	8.7
243.13776	8.0
245.15465	13.5
271.16882	7.9
283.16852	9.8
285.18454	6.5
294.33716	5.3
323.23392	7.4
325.18253	6.4
333.22058	10.4
341.24811	11.3
351.23111	41.6
369.24207	46.8
381.24216	8.4
387.25256	18.3
399.25259	36.7
401.14233	5.6
405.20584	7.2
414.22525	7.8
438.19104	6.6
443.27997	55.1
461.27814	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.01861	3.8
55.05513	12.3
57.03419	5.9
59.83968	2.2
65.03930	2.9
67.05173	3.0
67.05507	33.0
69.03436	12.8
69.07072	12.7
69.63475	12.8
71.05001	21.7
79.05506	27.9
81.03403	9.3
81.07066	25.6
83.01332	3.7
83.04951	4.8
83.08591	5.8
85.02894	2.7
91.05491	23.4
93.06567	2.2
93.07050	25.0
95.01283	6.1
95.04946	9.3
95.08617	16.7
97.02859	6.1
97.06512	3.6
97.10162	3.1
101.26955	2.2
105.07050	23.8
107.04965	4.6
107.08626	16.3
109.02878	4.3
109.06489	6.5
109.10175	16.1
111.08065	2.6
111.39822	2.0
112.50675	2.2
115.05434	4.8
117.07025	10.7
119.04942	6.4
119.08605	18.7
121.06489	11.6
121.10087	8.2
123.04454	5.5
123.08015	3.9
125.09592	2.9
127.10330	3.0
127.11204	50.3
128.06175	5.9
129.06990	10.4
130.07767	3.1
131.08574	14.3
133.06461	5.2
133.10101	9.5
135.08014	6.4
135.11635	6.8
137.05992	14.1
141.06932	4.8
142.07771	3.5
143.08571	16.6
145.06485	9.3
145.10141	14.9
147.08029	6.5
147.11661	9.4
149.05887	3.3
151.07529	10.0
153.05469	5.0
153.06886	3.6
155.08546	6.3
156.09325	5.3
157.10069	8.3
159.08093	17.7
159.11671	5.8
160.08777	3.9
161.05991	12.7
161.09648	13.8
161.13348	3.3
162.06767	3.4
163.07550	4.5
163.11179	2.6
163.93126	2.1
164.30986	2.1
165.08978	2.4
167.08565	2.7
169.06572	2.5
169.10042	6.0
171.08063	17.3
171.11647	9.2
172.08774	4.6
173.09639	23.1
173.13232	5.6
174.06747	6.2
174.10359	3.9
175.07539	29.6
175.11095	6.3
175.14838	2.2
177.05447	2.4
177.09125	15.3
181.10094	5.7
183.08029	4.3
183.11679	5.7
184.08762	3.6
185.09610	5.9
185.13232	6.0
186.10313	4.9
187.07524	14.2
187.11111	4.9
188.08258	6.3
188.11913	2.9
189.09120	31.3
189.12712	4.3
190.06122	2.1
191.10632	12.4
195.11592	3.3
197.09564	6.6
197.13248	3.6
198.10394	2.8
199.11223	18.0
201.09030	5.9
201.12779	17.2
202.09781	4.3
203.07005	3.7
203.10597	5.3
203.14240	5.8
207.13907	3.2
211.11113	5.5
212.08133	3.1
212.11787	3.6
213.09137	5.2
213.12796	10.9
214.13431	5.4
215.10614	8.0
215.14305	4.0
216.15038	7.6
217.12204	7.5
227.10725	18.8
227.14268	5.6
228.11398	2.7
229.10197	3.0
229.12276	46.1
230.12593	2.6
231.13826	53.9
241.12109	4.7
243.13779	3.7
245.11620	5.1
245.15369	17.8
247.13206	3.6
271.16821	2.4
275.10803	3.0
281.15372	4.8
291.13593	2.4
292.10892	2.1
293.11829	3.5
319.13309	4.9
333.14798	3.7
335.16275	4.6
335.25610	2.9
341.24609	2.8
351.23108	4.0
361.17764	3.4
369.24240	13.3
375.19376	9.7
379.18893	5.0
387.24930	3.3
391.08160	2.3
405.20453	8.4
433.27185	2.7
443.27649	14.1
461.27002	100.0
462.27176	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.8
56.37558	0.6
65.57684	0.7
67.05494	1.4
67.89798	0.6
69.03433	1.2
70.06584	1.2
71.51109	0.5
79.05483	1.0
81.03424	0.9
81.07087	0.9
81.43404	0.6
83.04996	2.8
83.08605	0.7
85.02907	0.7
85.20429	0.6
93.07072	0.8
95.04992	0.9
95.08593	0.9
97.06533	1.2
98.24337	0.6
105.07045	0.8
109.02876	0.6
121.06496	0.9
127.03898	1.5
137.06059	0.6
137.09616	0.7
139.27924	0.7
143.08580	0.7
164.61087	0.7
165.09204	1.0
169.04802	0.6
185.04192	0.6
196.10442	0.9
213.14601	11.0
241.14136	6.0
255.15672	0.7
264.60477	0.6
341.19608	0.9
357.18903	2.4
371.89804	0.6
375.19937	22.4
388.25720	0.7
417.20947	52.6
418.21277	1.6
461.19962	100.0
462.20416	1.8
470.19324	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2689
Annotation	Kazinol H
Peak:m/z	Relative Intensity
53.03961	8.5
55.01873	8.4
55.05508	18.2
57.03430	6.8
65.03938	5.5
66.32562	3.1
67.05511	46.6
69.03439	13.8
69.07063	19.9
69.65160	6.9
69.65572	14.7
71.04990	8.7
76.31474	3.5
79.05497	31.4
80.19108	4.1
81.03414	13.5
81.07066	43.1
83.01355	6.3
83.04953	8.3
83.08632	6.9
86.26417	3.3
91.05499	40.0
93.07037	32.5
95.01312	9.0
95.04961	10.4
95.08618	25.1
97.02879	7.7
97.06538	4.4
97.10176	5.8
98.20742	3.5
101.63526	3.3
105.07037	41.3
107.04978	9.7
107.08605	25.5
109.06532	10.7
109.10165	34.3
115.05466	4.4
116.75529	3.2
117.07052	18.5
119.04928	10.1
119.08607	25.8
121.06531	15.3
121.10136	15.7
122.61743	3.5
123.04398	5.0
123.08093	5.6
127.11175	5.7
128.06236	7.5
129.07008	11.4
131.08589	23.8
133.10135	17.5
135.08044	12.7
135.11736	7.9
137.06015	18.3
141.07037	4.6
142.07790	9.4
143.08554	27.3
145.06534	11.8
145.10127	25.1
147.08080	13.0
147.11679	12.2
149.09653	5.9
151.07559	16.4
155.08562	11.8
156.09325	4.1
157.06491	5.5
157.10176	14.5
158.07283	4.4
159.08069	18.2
159.11688	10.2
161.06000	10.0
161.09637	25.7
161.13293	6.6
163.07584	14.5
163.11208	6.3
165.09026	4.2
167.08496	4.3
169.06474	3.8
169.10127	7.6
171.08092	14.1
171.11749	8.0
172.08873	4.4
173.05934	3.6
173.09618	26.5
173.13332	8.6
174.06908	6.8
175.07562	51.6
175.11250	13.9
175.14877	4.9
176.08258	4.4
177.09091	25.5
179.08554	4.2
181.10098	9.8
183.11757	8.2
185.09610	12.9
185.13249	6.4
187.07591	20.7
187.11188	8.1
188.08379	6.1
189.09157	37.9
189.12703	4.4
191.10669	34.6
193.10201	5.2
197.09502	5.5
197.13138	4.7
199.11237	13.7
200.08310	5.7
201.09172	10.3
201.12801	8.6
202.09805	6.8
203.06898	4.2
203.10674	9.1
203.14345	10.1
209.09648	4.4
209.13237	5.9
211.11230	10.3
213.09146	11.2
213.12767	12.9
214.09950	3.8
214.13383	4.0
215.10638	18.0
215.14409	4.1
216.15089	4.2
217.12187	17.6
225.12756	4.6
227.10631	8.5
227.14311	7.7
229.12268	30.1
229.15781	4.5
231.13824	65.7
236.81677	4.2
239.10536	3.9
241.12274	9.0
243.13838	10.4
245.11674	6.2
245.15370	21.4
255.13702	4.0
257.15430	7.5
267.13654	4.0
269.15244	4.9
271.17023	9.8
272.17722	9.0
321.14691	3.7
341.24979	4.4
351.23260	7.0
369.24445	19.3
379.19330	6.7
387.25183	11.1
405.20514	4.8
433.27591	12.5
443.28113	28.6
461.27295	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04556	0.6
67.02976	0.3
69.03435	0.5
69.71393	1.6
70.06591	0.4
73.02892	0.6
85.02901	1.2
86.09679	0.5
94.14501	0.3
97.02884	0.6
98.97590	0.3
110.03516	1.7
116.98559	0.3
120.08129	0.5
122.06042	0.4
127.03943	0.4
128.04582	1.4
129.10188	0.5
133.04932	0.5
135.03027	0.6
140.07018	0.6
149.04590	7.9
153.04060	0.4
166.07251	100.0
167.05653	13.2
167.07236	0.7
167.07585	0.6
167.74062	0.3
190.28255	0.3
194.08121	0.3
207.37024	0.3
216.01726	0.3
247.15123	0.3
359.74081	0.4
360.11496	0.4
460.16595	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.3
55.01867	6.5
57.03424	3.8
60.04520	1.5
61.02931	3.4
68.99792	2.3
69.03098	1.7
69.03436	25.2
70.22058	3.3
70.22438	3.1
71.05012	3.3
73.02902	4.8
77.30067	1.4
81.02993	2.0
81.03430	26.1
82.02888	1.7
82.96293	1.5
85.02913	63.5
85.43459	1.6
87.00838	21.6
97.02901	25.7
99.04481	11.6
103.05467	4.9
105.01876	22.8
105.07002	1.9
107.04948	5.8
108.04498	10.0
109.02896	26.6
126.05492	3.6
127.03928	50.4
129.01822	2.7
135.08086	3.7
139.03900	4.6
145.04953	24.1
147.02902	2.5
154.06262	23.3
159.02887	11.8
163.07559	24.1
167.07014	2.0
172.76157	1.6
195.10187	100.0
213.03979	2.3
230.06522	4.0
231.04979	10.8
248.07632	5.1
316.04581	1.9
319.15680	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.9
55.01862	5.4
55.05504	4.1
57.03441	9.6
57.03668	1.7
61.02914	3.5
65.03928	4.2
67.05489	6.6
67.05835	1.5
68.99796	11.0
69.03435	41.9
71.01353	3.1
71.04988	10.2
71.51241	1.8
73.02930	3.4
79.05484	6.1
81.02931	2.6
81.03422	62.6
81.07037	5.5
83.04996	9.5
85.02911	77.6
87.00833	16.9
87.08641	1.8
91.05473	5.5
93.07032	5.4
95.04970	5.0
95.08646	2.8
97.02905	15.6
99.04462	19.0
103.03954	3.1
105.01857	3.7
105.07030	4.1
107.04964	4.2
107.08586	2.7
107.85174	1.8
109.02888	40.1
109.06507	2.1
111.04431	5.2
117.06990	3.3
119.08619	3.5
121.06495	2.7
123.04432	6.0
125.02390	1.8
127.03929	100.0
129.01842	4.3
129.07019	2.0
131.08595	4.3
133.10239	1.8
135.04457	3.8
135.08022	2.0
145.04939	5.2
145.10118	3.5
147.02847	1.9
149.02379	15.4
151.03906	5.3
163.03923	12.7
163.05022	2.1
169.10094	2.1
171.02890	9.7
187.06004	3.6
189.03952	10.4
193.04997	14.0
207.06558	20.4
213.03941	15.0
217.04973	1.8
217.15729	2.0
231.04962	3.1
235.06035	2.1
237.07550	11.4
339.07007	6.0
369.24271	3.2
417.11328	2.7
443.07986	3.6
443.13333	3.7
443.27667	3.4
461.08963	3.7
461.28171	7.8
469.54221	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	461.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23718	1.5
50.43599	2.0
53.03927	4.7
55.01873	2.7
55.05508	4.6
57.03443	4.4
57.07067	2.4
61.38185	1.9
67.05495	5.3
68.99792	4.9
69.03440	21.0
71.04982	6.6
71.50417	2.4
79.05500	3.5
81.03415	17.0
81.07066	4.3
83.05012	3.3
85.02911	27.5
86.09710	13.3
87.00836	7.6
87.04523	1.7
91.05489	4.4
93.07027	3.4
95.04434	1.9
95.04966	9.1
95.08593	4.8
97.02907	11.8
99.04465	4.8
105.01835	2.7
105.07039	4.2
107.08598	5.6
109.02889	14.0
109.06554	2.4
112.99389	2.1
116.79705	1.7
121.06537	13.6
121.10192	4.9
123.04474	4.8
123.08080	2.3
123.25775	2.2
127.03913	24.8
127.11235	2.5
129.01904	3.4
131.08543	2.7
133.10097	2.0
135.08009	2.7
137.06023	10.6
142.07747	2.2
143.08594	3.9
145.04935	2.1
145.06494	2.7
145.10123	3.9
147.07983	2.1
149.05943	4.9
149.09679	2.3
151.07565	10.6
155.08563	3.7
158.07260	3.1
159.07988	2.5
161.05974	4.4
162.06792	2.3
163.07565	8.3
163.11180	2.4
167.07002	4.1
171.08054	2.8
173.09619	5.3
174.06824	2.9
175.07558	11.9
175.11258	2.9
176.08418	3.4
177.09175	2.5
177.16336	4.7
184.09105	1.9
187.07567	4.5
187.11163	2.4
188.08344	2.5
189.03955	3.7
189.09105	8.7
191.10681	100.0
195.08104	2.4
196.04269	2.7
198.06859	3.4
199.07524	5.7
201.09190	7.0
203.10640	4.6
212.08328	4.1
213.03979	3.2
213.09129	11.9
213.12712	2.3
214.09914	6.7
215.07056	7.0
215.10686	16.4
217.08426	2.6
217.12329	2.5
225.12762	4.6
226.09872	3.4
227.10719	8.1
228.11455	2.4
229.08730	3.5
229.12260	63.1
231.05171	2.5
231.13680	9.3
232.01816	2.0
238.32846	1.9
239.10698	3.3
241.08636	7.2
241.12245	9.4
243.10091	2.3
243.13809	33.3
245.18834	2.4
247.13260	2.2
253.06514	3.6
253.12300	6.4
255.10223	2.7
255.13843	9.5
256.62897	2.3
257.11792	4.3
259.09622	3.4
266.09183	2.4
267.13794	2.6
269.11765	3.6
271.13309	4.5
281.11688	3.1
285.14929	4.2
293.15442	2.4
297.15018	4.8
299.12900	10.9
302.82397	2.2
311.16409	2.9
321.14978	5.4
327.15826	5.5
339.16010	22.8
357.17029	13.3
375.17969	3.9
399.17899	2.6
403.13776	3.8
417.19135	2.8
425.16394	2.7
443.17719	5.5
461.18369	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	459.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90250	1.7
67.05498	2.4
67.41726	1.9
69.03432	4.2
69.36401	9.8
69.36827	6.7
71.04974	2.4
81.03427	3.1
81.07059	11.0
85.02908	9.5
87.00822	6.1
91.05476	5.2
91.20320	1.8
93.07031	5.4
95.08613	14.9
97.02897	2.4
99.08088	4.3
105.01817	2.7
105.07038	12.4
107.08588	10.9
109.02855	2.4
109.06541	3.1
119.08589	37.6
127.03919	5.2
133.10133	52.4
135.11699	11.9
147.11679	2.7
175.14835	100.0
176.15193	2.1
193.16014	10.2
211.16917	2.2
219.61325	1.8
245.19568	2.0
459.29053	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	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.3
58.54556	1.3
69.03451	3.3
69.07056	2.7
69.30326	7.0
69.30754	5.0
79.05505	3.3
81.03418	3.4
81.07063	7.8
85.02911	9.3
87.00826	5.3
91.05480	6.0
93.07055	4.4
95.08606	13.2
97.02906	4.1
98.21557	3.0
99.08089	3.0
105.01853	2.0
105.07042	11.4
107.08604	9.7
109.02861	2.6
109.06514	1.5
109.10152	2.0
113.09659	1.4
117.07014	1.5
118.22964	1.6
119.08583	40.4
127.03919	7.3
131.08565	1.7
133.10135	54.0
135.11719	11.2
137.60379	1.6
145.05011	1.8
159.02863	2.7
175.14832	100.0
176.15193	2.8
191.14275	2.0
193.15959	7.4
211.16913	3.5
216.63242	1.3
312.67944	1.6
314.25684	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.3
55.05511	8.1
57.07068	1.7
59.04999	1.9
67.05502	14.3
69.03424	8.3
69.07067	13.2
69.44810	8.6
69.45212	2.4
71.04995	4.9
79.05483	4.1
81.03409	4.5
81.07065	16.5
83.04984	9.8
83.08612	7.9
85.02889	9.7
85.06541	3.5
87.00823	3.9
91.05474	3.9
93.07061	9.8
95.04977	1.4
95.08615	33.1
97.02913	3.6
97.06525	1.9
97.10175	2.4
99.08106	2.7
105.07043	7.7
107.08600	21.2
109.02886	2.4
109.06523	8.2
109.10164	92.9
111.08057	2.3
113.09594	2.2
119.08586	37.9
121.10158	13.3
123.08067	13.5
123.11702	6.5
125.09629	1.9
127.03905	5.3
133.10143	21.3
135.11699	100.0
136.12070	1.9
137.09593	13.4
139.11134	2.5
143.08730	1.5
145.04900	1.8
149.13239	6.3
151.11201	9.0
151.14822	12.0
153.12732	3.6
165.16374	3.4
175.14835	44.8
193.15892	68.5
194.16156	1.4
211.16940	55.4
250.87233	1.6
275.76596	1.4
334.89957	1.5
423.39639	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42550	3.2
53.97712	3.2
55.05508	7.3
67.05494	12.8
69.03428	7.9
69.07059	12.3
69.63402	8.3
69.63812	12.9
79.05482	4.3
80.66315	3.5
81.03423	5.1
81.07061	22.8
82.08214	3.7
83.04990	10.1
83.08610	5.2
85.02890	11.2
85.06538	6.7
93.07043	6.9
95.08604	32.2
98.21486	8.1
99.08070	4.4
101.80567	4.1
105.07034	5.1
107.08593	21.2
109.02878	3.9
109.06529	14.0
109.10162	100.0
119.08574	31.3
121.10113	13.0
123.08066	16.9
123.11721	8.8
127.03853	4.7
133.10161	18.7
135.11699	72.9
137.09627	18.9
149.13281	5.4
151.11156	8.9
151.14844	10.1
169.87854	3.9
175.14824	33.1
193.15883	55.5
211.16942	87.0
211.18797	3.3
211.65564	3.5
222.38428	3.9
235.38255	3.7
292.31799	4.1
420.70328	4.5
481.60629	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.368
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
52.51834	3.5
53.21994	3.2
53.32901	2.9
53.77118	3.1
55.05521	6.3
57.07067	6.0
62.35988	3.8
62.50470	3.2
63.87812	3.3
67.05512	21.7
69.07066	10.1
71.52176	3.2
72.45669	2.8
79.05485	13.1
81.07066	30.7
83.08602	5.9
87.07865	3.3
90.17520	3.2
91.05475	9.9
93.07075	24.8
95.08616	65.8
105.07056	19.7
107.08617	44.6
109.10177	33.9
119.08591	26.8
121.10163	36.5
123.07971	4.5
123.11708	11.7
128.07304	3.6
133.10144	18.3
135.11734	21.6
137.13216	4.4
145.10173	7.2
147.11681	21.7
149.13252	15.2
159.11687	4.5
161.13281	15.6
163.14848	31.0
175.14848	12.4
177.12823	3.4
177.16389	11.7
179.14272	5.1
187.14804	6.1
189.16344	20.3
191.17900	19.2
201.16217	4.0
203.17990	29.2
205.19501	6.8
207.17480	6.1
215.17871	3.6
217.19542	8.1
219.17548	4.3
221.18886	3.6
231.21095	11.2
233.22580	4.5
249.18419	4.3
297.25729	8.9
306.79135	4.1
362.13757	3.6
393.35117	7.3
411.36252	100.0
426.82312	3.3
457.34882	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	459.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.01873	5.2
55.05514	27.2
57.03416	1.5
59.05008	3.3
61.02929	2.4
67.05183	1.5
67.05509	15.2
68.99751	1.4
69.03426	10.7
69.07074	15.5
70.06599	1.8
70.84647	4.1
71.04983	3.2
73.02932	1.9
78.42179	1.2
79.05495	7.4
81.03435	7.0
81.07059	19.7
83.04988	100.0
83.08630	4.0
85.02913	16.8
85.06567	1.6
86.09724	1.8
87.00854	7.0
87.12083	1.3
91.05482	3.9
91.99849	1.5
93.07053	12.7
94.43407	1.4
95.04971	7.8
95.08608	16.2
97.02885	5.7
97.06523	2.8
99.04453	6.6
100.11671	1.5
105.01892	7.8
105.07030	4.8
107.08599	13.8
109.02876	6.7
109.06514	12.0
109.09476	2.4
109.10170	31.4
111.08096	7.2
117.07027	1.6
119.08600	7.8
121.10152	3.6
123.08080	5.4
123.11745	7.1
125.05979	1.4
125.09621	4.8
127.03925	13.2
133.10147	11.2
135.08089	2.3
135.11702	18.7
137.09628	50.9
137.13258	2.7
143.34979	1.5
145.04980	3.6
147.11647	1.5
149.05927	1.9
149.09592	1.5
149.13243	2.1
151.11166	4.0
155.10678	10.0
159.02917	2.6
175.14824	14.0
185.19876	1.6
193.15900	70.8
194.15921	1.7
204.05708	1.8
211.16983	3.0
231.05072	3.1
363.71698	1.5
459.17551	2.6
459.24905	1.5
459.35001	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	457.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90975	6.4
53.03945	7.2
55.05500	19.0
57.03437	5.4
58.48028	5.6
58.99592	17.7
63.51447	5.0
66.79739	5.5
67.05511	24.8
68.67432	4.8
69.03427	25.5
69.07059	16.7
71.04996	7.7
71.08650	7.4
71.12160	11.8
73.94905	5.4
79.05513	31.5
81.03419	25.8
81.07063	37.3
83.04978	13.7
84.04465	6.2
85.02908	42.4
86.99076	11.2
87.00851	12.5
91.05497	34.8
93.07044	40.2
95.04983	21.6
95.08614	32.1
97.02897	18.4
97.06552	16.6
99.04494	6.2
100.11241	5.4
105.01898	12.7
105.07045	53.2
107.04949	7.1
107.08602	35.1
109.02882	10.6
109.06536	90.2
109.10135	27.8
111.04454	6.5
111.08114	7.5
115.05497	8.0
117.00053	9.6
117.07040	24.2
119.08589	31.0
121.06495	11.7
121.10154	10.2
123.08089	17.9
125.09734	8.5
127.03936	21.0
128.06184	7.8
129.01842	6.8
129.06995	13.3
130.04968	9.4
131.08578	51.0
133.06590	6.5
133.10150	82.1
135.08064	52.8
137.06039	10.2
139.05775	12.6
142.07770	9.7
143.08577	27.7
145.05035	7.0
145.06461	7.7
145.10139	15.7
146.96268	6.0
147.08044	9.4
147.11696	10.2
149.09637	10.7
156.09375	10.5
157.10118	25.7
158.10898	8.6
159.02818	7.4
159.11690	60.4
160.09647	8.5
161.04173	11.9
161.09581	8.3
161.13129	7.1
163.07545	10.1
165.09117	8.8
169.10135	10.1
170.15479	7.1
171.08034	9.1
173.13274	48.6
175.02364	13.9
175.07576	6.9
175.11189	14.0
176.11569	6.8
177.09081	8.9
181.08647	10.6
182.15460	5.3
183.11714	14.8
185.13245	28.7
187.11272	10.8
187.41344	5.4
189.12807	5.5
191.14319	100.0
198.14714	5.3
201.12759	8.0
205.12158	5.4
209.15320	35.0
210.15173	5.9
211.11415	6.6
213.05835	8.1
213.12772	7.6
217.10541	13.2
229.12401	7.9
231.13802	13.9
260.97311	5.7
263.11029	11.8
281.11923	7.8
360.20233	15.6
365.21173	7.7
439.25198	7.8
442.17938	8.4
457.26068	40.9
457.34579	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	457.2413
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
51.13551	0.3
53.03934	0.3
66.17555	0.4
67.05479	0.4
69.03415	1.3
70.06599	1.2
70.41445	1.3
79.05497	0.9
81.03417	0.8
81.07066	0.4
85.02899	1.5
86.09692	0.4
87.00827	0.7
91.05495	0.4
91.48518	0.4
93.07065	0.4
95.08608	0.5
97.02901	1.4
99.04483	0.5
105.01823	0.4
105.07046	0.6
107.08604	0.8
109.02885	0.6
109.06524	8.2
120.08127	0.9
121.10116	0.4
121.51246	0.3
127.03940	1.7
133.10158	0.9
135.08075	1.2
145.04993	0.6
145.10207	0.4
149.09627	0.3
153.09119	0.8
163.07552	0.5
173.13350	0.5
191.14265	1.9
203.05325	3.0
209.15401	0.9
231.05035	0.6
277.17789	6.4
295.18768	1.3
356.01968	0.5
369.18866	1.4
371.16782	1.0
439.23062	1.5
457.24139	100.0
458.24368	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	457.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.7
55.01870	4.5
57.03423	2.8
61.02925	3.1
61.81122	2.3
67.05507	3.2
69.03429	14.9
69.47504	2.0
70.53304	2.1
70.53656	7.2
71.04994	4.5
73.02927	4.3
79.05499	3.8
81.03416	15.6
81.07059	6.5
85.02914	40.7
87.00843	13.5
91.05460	3.3
93.07047	4.1
95.04996	3.0
95.08606	3.7
97.02898	16.6
99.04459	9.2
105.01877	10.0
105.07030	5.0
107.08617	8.3
109.02904	16.0
109.06525	100.0
109.07278	4.8
109.10126	4.0
117.01791	2.6
119.08640	2.4
119.76628	2.4
121.06547	2.8
121.10178	3.0
123.08094	7.4
125.97010	2.1
127.03939	26.2
131.08577	7.5
133.10153	7.5
135.08060	38.1
137.09636	2.9
145.04967	13.7
145.10167	4.0
147.02980	2.3
147.08047	2.8
149.09538	3.7
150.10434	4.6
151.07549	4.1
153.09088	2.7
159.02942	10.1
165.12773	2.9
173.13315	5.7
191.14322	67.4
193.15916	5.1
195.10185	6.2
200.00339	2.2
209.15408	22.3
231.05057	5.4
457.16077	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	457.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61094	2.1
53.03939	5.9
54.50891	2.1
55.01870	3.0
55.05502	9.5
57.03439	2.9
61.05845	2.0
61.38110	2.2
62.32713	2.1
67.05493	8.8
68.92905	2.6
68.99815	2.2
69.03156	2.2
69.03439	27.7
69.07060	8.7
69.38428	6.7
69.38855	12.5
70.06602	67.9
71.05000	4.8
73.02916	2.4
79.05507	13.6
81.03427	13.9
81.07072	11.8
83.04993	18.5
83.08621	4.3
85.02922	26.3
86.09708	6.9
87.00838	13.8
91.05466	13.2
93.07045	17.9
94.34294	2.3
95.04967	7.9
95.08620	14.9
97.02902	16.7
97.06522	5.2
97.10183	2.4
98.20790	5.0
98.97578	6.2
99.04461	4.5
105.01863	8.8
105.07034	14.3
107.04966	4.9
107.08607	42.3
109.02895	12.9
109.06552	11.6
109.10163	14.1
111.08089	3.9
119.06159	2.4
119.08582	7.8
120.08077	2.8
121.06517	8.7
121.10151	26.4
122.07301	5.8
123.04446	3.0
123.08059	5.6
125.09624	4.2
127.03922	22.6
127.07562	3.1
131.08582	5.7
133.10149	100.0
135.08087	20.0
135.11697	6.9
137.09633	54.9
139.11156	3.1
143.08568	3.0
145.04984	9.2
145.06570	2.5
145.10181	5.7
147.08046	2.7
147.11668	9.2
149.09648	19.8
149.13260	15.6
151.11200	15.5
153.09093	9.6
163.07515	3.2
163.11230	2.8
163.14871	7.4
164.31990	2.4
173.13304	11.5
175.11194	2.9
189.12685	3.0
191.14328	80.2
201.12408	7.0
204.08156	2.7
209.04370	2.9
209.15392	21.0
229.15509	37.6
231.05054	5.3
305.02658	8.7
317.17450	3.0
407.57004	2.5
439.19565	3.7
457.14737	31.4
457.24170	42.2
458.23718	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	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94591	3.1
62.99311	3.3
66.66459	2.9
69.03429	7.9
70.06571	3.1
70.23009	12.6
79.05504	3.6
79.39619	3.1
81.07048	4.4
83.78730	3.6
85.02900	4.1
91.05477	7.2
93.07027	4.1
105.01838	4.2
107.04957	3.8
107.08589	16.5
109.10147	6.2
119.08537	5.1
121.10204	8.5
122.07294	5.5
124.63106	3.2
133.10139	100.0
135.08057	6.1
137.09627	62.7
137.30495	3.6
149.13258	10.8
173.13260	6.2
191.14320	58.1
470.78983	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	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69546	2.2
53.03954	11.9
53.37960	2.3
55.01881	2.9
55.05498	7.7
56.05049	4.1
57.03428	7.6
67.05505	8.1
68.99819	2.4
69.03436	26.2
69.07076	4.3
70.06602	17.8
71.04981	9.3
74.06087	3.9
79.05495	6.7
81.03428	44.5
81.07061	18.4
83.04975	6.1
85.02913	36.1
86.09702	8.8
87.00825	6.8
91.05470	9.7
93.07055	13.9
95.04964	9.5
95.08608	5.7
97.02901	6.9
97.06523	16.7
99.04446	20.8
105.07028	13.5
107.08595	20.6
109.02885	39.2
109.06514	10.2
109.10178	6.0
111.08109	3.8
118.38107	2.6
119.07762	2.5
119.08560	10.9
121.06464	5.0
121.10133	10.4
123.08126	4.1
127.03925	100.0
131.08577	6.9
133.10144	14.5
135.08073	3.0
137.09612	2.8
143.08554	4.4
145.04985	3.5
145.06520	2.8
145.10124	6.3
147.08040	4.3
147.11678	7.1
149.09621	7.1
149.13234	12.9
151.11211	13.6
161.09628	8.3
162.48529	2.5
163.07521	3.7
163.11223	6.3
163.14841	4.4
167.10718	3.7
173.13297	9.7
189.12680	3.2
191.14284	11.1
209.11670	2.6
209.15437	15.4
213.03960	35.5
213.08980	2.6
217.17044	2.8
227.16461	10.5
231.04980	5.2
281.13718	3.7
362.92920	2.6
433.13708	2.3
439.19879	16.7
445.33426	2.8
455.85446	2.8
457.24054	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	5.6
55.01865	3.8
55.05507	6.2
67.05501	9.0
69.03428	19.0
69.07075	5.1
69.44364	20.0
71.05000	10.4
71.16526	2.9
73.99253	2.7
79.05513	11.1
81.03421	11.8
81.07060	11.5
83.05005	7.6
85.02911	20.7
85.06535	3.3
85.67619	3.0
87.00824	6.2
91.05486	9.6
93.07045	12.1
95.04976	5.3
95.08595	18.8
97.02901	10.4
97.06535	4.8
99.04470	5.0
99.08086	5.5
105.01894	5.5
105.07033	21.1
107.08611	27.3
109.02911	5.6
109.06525	82.2
109.10155	28.6
110.12946	3.0
111.08086	4.6
111.58804	3.0
117.07024	4.2
119.08588	12.3
121.10161	27.4
121.76424	2.7
123.08101	11.3
125.09641	9.0
127.03922	13.7
131.08560	17.2
133.10141	27.6
135.08058	35.4
135.11699	5.4
137.09645	6.7
143.08643	4.1
145.04997	6.5
145.10088	8.8
146.94260	3.0
147.11714	6.7
149.09613	8.8
149.13283	15.7
151.11209	49.2
153.09125	6.3
158.99646	4.7
159.02969	6.4
161.09581	14.5
163.14812	5.3
165.12772	4.5
173.13271	21.6
191.14323	100.0
209.15370	65.7
275.44022	3.1
281.13824	5.9
305.02692	5.1
414.69302	3.3
457.14529	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	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78263	1.6
53.03946	5.8
55.01865	3.5
55.05514	2.0
56.71229	2.2
57.02256	1.8
57.03431	3.1
59.92458	1.6
61.02928	2.2
67.05513	4.3
69.03433	22.1
69.07061	2.7
69.48529	12.8
71.05002	5.3
73.02917	3.5
79.05489	5.7
79.32567	1.7
81.03419	23.0
81.07072	8.4
83.04999	3.5
83.08627	1.8
85.02441	2.8
85.02916	40.7
87.00840	17.2
91.05482	5.7
93.07053	7.4
95.04959	4.8
95.08626	6.1
97.02900	13.1
99.04440	8.2
105.01850	11.7
105.07053	8.1
107.08606	9.1
109.02893	14.3
109.06527	81.0
109.10175	4.3
110.07008	1.9
115.03903	2.2
117.01875	3.0
119.08555	5.3
121.06411	2.0
121.10147	13.8
123.08093	7.3
123.11678	2.9
127.03923	30.7
129.01836	2.8
129.07094	2.1
131.08595	6.1
133.10147	19.9
135.08066	33.6
137.09607	16.3
145.04982	14.1
145.10138	5.5
147.11685	2.7
149.09653	6.1
149.13245	11.4
150.10387	4.1
151.11191	17.5
153.09212	3.3
158.10895	2.2
159.02899	12.3
163.14801	1.8
165.12752	31.3
167.35425	1.9
173.13290	12.4
191.14328	60.2
193.15881	4.7
195.10204	3.4
209.15379	100.0
231.05020	6.8
290.16766	1.8
346.16019	1.8
457.24176	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	457.153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.1
55.05514	5.5
58.99588	31.8
61.01153	4.8
61.02924	4.5
65.03942	2.1
67.05515	10.2
68.99803	2.4
69.03434	3.6
69.07072	14.5
70.68421	3.3
70.68795	3.5
71.04998	2.4
72.74568	1.6
73.02914	5.7
75.10222	1.4
77.03935	1.8
77.15024	1.7
79.05502	17.7
81.03412	1.7
81.07060	18.6
83.04964	1.6
83.08632	1.5
85.01146	6.6
86.99052	28.9
87.00842	6.0
87.71365	1.9
89.00618	5.7
91.05489	24.7
93.07043	24.0
95.04994	3.9
95.08598	8.4
97.01134	12.8
97.02898	1.6
97.06564	8.8
97.07087	1.6
99.31706	2.2
103.05470	2.0
105.01874	1.9
105.07032	46.1
107.08601	20.6
109.06525	9.0
109.10178	3.9
111.02672	3.5
115.05474	7.1
116.06234	3.2
117.00079	29.7
117.07026	29.3
119.08574	21.6
121.06491	7.8
121.10143	5.3
123.08051	3.9
128.06238	12.6
129.01846	6.5
129.07007	17.1
130.07762	2.7
131.01636	2.4
131.03447	3.7
131.08569	31.6
133.01349	5.4
133.06491	3.6
133.10147	10.7
134.01889	1.6
135.08067	17.3
135.11696	3.4
137.04196	2.2
137.05969	1.8
139.05766	15.4
141.07080	3.7
142.07767	19.5
143.08571	31.5
144.09351	10.7
145.06519	4.7
145.10135	15.7
147.02716	2.7
147.08076	3.4
147.11674	3.0
149.04237	13.1
151.05774	4.8
151.07561	7.9
153.09099	3.2
155.08595	7.7
156.09395	8.5
157.10141	40.2
159.08090	4.0
159.11696	100.0
160.12053	2.5
161.04175	15.7
161.09576	3.9
161.13301	5.2
163.05670	2.1
163.06178	1.9
163.07545	13.8
165.07013	2.6
167.05275	5.8
168.09315	9.1
169.10153	6.4
170.10971	4.2
171.08069	5.1
171.11646	8.1
173.13208	4.3
175.02405	27.6
175.05812	4.5
175.07614	5.4
175.11279	1.8
177.12790	1.9
181.08604	13.6
183.11716	20.8
185.06380	3.0
185.13271	53.9
187.11214	4.9
187.14828	6.5
189.09157	3.2
189.12766	4.9
191.08907	4.2
191.14377	2.3
195.11755	6.1
199.11237	3.1
201.12752	11.2
203.14404	5.1
205.12248	3.9
211.11185	2.3
213.05823	20.5
213.12733	17.3
213.16261	1.8
217.10455	34.8
217.12482	3.1
219.08385	2.6
219.13870	5.4
223.90919	1.6
231.13809	26.7
234.99034	1.8
235.11440	2.9
237.09415	1.9
243.12041	2.8
245.09962	10.6
249.14995	2.4
263.11014	24.9
267.07043	4.0
281.12109	13.7
285.07919	4.1
288.62927	1.8
307.13388	2.3
371.08151	2.3
439.14404	2.7
457.15244	3.0
457.25677	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.8
57.03446	7.9
58.67360	2.6
59.05011	3.1
59.49611	2.4
68.39333	2.7
69.03430	15.5
70.03114	4.7
70.03492	4.3
70.06608	8.8
71.04655	2.6
71.05013	11.4
73.02932	3.5
74.06130	2.8
76.44065	3.0
81.03432	18.0
84.04523	3.8
86.09730	7.1
91.05476	3.9
93.07125	2.9
93.80113	2.7
98.98473	15.6
99.04478	11.3
117.05503	7.3
125.69983	3.1
128.52223	2.6
138.07024	2.7
145.07672	3.6
147.09247	3.7
159.09218	4.3
172.08673	24.8
173.07059	4.3
175.08768	3.8
198.06677	8.0
198.10303	3.0
200.08315	3.8
215.13818	4.2
216.07779	9.1
219.07652	4.1
229.08633	4.0
243.08752	45.7
245.05203	4.5
266.34866	2.8
307.08539	3.6
323.32883	3.0
341.12527	7.7
359.13477	48.0
377.14658	4.8
396.09613	10.6
414.10785	10.8
421.08688	6.6
439.10196	100.0
457.15405	89.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1474
Annotation	11,5'-Dihydroxy-2,3,4'-trimethoxy-6',6'-dimethyl-4',5'-dihydropyrano[2',3':9,8]-6a,12a-didehydrorotenone
Peak:m/z	Relative Intensity
53.97648	1.5
70.06592	8.5
70.94260	4.0
72.08168	3.4
74.06055	2.1
84.08140	4.1
85.02897	2.7
86.09709	3.5
87.55803	1.6
90.94830	1.6
91.05485	2.4
96.30708	1.8
97.02917	2.2
103.88777	1.7
107.08567	1.9
121.08659	1.6
132.95863	1.7
144.22302	1.6
189.03085	1.8
207.01169	2.2
209.04482	2.8
237.04416	2.4
242.04654	4.1
249.02142	1.8
257.07004	5.3
262.02844	1.5
265.05237	4.4
267.06769	3.4
289.05411	6.5
313.10004	2.3
337.07443	4.6
439.10358	2.5
447.09128	1.8
457.14792	100.0
458.14828	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	456.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53849	1.0
53.03957	1.5
55.01864	2.0
55.05514	1.5
57.03431	2.3
57.07082	14.1
59.05004	100.0
61.02936	1.3
67.05506	1.8
68.99783	1.3
69.03439	7.5
69.63999	6.9
70.06591	1.2
73.02906	1.0
81.03427	6.7
81.07034	1.6
83.04999	1.0
83.20513	1.0
84.70866	1.1
85.02911	20.8
87.00852	7.7
91.05470	3.1
92.12000	1.0
93.07050	2.6
95.08606	2.0
97.02890	5.3
99.04444	2.7
101.09616	1.0
105.01861	7.3
107.08601	2.3
109.02881	5.2
115.11215	29.6
119.08608	1.9
121.10064	1.1
127.03939	9.8
133.10196	1.8
135.07988	1.3
145.04958	4.3
147.11650	1.1
159.02933	2.0
173.15370	5.5
179.06972	1.2
191.16431	53.8
206.25870	1.2
208.07915	1.9
221.72737	1.0
231.05054	2.2
432.33084	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	56.5
67.05504	13.1
69.03424	19.6
70.96214	21.7
79.05485	20.7
81.07070	12.5
83.04965	79.5
94.16565	11.8
103.53468	13.3
125.91425	11.1
126.79079	11.1
131.08572	19.0
141.56943	11.2
160.52359	11.8
166.50845	12.2
173.13292	26.9
197.09656	13.9
215.10648	17.9
261.11206	100.0
267.68900	14.1
336.67245	13.0
356.24042	18.0
361.16406	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	457.1123
Annotation	FMN
Peak:m/z	Relative Intensity
52.33603	1.3
53.03931	3.9
55.01873	1.6
55.05497	1.6
57.03436	8.3
59.04994	3.5
61.13812	1.3
63.04496	1.3
69.03436	15.6
70.06587	6.3
71.04994	8.0
71.49114	1.6
73.02908	3.8
74.06093	2.5
80.05016	1.4
81.03417	22.0
85.02902	2.4
86.09718	2.4
87.04438	1.6
91.05453	1.3
97.02911	1.2
98.98482	15.2
99.04472	11.8
117.05488	10.1
129.10300	1.3
137.05882	1.4
145.07588	3.5
147.09161	2.2
157.07611	1.8
159.09175	4.3
170.07094	3.0
171.09206	1.9
172.08707	29.9
173.07112	3.0
173.10684	1.8
175.08691	3.9
184.08638	2.2
185.10736	1.7
186.10329	2.1
186.36246	1.6
198.06680	6.7
199.12340	1.9
200.08223	5.0
210.10109	1.4
214.09753	2.9
215.13759	1.7
216.07729	16.5
218.09325	2.2
219.07639	3.7
228.11116	1.8
229.08469	2.2
243.08792	51.4
244.07094	1.7
252.11388	2.3
257.06931	1.6
274.08969	1.5
285.09955	2.2
298.11856	2.2
309.10028	2.1
316.12891	2.3
323.11526	2.2
341.12515	10.4
359.13522	42.2
377.14511	4.4
383.10135	2.7
396.09442	9.6
397.07867	1.9
414.10663	11.5
419.07114	1.6
421.09045	6.2
439.10172	100.0
440.09973	4.2
457.10773	20.3
457.15005	25.8
475.69937	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01861	1.6
55.05508	1.4
57.03431	1.3
57.06831	1.1
57.07081	13.4
59.05006	100.0
61.02919	1.6
61.86644	0.8
67.05463	1.0
68.99772	0.9
69.03432	6.3
69.11314	0.8
71.05005	2.3
71.49591	0.9
71.50046	1.7
73.02911	0.8
79.05479	1.0
80.72556	0.8
81.03425	5.3
85.02906	17.8
87.00832	8.3
91.05483	2.1
95.08587	2.2
97.02926	4.4
97.10220	1.3
99.04455	2.7
105.01859	5.8
105.07030	2.4
107.08559	1.4
109.02851	4.1
115.10439	1.8
115.11220	29.7
115.12031	1.8
117.09135	1.8
121.10158	0.9
127.03927	9.3
135.08069	1.2
145.04971	2.6
147.04411	1.2
159.02901	1.7
173.15413	5.9
179.07013	1.3
191.16444	49.2
208.07919	1.5
231.04991	1.3
300.98886	0.8
456.33395	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	456.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
55.05505	1.2
57.87001	0.7
61.02921	1.2
63.88773	0.8
65.03931	1.1
67.05490	1.2
69.03419	2.5
69.07090	1.0
70.53339	2.0
71.05009	0.9
79.05496	1.5
81.07053	3.4
82.49683	0.7
83.04983	1.1
85.02908	9.4
91.05487	19.8
91.06030	1.5
95.04971	0.8
95.08598	0.8
97.02905	3.9
97.06525	1.0
105.07051	3.6
107.08601	1.3
109.02879	1.2
109.10146	1.0
115.05490	1.2
117.07048	0.8
119.04953	23.7
119.08578	1.6
123.04435	0.9
127.03940	1.5
129.06969	0.9
130.52980	0.7
132.95834	1.0
133.06517	5.4
143.08577	0.8
145.04987	1.6
145.10100	1.5
147.04422	100.0
148.04768	0.8
153.05464	1.3
161.06006	3.7
164.66003	0.7
166.07776	0.8
167.08218	0.8
169.04991	2.1
169.06422	0.7
173.06076	0.8
174.97025	1.2
176.15253	0.8
177.58913	0.7
179.07048	80.7
180.07433	1.0
180.08830	1.1
182.08511	0.7
182.10249	0.9
191.06927	0.9
192.59843	0.7
199.11267	1.5
200.94905	0.7
203.03886	0.6
203.07135	1.2
227.10686	2.2
228.11034	0.9
230.62895	0.8
241.12128	1.1
259.13306	11.2
276.24744	0.8
310.12155	1.1
326.81924	0.7
340.01880	0.7
397.54172	0.9
445.93677	0.8
456.19452	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	456.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.9
55.05511	1.4
57.03426	1.1
58.85684	0.8
65.03954	1.1
67.05486	2.0
69.03423	3.1
69.07069	1.7
70.06581	0.9
71.51266	1.2
76.18372	0.8
79.05461	2.1
81.03405	2.6
81.07047	2.5
83.04987	0.8
83.08601	1.1
85.02444	0.9
85.02915	10.6
88.17419	0.7
91.03960	1.4
91.05484	18.9
93.07050	2.3
95.08604	5.9
96.08926	1.1
97.02911	3.8
103.05463	1.4
105.07037	6.6
107.07932	0.8
107.08595	4.2
108.08926	0.9
109.02901	1.2
109.10133	3.2
119.04947	23.7
119.08575	4.4
120.08876	2.2
121.10152	1.7
122.10487	0.9
123.11730	1.0
127.03918	1.7
133.06487	6.8
133.10109	3.8
134.10527	1.5
135.11682	1.8
136.12024	1.3
145.10156	3.2
147.04422	100.0
147.11751	1.6
148.04759	1.1
148.11974	1.1
148.94092	0.8
149.13326	1.5
155.08466	0.7
159.11678	2.2
161.05972	3.8
161.13441	1.0
173.09607	1.3
173.13261	1.3
179.07047	78.0
180.07347	1.0
187.14854	1.4
189.16292	1.0
191.10645	0.9
191.17941	5.5
192.18246	3.7
201.16411	4.1
202.16780	3.8
203.17924	1.8
204.18285	1.4
227.10663	1.1
247.16972	1.8
248.17307	1.9
259.13303	2.8
305.55518	0.9
438.34457	1.4
456.35556	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	456.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.9
55.05511	1.4
57.03426	1.1
58.85684	0.8
65.03954	1.1
67.05486	2.0
69.03423	3.1
69.07069	1.7
70.06581	0.9
71.51266	1.2
76.18372	0.8
79.05461	2.1
81.03405	2.6
81.07047	2.5
83.04987	0.8
83.08601	1.1
85.02444	0.9
85.02915	10.6
88.17419	0.7
91.03960	1.4
91.05484	18.9
93.07050	2.3
95.08604	5.9
96.08926	1.1
97.02911	3.8
103.05463	1.4
105.07037	6.6
107.07932	0.8
107.08595	4.2
108.08926	0.9
109.02901	1.2
109.10133	3.2
119.04947	23.7
119.08575	4.4
120.08876	2.2
121.10152	1.7
122.10487	0.9
123.11730	1.0
127.03918	1.7
133.06487	6.8
133.10109	3.8
134.10527	1.5
135.11682	1.8
136.12024	1.3
145.10156	3.2
147.04422	100.0
147.11751	1.6
148.04759	1.1
148.11974	1.1
148.94092	0.8
149.13326	1.5
155.08466	0.7
159.11678	2.2
161.05972	3.8
161.13441	1.0
173.09607	1.3
173.13261	1.3
179.07047	78.0
180.07347	1.0
187.14854	1.4
189.16292	1.0
191.10645	0.9
191.17941	5.5
192.18246	3.7
201.16411	4.1
202.16780	3.8
203.17924	1.8
204.18285	1.4
227.10663	1.1
247.16972	1.8
248.17307	1.9
259.13303	2.8
305.55518	0.9
438.34457	1.4
456.35556	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	455.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	2.4
54.76648	2.1
55.05519	17.1
57.07075	8.2
59.05008	2.2
62.67418	1.9
67.05517	16.7
69.03452	3.4
69.07073	23.7
70.71390	3.6
70.71700	2.9
71.04981	3.0
79.05501	17.1
81.03431	3.5
81.07064	35.1
83.04995	3.4
83.08620	8.6
85.02900	7.6
91.05492	19.3
93.07052	36.7
95.04957	3.8
95.08611	99.5
97.06531	2.8
97.10178	4.9
103.05461	2.3
105.07041	53.4
107.08604	61.5
109.06548	3.1
109.10165	40.2
111.08048	2.0
111.11694	2.1
114.09189	4.2
117.07027	7.3
119.08590	82.9
121.06522	4.6
121.10156	43.6
123.08053	3.4
123.11694	15.1
128.06226	2.6
129.06995	3.2
131.08594	21.4
133.10139	48.9
135.08066	6.3
135.11705	36.8
137.09648	2.9
137.13281	7.1
143.08629	3.9
145.10135	37.5
147.08110	2.6
147.11696	29.2
149.05995	3.2
149.09674	2.6
149.13254	22.8
156.51744	2.1
157.10123	6.5
158.10941	3.4
159.08084	4.3
159.11707	26.1
161.09610	3.0
161.13287	30.9
163.07576	5.5
163.11288	2.7
163.14838	13.3
165.09081	3.0
171.11639	4.5
172.75319	2.3
173.09647	3.1
173.13287	18.0
175.11206	2.9
175.14832	26.0
177.09090	5.1
177.12817	3.1
177.16423	10.6
179.10687	6.3
181.08673	2.2
183.11800	2.9
185.13246	4.1
187.11221	3.0
187.14844	21.4
189.12740	4.7
189.16386	24.3
191.10715	6.1
191.14330	3.6
191.17967	100.0
193.15887	2.2
197.13332	2.7
199.14803	5.3
201.16399	86.6
202.16869	2.7
203.14342	7.5
203.17957	41.5
205.15839	10.3
205.19534	11.3
205.38226	2.0
211.14919	2.9
213.16409	2.6
215.14288	3.8
215.17952	6.5
217.19489	10.3
219.14001	2.8
219.17461	34.4
227.17712	3.6
229.15926	8.0
229.19556	6.6
233.15465	5.8
243.21147	2.9
245.22665	2.6
247.16982	40.0
265.18021	7.3
287.20200	3.8
321.25934	2.3
350.64810	2.1
391.33511	5.4
399.15503	2.3
409.34818	12.2
411.36017	2.5
419.32574	2.9
437.34067	18.5
455.20682	2.6
455.35269	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45782	2.3
53.03938	3.1
55.01857	2.7
55.05511	10.2
67.05511	12.6
69.03435	5.2
69.07085	12.5
69.17465	12.1
69.17896	10.2
71.08632	2.1
79.05484	10.2
81.03416	4.8
81.07059	20.4
83.08609	8.2
85.02901	8.5
87.00840	3.3
91.05486	18.2
93.07043	23.1
95.04963	3.5
95.08610	50.3
97.02860	3.8
97.06526	4.6
97.10198	2.9
98.20816	5.5
105.07027	28.1
107.04958	5.7
107.08591	26.0
108.05313	2.6
109.02885	4.2
109.10170	18.2
111.08098	2.7
117.07020	6.4
119.08586	45.2
121.06520	11.6
121.10155	18.0
122.06855	3.4
123.08054	3.3
123.11707	8.1
127.03910	4.6
129.06993	3.4
131.08571	14.2
133.10127	20.8
135.11690	17.6
137.13260	4.7
143.08542	4.5
145.10130	24.8
147.04414	3.2
147.08002	2.9
147.11684	13.4
149.04790	4.8
149.05988	100.0
149.13289	10.9
150.06316	55.9
151.06494	25.0
155.08582	2.9
159.08069	3.2
159.11694	12.9
161.09544	2.7
161.13306	12.7
163.07530	3.7
163.11185	5.1
163.14836	6.5
171.06410	2.1
173.09607	2.9
173.13274	7.7
174.96872	3.1
175.14778	10.1
177.16422	5.3
179.06960	2.7
183.11705	4.4
187.14825	6.7
189.16391	9.6
191.10597	2.8
191.17978	41.9
201.12691	2.9
201.16393	36.4
203.14288	3.6
203.17972	22.3
205.12257	54.5
205.14206	3.1
205.15988	4.7
205.19597	5.6
206.12575	30.6
207.12843	23.8
215.17998	2.6
217.16068	2.7
217.19579	5.1
219.17500	8.6
227.10826	2.5
229.15828	5.9
233.15373	2.9
247.16879	15.0
263.44174	2.3
265.18060	2.9
279.10654	2.8
281.22580	2.2
299.07083	2.3
310.66367	2.0
409.34494	3.3
437.34323	4.8
455.19196	6.7
455.35315	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	455.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64811	3.0
53.03937	3.9
55.05507	13.2
57.07068	6.0
67.05508	26.4
69.03433	4.2
69.07069	30.5
69.26302	28.9
79.05487	18.4
81.07072	44.8
83.08611	16.0
85.02912	5.0
86.74969	3.6
89.73658	3.5
91.05486	26.3
93.07049	46.0
95.04940	4.3
95.08614	97.5
97.10173	6.5
98.02856	3.6
98.20766	4.7
105.07040	54.0
107.08602	62.8
109.06488	5.9
109.10158	44.9
117.07034	6.9
119.08592	96.5
121.06476	4.9
121.10153	48.6
123.08067	5.0
123.11725	21.6
129.06995	3.6
131.08592	28.1
132.95879	3.5
133.10149	50.1
135.08038	6.5
135.11690	34.2
137.05878	3.7
137.13264	15.9
143.08562	8.5
145.10132	50.5
147.04430	5.1
147.11717	27.2
149.05968	34.0
149.13263	22.5
150.06311	14.6
151.06529	6.4
157.10094	5.8
159.08112	5.0
159.11700	26.9
161.09599	7.9
161.13293	32.8
163.07561	5.6
163.14830	12.3
173.13292	16.3
175.14783	25.4
177.09132	3.4
177.16356	12.2
179.10631	5.6
179.62608	3.5
186.14146	3.9
187.11299	5.3
187.14856	20.3
189.16370	22.9
191.10669	8.2
191.17970	100.0
197.13303	3.3
201.16400	83.0
203.14296	9.4
203.17984	50.0
205.12216	15.3
205.15840	11.6
205.19531	11.7
206.12634	10.1
207.12851	5.8
211.14864	4.1
213.16429	5.3
217.19551	16.7
219.17439	32.5
229.15875	10.3
233.15224	5.8
247.16971	43.7
265.18021	4.4
391.33591	4.9
391.41650	3.5
409.34625	8.1
411.36188	5.5
437.33990	13.2
455.35291	40.8
479.42197	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.4
54.98457	2.1
55.05523	14.7
56.49091	2.1
57.07075	5.3
67.05508	15.1
69.03444	4.8
69.07075	22.7
70.82944	5.1
76.83660	2.4
78.06797	2.3
79.05486	14.5
81.07065	33.3
83.08626	13.9
91.05477	26.3
93.07053	40.9
95.04969	2.6
95.08613	100.0
97.06528	3.3
97.10169	6.6
105.07046	48.1
107.08603	52.0
109.06516	2.9
109.10170	42.4
111.08033	3.1
112.78262	2.2
117.07031	7.2
119.08591	87.5
121.06525	4.1
121.10162	41.4
123.08112	2.5
123.11713	18.5
125.09626	2.9
126.86689	2.3
129.06972	2.1
131.08575	21.8
133.10138	44.1
135.08073	5.4
135.11694	34.3
137.13269	9.2
143.08565	4.7
145.10127	38.5
147.11707	22.4
149.09657	3.5
149.13242	21.5
151.07452	4.7
153.09175	3.1
157.10146	7.5
159.08057	3.4
159.11696	29.8
161.09631	4.5
161.13257	30.7
163.07523	3.2
163.14821	6.4
165.09152	4.4
169.10143	3.1
171.11696	4.5
173.09645	3.6
173.13284	10.7
175.14824	26.9
177.09116	3.1
177.16386	9.8
177.64357	2.6
179.10573	4.9
185.13228	3.6
187.11148	3.6
187.14862	17.7
189.16403	19.5
191.10701	5.9
191.17966	85.2
199.14783	3.1
201.16389	90.4
203.14368	9.0
203.17958	44.5
205.15929	12.2
205.19562	9.5
213.16440	4.4
217.19525	11.9
219.17409	21.7
229.15892	10.7
231.13850	2.8
233.15332	7.1
245.15262	4.0
247.16983	37.7
248.23294	2.7
265.18033	6.4
279.72653	2.6
281.22729	2.4
391.33783	4.1
400.75269	2.6
409.34708	6.8
411.35892	2.8
437.34177	15.9
455.18973	7.1
455.35251	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74643	1.8
51.57779	2.5
53.03944	5.7
55.01869	6.9
55.05513	11.7
57.03440	2.7
57.07082	3.7
59.05001	20.6
66.09930	1.8
67.05511	18.3
69.03431	11.1
69.07076	17.3
69.50807	5.6
69.51209	7.3
70.80011	1.8
71.04999	5.4
71.08625	1.9
78.08834	1.9
79.05499	24.3
81.03400	3.3
81.07056	31.2
83.04984	5.3
83.08609	7.4
85.02901	7.6
87.00855	3.7
87.04458	6.8
91.05482	32.6
93.07046	75.5
93.27525	2.0
95.04967	7.1
95.08611	79.0
97.02913	4.3
97.06488	3.7
97.10149	4.5
98.21471	3.0
100.11269	2.3
103.05427	2.4
105.01841	3.2
105.07040	70.2
107.04939	4.1
107.08598	100.0
109.02885	3.1
109.06516	4.3
109.10160	30.1
110.31837	1.9
115.03920	4.1
115.11204	5.9
116.72086	2.0
117.07007	9.6
119.08591	77.1
121.06499	17.2
121.10147	55.9
123.08053	3.5
123.11745	13.7
127.03873	3.2
130.07814	3.2
131.08569	19.1
133.06537	3.1
133.10136	37.4
135.08057	18.0
135.11694	38.6
137.13260	8.3
139.07544	3.1
143.08578	3.7
145.10132	55.8
146.12595	2.8
147.11681	27.1
149.09631	13.6
149.13264	17.8
157.10219	2.6
159.08090	2.8
159.11708	23.5
161.09671	3.7
161.13274	23.1
163.07512	3.4
163.11177	47.4
163.14824	9.1
169.10106	2.3
171.11769	3.6
171.57640	2.2
173.09633	8.3
173.13280	8.4
175.14819	21.9
177.09106	3.4
177.16406	8.9
179.10641	4.7
182.15437	4.0
187.06033	4.8
187.11154	5.3
187.14838	13.7
189.16393	19.7
191.10681	59.2
191.12360	3.8
191.16408	9.7
191.17957	84.4
199.14853	4.0
201.07617	3.7
201.16400	70.3
202.16721	2.4
203.14301	6.2
203.17981	38.5
205.15834	6.3
205.19588	9.9
209.11603	2.5
210.15050	2.4
211.15005	2.4
213.16370	2.6
215.17998	4.4
217.19395	10.0
219.17448	28.1
229.15898	7.3
229.19473	3.9
233.15335	4.2
241.19695	2.3
245.15422	2.7
247.16949	35.8
257.22650	2.4
265.18100	2.9
277.14288	4.2
295.15460	7.7
300.31128	2.0
305.13641	3.0
323.15024	10.2
391.33572	4.7
409.34399	5.8
437.33960	12.0
455.18646	2.8
455.35233	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	57.4
61.01149	14.7
67.05482	10.6
69.03433	23.4
69.07056	9.8
70.01617	25.1
77.00629	12.7
79.05481	26.1
81.03400	7.4
81.07046	21.9
83.04992	58.1
85.02910	9.7
91.05487	51.4
93.07029	30.9
95.04973	8.9
95.08625	12.8
99.04427	11.8
105.07045	51.3
107.04996	13.7
107.08574	17.3
109.06509	9.4
111.04466	7.2
115.05460	13.1
116.84267	6.4
117.07009	27.6
119.04973	11.4
119.08588	30.1
121.06506	9.1
121.10105	10.5
128.06219	46.0
129.07016	41.7
131.08609	40.8
132.95808	14.2
133.06473	20.1
133.10181	9.6
135.08032	10.6
141.06992	19.2
142.07793	27.1
143.08583	85.7
145.06407	11.5
145.10141	63.8
147.04399	37.5
153.07068	13.4
154.07742	22.5
155.08557	67.1
156.09323	17.2
157.10127	43.2
158.07262	9.3
159.08051	21.9
159.11679	11.9
161.09621	40.2
165.07048	26.0
166.07773	38.3
167.08536	16.1
168.09355	12.9
169.10152	63.4
171.08000	24.6
171.11687	34.9
173.09602	57.5
179.06978	29.2
179.08507	13.8
181.10155	100.0
183.11713	25.3
185.09622	25.6
187.11234	20.2
189.09131	10.6
189.12750	8.4
191.10703	9.6
193.33846	8.4
197.09630	30.1
199.11168	86.6
201.12773	9.4
209.09583	23.8
215.08949	10.3
215.10704	31.5
217.12277	28.2
227.10692	83.1
234.98953	8.4
245.09679	13.1
245.11777	34.8
261.09467	8.7
273.09457	18.8
279.10275	11.0
291.10501	30.2
309.11508	43.3
319.09995	16.3
337.11005	36.3
344.42203	9.9
355.12082	51.8
423.78546	8.8
455.18362	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	455.2437
Annotation	Scopadulcic Acid A
Peak:m/z	Relative Intensity
55.05499	10.9
58.68262	3.6
65.03922	4.6
67.05502	24.8
69.03419	10.9
69.07061	9.6
70.46339	7.9
70.46706	7.8
71.05000	23.3
74.95980	3.6
79.05510	21.4
81.07057	22.0
83.01354	4.6
83.04976	9.5
83.08618	5.4
84.13706	3.8
85.06553	12.1
91.05477	23.5
93.07028	20.0
95.04954	12.5
95.08588	16.3
97.06503	7.5
105.07025	27.8
107.04975	4.2
107.08594	23.4
109.06522	6.6
109.10153	16.3
111.04475	3.4
112.91326	3.3
117.07014	5.2
117.86759	3.7
119.04911	8.2
119.08572	15.4
121.06508	21.8
121.10140	11.6
123.08060	5.2
125.09632	9.8
127.11240	6.7
128.06250	4.2
129.06993	6.7
131.08583	15.5
133.06490	3.5
133.10121	11.5
135.08034	11.5
137.05983	19.0
143.08580	12.8
145.10106	13.7
147.08008	8.7
149.05969	6.8
149.09602	10.6
151.07536	23.1
155.08508	6.6
156.09384	6.1
157.10124	8.2
159.08073	16.1
159.11687	14.5
161.05980	35.0
161.09616	17.1
163.07527	30.1
163.11208	8.5
169.10155	8.3
171.11671	9.4
173.09587	6.2
173.13249	6.5
174.06787	6.1
175.07571	100.0
175.11147	5.5
177.05516	4.4
177.09113	20.9
181.10022	5.1
183.11719	5.4
185.09679	6.3
185.13245	6.1
186.68759	3.6
187.07571	8.7
187.11195	12.3
188.79988	3.8
189.09047	21.8
189.12764	7.6
191.10663	41.5
199.07562	4.3
199.11162	5.9
201.09061	4.9
201.12636	4.9
203.10663	5.0
205.12254	6.7
207.11841	5.5
209.09546	5.5
214.09866	5.3
223.11249	4.9
225.12712	5.0
229.12184	27.0
231.13788	19.3
247.10849	6.2
247.13303	96.1
283.21786	3.7
321.18408	4.1
363.23297	3.9
369.16895	10.3
391.22720	18.9
409.23914	30.5
419.22162	24.8
427.25076	5.6
437.23273	39.5
455.24414	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67548	2.7
55.01862	3.0
55.05508	7.2
57.03419	4.5
65.66160	3.0
67.05514	21.1
69.03433	9.2
69.07071	3.3
70.89397	4.0
70.89739	5.5
71.04992	36.0
78.00874	2.9
79.05491	13.3
81.07065	18.9
83.04980	11.9
83.08607	3.9
85.06537	11.9
87.60625	2.8
91.05492	21.9
93.07040	10.1
95.04973	7.5
95.08620	6.9
97.02881	3.6
97.06569	3.7
103.05492	4.1
105.07019	20.9
107.04942	3.8
107.08604	15.8
109.06518	8.7
109.10150	8.5
111.08141	3.4
117.07034	10.0
117.44046	2.9
119.08601	12.7
121.06496	30.5
121.10168	8.3
123.04432	4.4
123.08070	4.0
125.09621	14.7
127.11187	16.0
129.07025	4.3
131.08592	25.5
133.06444	10.3
133.10133	7.8
135.08060	27.9
137.06009	13.2
137.09625	6.1
143.08545	5.0
145.06488	5.4
145.10130	7.4
147.07974	6.4
149.09628	23.1
151.03905	3.9
151.07538	12.2
155.08540	3.1
157.10085	3.2
159.08049	26.4
159.11707	9.3
161.05997	54.3
161.09627	13.3
163.07552	54.3
163.11159	5.2
166.07747	3.3
171.11748	2.8
173.09612	8.3
175.07535	25.1
175.11325	3.1
177.09106	47.5
183.11754	6.1
185.09602	3.2
187.07529	14.7
187.11206	5.5
189.09109	26.0
191.10672	18.0
199.11395	3.4
201.12784	6.3
205.08617	96.8
207.10117	5.4
209.09660	3.8
211.11058	5.1
213.12744	3.3
215.10713	3.0
220.12526	4.1
223.11137	3.4
229.12286	12.0
231.13797	17.7
247.13295	100.0
249.14861	8.0
277.16125	3.2
289.43875	2.8
307.65457	2.9
321.18683	5.8
323.16098	3.6
341.18002	4.3
349.17941	3.3
351.15958	8.2
363.23322	5.6
367.18903	3.0
369.16699	6.5
381.24426	2.9
391.22614	6.6
409.23608	7.9
419.22159	7.6
427.24677	7.9
437.23315	39.2
455.24402	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	455.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35606	1.4
56.48041	1.5
59.62607	1.4
63.50439	1.8
69.29847	15.2
74.06799	1.5
81.13102	1.5
94.92997	3.6
112.89614	100.0
131.01892	3.3
137.01910	1.8
139.53526	1.9
143.01871	4.5
155.01854	2.5
156.04237	5.5
173.02992	3.8
185.02919	3.7
203.04057	3.2
232.90196	5.1
245.05109	4.7
275.06177	2.0
281.64624	1.8
308.82898	1.7
357.35645	1.7
448.23193	1.8
455.11810	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	454.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.8
57.07081	35.3
63.88772	1.0
67.05506	1.6
69.07059	2.8
71.08640	24.3
71.51888	1.8
73.06554	5.0
79.05508	1.7
80.17274	1.3
81.07072	2.5
83.08620	2.9
85.10190	21.2
87.04517	2.6
89.06038	100.0
91.05482	1.4
95.08630	2.0
97.10186	2.6
98.71377	1.1
99.11724	4.5
105.07037	1.4
107.07066	3.1
107.08603	1.1
117.09132	2.3
119.08598	1.3
130.02528	1.3
133.08609	47.2
145.10150	1.2
149.13206	1.2
154.53914	1.1
155.17979	4.5
170.97276	1.1
177.11238	15.8
186.65207	1.3
195.12303	3.1
199.20624	3.2
204.08072	1.2
208.20911	1.4
239.14827	2.3
243.23196	6.0
267.53577	1.1
267.97647	1.3
269.87012	1.1
283.17511	12.7
287.25888	2.6
313.27594	1.4
437.34927	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	454.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	21.8
55.23831	14.3
57.03426	21.0
57.07075	32.5
67.05510	17.5
69.03411	20.7
69.07059	32.3
70.06567	16.9
70.20808	40.2
81.03416	19.8
81.07045	43.8
83.04964	22.9
85.02892	48.4
85.06546	14.0
87.00816	15.4
90.05550	19.3
93.07014	15.4
95.08588	21.0
96.06106	12.8
97.02888	22.0
99.08121	23.0
105.01883	16.0
107.76587	12.1
109.06528	23.5
109.10157	55.0
111.08051	13.6
120.49132	11.7
127.03946	34.4
127.11176	46.1
135.08154	11.4
137.06000	42.4
151.07562	62.0
152.05640	32.5
153.12729	34.6
155.14319	100.0
169.12125	12.8
171.13863	73.6
233.15363	14.6
454.24393	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2932
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
53.26231	0.5
55.05518	3.7
57.03203	0.6
57.03442	7.2
57.07082	27.0
59.82122	0.5
67.05509	6.7
68.99785	0.8
69.03423	0.6
69.07070	5.7
69.35194	3.3
69.35606	1.1
71.08637	16.7
79.05496	0.8
81.07067	7.3
83.04967	0.5
83.08619	6.3
85.10192	10.7
89.06024	1.8
93.07059	1.2
95.08609	11.6
97.06521	0.6
97.10177	3.5
103.07578	1.0
107.04901	0.4
107.08627	0.8
108.54876	0.4
109.10172	4.5
111.00774	1.1
123.11732	2.5
127.03897	0.5
133.09995	0.5
135.11684	0.5
137.13252	0.6
140.48480	0.5
153.05476	3.8
154.05789	1.7
239.23793	1.0
257.24805	1.9
266.25421	0.6
282.27914	2.5
283.22745	0.5
313.27383	100.0
314.27805	2.7
376.76984	0.6
400.29697	0.6
418.30219	1.3
436.31580	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2932
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05498	2.6
57.03441	4.1
57.06801	0.7
57.07079	22.0
62.06094	24.3
67.05508	5.7
69.07063	4.2
69.93707	3.1
71.08636	14.1
81.07061	6.6
83.08617	4.7
85.10192	8.9
95.08623	8.3
97.10146	2.5
98.98470	6.4
103.07589	0.7
109.10155	4.3
111.47183	0.6
123.11694	1.5
124.01590	0.9
142.02690	1.1
144.59418	0.6
155.01064	6.7
172.83223	0.6
180.41635	0.6
182.08269	0.6
198.05287	1.6
216.06404	2.3
239.23663	0.9
282.27936	11.9
313.27377	100.0
314.27744	2.8
393.24002	5.5
436.28214	1.8
454.34256	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64519	0.5
54.89222	0.5
55.05512	2.4
57.07085	0.8
62.06092	100.0
67.05505	2.3
69.03432	1.0
69.07076	3.0
70.06461	2.2
79.05515	2.1
81.07064	3.9
83.05032	0.8
83.08630	1.9
85.96651	0.5
91.05472	1.3
93.07072	2.0
95.05027	0.6
95.08617	3.4
97.06548	1.2
97.10194	0.7
98.20860	0.8
105.07038	1.2
107.08614	1.8
109.10180	2.2
111.04470	0.7
111.08156	0.6
119.08601	1.0
121.06531	0.9
121.10109	1.1
123.08098	0.7
123.11742	0.6
125.02437	0.7
127.11239	0.6
131.08592	0.7
133.10159	1.0
135.11734	0.7
137.05968	0.6
141.05493	1.0
147.11717	0.6
151.04028	1.0
153.05479	1.3
209.11926	0.6
237.14923	1.2
251.16440	0.6
263.16516	0.6
277.18439	0.6
291.19528	0.8
337.86499	0.6
347.25812	14.5
347.29684	0.9
375.25339	32.4
376.25937	0.9
393.26660	1.7
431.18494	1.4
432.18622	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.4
55.01863	2.8
55.05515	59.6
56.05045	9.3
56.05264	1.8
57.03424	2.2
60.04520	3.5
67.05511	4.5
69.03431	13.3
70.06581	3.5
70.79762	5.5
71.04981	3.2
72.53334	2.1
79.05491	6.5
81.03408	2.9
81.07063	5.4
82.06583	4.9
83.04490	4.0
83.04987	75.1
83.11938	1.6
84.03373	1.7
84.04523	14.4
85.02912	3.1
86.06084	5.8
88.04000	3.0
90.76865	1.7
91.05480	11.2
93.07066	8.9
94.06563	5.1
95.04955	7.4
95.08579	3.6
97.02898	5.3
97.06541	2.4
97.70695	2.0
98.06097	2.1
99.04445	4.9
100.11215	4.8
101.06057	1.9
102.05544	12.9
103.05409	2.6
105.07040	12.8
107.04954	3.0
107.08614	2.5
108.46862	1.9
109.06559	2.9
109.10134	2.6
110.06050	4.6
111.04449	3.4
112.92258	1.7
113.05973	4.3
115.05463	2.3
117.07019	6.6
119.08576	6.0
121.06525	10.8
123.08060	4.3
125.06021	3.0
128.06192	3.4
128.07047	5.0
129.07019	5.3
130.05040	11.0
131.08585	4.8
133.06517	5.1
133.10133	1.7
135.04448	6.9
135.08083	2.6
137.05960	4.0
140.07063	10.7
143.08571	7.8
145.06468	4.8
145.10078	4.6
147.08069	6.1
149.05971	4.5
151.07558	16.3
154.07744	3.7
155.08556	2.9
156.06534	6.0
158.08202	2.4
159.08040	4.3
159.11719	3.2
161.09627	4.8
163.07599	3.1
165.09149	1.9
167.07057	6.9
169.10112	4.9
170.08125	2.2
171.08034	4.1
172.08818	2.3
173.05966	3.5
173.09639	6.7
175.07576	2.8
177.09048	2.5
179.07086	2.6
180.02849	1.8
184.07417	2.1
185.09747	2.2
187.07605	3.6
187.11198	5.6
189.09084	3.3
191.07024	2.6
192.31154	2.1
197.09633	8.2
201.09085	6.9
203.10667	3.8
205.08609	2.5
207.10107	2.9
215.10687	8.4
217.08604	5.8
225.08984	2.4
231.10112	3.8
233.11723	3.2
243.10202	8.5
249.11252	2.2
250.42694	2.0
257.17453	2.8
261.11240	100.0
265.13187	1.9
279.12192	11.5
290.13770	2.7
308.14917	2.9
308.63187	1.9
318.13248	5.2
324.14249	6.1
336.14423	27.2
337.14896	2.1
354.15469	45.4
406.92682	1.9
431.22647	2.2
436.19348	2.2
454.19852	12.7
454.34735	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	453.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69512	3.3
53.03952	4.6
54.98631	3.9
55.01866	15.0
55.05513	49.4
57.07079	21.7
61.72870	3.7
67.05510	38.0
68.99796	45.8
69.03426	17.4
69.07081	46.4
70.77922	3.7
71.01368	3.5
71.04972	4.7
71.08617	14.0
79.05495	21.9
81.03418	4.6
81.07069	32.0
83.04993	6.7
83.08622	50.9
85.06524	7.0
85.10150	6.1
91.05477	10.9
91.32123	3.2
93.07055	20.7
95.04965	11.5
95.08617	24.9
95.64371	3.4
97.06541	8.9
97.10181	35.9
98.21513	13.0
99.04439	3.9
100.11228	5.6
103.82834	3.9
104.60488	3.2
105.07008	14.1
107.04958	9.5
107.08592	19.8
109.06518	13.3
109.10146	16.9
111.00809	100.0
111.04443	60.8
111.08083	5.3
111.11724	8.0
119.08566	10.3
121.10168	22.1
123.04454	8.4
123.11690	6.1
125.09631	5.7
127.03884	25.7
131.08583	3.5
133.10164	6.2
135.11696	15.9
137.02345	9.9
139.03906	6.1
145.10121	3.9
147.11638	4.5
147.45398	3.6
149.13264	5.1
153.05469	94.0
155.03416	6.9
175.07539	3.8
177.05438	21.0
179.03369	6.4
195.06534	39.4
197.04547	6.9
213.07622	16.6
219.10121	5.3
225.24684	3.4
229.50813	4.9
247.24170	6.6
265.25317	58.1
273.25858	6.8
307.29816	4.6
375.28641	9.0
399.28827	20.3
417.30060	59.7
435.31299	14.8
453.35040	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	453.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
55.01868	3.4
55.05518	15.8
57.07069	4.8
59.36712	1.1
60.96976	1.3
65.03928	1.9
67.01879	2.6
67.05184	1.4
67.05514	19.4
68.99795	12.1
69.07077	19.6
70.09737	4.1
79.05487	9.3
81.03423	2.5
81.07069	22.7
83.04971	4.8
83.08627	11.0
85.02873	1.0
91.05476	7.5
93.07063	13.3
95.04974	2.6
95.08617	19.6
97.06531	6.3
97.10160	7.3
105.07058	7.8
107.04971	1.8
107.08611	11.4
109.02918	1.6
109.06509	2.1
109.10152	11.2
111.00055	2.5
111.00813	26.0
111.04464	5.1
111.08064	1.7
117.06989	1.7
119.08581	6.2
121.06496	2.1
121.10144	8.8
123.04456	1.7
123.08066	2.2
123.11699	4.3
125.05982	1.4
127.03927	7.7
127.11262	1.2
129.07030	2.1
131.08598	2.0
133.10150	5.6
135.08118	2.5
135.11710	5.9
137.05995	1.5
137.09628	2.5
137.13310	1.3
138.91743	1.1
139.03912	24.3
145.10135	3.6
147.08046	2.0
147.11725	2.7
149.13307	2.2
151.03923	2.5
153.05432	1.5
159.11752	2.7
161.13313	2.9
167.07109	1.4
173.13293	1.3
175.11241	1.3
177.09164	1.2
179.10669	1.7
181.08508	1.6
209.11748	3.1
223.13330	3.9
235.13382	1.2
237.14853	3.6
251.16472	3.8
263.16400	1.4
265.18015	2.7
277.18115	2.0
279.19626	3.8
291.19617	2.5
293.21173	1.6
305.21097	1.9
307.22858	1.7
319.22675	2.0
333.24341	1.2
333.27914	2.6
349.31409	1.5
371.29373	1.4
375.28864	4.4
389.30588	15.7
399.28772	5.5
416.80856	1.1
417.30014	100.0
418.30075	3.2
435.32169	2.4
453.34177	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	452.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34906	1.3
53.03934	3.6
55.01862	3.0
55.05505	4.2
57.03421	2.3
59.05005	1.9
61.12781	1.3
64.36877	1.4
65.03912	1.5
67.05508	8.1
69.03433	12.7
69.07065	3.8
71.04988	3.4
71.48790	1.8
71.49168	1.6
73.02923	3.2
79.05479	5.5
81.03436	8.6
81.07056	23.0
83.04984	8.2
84.96656	1.4
85.02911	28.7
87.00840	14.1
91.05486	7.6
93.07053	31.5
95.04974	8.1
95.08602	4.5
97.02902	15.1
97.06551	1.9
99.04450	5.4
105.01877	21.0
105.07038	11.5
107.08604	19.9
109.02872	8.4
109.06535	3.8
109.10177	10.0
111.08076	2.2
117.01926	1.6
121.10178	3.0
123.11718	16.4
127.03918	22.8
131.08618	1.9
133.10127	17.1
145.04980	12.6
151.11221	9.0
159.02905	6.9
169.12352	2.0
173.04453	1.7
231.04999	6.1
249.06017	3.2
394.15604	1.9
407.54465	1.8
452.19781	100.0
453.20239	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	452.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34906	1.3
53.03934	3.6
55.01862	3.0
55.05505	4.2
57.03421	2.3
59.05005	1.9
61.12781	1.3
64.36877	1.4
65.03912	1.5
67.05508	8.1
69.03433	12.7
69.07065	3.8
71.04988	3.4
71.48790	1.8
71.49168	1.6
73.02923	3.2
79.05479	5.5
81.03436	8.6
81.07056	23.0
83.04984	8.2
84.96656	1.4
85.02911	28.7
87.00840	14.1
91.05486	7.6
93.07053	31.5
95.04974	8.1
95.08602	4.5
97.02902	15.1
97.06551	1.9
99.04450	5.4
105.01877	21.0
105.07038	11.5
107.08604	19.9
109.02872	8.4
109.06535	3.8
109.10177	10.0
111.08076	2.2
117.01926	1.6
121.10178	3.0
123.11718	16.4
127.03918	22.8
131.08618	1.9
133.10127	17.1
145.04980	12.6
151.11221	9.0
159.02905	6.9
169.12352	2.0
173.04453	1.7
231.04999	6.1
249.06017	3.2
394.15604	1.9
407.54465	1.8
452.19781	100.0
453.20239	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	452.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.05271	1.9
55.05516	26.6
56.05040	74.2
58.06600	1.2
67.05505	1.6
69.03441	1.4
69.07076	1.6
70.06575	1.1
70.61603	1.9
70.61968	2.6
74.06085	54.5
75.77866	1.0
79.05492	3.8
81.03413	2.9
81.07075	2.4
83.04493	1.9
83.04988	35.5
84.91843	1.1
85.02895	1.3
91.05481	4.9
93.07035	5.4
94.06638	2.0
94.07310	1.1
95.04977	2.9
95.08610	2.3
97.06532	5.2
98.06866	1.7
102.05549	100.0
105.07012	7.6
107.08597	4.2
108.08127	1.6
109.06491	2.2
115.05527	1.5
117.07010	2.3
119.08607	5.3
120.08037	1.3
121.06471	1.5
121.10172	2.5
128.06221	1.7
128.07123	1.4
129.07011	1.3
131.08589	4.0
132.08070	1.4
133.06544	1.4
133.10176	1.4
142.07791	3.2
143.08563	4.4
145.06578	1.6
145.10123	4.9
147.08035	1.6
147.11711	2.7
149.10794	1.0
157.10098	1.6
158.09723	1.6
159.08012	1.2
159.11734	3.2
163.03966	1.3
166.08682	1.4
168.09282	1.2
169.10153	1.4
173.09683	2.9
173.13283	2.2
174.01109	1.1
175.11290	1.4
181.10228	1.4
187.11235	2.0
198.07741	1.3
199.11215	1.7
201.12817	2.2
211.13225	2.7
212.09238	1.4
215.07024	2.0
215.10751	2.4
216.07413	4.2
217.12344	1.9
222.47459	1.1
233.11746	2.9
259.09634	1.7
260.09964	5.1
288.15994	2.1
306.17053	13.3
324.17880	3.1
334.16547	4.4
352.17569	15.1
375.47372	1.2
406.17273	2.2
406.22305	27.1
452.16583	1.8
452.22815	35.6
453.23001	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	3.2
55.05514	20.5
56.98744	2.2
57.07077	23.7
61.43047	2.4
67.01859	2.8
67.05511	16.8
68.99783	14.0
69.07072	27.0
69.28848	21.5
71.08643	12.2
74.09724	5.3
75.42500	2.6
79.05492	9.0
81.03412	2.2
81.07069	17.9
83.04987	5.2
83.08611	15.8
85.10170	4.6
87.00826	2.2
89.06033	7.7
91.05489	5.3
93.07060	15.9
95.04966	7.3
95.08612	13.6
96.52908	2.3
97.02895	2.4
97.06530	8.4
97.10171	7.6
98.98488	2.8
100.79983	2.0
104.35477	2.3
105.07064	3.3
107.08611	11.7
109.10148	4.9
111.00810	27.8
111.04451	10.9
111.08101	4.6
119.08591	3.4
121.10149	11.2
123.11714	2.9
125.06010	6.0
125.09628	4.2
126.25116	2.0
127.03917	14.7
133.08580	6.3
133.10147	4.5
135.11694	8.7
139.03915	39.1
139.07545	2.9
149.09621	4.8
149.13248	6.1
153.05469	3.6
180.72212	2.3
181.08669	3.0
183.06531	2.6
195.10110	4.6
209.11775	10.4
223.13257	11.5
237.14896	18.1
251.16432	17.3
265.17999	17.7
279.19601	12.4
293.21112	15.2
307.22681	15.6
321.24258	15.0
335.25848	10.0
349.27451	12.6
359.48782	2.5
363.28842	7.2
377.30563	8.2
391.31927	3.1
433.37079	100.0
451.34219	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	451.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63428	1.6
55.05508	4.6
57.07081	24.6
59.64434	2.0
67.05508	3.6
69.07066	6.9
71.08643	12.6
71.50683	2.4
81.07051	8.8
83.08620	5.8
85.10193	8.7
89.06030	1.7
95.08624	7.3
97.10164	3.4
105.03407	14.2
106.45842	1.7
109.10147	3.4
115.05468	2.6
123.11710	1.6
128.06250	3.1
129.07018	3.9
131.04973	1.6
131.08583	7.9
133.02884	4.7
141.07042	4.3
143.08604	4.4
147.04437	2.8
153.06979	2.4
154.08971	1.6
155.08551	2.4
155.62126	1.7
157.06546	9.1
159.04343	1.6
159.08055	8.6
160.17357	1.6
161.05975	4.3
165.06990	3.1
167.08527	3.8
169.10173	2.7
171.08051	13.3
181.06502	3.6
181.10146	5.0
182.07365	2.8
183.08101	2.7
185.09627	19.8
186.06799	2.4
187.07549	100.0
193.10150	2.8
195.08156	4.8
197.09636	16.0
198.06651	2.4
199.07553	13.9
199.11172	2.3
208.08943	4.0
209.09633	7.9
211.11224	8.3
212.08282	3.1
213.09137	10.1
223.11234	8.3
225.09181	3.6
225.12811	5.1
227.10710	12.0
237.12715	3.8
239.14584	3.0
241.12292	8.0
255.13861	3.4
263.12094	1.7
283.16876	1.9
311.20068	3.5
325.21634	2.5
339.23239	2.0
433.34683	7.3
451.35751	56.5
452.35809	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	451.3209
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03946	5.0
55.05513	13.2
57.03427	3.5
57.07072	6.5
67.05502	25.1
69.07068	15.2
69.32195	18.6
71.05000	26.8
71.08646	2.8
79.05497	15.5
81.07058	34.5
83.08629	5.8
89.06012	3.8
91.05496	16.4
93.07044	46.5
95.04975	5.9
95.08607	34.2
97.06551	3.3
97.10184	4.0
97.95469	2.1
98.98471	5.2
99.44814	2.3
105.07037	24.9
107.08604	46.6
109.06557	3.9
109.10163	45.7
110.10539	2.0
117.07057	5.1
119.08585	21.7
121.06542	4.4
121.10159	26.0
123.08086	4.1
123.11712	14.5
125.09670	9.3
127.11200	43.9
129.07021	4.9
131.08600	13.8
133.06538	4.6
133.08601	3.0
133.10133	14.0
134.91490	2.2
135.08081	5.3
135.11688	51.6
136.99995	2.4
137.06009	6.6
142.07768	3.7
143.08534	11.5
144.09329	2.4
145.10127	25.0
145.10979	2.1
147.08057	5.5
147.11670	15.8
149.09642	5.1
149.13264	11.2
151.07594	5.1
151.14726	2.4
155.01134	2.2
155.08624	5.5
157.10136	14.9
159.08121	3.8
159.11711	15.6
161.09673	7.4
161.13313	10.3
163.03845	2.7
163.07582	6.6
163.11221	5.2
169.10214	8.7
171.08122	2.9
171.11789	8.7
173.09662	3.8
173.13260	5.7
175.07558	4.3
175.11247	4.1
177.09138	4.0
177.16504	3.1
181.10161	2.9
183.11787	9.1
184.12463	3.8
185.09692	3.9
185.13376	10.0
187.11258	4.1
187.14886	8.5
189.09209	6.1
189.16420	3.6
191.10698	2.7
195.11803	6.1
197.09679	2.9
197.13289	7.2
197.90892	2.6
199.11284	6.2
199.14882	5.6
201.16379	22.3
203.14287	3.0
209.13301	4.3
211.11235	5.4
211.14940	5.0
213.16475	4.2
215.14516	2.8
221.13414	3.2
222.68858	2.5
223.14859	3.3
225.12871	4.0
227.18062	4.0
231.13904	4.6
235.14810	3.5
237.16431	2.7
239.14194	2.7
245.15454	5.8
249.16512	3.1
251.18056	4.6
261.16669	2.7
263.16516	7.7
267.17603	3.7
279.21085	2.5
281.19162	2.9
295.20593	2.4
297.18912	3.2
309.22385	3.2
315.28207	4.3
319.24289	3.0
323.20206	2.4
323.23761	4.0
341.24820	4.1
347.23880	2.8
351.23276	4.2
355.22849	3.7
363.26907	3.6
369.24506	2.9
405.31448	11.8
415.30197	8.4
420.21194	2.9
423.32660	12.0
433.22638	3.3
433.24573	3.1
433.31027	45.5
451.32263	100.0
452.32611	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	451.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.5
52.68497	1.0
55.01867	2.1
55.05517	1.8
57.03429	2.1
61.07841	1.0
67.05499	3.4
69.03426	2.0
69.07067	7.7
69.36765	6.0
69.37182	2.4
71.67178	1.1
79.05506	8.2
85.02893	2.4
89.03923	2.7
91.05465	1.3
92.40431	1.2
95.04946	1.3
97.06539	74.2
105.07044	2.8
111.78860	1.2
117.03384	2.9
119.08591	2.0
120.45128	1.0
128.06331	1.1
131.04918	1.2
131.08546	1.9
131.90320	1.1
135.04396	4.0
143.08551	1.6
145.02870	5.2
145.10168	1.9
147.11665	1.1
156.19672	1.2
157.10120	1.3
159.04437	5.2
161.02362	15.1
163.03920	34.4
173.02356	27.6
186.03093	1.3
189.16295	1.7
191.03438	1.6
204.51801	1.1
215.07045	41.9
222.15604	1.1
241.08589	1.4
250.14308	1.3
257.28339	1.1
259.09683	100.0
260.09973	3.4
403.24130	1.3
416.93625	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.4
63.45593	1.3
67.05489	2.2
68.16013	1.3
69.07076	9.4
69.83711	8.4
76.62541	1.4
78.24962	1.3
79.05498	9.1
79.28655	1.5
81.07065	1.3
81.59212	1.6
89.03931	2.6
97.06537	74.2
105.07053	1.8
111.04366	1.3
117.03366	4.0
121.06535	1.4
133.02798	3.0
135.04433	5.1
145.02863	5.9
157.84834	1.4
161.02382	7.7
161.10222	1.3
162.50362	1.5
163.03922	39.6
173.02367	25.6
185.06012	1.9
191.03430	1.5
215.07037	31.8
217.41060	1.4
257.74460	1.3
259.09695	100.0
260.09949	1.8
411.28735	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35017	1.1
55.32331	1.1
57.03418	1.5
67.05503	2.1
69.07069	7.4
70.33037	1.6
70.33389	3.5
74.23334	1.0
79.05500	7.3
81.07024	1.5
84.35883	1.2
86.09737	1.5
89.03912	1.9
91.05470	1.5
97.06538	72.1
104.10735	4.1
105.11096	1.2
117.03344	3.2
124.99945	1.4
125.67456	1.1
133.02963	1.2
135.04416	4.8
141.07050	1.6
143.08563	1.2
145.02858	3.8
159.04407	3.8
161.02356	13.7
163.03906	30.2
164.04155	1.4
173.02361	30.7
184.07332	2.1
185.05948	1.3
185.07764	1.1
215.07030	32.5
259.09671	100.0
260.09799	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3213
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
55.05512	17.6
57.03420	4.7
57.07074	10.7
67.05514	31.2
69.03421	6.5
69.07074	21.3
69.86237	9.2
69.86651	6.2
70.61831	3.0
71.04997	22.5
71.08633	4.3
79.05500	23.1
81.07055	40.0
83.04999	6.4
83.08633	9.2
85.06537	4.0
89.06052	10.6
91.05486	27.6
93.07050	51.9
95.05009	6.5
95.08608	41.1
97.06557	12.0
97.10174	4.6
98.20834	4.8
98.98486	7.4
99.08158	4.1
105.07040	41.1
107.04921	2.9
107.08603	66.4
109.06553	8.4
109.10163	61.5
117.07040	9.8
119.08589	30.9
121.06532	7.3
121.10152	32.0
123.08047	3.7
123.11723	21.1
125.09654	15.8
127.11204	68.5
129.07011	5.5
130.07803	2.8
131.08591	30.1
133.10147	25.5
135.08084	5.8
135.11702	58.8
136.99962	3.2
137.05995	6.8
137.13301	5.0
139.95908	3.5
142.07893	5.2
143.08553	17.9
145.10135	34.9
147.08081	5.7
147.11707	15.5
148.41418	3.2
149.13301	12.9
151.07607	9.5
155.00993	3.5
155.08611	8.1
157.10176	15.1
159.11740	26.0
161.09622	7.0
161.13297	6.1
163.03983	3.7
163.07542	5.2
163.11314	4.3
163.14799	4.0
169.10188	10.6
171.08098	2.9
171.11766	9.2
173.09674	9.4
173.13347	9.1
175.07657	8.3
175.11249	5.1
175.14882	4.8
177.09106	6.5
177.16307	3.2
181.10179	5.6
183.11765	10.4
185.09674	3.8
185.13326	13.0
187.14879	10.3
189.09190	8.6
189.16428	7.8
191.10654	5.6
193.12404	3.4
195.11681	5.1
197.13297	8.2
199.11215	3.8
199.14897	10.0
201.16365	33.4
209.13348	5.7
211.14871	5.3
213.12749	4.0
215.10811	4.6
225.12776	5.1
225.16588	3.4
231.13902	6.8
237.16367	7.1
239.14352	3.8
239.18024	4.8
241.19550	4.3
243.14044	3.7
245.15446	9.8
249.16605	5.1
251.17741	4.3
253.15759	5.2
255.17836	3.5
263.16589	11.8
267.17377	5.3
269.15381	3.1
297.18524	4.2
301.18005	4.3
305.18732	4.0
309.22049	6.2
325.21643	3.3
341.24860	3.6
347.23700	6.3
351.23392	4.3
355.22760	3.5
365.24661	4.5
367.22867	5.0
387.30850	3.5
391.26398	3.8
405.31775	12.6
415.30112	9.3
423.32843	5.4
433.31012	59.9
451.26508	7.2
451.32242	100.0
452.32498	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1573
Annotation	Cycloartomunoxanthone
Peak:m/z	Relative Intensity
55.05491	30.9
55.07972	22.8
60.80607	27.0
69.92707	100.0
84.63830	26.8
85.21352	22.9
98.20819	30.7
128.16769	27.9
197.94087	26.4
273.21027	29.2
421.09686	32.1
449.15659	72.9
460.74518	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	449.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75628	0.4
56.05024	0.6
56.83971	0.4
61.31376	0.5
67.05505	0.4
69.29005	1.4
69.29427	2.4
71.14506	0.4
81.07034	0.8
84.04511	19.9
85.02908	0.9
86.09715	14.3
86.10246	0.7
91.05496	1.1
93.07047	1.7
98.21513	0.8
98.82863	0.4
101.07131	2.4
102.05573	0.8
102.16121	0.4
103.05476	4.6
105.07060	0.5
109.06557	0.5
120.08114	100.0
121.08452	1.8
124.99972	0.5
128.10718	4.5
129.06819	0.4
130.05016	31.7
131.04990	0.7
143.08617	0.5
145.10156	0.4
147.07658	38.0
148.40794	0.4
150.42062	0.4
156.10162	0.7
165.10274	1.4
184.07402	0.8
259.10721	0.7
260.09164	1.1
276.13425	1.2
277.11841	5.0
285.16068	1.0
294.14508	22.8
295.14975	0.5
303.17200	0.8
431.22583	0.6
449.16122	0.5
449.25467	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.2
53.83365	1.9
55.05515	19.1
57.03443	59.6
57.07082	46.3
67.05177	2.9
67.05505	33.9
69.03425	2.9
69.07071	23.4
71.08636	29.4
76.36518	1.7
79.05503	16.4
81.07061	48.9
83.08631	14.2
85.10184	15.8
91.05489	13.9
93.07050	27.1
95.04972	8.2
95.08611	39.7
97.06545	5.8
97.10181	7.4
98.98474	100.0
105.07040	26.1
107.04977	9.8
107.08606	18.0
107.77415	2.0
109.06557	5.1
109.10165	35.2
111.11764	3.0
113.00020	8.0
117.07028	6.0
119.08595	13.7
121.06518	7.1
121.10159	11.4
123.08150	2.3
123.11730	8.9
129.07036	3.5
131.08612	10.8
133.10133	6.8
135.04407	2.2
135.08080	7.7
135.11717	6.5
136.98941	4.3
136.99997	81.0
141.06941	2.1
142.07782	4.2
143.08614	10.6
145.10153	15.8
147.08040	5.5
147.11697	10.6
149.09634	2.4
149.13258	9.8
151.11182	3.7
155.01053	89.4
155.08563	5.5
157.10138	8.7
159.08061	5.5
159.11702	9.4
161.09639	10.0
161.13260	5.2
163.07610	2.4
163.11208	13.7
169.02687	7.1
169.10124	3.8
171.08145	2.8
171.11661	4.7
172.08789	2.2
173.09637	6.4
173.13277	3.4
174.06883	2.1
175.07555	26.7
175.11258	2.6
175.14935	2.2
177.09135	2.7
183.11668	4.4
185.09612	4.2
185.13272	3.9
189.09105	7.0
193.02608	18.7
193.10114	2.3
195.11627	2.2
197.13333	4.5
199.11220	2.8
199.14842	5.1
201.09131	2.4
201.12726	2.5
203.10664	3.1
207.11742	3.2
209.09639	2.6
211.03671	17.8
213.12778	2.5
215.14293	2.5
217.12224	2.0
223.11090	2.3
223.15024	2.5
225.12782	2.3
227.14417	2.6
229.12270	2.4
229.45273	2.3
231.13902	10.0
239.23618	4.3
243.13846	16.3
245.15404	7.1
257.19025	4.1
267.17392	3.4
279.17429	2.4
285.18497	3.2
311.19891	3.2
313.27362	63.2
337.27408	4.2
351.23346	2.2
391.26297	3.7
420.34128	2.2
431.29373	13.1
449.25806	68.7
449.31522	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	449.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10830	3.3
53.03941	8.1
54.22953	2.9
55.05517	21.4
57.03440	67.4
57.07079	48.6
67.05503	46.7
69.07070	39.9
69.33183	28.5
71.08640	33.5
73.67412	3.3
79.05492	28.6
79.79556	3.2
81.07067	63.0
83.04982	6.0
83.08605	15.8
85.10184	16.4
91.05485	25.0
93.07050	39.8
95.04987	8.3
95.08614	51.1
97.06535	11.9
97.10161	7.1
98.98476	96.6
98.99122	5.1
105.07036	44.6
107.04975	14.9
107.08617	32.5
109.06530	6.8
109.10168	39.9
111.11758	3.5
113.00012	4.5
115.05490	3.2
117.07034	8.7
119.04921	3.5
119.08578	20.6
121.06506	13.6
121.10164	18.4
123.08061	5.9
123.11707	9.2
127.11194	4.9
128.06238	5.3
129.07031	7.9
131.08537	18.6
133.10141	14.5
135.08051	10.0
135.11697	10.2
136.99994	92.4
137.05992	4.6
143.08557	12.2
144.09413	5.5
145.10147	24.6
147.08025	5.2
147.11670	17.2
149.13249	10.9
151.11218	4.4
155.01047	100.0
155.08568	8.0
157.10138	11.5
159.08014	5.0
159.11758	15.7
161.09653	9.5
161.13303	5.3
163.07518	7.0
163.11205	19.6
165.08972	3.3
169.02719	6.3
169.10110	3.9
171.11703	6.2
173.09607	5.7
173.13321	5.3
175.07535	43.4
175.11195	4.5
177.09166	7.3
183.11693	3.9
185.09555	6.8
185.13300	6.4
187.07420	4.1
189.09088	8.8
191.10701	5.9
193.02618	15.8
193.10136	5.8
195.11711	9.0
197.09694	5.4
197.13245	9.6
199.11165	4.9
199.14851	8.9
201.09135	6.4
201.12729	4.4
201.16409	5.2
211.03650	18.3
213.09128	5.3
213.12677	5.7
221.13287	4.2
223.11111	6.1
225.12643	5.1
227.14316	4.2
228.11473	3.9
229.12251	6.0
231.13812	13.7
239.14360	3.8
239.18111	3.2
239.23726	8.0
243.13837	22.5
245.15392	8.9
257.18982	4.9
265.15848	5.4
277.15924	4.6
279.17554	4.3
285.18549	7.9
295.16922	9.9
297.18701	4.2
311.20145	4.5
313.27386	68.7
349.21747	5.1
375.23315	4.1
391.26352	6.0
393.24051	6.7
413.28204	5.0
421.30792	3.7
431.29410	13.8
449.25504	64.8
449.31137	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
53.29592	0.5
55.05516	7.1
57.07084	22.4
63.39560	0.4
65.03953	7.3
67.05508	2.6
69.03420	0.6
69.07069	1.7
70.06599	0.5
71.05001	0.9
71.50400	0.6
79.05507	2.9
80.65198	0.5
81.03419	1.3
81.07076	3.9
83.04989	67.4
83.08643	0.6
84.17281	0.5
91.05491	7.4
93.07059	2.2
95.05005	1.2
95.08610	2.3
97.06554	0.8
98.98469	6.3
105.07059	4.8
107.04959	1.1
107.08612	2.0
109.06528	0.9
109.10145	1.5
111.13685	0.4
115.05467	1.8
117.07050	1.6
119.08614	3.7
121.06558	0.6
121.10152	1.3
123.08118	0.6
123.11661	0.7
127.11200	1.2
128.06233	1.3
129.07036	2.7
131.08586	2.1
132.09355	0.6
133.00507	0.7
133.10161	1.8
135.04402	0.5
135.08064	0.7
135.11716	0.7
137.05908	0.6
141.06995	4.3
143.08531	0.8
145.10130	1.8
147.08055	2.0
147.11699	7.5
151.01575	8.0
151.07520	0.5
155.08565	0.6
157.10172	0.8
159.08066	2.1
159.11676	1.2
161.09706	0.8
161.13281	0.7
163.01547	4.4
163.07487	0.9
169.07669	1.9
173.13264	0.6
175.01576	8.2
175.07567	1.0
175.11182	0.6
181.02626	1.4
181.05032	0.9
187.01558	1.3
189.09193	1.6
192.14851	0.5
199.14854	0.9
201.09143	0.5
209.03731	0.6
221.03606	0.7
227.04733	3.4
236.96986	0.6
239.04704	1.6
245.15456	1.2
254.98306	1.4
257.05664	0.5
260.99261	7.1
337.02377	57.0
357.24094	1.2
378.04861	0.7
393.08655	100.0
394.08868	1.6
431.28311	1.4
434.11453	1.9
447.75656	0.5
449.14908	13.8
449.21249	1.0
449.29248	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08996	24.1
55.05505	39.4
65.84219	18.0
67.05507	28.5
69.93138	100.0
71.05000	23.0
83.04997	73.4
92.60075	22.2
104.94062	22.3
130.70544	19.9
154.67845	21.1
154.85431	18.0
249.09259	23.4
359.33163	24.1
449.15924	62.2
449.25534	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.251
Annotation	Mulberrofuran W
Peak:m/z	Relative Intensity
51.57833	0.9
53.03943	1.1
55.01633	1.2
55.01877	16.6
55.05516	44.8
57.03442	55.2
57.06833	1.1
57.07080	14.1
67.05508	11.4
69.07072	41.3
69.21731	1.9
69.22136	7.3
69.62428	0.9
71.08636	8.8
72.79317	0.9
79.05505	8.3
81.07057	10.7
83.04985	1.6
83.08625	36.4
84.18130	0.9
85.10172	2.7
90.98019	1.0
91.05476	2.1
93.07051	9.4
95.08622	9.9
97.06528	3.7
97.10179	20.7
98.98473	75.1
107.08611	5.9
109.10152	3.1
111.08087	2.7
111.11737	6.2
116.99528	1.4
121.10150	8.9
121.95210	1.0
123.11691	2.2
125.13224	1.1
135.11687	5.6
137.00000	84.7
137.13260	1.2
139.23277	1.0
143.33650	0.8
149.13289	1.6
155.01054	55.7
159.57549	0.9
178.02620	1.3
193.02617	13.8
211.03683	12.8
219.21150	2.2
237.22145	14.6
265.04803	1.3
293.24780	2.7
311.25827	61.2
312.26050	2.0
340.18741	0.9
342.46475	1.1
375.79294	1.0
447.25089	100.0
448.25464	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	448.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.6
57.07064	9.3
57.29511	2.3
63.88863	2.2
67.05498	3.1
68.99271	2.1
69.07076	13.9
71.06337	6.3
71.08639	8.8
81.07053	3.3
83.08623	8.9
85.10169	6.6
89.93037	2.8
95.08648	2.4
96.76596	2.2
97.10162	5.2
111.11762	6.9
112.12029	2.6
118.93909	2.4
119.08607	4.1
121.06501	9.2
128.15419	2.5
136.08878	12.2
137.09631	11.4
149.02325	15.6
149.09621	3.3
150.02678	7.7
152.08261	3.3
153.09142	2.5
164.08333	32.4
165.09111	100.0
166.09496	5.3
181.08649	4.0
205.12233	8.6
233.69565	2.6
278.34723	2.7
371.72244	3.0
430.38083	69.3
431.38333	2.7
445.02072	2.7
448.38654	7.9
459.84888	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	447.2228
Annotation	Dendromoniliside D
Peak:m/z	Relative Intensity
50.79657	4.3
51.42936	3.7
55.05525	4.9
64.24408	4.0
69.03435	7.9
70.06580	9.2
72.08171	23.3
73.04752	4.6
84.08134	4.7
85.02908	10.5
86.09708	28.1
97.02898	6.5
105.06984	4.0
107.08574	7.4
117.32809	3.7
119.08590	5.9
121.06510	7.2
123.08112	6.1
133.10144	3.9
137.06007	19.2
143.10739	4.5
151.07533	30.9
161.05998	4.3
163.07536	18.9
163.11194	7.7
170.48486	4.1
173.12793	6.3
175.07553	21.7
177.09103	12.9
189.09125	13.9
191.10690	100.0
191.14345	4.9
201.12305	6.4
224.29369	4.1
231.13644	10.0
249.14850	38.3
411.94745	4.5
447.13303	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	447.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.2
55.01867	11.3
55.05506	10.9
57.03403	3.3
60.96959	3.3
65.11666	3.9
67.05512	12.0
69.03429	9.8
69.07066	5.3
69.77337	12.6
69.77740	6.5
70.93634	3.1
71.05000	47.2
73.02893	5.2
79.05485	9.8
81.03433	20.0
81.07047	7.8
83.04975	6.1
85.02897	12.6
87.00848	10.9
91.05476	11.4
93.07059	6.6
95.08604	5.3
97.10168	7.4
99.04491	3.2
99.08125	3.4
103.05407	3.7
105.07043	12.6
107.08594	8.4
109.02898	9.6
109.06564	3.8
109.10120	8.4
111.04455	7.2
115.67747	3.1
117.01836	4.3
117.07016	5.9
119.08595	5.5
121.06523	6.4
127.03937	17.8
127.11203	96.5
128.06265	6.4
129.06989	4.8
133.10115	5.5
135.04465	4.7
135.08055	13.6
145.10159	4.4
147.08052	7.5
147.11716	4.1
149.02379	4.6
149.09637	6.4
157.10092	9.7
159.02901	10.1
159.08081	12.3
161.09653	17.9
163.03844	5.7
163.07532	6.0
168.70871	4.0
171.07985	21.9
172.08780	5.2
173.09627	16.1
175.11212	4.1
181.06322	4.5
185.09641	14.8
187.11243	5.2
189.09138	7.2
195.08159	3.9
197.09601	6.1
198.06705	4.2
199.07555	32.3
199.11235	9.5
209.09615	5.0
211.11201	6.6
213.03963	9.1
213.09222	4.5
213.12820	5.3
215.10652	6.2
217.08553	4.6
217.15857	6.8
222.10461	4.2
223.11212	4.7
225.09129	5.8
225.12721	7.3
227.10689	14.9
227.14314	11.9
229.15839	9.0
239.10803	6.6
241.15944	5.5
251.10709	7.9
253.15855	6.4
269.11783	20.5
271.16840	6.1
297.18488	17.2
307.16977	15.3
313.17938	5.2
325.18030	100.0
343.19122	14.4
429.18976	8.1
447.20261	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	447.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	6.0
57.65078	3.8
60.04536	3.9
69.03439	8.7
69.07072	6.2
70.06580	16.7
71.49039	5.9
72.08161	29.7
73.04766	4.2
81.06986	3.9
84.04501	6.9
84.08147	6.7
85.02906	14.7
86.09715	42.9
91.05807	7.3
93.07034	5.7
95.17459	3.7
97.02896	6.5
104.00665	3.8
105.07048	6.5
107.08605	4.3
119.08569	5.5
121.06450	7.0
129.10217	4.1
135.08025	4.7
137.06013	20.7
143.08478	3.9
145.02913	4.2
145.10127	6.7
147.07936	3.6
149.02335	17.7
151.07573	25.4
161.05898	4.5
163.07549	15.1
163.11116	6.1
165.08553	3.7
175.07581	25.0
177.09093	10.7
189.09042	6.6
191.10677	100.0
201.12320	5.9
231.13884	7.4
247.12852	4.9
249.14899	40.1
267.15744	4.4
273.07556	5.8
285.16763	4.7
297.93341	4.9
349.21405	4.3
361.02536	7.8
434.70377	4.4
447.12936	7.5
453.85107	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	446.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04517	10.9
62.51772	9.2
69.03428	13.8
69.07099	10.6
70.06612	14.8
70.74490	8.8
71.04063	22.2
71.18529	8.0
72.08164	17.0
73.04751	8.3
77.12406	10.6
84.08147	13.5
85.02924	20.0
86.09708	67.7
95.08624	24.7
105.07050	15.1
107.44211	9.4
126.01189	9.0
130.86748	11.2
131.04950	13.0
137.06039	26.1
148.07887	8.6
151.07561	100.0
161.05949	11.8
163.07582	25.9
175.07570	27.4
189.09143	34.3
191.10670	31.9
201.12334	10.1
231.13727	71.7
249.15016	15.7
313.12982	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	446.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19262	0.3
53.03941	0.5
55.01884	0.4
55.05498	0.9
57.03428	0.6
61.02927	0.5
69.03439	2.9
69.07079	0.6
70.79401	0.6
70.79741	0.6
79.05513	0.5
81.03400	1.0
81.07030	1.1
85.02908	10.5
85.06543	0.4
91.05457	0.6
95.08604	1.0
97.02903	2.4
105.07035	0.8
107.04949	0.5
107.08598	0.9
109.02876	1.0
109.06518	0.5
118.96592	0.4
119.08545	0.4
121.06506	8.9
121.10155	0.5
123.08054	0.6
125.05983	0.4
127.03873	1.8
129.26579	0.4
135.08046	3.2
137.05978	6.1
145.04971	1.7
145.10103	1.4
147.08031	0.5
149.02441	0.4
149.05988	7.3
149.09546	0.6
151.07555	5.2
161.06000	1.1
161.09608	0.4
163.06143	0.6
163.07533	8.0
163.11191	1.6
173.09624	1.4
174.06761	0.8
175.07552	7.5
176.08385	2.2
177.09145	3.5
179.10623	0.6
180.11002	0.6
188.08266	0.6
189.09135	2.3
191.10677	100.0
192.11018	1.6
197.11755	1.2
198.12100	1.2
224.40900	0.3
229.45296	0.4
231.13831	3.9
249.14874	12.0
267.15918	0.9
268.37851	0.4
269.40524	0.5
270.05197	0.7
285.07587	0.8
334.55072	0.4
353.15848	0.8
354.39774	0.5
446.31369	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
55.01872	6.2
55.05273	2.5
55.05518	36.8
57.07082	43.0
59.50372	1.8
65.54323	1.5
67.05504	21.3
69.03416	2.2
69.07072	75.8
70.90337	3.9
71.08636	28.6
73.04749	2.4
79.05499	18.3
81.07063	61.6
83.04986	6.7
83.08622	49.3
85.06558	2.5
85.10193	16.3
91.05438	9.0
93.06488	2.6
93.07053	37.8
93.88261	1.5
95.04959	3.6
95.08614	51.3
96.26593	1.6
97.06518	7.9
97.10172	32.6
100.60535	1.5
105.07041	7.6
107.08596	28.0
109.06474	4.8
109.10171	24.4
111.08097	12.8
111.11729	18.8
119.08583	5.5
121.06487	7.3
121.10155	15.9
123.08094	10.1
123.11710	13.0
124.05213	5.3
125.09550	2.5
125.13283	6.2
131.08549	2.3
133.10161	4.3
135.08054	2.9
135.11682	14.5
137.05995	11.7
137.09656	1.9
137.13289	4.5
139.07549	100.0
140.07870	1.9
143.08643	1.8
145.10043	1.7
147.11691	5.1
149.09587	5.4
149.13271	15.1
151.07596	8.5
151.14784	2.8
152.08365	1.9
153.12808	1.9
161.13216	1.8
163.11154	1.7
163.14854	12.1
165.05496	15.2
165.09106	21.5
167.06975	1.8
171.11720	2.7
175.11217	5.3
177.09119	5.0
177.16411	4.0
179.10728	2.4
179.17902	2.1
181.08536	2.9
189.12737	3.4
191.17953	1.8
193.08612	14.7
193.19537	1.9
195.10214	1.8
203.10716	5.5
203.14262	2.1
209.90764	1.6
217.12263	5.7
219.13754	3.6
221.03142	1.7
221.11719	3.3
225.04257	1.9
227.14334	1.7
231.13828	5.0
233.22739	2.3
235.13416	3.9
259.17010	1.8
262.01666	1.5
289.28891	13.9
307.30026	20.3
327.26932	2.0
336.87994	1.8
399.36331	1.8
417.37167	3.8
427.35538	6.0
445.36823	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01873	6.4
55.05511	27.2
56.28207	1.8
56.88358	2.3
57.05918	2.0
57.06792	3.0
57.07079	61.6
66.99711	1.9
67.05508	12.3
69.07070	51.2
69.45483	2.2
71.08635	40.2
71.42547	3.6
73.04758	2.0
73.27518	2.7
79.05482	6.8
81.07066	28.4
81.56928	2.1
83.01340	13.0
83.04975	3.7
83.08224	2.6
83.08626	33.8
85.02950	2.1
85.10190	24.4
91.05421	11.1
93.07048	10.1
95.08614	26.4
97.02890	3.7
97.06522	4.0
97.10176	20.7
99.04464	5.9
105.07035	9.6
107.08608	11.6
109.06520	51.8
109.10166	17.0
111.08069	2.2
111.11726	10.2
119.08562	9.9
121.06541	3.9
121.10141	7.5
121.28339	2.6
123.08053	12.4
123.11687	8.0
125.09626	2.4
125.13283	4.9
129.07062	3.3
129.64717	2.2
131.08578	8.4
133.10138	7.5
135.08052	19.3
135.11679	5.3
137.05988	100.0
137.09624	9.3
137.13216	4.2
139.07558	23.1
139.14812	2.6
143.08537	5.2
145.10129	3.9
147.08051	5.0
147.11699	7.2
149.09624	15.5
151.07562	37.7
151.11209	4.2
152.08362	3.4
153.09129	3.4
157.10156	4.9
159.08055	4.7
159.11792	2.8
161.09613	13.4
161.13258	4.7
163.07556	8.9
163.11183	8.6
165.09117	21.7
165.12709	2.4
165.16418	2.7
169.08725	2.8
171.11662	4.5
173.09641	5.6
175.11214	18.7
177.09146	17.3
177.12721	3.3
178.09969	2.2
179.07047	3.2
179.10655	11.4
181.08563	3.6
185.13277	2.6
187.11034	3.1
188.11954	4.0
189.09177	3.9
189.12749	16.4
191.10687	5.5
193.08598	6.3
193.12250	13.7
202.09714	2.6
203.10640	3.3
203.14377	9.6
205.12248	2.6
207.13852	17.2
217.12334	3.3
217.15852	5.0
221.15379	11.8
231.13724	5.3
231.17467	5.5
233.15315	2.2
235.13353	2.8
235.16933	12.3
245.19012	2.8
249.18477	7.3
259.20566	3.0
263.16458	2.6
263.20123	8.0
277.21667	7.6
291.19553	2.6
291.23154	6.3
305.24695	5.2
307.29828	2.7
347.29495	3.0
385.34705	29.3
399.36203	23.2
403.35748	19.0
417.31857	4.4
417.37283	52.3
427.35849	11.9
445.36813	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	445.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49084	2.3
55.01875	6.1
55.05514	2.9
61.02935	17.1
62.24491	2.7
67.05506	18.7
68.99803	24.7
69.03422	4.2
69.07079	2.8
70.52192	8.0
71.01344	3.3
79.05476	5.1
81.07059	6.1
85.02909	11.6
87.00837	10.8
91.05482	7.4
93.07025	4.8
95.05023	2.9
97.02877	5.7
105.07048	2.9
106.82285	2.4
107.04907	4.3
109.10180	11.2
111.04461	4.9
117.07090	3.8
121.06564	2.9
128.06232	4.5
129.01860	21.8
129.07036	6.2
131.08540	4.3
135.04468	3.4
141.07027	4.2
143.08588	3.7
147.02887	8.7
147.08069	4.7
155.08446	3.3
157.10086	3.3
159.08051	10.0
159.11674	3.4
161.06065	4.4
161.09634	6.1
167.08577	3.3
169.10092	3.4
171.08034	8.0
172.08853	3.5
173.05905	3.8
173.09677	10.0
174.06888	2.7
175.07542	20.0
175.11250	3.1
183.08060	6.9
185.09628	15.1
187.07573	14.0
187.11119	7.2
188.08337	3.4
189.09148	17.9
195.08134	5.4
196.08820	4.7
197.09673	14.1
198.06746	11.4
199.07498	24.1
199.11198	4.5
200.08386	7.2
201.05403	3.4
201.09163	10.6
201.12871	3.1
203.07088	3.1
203.10698	6.4
209.09639	3.1
210.10370	3.0
211.07596	7.0
211.11235	17.2
212.08305	12.4
213.09122	96.1
214.09776	12.6
215.07068	5.2
215.10696	31.1
217.08635	9.8
221.09528	3.5
223.07565	2.9
224.08234	3.3
225.09070	7.6
225.12746	2.8
226.09906	10.2
227.07085	6.2
227.10687	53.8
228.11345	3.6
229.12202	12.9
229.15877	3.1
231.13805	5.2
237.09175	3.7
239.10730	30.7
240.11414	4.7
241.08627	24.8
241.12267	14.1
243.10225	28.6
245.08080	4.8
252.11481	2.9
253.12274	11.4
253.16080	2.8
255.10133	7.3
255.13817	5.3
256.10843	3.1
257.11743	11.4
259.09686	10.3
267.10159	23.3
269.15393	83.0
270.15955	7.0
271.16901	16.2
273.11179	4.0
281.11734	10.3
283.16959	7.7
285.11224	45.4
295.16922	50.6
297.15015	6.5
299.12845	14.1
299.16446	60.0
303.12128	11.4
313.17972	6.5
323.16418	95.6
341.17477	100.0
345.13388	6.9
359.18558	9.4
389.12311	41.0
401.19476	9.0
403.13660	5.0
427.17429	7.5
445.12769	4.9
445.18616	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	445.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
54.23230	0.7
55.01868	1.6
56.96550	0.8
57.03419	1.3
61.02929	1.5
68.14324	0.5
68.70067	0.6
69.03437	6.2
70.28927	2.3
71.04996	1.3
73.02919	1.7
79.05487	1.7
81.03428	5.1
81.07058	0.5
85.02433	1.0
85.02908	11.3
85.06532	0.7
86.09671	0.5
87.00471	0.5
87.00850	4.9
87.04924	0.5
91.05467	2.1
93.07045	4.5
95.08607	1.1
97.02908	3.9
98.20908	0.7
99.04450	1.7
105.01862	2.5
105.07035	5.6
107.08605	26.4
109.02903	6.2
109.10157	1.3
119.08610	3.1
121.06503	0.6
121.10143	3.6
125.09644	0.7
127.03931	7.6
129.01863	0.9
131.08511	0.7
133.10138	14.1
135.11723	0.6
139.07556	0.7
143.08582	0.8
145.04970	2.0
149.09671	3.1
150.35065	0.6
151.07536	1.1
151.11197	5.4
153.38564	0.7
159.02896	1.8
161.09619	4.6
167.10689	10.8
179.10701	14.0
197.11749	100.0
198.12134	1.6
213.03932	1.1
231.04968	2.3
239.09512	1.9
257.10632	1.3
283.08640	1.0
359.02866	0.6
397.46585	0.6
427.16357	1.1
445.14380	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	445.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.01867	2.1
55.52892	0.8
57.03421	1.6
61.02920	0.8
64.59906	0.7
67.05503	0.9
68.99809	1.2
69.03436	6.5
70.06179	3.1
73.02915	1.4
73.04768	1.6
79.05488	1.3
81.03443	4.7
81.07045	1.7
85.02914	15.3
86.09718	1.2
87.00855	5.0
91.05485	3.4
93.07061	4.7
95.04990	1.4
95.08632	0.8
97.02899	3.9
97.06568	0.8
99.04474	2.0
105.01880	5.2
105.07021	5.4
107.08603	19.1
109.02901	4.6
109.03515	0.7
109.10149	2.0
117.27284	0.8
119.08583	3.1
121.06470	1.9
127.03942	8.2
129.01799	0.9
133.10143	18.8
135.11697	16.5
137.05962	1.2
137.09683	1.3
145.04977	2.3
151.11157	1.7
161.09637	10.8
179.09105	1.6
179.10687	31.9
197.11746	100.0
198.12160	1.4
231.04985	2.1
265.14801	0.7
268.44156	0.7
306.51416	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45055	0.8
55.01874	2.3
55.05510	2.9
57.03435	2.9
57.07076	1.1
61.02921	3.5
61.08804	0.8
67.05499	5.5
68.99789	7.4
69.03424	3.0
69.07063	2.3
69.91064	3.8
69.91471	1.7
70.06626	0.8
71.01353	0.9
71.04990	9.8
71.08654	1.0
73.04733	1.5
79.05499	1.6
81.03418	1.4
81.07059	2.2
85.02435	1.5
85.02912	19.0
85.06536	1.0
87.00835	3.4
91.05479	1.8
93.03393	0.9
93.07030	2.2
95.04949	1.4
95.08608	1.4
97.02903	2.7
97.06544	1.0
97.10157	1.8
98.06696	0.8
105.07046	3.2
107.04964	1.7
107.08633	1.9
109.02898	1.2
109.06519	1.0
109.10154	3.7
111.04467	3.8
117.07036	1.5
119.08585	2.4
121.06511	1.4
123.04479	1.4
125.09666	1.0
127.03927	1.5
127.11196	12.7
128.06183	1.7
129.01842	3.1
129.06995	2.3
131.04936	1.5
131.08582	2.2
133.10101	1.6
135.04427	2.3
135.08043	1.4
137.06009	2.0
141.06944	1.2
142.07819	1.6
143.08580	2.5
145.06516	2.2
147.02962	1.6
147.08069	1.4
149.06007	1.1
155.08511	1.1
156.09320	1.0
157.06493	0.9
157.10155	2.5
158.07234	1.3
159.03017	0.9
159.07991	2.0
160.05228	0.9
161.05943	2.8
161.09630	4.1
163.03932	1.4
163.07611	1.2
163.11143	1.4
165.07021	1.1
167.08524	1.4
169.06494	1.1
169.10117	1.3
171.02937	6.8
171.08063	1.4
173.09676	2.4
174.06866	1.3
175.07529	8.1
175.11267	1.1
177.05504	2.2
177.09064	1.3
183.08064	2.3
185.06006	1.1
185.09608	4.2
187.07530	6.3
187.11064	1.5
189.09123	6.8
191.10681	1.2
195.08044	1.9
196.08858	1.5
197.05977	1.1
197.09648	3.7
198.06790	3.5
199.07538	7.3
199.11157	2.2
200.04697	1.0
200.08339	2.8
201.05365	1.0
201.09142	5.3
209.09669	1.1
211.07587	2.8
211.11217	4.3
212.08362	3.3
213.09132	19.3
213.12646	1.3
214.09848	3.2
215.07048	27.7
215.10541	6.6
217.08658	2.7
221.09560	1.3
224.08304	1.1
225.09039	2.8
225.12709	1.1
226.09843	2.6
227.07059	3.3
227.10657	13.2
227.14287	1.6
228.11517	1.3
229.08589	2.9
229.12199	4.3
231.13922	1.7
237.09154	2.3
239.10677	7.7
241.08618	11.7
241.12283	4.8
242.09355	4.4
243.10216	7.3
243.13821	1.5
245.08159	1.5
245.15443	2.7
253.08592	1.0
253.12251	3.4
254.13116	1.0
255.10162	4.8
255.13838	1.3
257.11765	3.9
257.15414	1.4
259.09702	2.8
267.10193	8.1
267.13553	1.1
269.12250	1.5
269.15411	14.1
271.17090	2.0
281.11679	2.6
281.15356	1.0
283.13400	1.0
283.16748	2.3
285.11194	16.0
295.16910	10.1
297.14923	1.6
299.12814	4.2
299.16467	9.8
303.12347	2.5
313.17938	2.6
323.16434	20.6
341.17490	100.0
342.17807	3.2
358.56317	1.1
359.18463	3.2
389.12326	8.8
401.19827	1.9
427.17545	3.0
445.18674	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.9
56.05021	1.8
57.03430	2.0
61.02923	2.9
67.05499	1.8
68.99802	2.6
69.03432	6.8
70.06606	10.6
71.50754	2.1
72.08138	6.4
73.02913	1.8
73.04752	9.0
79.05492	4.4
81.03424	6.7
81.07064	10.2
84.08122	3.6
85.02916	12.1
86.09707	5.8
87.00806	2.8
91.05389	3.7
91.05801	10.9
93.07050	2.7
95.04966	3.0
97.02898	5.8
97.06558	1.9
105.01916	2.0
109.02872	4.9
109.06542	9.8
112.29597	1.7
113.02332	2.8
116.37055	1.8
119.04938	20.2
119.08573	2.1
121.02878	1.8
123.04424	7.3
127.03972	8.5
129.10265	2.2
133.06474	1.7
136.07599	3.2
137.05984	48.2
141.01837	13.7
145.05070	1.9
147.04390	4.4
149.99898	1.9
151.07570	3.0
156.04181	72.3
163.07506	3.4
165.05484	75.8
167.05580	5.6
167.06947	2.5
169.04910	8.4
175.07623	2.6
179.07018	5.9
197.08105	100.0
198.08533	2.0
209.01183	2.0
213.16116	2.5
221.08040	2.0
229.15540	3.7
236.14662	1.9
265.14304	2.3
316.52585	1.7
320.64294	2.0
342.99664	2.3
359.03003	9.6
445.15646	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	443.298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05827	0.5
60.05654	7.2
61.40587	0.4
62.87559	0.4
65.38276	0.4
67.05515	0.8
69.03437	1.0
69.07070	8.7
70.06596	21.4
70.98938	1.0
71.04989	1.0
72.08153	1.1
77.85874	0.4
79.05478	0.7
81.03432	0.6
81.07050	0.8
83.05009	0.5
84.08150	0.5
85.02912	1.7
86.09711	100.0
87.10045	0.8
91.05502	0.8
93.07037	1.1
95.04996	0.9
95.08604	1.0
97.02899	1.1
97.06532	0.7
97.07659	0.5
99.04439	0.5
101.06046	0.4
105.07022	0.9
107.08592	1.0
109.02876	0.5
109.06539	0.7
109.10171	1.0
112.08753	3.5
113.07094	0.8
113.54305	0.5
114.05528	0.5
114.10326	0.4
115.08682	3.7
116.07109	8.2
119.08585	0.7
121.06531	0.6
127.03927	0.6
128.10730	15.6
130.09769	2.8
131.08588	0.5
133.09882	0.6
135.08064	0.8
137.05965	0.4
137.09615	0.8
141.74245	0.4
145.10121	0.5
151.07561	0.5
156.10162	1.1
156.11336	8.4
157.10924	0.8
158.09264	7.6
158.97343	0.4
168.04825	0.6
175.07571	0.4
175.11928	18.9
177.05449	0.5
195.10170	0.4
199.18044	0.5
226.15479	0.5
229.12247	0.8
234.99008	0.9
253.12399	0.4
263.16409	1.2
269.18713	1.0
271.17654	8.8
281.17526	0.5
288.20291	0.8
300.15381	0.4
339.16092	0.7
340.47614	0.5
405.84570	0.4
407.16324	1.1
418.84686	0.5
425.17285	1.1
425.28546	0.7
443.29807	83.1
444.30151	1.8
454.86490	0.4
465.07230	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
55.01859	0.2
57.03422	0.3
58.51718	0.1
59.05012	0.3
59.17811	0.2
60.62080	0.1
61.02920	0.3
61.62897	0.1
64.24059	0.2
64.55582	0.2
69.03088	0.2
69.03432	3.1
69.76806	0.3
69.77213	0.6
70.06593	0.3
71.04984	0.6
73.04761	0.3
81.03414	0.6
83.29508	0.2
85.02898	1.3
87.04472	0.7
94.04057	0.6
97.02894	0.9
98.97591	0.4
99.04465	1.0
101.06009	0.4
102.47083	0.2
109.02856	0.2
110.97542	0.2
113.05994	0.2
115.03976	0.2
119.03561	1.7
122.07173	0.6
123.07922	0.4
127.03893	0.2
127.27593	0.2
129.05513	0.2
136.06194	100.0
137.04576	0.6
137.06532	0.6
147.06503	0.4
279.04022	0.2
281.10806	0.2
282.12003	2.7
298.11514	0.3
300.02551	0.2
359.02789	0.2
379.88748	0.2
381.04929	0.3
396.78320	0.2
427.53418	0.2
440.94403	0.2
444.17206	4.3
449.03122	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	443.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43747	6.4
55.01876	7.5
55.05517	43.5
56.11177	5.7
57.03426	5.5
67.05513	48.1
69.03398	5.5
69.07082	27.2
71.05003	37.8
71.51278	6.4
72.85641	5.1
79.05487	25.6
81.07078	40.0
83.04988	15.5
83.08621	15.6
91.05510	25.4
93.07059	15.8
95.08623	21.1
97.06479	8.1
97.10194	21.9
101.31627	5.3
105.07044	28.1
107.08620	41.8
109.10166	44.9
111.74998	5.9
117.07030	13.3
119.08605	16.1
121.06557	8.4
121.10163	6.6
125.09625	67.3
127.11195	46.5
129.07018	15.7
131.08566	17.7
133.10173	6.6
135.04442	24.5
135.11678	7.2
137.06007	6.0
141.06987	9.5
142.07822	5.8
143.08600	20.8
145.06496	8.5
145.10130	7.5
149.05954	6.8
154.86665	5.6
155.08534	15.7
157.06490	8.0
157.10176	12.1
159.08131	12.3
159.11684	12.9
161.09677	6.6
165.07039	8.3
167.08624	11.6
169.10139	24.6
171.08051	39.4
171.11705	9.5
175.07607	8.0
179.08563	8.8
180.09428	5.4
181.10103	12.3
183.08055	13.3
183.11702	15.2
185.09590	16.5
187.07573	16.4
189.09067	5.6
192.09372	9.3
193.10129	17.8
195.08051	16.6
195.11725	17.0
197.09584	36.0
199.07675	9.6
199.11243	7.9
201.09172	12.7
205.10190	6.4
207.11723	18.3
208.08905	8.0
209.09605	50.9
209.13368	8.8
210.10376	8.5
211.11189	18.0
213.09111	11.3
215.10634	8.4
215.64078	5.2
221.09689	7.4
223.11212	31.6
225.09207	8.3
225.12863	12.6
229.12242	7.6
235.11194	26.6
247.13423	9.5
253.16139	5.6
265.16174	6.9
281.15326	8.3
283.16898	10.0
295.17068	7.1
295.20557	12.4
319.20602	16.1
321.18570	15.0
327.19562	6.7
333.18698	7.3
335.20071	19.7
337.18054	8.1
337.21460	30.0
339.19531	14.1
349.21774	7.2
351.19556	14.0
353.21237	9.2
361.25162	7.2
369.20685	10.0
379.26620	7.6
389.24829	52.8
407.25797	100.0
425.26794	54.7
443.28088	26.1
444.40479	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.8
55.01870	4.5
55.05511	29.3
57.03424	7.9
57.07074	2.8
59.04982	8.2
61.02913	7.5
66.65309	1.9
67.05505	4.2
67.14604	1.9
69.03089	2.3
69.03430	22.6
69.07059	2.6
70.06584	4.2
70.35813	7.9
71.04961	3.1
73.02903	2.6
79.05484	8.5
80.82689	1.8
81.03409	8.1
81.07052	11.4
83.04982	39.7
85.02907	63.0
85.06534	6.5
86.60167	1.9
91.03957	2.9
91.05479	11.3
93.07032	10.8
95.04958	19.3
95.08604	6.0
97.02901	15.0
99.04449	2.1
99.16477	2.5
101.06023	23.8
105.07041	15.9
107.08591	16.3
109.02882	5.3
109.06524	13.2
109.10138	4.9
111.08060	2.2
115.05380	3.1
117.07019	4.9
119.08565	19.7
121.06483	5.7
121.10141	18.8
123.08061	4.8
125.05985	3.2
127.03954	10.2
129.07014	3.1
130.07819	2.6
131.08548	6.9
133.10147	11.8
135.08023	6.8
135.11693	5.2
137.05960	3.8
137.09607	6.5
143.08540	7.3
145.04970	9.9
145.06416	4.2
145.10112	14.7
147.08038	23.2
149.09625	2.2
151.07582	4.0
157.10162	4.1
159.08051	5.7
159.11649	7.1
161.09645	10.1
161.13240	2.6
163.11185	100.0
165.09070	4.6
171.11742	4.1
173.13246	2.4
177.09126	12.5
179.10693	4.0
181.12248	32.0
185.13278	5.3
187.11183	4.6
189.09100	6.8
199.14767	3.1
203.14293	7.2
205.12161	4.1
207.10185	19.4
215.14061	2.9
223.13257	3.6
227.14384	4.2
233.15381	5.8
245.15416	17.3
253.27666	2.1
263.16418	45.7
281.17456	24.1
407.20782	2.1
425.22076	3.4
443.17383	8.0
443.22751	20.9
464.03607	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	443.1893
Annotation	Asn Phe Tyr
Peak:m/z	Relative Intensity
54.95989	0.7
55.05503	1.6
56.05036	1.4
67.05498	1.2
67.56945	0.7
69.03412	1.1
71.50214	1.0
72.08163	0.9
74.06071	3.0
79.05479	0.9
81.03410	0.7
81.07063	1.0
83.04980	2.9
85.06531	0.9
86.09714	1.6
93.07047	1.8
95.08620	1.1
105.07039	1.9
107.08633	1.2
119.08617	1.4
127.07556	0.8
137.25513	0.6
162.02182	0.8
175.07411	0.7
215.52911	0.8
249.14598	1.6
251.12692	4.3
293.13589	0.8
311.14630	11.2
335.18344	1.1
379.17081	0.7
381.18967	2.8
383.16666	1.2
392.27969	0.7
397.18353	7.5
399.19846	1.0
425.17639	4.7
443.18900	100.0
443.24127	4.3
444.19226	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	443.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.8
54.81800	2.3
55.01863	5.6
55.05514	13.0
57.03421	7.4
59.04987	2.9
60.68471	2.1
61.02937	15.4
65.63618	2.1
67.05489	9.2
67.67783	1.9
69.03101	2.9
69.03436	38.5
69.07073	2.9
69.38239	16.1
70.06579	7.6
71.04983	6.5
71.58038	1.9
73.02919	5.6
79.05486	7.6
81.03416	12.0
81.07059	10.4
83.04986	25.5
84.08171	2.4
85.02911	100.0
85.06536	7.2
86.09680	2.3
87.04437	5.7
89.03633	2.2
91.03947	2.3
91.05489	11.4
93.07052	20.2
95.04970	19.7
95.08586	5.8
97.02895	34.7
99.04434	6.6
101.06007	7.5
105.07031	15.7
107.08599	16.1
109.02893	10.9
109.06520	7.3
109.10167	19.3
111.04421	8.9
117.07029	4.6
119.08585	30.3
121.06487	4.9
121.10142	27.0
123.08071	4.9
123.11656	5.0
123.73109	2.0
127.03909	20.9
128.06163	2.8
129.05429	2.1
129.07008	4.3
131.08559	9.6
133.10147	15.9
135.08040	10.5
135.11723	9.9
137.05922	2.3
137.09610	23.2
141.07001	2.8
142.07768	5.0
143.08543	9.4
145.04932	14.9
145.10138	17.7
147.08041	4.4
147.11684	7.6
149.09602	5.1
151.07617	2.4
151.11230	2.5
156.09294	2.4
157.10147	10.9
159.08057	73.7
159.11696	8.9
161.09608	11.9
161.13213	5.4
163.11188	51.6
165.09221	3.5
169.10133	2.9
171.11684	6.2
173.09590	2.1
173.13260	4.0
175.11166	8.2
175.14781	2.7
177.05516	2.5
177.09093	16.8
177.12718	2.3
179.08542	3.0
181.12216	17.4
183.11729	2.9
185.09601	5.6
185.13280	12.9
187.11128	9.2
187.14774	2.3
189.12766	3.4
191.10614	3.5
199.14742	5.9
201.12750	6.6
203.14311	17.6
205.12276	4.5
209.13255	7.1
212.11908	2.5
215.14313	7.8
217.15858	7.2
219.13777	8.7
227.14268	12.2
233.15331	8.4
245.15364	49.7
245.17719	4.1
263.16431	69.6
281.17462	14.1
399.16293	2.8
404.77853	2.2
438.77414	2.1
443.14194	3.5
443.23083	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	443.16
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03474	3.9
55.04254	3.3
61.02918	0.8
68.86729	0.5
69.03439	2.0
70.02967	0.5
71.31378	1.0
73.02935	0.7
80.04987	1.3
81.03446	0.7
81.04549	21.5
82.05321	9.1
85.02917	2.7
87.28384	0.6
97.02914	1.4
100.72229	0.6
108.05619	1.0
109.02841	0.7
110.07162	0.9
122.07162	100.0
123.07944	99.9
136.06178	4.1
144.04782	0.8
144.34799	0.6
156.91118	0.8
160.04297	2.3
165.07738	3.9
172.04335	1.4
281.10690	61.5
282.11310	1.0
323.11740	0.9
443.15997	76.6
444.16364	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	443.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.5
67.05499	0.4
67.19195	0.4
75.06445	0.3
81.07033	0.5
85.02898	0.5
85.06550	0.6
105.07001	0.6
185.04237	0.8
195.13570	3.0
223.13065	0.7
227.05247	0.7
235.16389	0.4
237.14665	0.5
271.04138	0.8
357.18826	10.2
357.23267	0.6
357.84454	0.4
381.18811	0.4
399.19919	41.3
400.20221	1.1
403.87802	0.4
443.18909	100.0
444.19009	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	443.189
Annotation	Unknow
Peak:m/z	Relative Intensity
77.50027	0.4
85.02888	0.5
93.07007	0.5
98.20719	1.1
105.07037	0.7
109.10143	0.5
122.29754	0.5
127.03912	0.5
141.49966	0.5
146.17378	0.5
160.35201	0.5
167.08763	0.6
185.04129	0.5
195.13565	2.1
227.05225	0.6
339.17868	0.6
357.18839	9.4
381.19061	0.6
399.19907	38.9
400.20172	0.8
441.04291	0.5
443.18893	100.0
444.19125	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	443.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	15.4
55.01877	16.8
55.05503	5.6
57.03448	11.6
61.02929	10.9
65.03943	2.3
68.99807	11.5
69.03437	44.7
69.07012	2.5
69.15764	12.9
69.16184	8.6
71.04977	9.4
73.02923	12.4
79.05502	6.6
81.03425	61.2
81.07042	4.5
83.04977	4.9
85.02912	100.0
85.06543	7.5
87.00313	3.3
87.00836	46.2
91.03941	2.8
91.05469	9.5
93.03412	2.1
93.07032	4.9
95.04968	6.2
95.08622	3.5
97.02905	64.6
99.04457	22.7
100.11220	2.5
103.03954	3.4
103.05456	7.2
105.01889	22.8
105.07055	15.2
107.04969	11.1
107.08608	6.5
109.02885	52.3
109.10077	2.2
111.04443	7.6
115.05473	5.0
117.01854	7.0
117.07008	4.4
119.08568	6.3
121.06499	4.4
121.10149	5.2
123.04400	4.4
125.02320	2.8
126.49757	2.1
127.03925	79.5
129.01817	8.4
129.06947	2.9
131.04926	3.8
133.06468	9.6
135.08064	24.2
139.03906	14.5
143.08467	2.6
145.04976	27.3
145.06117	3.3
145.06480	3.0
147.02884	5.4
147.04315	2.5
147.08084	4.9
149.13251	2.6
151.03914	2.6
154.06250	31.5
159.02904	27.5
159.08018	3.0
159.11732	2.5
160.08788	3.4
161.05986	5.2
163.03836	4.9
163.07545	13.8
167.07082	21.4
171.02930	2.4
171.07884	2.0
172.44496	2.2
173.05965	6.4
175.07565	4.7
178.06270	14.5
182.80408	2.1
187.07524	5.6
189.05441	4.1
189.09071	2.9
191.06900	3.6
191.10631	4.5
192.07671	2.6
193.08598	3.9
195.08369	4.8
195.10184	82.8
195.13913	2.5
204.07916	4.6
205.08586	5.8
207.10147	8.0
207.13818	2.2
213.03873	4.9
217.08586	2.5
219.10194	23.7
220.07312	3.8
231.04950	6.6
231.10187	4.4
232.69379	2.3
246.08876	3.8
257.11670	3.1
261.11227	9.3
285.11237	8.7
303.12189	8.8
329.56039	2.3
443.18405	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	441.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
55.01871	4.0
55.05507	7.6
57.03427	2.7
67.05507	13.1
69.03426	19.1
69.07063	10.6
70.86610	5.6
71.05011	5.1
79.05508	6.8
81.03419	12.7
81.07082	15.2
83.04993	17.5
83.08621	3.4
84.08141	3.8
85.02905	20.8
85.06533	2.7
87.00842	9.8
88.52686	2.9
91.05462	8.1
93.07036	15.7
95.04966	12.8
95.08614	16.3
97.02914	7.9
97.06516	5.0
99.04450	3.0
100.71191	2.6
103.05464	15.2
105.01882	4.3
105.07043	17.6
107.08621	15.8
109.02893	7.8
109.06494	5.8
109.10143	14.8
115.03919	3.1
119.08585	43.8
120.08087	2.8
121.06492	5.5
121.10114	10.0
123.08070	4.7
123.11677	4.9
125.06035	3.1
127.03967	13.1
131.04944	21.9
131.08559	6.0
132.00746	2.6
132.05302	3.7
133.10144	46.7
135.08083	5.8
135.11731	17.6
137.05975	6.6
137.09618	21.1
145.04980	4.5
145.10172	6.1
147.08081	3.8
147.11670	6.5
149.09650	3.1
149.13222	3.9
151.07565	3.3
159.11700	5.0
161.05814	3.1
163.07545	7.3
171.02945	3.3
173.13251	3.3
175.11305	5.6
175.13301	5.5
175.14828	100.0
176.15175	2.8
177.09204	2.8
177.16351	2.5
184.43462	2.4
185.09651	3.3
193.04965	21.5
193.15889	20.2
203.14313	2.6
231.04901	4.0
235.16710	2.8
301.17963	7.2
319.19037	8.4
405.19128	3.5
441.16949	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3732
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
51.86142	0.8
55.05501	2.3
57.07072	1.9
67.05515	4.1
69.03447	1.0
69.07079	6.7
70.69614	2.5
74.29795	0.9
76.36089	0.9
79.05500	1.9
81.07060	8.2
83.04988	1.8
83.08623	2.0
87.04482	1.3
87.55572	0.8
91.05474	1.7
91.49760	0.8
93.07056	5.1
95.08618	13.2
105.07047	4.4
107.08607	8.4
109.10167	7.8
117.07059	1.2
119.08593	6.1
121.06467	1.5
121.10152	7.2
123.08076	1.1
123.11718	4.1
131.08592	1.7
133.10149	5.3
135.08078	3.2
135.11673	5.6
137.09665	0.9
137.13260	2.8
143.08629	0.8
145.10139	2.2
147.11679	3.1
149.09627	9.0
149.13287	1.8
159.11705	2.8
161.13292	3.7
163.11249	2.2
173.13295	1.5
175.14801	1.5
177.16397	2.4
179.14209	0.9
185.13264	1.7
187.14877	2.0
189.16431	3.6
191.17947	1.0
199.14917	1.1
202.21709	1.0
215.17961	1.9
233.18999	1.5
235.16953	3.1
261.22192	0.8
282.79221	1.0
287.23718	3.2
351.92877	0.8
441.37335	100.0
442.32483	0.9
442.37378	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.2
56.05029	1.9
56.05845	1.4
66.29636	1.0
67.05503	2.6
69.03413	3.0
69.07035	1.4
70.06583	3.7
71.51318	1.5
74.06089	3.6
79.05517	2.3
81.03419	1.8
81.07066	3.9
83.04997	7.9
84.05317	1.9
84.08156	1.3
85.02918	1.4
86.06048	1.0
86.09708	2.0
87.00832	1.1
91.05482	2.8
93.07041	4.5
95.04988	1.9
95.08615	3.2
97.02898	1.0
99.08128	0.9
105.07021	2.4
107.04964	1.4
107.08580	2.3
109.06510	1.2
109.10169	2.2
116.07084	1.8
117.07046	1.1
119.08607	2.2
121.06503	1.6
121.10200	1.5
127.03940	1.9
127.07551	1.2
127.63951	1.0
129.06978	1.6
133.10164	2.7
135.11699	2.1
137.09641	2.3
145.10152	1.2
149.09700	1.3
157.10258	1.0
170.74983	1.3
193.04930	1.2
193.12198	1.4
203.05217	2.1
226.49895	1.0
238.83746	1.0
245.06383	6.8
261.11154	1.4
262.11554	4.2
269.05124	1.0
289.05316	87.3
323.16882	1.1
340.17828	1.3
341.18027	4.1
355.17209	2.1
397.18365	12.1
423.16351	6.8
441.17377	100.0
441.22855	7.1
442.17807	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	441.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
54.21228	1.0
55.01868	3.6
55.05510	5.0
57.03435	2.2
57.07061	1.5
59.04995	1.0
61.02918	1.6
67.05241	0.9
67.05512	11.0
67.63825	0.9
68.99778	3.3
69.03157	0.8
69.03438	9.9
69.07082	5.5
69.34906	1.9
69.35333	5.7
69.51566	0.8
70.06576	1.1
71.01376	1.3
71.04977	2.0
73.02895	1.0
74.06078	1.0
79.05489	6.5
81.03424	6.0
81.07068	10.3
83.04991	16.3
85.02915	9.4
85.06511	1.7
87.00824	4.1
91.05486	5.5
93.07050	9.1
95.01292	2.3
95.04974	22.7
95.08618	9.9
97.02909	3.5
97.06509	3.8
99.04457	2.3
99.08059	1.0
103.03929	2.3
104.47920	0.9
105.01886	1.7
105.07040	8.2
107.04960	1.8
107.08611	11.3
109.02859	4.6
109.06541	5.8
109.09497	1.2
109.10168	18.1
111.04453	1.2
111.08081	1.7
115.03889	1.5
117.07066	2.5
118.81989	1.0
119.08578	8.4
121.06495	4.0
121.10173	6.6
123.04482	1.1
123.08059	2.2
123.11735	1.8
125.05993	3.7
127.03903	4.2
128.06218	1.6
129.01801	0.9
129.06995	2.0
131.08553	3.6
133.10147	8.7
135.08073	9.0
135.11705	8.7
137.05992	2.3
137.09628	11.2
139.11259	1.2
143.08620	1.1
145.10063	4.4
147.02855	1.1
147.08015	2.1
147.11705	2.6
149.05971	2.8
149.09598	2.2
151.07545	2.0
151.11244	2.2
153.01849	1.4
157.10126	2.5
159.02942	1.3
159.08063	1.2
159.11760	2.1
161.05927	1.0
161.09612	2.2
163.07556	1.8
163.11119	1.5
167.07037	2.2
171.02872	1.1
171.11658	1.4
173.09659	1.9
173.13223	2.6
175.11198	1.7
175.14769	5.0
177.09135	1.4
179.07091	1.0
179.10674	9.6
184.37064	1.0
185.13174	1.2
187.14900	1.1
189.03903	3.1
189.09055	1.0
191.06990	1.4
191.10693	1.5
191.14276	1.5
193.04980	100.0
193.15892	10.0
195.06540	1.2
199.11133	1.3
205.15916	1.7
209.15378	1.8
215.14262	1.3
217.12210	1.3
217.15829	2.7
223.17010	1.4
233.11455	1.1
235.16884	2.2
245.11736	1.8
247.62297	0.9
249.57021	1.1
260.27621	1.0
261.07510	2.3
283.16956	1.3
290.69931	0.9
301.17871	3.4
319.19086	2.9
367.13754	1.0
383.94363	1.1
386.05884	1.2
405.18863	1.8
423.20166	1.6
441.10278	1.5
441.15970	1.4
441.21530	3.3
465.51184	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1527
Annotation	Pharacine
Peak:m/z	Relative Intensity
55.05516	9.9
70.50138	9.5
70.50483	21.9
71.66612	7.8
71.99865	7.8
83.04950	11.4
98.97552	13.5
112.99154	8.4
146.35645	8.3
244.80920	8.8
373.15454	16.6
401.68646	10.0
441.15216	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65884	1.1
56.67653	1.1
56.96575	2.4
57.17830	1.3
69.03431	2.1
69.79607	3.5
69.80016	2.9
70.06596	2.4
86.09658	1.3
98.20860	2.2
98.97600	2.1
113.02137	1.3
181.09619	1.1
185.04181	3.5
204.07607	1.9
235.10056	1.9
251.09557	1.5
261.07831	1.5
279.09589	9.5
279.12463	2.0
297.10089	8.7
315.11215	1.7
339.11072	2.6
441.17490	100.0
442.17493	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	441.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	10.0
63.28522	5.5
70.71634	20.8
74.68529	6.0
81.07086	7.3
83.04969	13.5
98.97572	18.6
139.75639	6.6
178.17627	6.3
341.33276	6.4
373.15192	13.2
399.25037	6.7
418.84076	6.7
441.15170	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1735
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
50.36914	0.4
50.40912	0.4
50.51258	0.5
58.00267	0.4
62.47575	0.4
62.82829	0.4
63.68573	0.4
69.78152	2.6
70.06607	0.9
85.02905	0.6
90.03481	0.4
95.01099	1.4
96.01888	0.7
112.01382	0.8
113.02172	1.6
121.06554	0.5
125.09701	0.5
126.02897	0.5
151.07623	0.6
175.07639	0.7
185.04274	3.1
189.05302	0.5
193.04994	1.6
201.03693	1.0
203.05293	0.5
204.07574	2.7
259.08041	0.9
279.09381	0.7
279.12143	1.4
297.10175	1.3
304.93787	0.5
373.10242	0.5
376.30914	0.5
441.17407	100.0
442.17789	2.5
445.44824	0.5
459.16089	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1526
Annotation	Pharacine
Peak:m/z	Relative Intensity
56.96559	9.1
57.91712	3.7
69.03417	4.1
70.06595	29.2
70.22470	7.1
70.22874	10.6
72.08158	7.5
85.02888	4.6
92.87831	3.6
93.77169	4.1
98.97582	30.7
100.11221	4.1
106.13017	3.7
110.97549	8.7
116.02305	3.2
116.98653	6.8
128.98582	4.9
131.04918	5.7
136.07581	6.3
137.06001	5.3
140.92003	3.5
158.99644	7.9
163.07549	5.1
167.07027	4.5
177.00693	3.9
193.04935	10.2
219.01738	9.4
237.02899	10.1
253.13467	3.7
297.10034	9.4
304.11661	4.5
321.10159	4.7
339.11087	7.1
423.13666	4.6
441.15295	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.2
55.01866	0.4
55.05492	0.6
57.03429	0.2
63.95424	0.2
67.01866	0.5
67.05517	1.0
68.99787	0.7
69.03438	1.4
69.07056	0.5
69.78598	0.9
70.06572	0.2
71.05010	0.2
72.83244	0.1
74.06068	0.4
79.05486	0.6
80.57533	0.2
81.03414	0.7
81.07050	1.0
83.04983	1.8
84.08147	0.2
85.02911	1.6
86.09731	0.2
87.00835	0.4
91.05470	0.7
93.07056	1.3
95.04980	2.6
95.08627	0.9
97.02876	0.4
97.06557	0.3
99.04438	0.3
105.07039	0.7
107.08614	1.0
107.09196	0.2
109.02885	0.6
109.06530	0.5
109.10175	1.4
111.04456	0.4
111.08077	0.2
119.08588	0.7
120.08152	0.2
121.06472	0.2
121.10133	0.8
123.08060	0.5
125.05986	0.7
127.03938	0.8
129.01741	0.2
131.08594	0.4
133.10091	0.8
135.08067	1.0
135.11688	1.0
137.06007	0.5
137.09618	1.0
143.08580	0.2
145.10172	0.4
147.04413	0.6
147.08083	0.2
147.11617	0.2
149.05930	0.3
149.09656	0.2
151.03946	0.4
151.07539	0.3
151.11159	0.3
153.01836	0.6
157.10114	0.2
159.11699	0.2
163.14883	0.2
167.06996	0.2
169.04950	0.4
173.13309	0.3
175.03920	0.2
175.14799	0.4
179.10677	1.2
185.13307	0.2
189.03946	0.2
191.14314	0.3
193.04980	100.0
193.15913	0.7
194.05309	1.5
196.86040	0.2
203.10580	0.2
215.10783	0.2
217.15872	0.3
217.82755	0.2
251.16496	0.2
261.07648	0.4
281.79669	0.2
283.16663	0.2
289.05377	0.7
301.18140	0.2
319.18964	0.2
355.10406	0.4
397.18341	0.3
405.19043	0.2
441.10327	0.8
441.17288	3.0
441.22217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3423
Annotation	Mimosaside A
Peak:m/z	Relative Intensity
53.03939	6.1
55.05512	37.3
57.07080	22.8
65.03942	4.3
67.01871	7.8
67.05507	67.0
68.99795	48.6
69.07072	46.8
70.55005	8.2
71.01364	3.4
71.08634	17.0
77.31879	2.4
79.05493	20.4
81.03419	5.9
81.07063	79.1
83.04973	12.7
83.07789	2.4
83.08627	42.8
84.75371	2.5
85.10174	7.5
87.00848	4.7
89.06033	6.6
90.06389	2.7
91.05478	11.7
93.07052	14.5
95.04964	8.0
95.08612	84.1
97.02917	2.6
97.06532	6.6
97.10173	39.1
99.04448	4.5
103.94256	2.2
105.07055	14.7
107.04964	3.9
107.08584	11.9
109.06523	5.5
109.10165	42.0
111.00808	94.5
111.04426	7.2
111.08094	4.5
111.11706	17.0
117.07003	2.6
119.07549	1.9
119.08592	13.0
119.64529	2.2
121.10187	11.8
123.04478	3.1
123.11700	21.4
125.09608	2.7
125.13249	6.6
126.55711	2.3
127.02970	5.2
127.03925	100.0
132.65619	2.4
133.08635	5.7
133.10139	9.8
134.08855	2.9
135.11740	7.5
135.13667	2.2
137.09630	4.0
137.12323	2.3
137.13257	11.5
139.03897	29.1
139.07523	4.1
141.07088	2.2
145.10214	5.1
147.11670	6.1
149.09680	3.3
149.13264	5.3
151.07555	3.4
151.14824	3.4
153.05489	16.2
155.03360	4.8
157.08672	3.4
157.10146	3.8
161.13289	4.5
165.09195	3.4
167.07118	5.4
175.11247	3.6
175.14839	3.4
185.13258	3.7
189.70386	2.4
209.11685	4.3
221.11655	3.2
223.13210	4.3
235.13200	3.6
237.14871	3.9
239.14975	4.1
240.15251	3.2
251.16423	2.8
263.16382	3.5
277.17963	4.6
277.28964	8.1
295.30014	6.7
301.28860	3.5
305.21341	4.2
319.30069	4.3
347.26038	3.1
361.31049	6.8
385.30899	3.2
403.32037	54.7
421.33224	34.6
439.35831	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	13.8
57.03373	3.1
67.05514	13.2
69.07075	13.9
69.21974	26.2
74.79060	2.9
79.05485	9.8
81.07060	26.0
83.08612	10.6
89.06045	15.3
90.06393	2.8
91.05476	9.8
93.07047	29.0
95.08612	68.2
97.10167	7.9
97.41388	2.8
105.07029	24.5
107.08606	50.0
109.10170	34.5
119.08595	54.5
121.10155	42.8
121.16731	2.7
123.11726	11.4
131.08542	4.7
133.08612	6.3
133.10150	36.5
135.11707	31.3
137.13274	4.8
143.31812	3.2
145.10164	8.0
147.10655	3.8
147.11705	33.9
149.13269	11.0
153.09109	7.8
157.10155	3.5
159.11679	6.2
161.13309	17.4
163.14841	19.9
167.10719	5.8
175.14821	14.0
177.16383	13.9
187.14864	4.1
189.16388	43.3
191.17952	100.0
201.16391	6.4
203.17969	86.1
205.19530	28.1
205.63771	3.0
215.17998	5.9
217.19507	12.5
221.19025	3.7
222.28224	2.5
229.19592	2.7
231.17493	3.7
231.21170	6.5
235.16985	5.7
239.14963	5.4
245.22646	3.3
247.17027	5.5
249.18460	23.3
250.12273	2.8
299.89850	3.0
393.35168	8.4
439.35797	25.0
448.50537	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	439.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	55.5
57.07077	33.9
57.90026	7.4
61.02922	7.1
67.05510	52.0
69.07071	100.0
69.52662	14.6
69.53064	29.6
71.08628	27.3
79.05489	75.3
81.07052	75.1
83.04978	13.8
83.08625	43.9
84.68709	6.9
89.06083	9.7
91.05476	38.1
93.07047	78.3
95.04986	12.7
95.08617	68.9
97.06536	7.8
97.10164	48.3
105.07024	63.0
107.04957	16.2
107.08603	51.6
109.10165	33.6
111.11731	19.1
117.07051	9.3
118.20412	6.8
119.08577	47.7
121.06503	15.2
121.10174	35.1
123.11710	23.1
125.06018	16.7
129.06999	13.3
131.08623	18.2
133.10165	37.8
135.11702	23.9
137.13272	11.5
139.07561	24.8
141.05330	8.2
143.08578	9.9
145.10182	18.6
147.11682	25.2
149.13278	20.1
151.14774	10.5
153.05510	8.2
153.09135	9.3
157.04483	6.7
157.10091	13.0
159.11720	32.5
161.09659	11.9
161.13345	9.6
165.05508	11.3
165.09158	11.9
167.71698	7.8
173.13344	11.1
175.11209	10.6
175.14751	10.8
177.12766	12.0
179.10722	12.5
193.12263	12.7
207.13765	11.2
211.43085	7.8
215.17931	50.9
217.19469	8.4
235.17030	8.0
238.98967	7.7
243.17458	26.2
261.18463	17.3
277.28909	9.6
289.17908	18.4
292.77374	7.1
315.30405	19.0
357.31659	11.8
375.32483	29.6
385.31061	16.2
403.31866	35.0
439.31995	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57927	0.8
53.03945	8.0
55.01884	1.1
55.05507	4.7
57.03434	1.8
57.07066	1.0
61.02935	1.1
67.05496	4.0
68.99788	2.1
69.03424	10.9
69.07062	3.4
69.07762	0.9
69.42596	5.8
69.43008	2.3
71.04993	4.3
73.18142	0.9
74.06060	1.6
79.05505	5.9
81.03421	30.7
81.07072	9.4
83.04974	3.6
85.02914	16.6
85.06533	3.7
87.00830	4.7
91.05496	6.1
93.07063	8.2
95.04956	3.0
95.08611	6.9
97.02898	100.0
97.06534	33.5
98.20748	1.3
99.04464	6.9
99.08093	3.1
103.05473	5.5
105.01910	1.3
105.07033	7.4
107.08597	18.1
109.02889	47.5
109.06528	7.7
109.10152	6.6
111.04460	1.9
111.08089	1.9
119.08623	5.3
121.06517	7.0
121.10143	10.2
123.08096	3.3
123.11752	1.8
127.03925	62.1
128.06204	1.1
129.01840	1.0
129.07008	1.4
131.04936	8.5
131.08582	5.0
131.51949	0.8
133.06479	1.5
133.10141	9.4
135.08067	6.1
135.11678	2.4
137.06024	1.4
137.09618	3.1
139.11192	2.4
143.08553	2.7
145.04999	2.3
145.10147	2.6
147.11670	4.1
148.88701	1.0
149.09654	6.2
149.13234	11.0
151.11201	7.8
153.09065	1.8
161.06030	1.4
161.09663	1.4
161.13324	1.1
163.07556	3.0
163.11159	1.6
163.14838	5.7
165.12671	1.0
167.10780	1.2
171.07965	1.5
173.13303	9.3
174.06897	2.2
175.07442	1.3
177.09181	1.0
187.07747	1.0
188.08313	1.6
189.09117	4.7
191.10687	15.7
191.14313	22.9
199.32430	1.0
201.09116	1.7
203.10655	3.1
205.73305	0.9
209.15390	15.2
209.58803	0.9
213.03961	14.8
215.10692	4.9
227.16490	3.9
233.11707	2.3
236.04102	0.9
245.11702	1.2
255.07607	1.1
257.11652	2.5
281.11685	3.2
287.10471	1.1
309.54977	1.1
395.16992	1.1
407.14294	2.6
439.15698	4.2
439.22403	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.342
Annotation	Mimosaside A
Peak:m/z	Relative Intensity
50.00596	1.5
52.33792	1.6
53.03940	2.8
55.01870	4.7
55.05515	45.6
56.69595	1.5
57.07077	13.5
67.01855	11.0
67.05509	20.0
68.99791	29.4
69.03430	2.0
69.07072	47.9
69.21384	2.7
69.21789	12.9
71.01336	1.8
71.08626	7.3
79.05496	8.6
81.03416	2.8
81.07059	31.9
83.02892	1.5
83.04981	4.2
83.08620	32.1
85.10194	4.1
87.00831	3.4
91.05495	5.6
93.07051	11.4
95.04978	2.2
95.08607	32.7
97.02884	3.5
97.06528	11.2
97.10183	17.1
98.27896	1.6
99.04448	2.5
105.07032	6.5
107.04969	3.0
107.08567	9.8
109.06526	4.9
109.10151	13.5
111.00806	69.3
111.04417	9.9
111.08099	4.3
111.11724	6.4
119.05694	1.5
119.08585	5.2
121.06502	1.7
121.10146	7.1
123.08076	2.3
123.11735	6.7
125.05996	4.9
125.09628	2.5
125.13285	2.4
127.03921	52.6
131.08546	2.1
133.10136	6.3
135.08057	3.2
135.11707	6.0
137.09604	2.9
137.13228	4.0
139.03909	33.4
139.04930	2.6
139.07565	3.6
139.11218	1.9
145.10092	2.7
147.08069	2.2
147.11682	5.2
149.09581	3.5
149.13275	4.1
151.07498	2.5
151.11211	2.4
153.05431	5.0
153.09048	2.1
159.11711	2.4
161.09628	3.3
161.13307	3.7
163.11230	2.2
163.14819	2.5
165.09146	5.4
167.07054	3.5
167.10663	2.0
179.10681	2.1
181.08614	5.1
181.12285	2.0
195.10205	4.3
207.10092	1.6
209.11734	9.2
221.11772	2.2
223.13342	11.6
235.13367	3.5
237.14798	9.6
249.14906	6.3
251.16388	9.9
263.16443	6.6
265.18094	7.2
277.18051	6.7
279.19568	5.8
291.19550	5.1
293.21136	4.2
295.29935	2.1
305.21219	4.4
307.22714	4.6
319.22684	5.9
321.24326	4.9
333.24203	3.7
347.25879	3.4
354.25076	1.4
361.30902	3.7
385.31149	2.5
403.32117	39.1
404.32352	1.6
421.33127	100.0
422.33603	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	439.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03753	0.8
53.03952	10.9
54.21970	0.7
55.01871	2.0
55.05515	12.3
57.03432	4.3
57.07079	1.5
61.02930	1.4
67.05509	7.0
68.99792	3.8
69.03088	1.3
69.03432	17.3
69.07067	2.1
70.06580	2.6
70.14433	3.5
71.05003	7.9
72.04505	0.9
73.02905	2.1
74.06095	0.9
79.05492	5.0
81.03423	50.2
81.07056	20.3
83.04984	12.8
83.08636	1.3
85.02911	31.9
85.06564	2.0
86.06066	1.9
87.00816	1.9
91.05479	4.7
93.07053	9.4
95.04975	4.7
95.08618	6.1
96.08138	1.2
97.02896	48.9
97.06524	12.1
98.98452	1.3
99.04459	19.1
99.08109	1.2
105.07029	9.8
107.04955	1.2
107.08597	16.5
109.02884	49.1
109.06520	9.3
109.10160	8.2
111.08077	1.4
113.05992	0.9
114.09169	2.9
116.07098	2.5
117.07076	1.4
117.07891	1.2
119.08588	3.9
121.06517	3.3
121.10166	10.6
123.04375	1.2
123.08067	3.4
123.11703	6.5
124.07630	1.1
127.03922	100.0
128.06183	0.9
131.08577	6.9
133.10110	6.4
135.08034	3.2
135.11685	1.8
136.06212	1.6
137.09604	2.7
139.11130	1.1
143.08566	1.5
145.04950	4.8
145.10118	2.1
147.07974	1.3
147.11688	2.8
149.05933	1.9
149.09653	4.4
149.13261	11.5
151.07506	0.9
151.11206	13.4
153.09085	1.4
159.08112	0.9
161.13205	2.0
163.14851	4.4
163.72859	1.0
167.10690	1.1
173.13260	5.6
179.14310	0.8
191.14307	10.6
197.09506	1.0
209.15375	10.9
213.03952	28.1
213.05997	1.7
215.10681	1.1
227.16455	4.4
233.58392	0.9
240.13550	0.9
261.11237	10.4
267.15967	1.1
270.20578	1.0
279.12238	1.7
310.16403	1.1
317.61130	0.8
322.16559	2.6
340.17499	8.4
439.15112	1.1
440.22836	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	439.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	6.1
55.01866	2.1
55.05519	2.7
57.03426	4.6
61.02919	2.7
65.03964	1.4
67.05515	6.5
68.99781	2.9
69.03431	19.8
69.07069	3.2
69.28436	4.9
69.28870	6.3
70.06557	1.4
71.04996	5.3
73.02901	1.8
74.06071	2.0
79.05499	6.1
80.55621	1.2
81.03424	34.1
81.07067	11.5
83.04990	4.2
85.02442	2.1
85.02918	31.9
85.06538	3.5
86.42647	1.4
87.00833	10.7
91.05482	5.0
93.07043	8.6
95.04954	4.0
95.08616	7.1
95.40301	1.1
97.02903	100.0
97.06536	29.6
99.04475	8.1
99.08060	1.9
103.05486	8.1
105.01876	5.0
105.07045	8.7
105.82242	1.2
107.08603	18.1
109.02145	2.5
109.02888	43.3
109.06508	8.8
109.10136	3.5
109.28041	1.3
111.04465	4.3
111.08107	1.8
119.08585	5.1
121.06508	9.0
121.10147	11.8
123.08069	5.3
123.11749	2.5
124.06816	1.2
127.03927	59.5
128.06181	2.0
131.04921	8.7
131.08562	7.7
133.10139	12.6
135.08063	8.3
136.06157	8.0
137.05977	4.7
137.09599	3.0
139.07619	1.3
142.53624	1.4
143.08583	5.4
145.05013	7.5
145.06035	1.2
145.10143	4.8
147.08070	2.0
147.11717	4.2
149.06017	1.9
149.09645	8.2
149.13278	9.4
151.07559	2.0
151.11188	5.8
157.10182	1.7
158.07275	1.5
159.02924	3.5
159.08018	1.4
161.06082	2.7
161.09561	1.4
161.13170	1.4
162.06715	2.3
163.07536	6.2
163.11183	2.4
163.14795	6.3
167.10672	2.1
169.10042	1.8
171.08127	1.6
172.08820	1.6
173.09660	2.6
173.13223	9.8
174.06744	3.7
175.07539	2.0
176.08311	2.0
177.09123	2.3
187.07579	2.3
189.03931	2.2
189.09135	13.8
191.10692	40.6
191.14287	22.2
201.09100	2.6
203.10683	5.5
209.15419	10.7
213.03941	15.2
215.10719	13.9
227.10712	3.1
227.16432	3.2
231.05005	3.3
233.11745	5.9
245.11969	1.5
253.12329	2.0
257.11722	4.9
281.11700	5.8
299.12793	3.8
395.16733	2.2
421.14777	2.0
439.15576	8.7
439.21689	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	439.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.7
55.01873	2.3
55.05524	14.0
56.05033	2.5
57.03428	1.8
65.03896	1.7
65.87738	2.0
67.05502	9.6
69.03436	20.4
69.07075	5.7
70.06615	2.6
70.39777	1.7
71.51077	2.8
74.06088	5.2
79.05505	9.9
81.03426	12.1
81.07053	11.1
83.04991	15.7
83.08626	3.4
85.02919	10.7
87.00836	7.4
90.41764	2.0
91.05493	11.2
93.07047	8.5
95.04980	7.4
95.08605	6.2
97.02912	8.3
97.06530	4.9
99.04414	3.8
105.01918	1.8
105.07029	16.0
107.04958	5.4
107.08604	31.9
109.02893	9.4
109.06525	6.5
109.10142	12.1
111.04431	3.7
115.05463	2.6
117.07047	3.3
119.08614	8.9
121.06522	7.4
121.10159	17.3
122.07281	6.0
123.04445	2.0
123.08069	5.1
124.07612	2.3
127.03921	12.5
127.07585	1.8
128.10747	3.0
129.01831	1.7
131.08600	7.3
133.06477	2.3
133.10141	100.0
135.08064	10.5
135.11711	4.7
136.06253	3.0
137.05956	2.8
137.09625	52.7
143.08551	4.7
143.33287	1.6
145.04936	2.2
145.10150	4.8
147.08025	2.4
147.11713	5.4
149.06010	2.2
149.09634	13.4
149.13263	12.6
151.07597	2.5
151.11214	7.8
157.10146	4.5
158.10965	2.2
159.11728	4.8
161.09628	4.3
163.07497	4.3
163.14815	2.5
171.11644	2.7
173.13292	9.4
175.07625	3.2
176.50067	1.9
177.12735	2.3
182.15370	2.0
191.14325	65.0
193.08528	2.2
200.84999	1.9
209.15331	3.0
215.14265	1.9
231.05037	2.5
244.79683	1.9
262.88403	1.8
291.07526	1.7
317.17456	2.5
335.18524	4.1
340.17633	2.5
353.19516	4.1
377.19977	2.0
395.16748	4.2
398.49075	2.1
403.17300	4.7
421.18884	2.5
439.08289	3.6
439.15561	9.1
439.20062	6.5
439.32712	2.9
440.22800	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	439.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01862	3.1
55.05499	3.4
57.03428	1.5
57.98800	0.8
58.99592	13.8
61.01138	1.9
65.03936	0.9
67.05512	6.1
68.72552	0.7
69.03427	1.9
69.07060	2.8
71.04995	1.0
71.93126	0.8
73.02926	6.8
79.05492	7.1
81.03413	1.3
81.07063	11.3
81.16624	0.7
83.04980	1.6
85.01115	1.6
85.02903	1.4
86.99056	12.3
87.00847	1.4
89.00623	1.5
91.05488	12.5
93.07055	7.6
95.04948	2.1
95.08609	5.6
97.06510	1.3
103.05460	1.3
105.00066	0.7
105.07035	22.2
107.04954	1.6
107.08598	6.4
109.06504	1.5
109.10137	2.9
111.04466	0.7
115.05441	3.7
116.06250	0.9
117.00095	12.1
117.07024	19.4
119.08582	10.7
121.06505	1.6
121.10141	2.4
123.08089	1.2
125.06007	0.8
127.11181	1.6
128.06227	12.4
129.01863	1.6
129.07013	17.1
130.07765	3.3
131.08585	22.0
133.01312	1.6
133.06497	1.8
133.10150	5.3
137.04227	1.0
137.05974	1.6
141.07001	4.4
142.07794	13.1
143.08575	50.1
144.09372	7.2
145.06494	1.9
145.10115	11.5
147.02643	5.5
147.08051	3.0
147.11682	2.3
149.04190	1.0
151.07512	2.8
153.06947	1.3
155.08548	8.0
156.09372	9.4
157.06447	2.2
157.10146	32.2
159.08032	2.4
159.11705	100.0
160.12115	1.3
161.04205	9.1
161.05960	1.5
161.09592	2.0
161.13242	2.4
165.07016	1.2
167.08514	0.9
168.09334	3.1
169.10133	5.5
170.10905	5.1
171.08046	7.9
171.11694	17.1
173.13200	1.0
175.02405	4.2
175.05759	9.7
175.07530	3.8
175.11148	1.1
177.09146	0.8
180.09326	1.3
183.11743	9.9
184.12494	2.4
185.13269	83.5
186.13792	2.3
187.11235	1.5
187.14818	4.5
189.07539	1.1
189.09111	4.5
189.12715	2.5
191.08853	1.3
193.12239	1.0
195.11687	4.5
197.09573	0.8
198.10315	1.0
199.11226	1.4
201.12723	5.2
203.10580	1.4
203.14371	1.0
211.11137	1.0
213.12741	20.1
217.10507	22.9
219.13797	1.8
231.13818	59.6
235.11307	1.0
245.09987	6.4
263.11038	21.5
297.14761	1.2
393.13855	4.2
393.24423	1.3
421.13754	0.9
421.23944	2.3
439.13992	3.0
439.25165	1.9
462.17456	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1579
Annotation	BRUCEOLIDE
Peak:m/z	Relative Intensity
50.85634	0.6
50.99661	0.5
60.60141	0.5
69.03421	0.6
70.06601	0.8
71.50501	0.7
74.56625	0.5
81.03413	1.6
82.15439	0.6
83.01069	0.7
84.04494	0.6
84.08135	0.8
85.02876	0.7
95.01083	2.3
96.01855	1.1
98.98459	1.2
103.05453	2.6
112.01319	0.9
113.02134	1.7
129.10266	0.7
131.04956	4.8
137.06021	0.8
138.48035	0.6
154.47691	0.5
157.04707	0.8
163.07462	0.7
172.08710	1.3
185.04228	3.5
198.06645	0.7
199.92369	0.5
201.03691	1.5
202.06001	3.4
203.05179	0.7
206.04012	0.7
216.07651	1.0
224.05339	0.8
243.08730	1.7
250.06871	0.7
259.08060	0.7
277.11737	2.6
277.15213	0.7
290.98651	0.6
332.07327	1.1
341.12683	1.2
347.09457	0.8
353.28012	0.6
380.85043	0.5
384.93683	0.6
396.09512	1.5
421.09381	1.3
439.10382	6.9
439.15768	100.0
440.16162	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63170	1.0
53.03949	2.0
55.01862	2.3
55.05507	1.2
57.03425	1.5
69.03432	6.0
69.07054	4.4
70.32748	2.6
70.33148	1.9
71.08635	46.5
73.02930	1.0
78.58078	0.9
80.56387	1.0
81.03427	6.1
85.02911	15.7
87.00826	7.0
97.02916	7.9
98.51079	1.0
99.04427	2.7
99.08096	100.0
105.01868	7.8
109.02900	5.3
127.03944	9.5
129.12767	10.5
132.04996	1.0
145.04915	4.4
153.23741	0.9
154.62062	0.9
155.14265	2.7
159.02899	3.4
173.15384	56.3
231.05005	2.8
312.55347	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
53.27491	0.5
62.09776	0.5
69.03428	1.0
69.41091	4.5
70.06602	0.6
71.04970	0.6
77.03943	0.9
79.05479	0.9
81.03413	1.6
81.07072	0.6
85.02869	1.5
91.05481	2.0
95.04967	1.7
97.02891	1.0
97.11375	0.6
102.04656	0.7
103.05473	62.1
104.05784	0.9
105.04543	0.7
105.07027	4.5
107.04939	0.7
107.08570	0.7
109.02892	1.2
113.49384	0.5
115.05447	2.0
118.04182	0.6
119.04926	1.5
121.30582	0.6
127.03936	1.1
127.11214	0.6
131.04936	100.0
132.05244	1.3
133.06520	3.6
135.08086	0.8
137.05983	2.4
147.04431	1.1
149.09610	0.7
161.05980	8.3
163.07570	20.1
173.13274	0.8
175.07489	0.6
191.10681	2.2
191.14316	3.4
199.07524	4.2
217.08530	0.6
231.08131	0.7
291.10297	1.3
304.79880	0.5
456.79303	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1369
Annotation	Kotanin
Peak:m/z	Relative Intensity
55.05511	6.6
66.89639	5.1
66.95868	4.9
67.05479	5.1
69.03431	6.8
69.58038	22.8
69.58443	9.5
81.07071	14.1
85.02900	5.5
91.05499	5.8
93.07044	15.0
95.08621	10.8
98.20813	10.1
98.97605	19.8
99.08165	6.8
105.07048	10.0
107.08598	12.1
109.10186	6.9
112.99169	6.9
118.28597	4.8
119.08609	13.9
121.10162	8.5
128.06200	5.8
131.08575	5.2
133.10098	13.7
135.11688	8.6
144.96231	5.8
154.36198	5.4
158.99629	8.3
191.14403	9.4
191.17990	6.2
209.15193	5.2
209.88731	5.6
237.02834	5.3
305.02695	20.2
371.13657	10.9
439.13669	100.0
439.19470	6.2
439.22986	24.6
440.13522	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	438.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05054	3.2
69.34522	5.5
69.34921	17.8
70.06576	3.5
71.05894	2.2
77.83974	2.0
80.25072	2.6
84.08123	2.6
86.99026	2.7
88.19775	2.4
98.20675	4.6
112.40054	2.3
114.05520	7.6
124.07597	2.4
128.10788	2.6
151.27751	2.3
189.03197	2.8
190.12212	2.9
215.04810	3.2
250.03966	2.6
319.16483	7.2
402.20508	2.6
420.21399	10.6
422.71021	2.9
438.11615	100.0
439.97836	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	438.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.01867	2.7
61.02903	1.8
67.08818	1.3
69.03418	4.6
69.07055	4.6
69.86103	1.3
70.46648	3.5
70.46999	2.3
70.51603	1.5
71.08247	3.2
71.08637	52.4
81.03413	6.4
81.71207	1.8
85.02908	18.4
87.00834	9.2
88.64487	1.6
97.02894	8.3
99.04445	2.9
99.08099	100.0
105.01856	5.4
109.02873	6.9
117.01843	1.9
127.03942	9.1
129.12773	13.0
145.04944	3.4
155.14314	3.1
159.02870	3.2
173.15376	56.7
268.88095	1.6
351.54825	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60581	1.9
55.05519	13.5
57.07074	3.5
60.43795	1.9
62.28928	2.0
65.03950	2.1
67.05515	18.3
69.03432	2.5
69.07076	20.7
69.38513	9.4
69.38931	6.0
76.85219	1.8
79.05508	13.2
81.07066	40.2
83.04978	3.6
83.08648	9.6
85.02911	3.2
87.00835	2.3
91.05473	18.6
91.13466	2.2
93.07048	25.3
95.08615	69.2
97.06536	4.1
97.10186	7.5
105.07043	40.6
107.08611	44.5
109.10167	33.5
112.45762	2.2
112.57005	2.3
117.07021	8.5
119.08594	100.0
120.08906	2.4
121.10139	30.7
123.11729	16.4
127.03985	2.7
129.07025	3.4
131.08591	20.7
133.10133	39.6
135.11725	19.3
137.13278	15.6
143.08583	7.4
145.10132	40.0
146.10814	2.3
146.15887	2.2
147.11702	31.6
149.09673	3.2
149.13245	16.3
151.03896	2.4
151.07617	4.0
155.08578	4.5
157.10121	11.6
159.11700	25.2
161.13242	22.4
163.07559	6.5
163.14812	11.6
169.10207	2.6
171.11703	7.8
173.13278	16.2
175.07513	2.6
175.14812	22.8
177.16440	7.3
183.11699	7.9
185.13251	7.5
187.14824	22.6
189.16394	35.8
191.17972	25.3
197.13228	3.4
199.14851	9.0
201.16391	53.3
203.17972	40.9
205.19547	4.2
209.13382	2.8
211.14856	3.4
212.15695	2.5
213.12733	3.2
213.16422	7.6
215.18005	14.5
217.19569	10.1
219.17490	6.1
221.15533	3.0
225.16432	4.6
227.17879	3.5
229.15935	4.1
229.19669	5.4
231.13797	7.4
233.15271	9.5
241.19534	3.0
243.21106	13.0
247.16975	22.7
253.19563	7.4
255.21100	9.9
261.18460	3.9
285.18619	4.1
287.20135	3.2
299.20111	5.6
384.94275	2.4
391.33661	17.3
419.33112	2.1
437.21808	3.9
437.27863	4.4
437.34152	74.5
438.34622	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	437.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.4
55.05512	16.2
57.03418	1.9
57.07073	5.0
58.56086	1.9
59.31208	1.7
62.19487	1.6
63.05951	1.4
65.03944	2.9
67.05510	22.2
67.23738	1.6
69.03424	5.3
69.07073	20.5
69.40034	13.4
69.40358	1.6
74.71291	1.6
79.05495	15.4
81.03401	3.3
81.07059	44.9
83.04980	5.9
83.08626	10.2
84.04511	2.4
85.02928	5.5
87.00813	1.8
91.05492	22.2
93.07045	36.1
94.07414	2.0
95.04958	5.2
95.08613	77.8
97.02914	4.6
97.06532	6.4
97.10169	5.2
98.20790	4.4
98.40044	2.0
99.08139	2.0
105.07032	41.3
107.08601	40.3
109.06517	3.8
109.10165	31.2
116.06303	2.1
117.07028	6.2
119.08588	100.0
121.06485	2.9
121.10149	31.8
123.11700	14.3
128.06235	3.9
129.07018	7.2
130.04973	2.8
130.07806	2.1
131.08575	20.3
133.06494	3.3
133.09148	2.0
133.10144	39.3
135.11690	24.5
136.12064	3.7
137.06003	2.5
137.09680	3.0
137.13249	12.3
142.07762	2.2
143.08546	7.3
145.10135	38.4
146.10675	2.2
147.08022	2.1
147.11691	29.3
149.13271	14.5
151.03937	8.9
151.07639	2.4
153.05475	5.6
153.08971	1.8
155.08553	4.0
155.14284	2.6
157.10136	12.9
159.08090	3.0
159.11719	24.4
161.09605	2.4
161.13277	26.2
163.07585	4.5
163.14838	8.1
169.10172	4.7
170.10960	1.9
171.11728	10.1
173.13295	16.3
175.07706	2.2
175.11205	2.0
175.14853	18.3
177.09039	3.2
177.16406	8.6
179.07161	2.5
181.10094	2.4
183.11700	6.0
185.13312	8.3
187.11145	2.3
187.14830	24.6
189.09114	3.6
189.16393	32.1
191.10739	2.7
191.17958	24.8
192.34756	1.8
197.13203	4.6
199.14865	7.9
201.12677	2.5
201.16388	48.2
203.17979	35.4
205.05042	2.4
205.15771	2.2
205.19499	3.1
207.13795	2.4
211.14874	3.4
213.12691	2.8
213.16362	11.6
215.14526	2.1
215.18018	15.5
217.19574	7.0
219.13939	2.2
219.17383	3.3
219.21133	2.7
221.15309	2.1
225.16440	2.8
227.17958	5.1
229.12329	3.7
229.15947	2.8
229.19565	6.0
231.13748	9.2
233.15392	6.8
239.17955	5.6
241.19576	5.5
243.21068	11.7
245.15369	3.4
247.16943	22.0
253.19571	5.1
255.21126	7.9
257.18936	2.5
259.17038	2.2
267.21051	2.0
273.18500	4.1
285.18604	4.0
287.20038	3.8
299.20169	4.4
301.21759	4.1
302.01758	2.1
313.21719	2.5
333.05984	3.5
391.10446	3.1
391.33469	16.3
419.20627	2.4
419.26257	4.6
419.33044	3.7
437.21973	11.3
437.27292	9.8
437.34183	67.3
438.34464	3.8
461.72906	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	437.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95441	1.8
55.05507	5.3
62.73167	1.9
67.05490	1.9
69.03410	2.2
69.07069	2.3
71.51347	3.2
72.13901	1.9
79.05508	3.5
81.03394	2.3
81.07055	2.1
83.04964	3.4
85.02924	2.2
85.28757	2.0
91.05470	5.1
93.07020	3.6
95.04964	2.2
95.08586	4.4
97.70518	1.8
103.34148	2.0
105.07030	5.6
127.00048	4.1
141.07062	2.4
142.07727	2.7
157.10088	3.3
167.03198	8.5
169.10066	2.4
171.11716	2.7
175.07602	3.8
185.04239	5.2
189.08865	11.8
199.07520	2.2
205.03120	2.6
213.09259	2.3
219.04840	3.1
227.05280	21.3
228.11469	3.0
229.12358	4.5
246.07091	2.5
256.42453	1.8
261.09387	11.6
271.04239	86.9
340.38467	2.3
351.13742	4.0
365.59937	2.3
371.95428	2.3
393.15240	20.4
437.14178	100.0
438.14499	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.9053
Annotation	Unknow
Peak:m/z	Relative Intensity
71.49583	1.0
87.51537	0.6
94.93027	61.3
96.92831	1.2
97.93336	0.6
97.98878	0.6
98.78641	0.6
104.12991	0.6
112.89622	6.9
114.89346	6.0
126.90046	0.7
126.99815	0.8
136.94054	1.4
150.91971	3.0
156.04170	0.9
164.93550	0.9
176.93391	0.7
202.89169	0.8
204.90707	0.8
206.88618	12.7
226.97206	2.6
230.88614	3.3
248.89691	100.0
249.90045	1.3
262.89606	1.5
286.99084	0.8
288.85080	0.7
298.40356	0.7
304.86258	1.7
360.89111	1.3
375.02481	2.0
436.90140	1.5
437.02774	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	436.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.6
59.46444	1.2
63.96104	1.4
65.03534	1.3
69.03428	2.6
69.65468	3.4
69.65881	6.4
74.99715	1.5
75.04478	2.1
81.07054	1.3
82.32275	1.5
85.02917	7.2
98.70307	1.5
102.66864	1.4
103.05485	1.7
105.07035	21.9
107.04987	2.3
109.06553	1.4
133.06506	54.0
137.05991	100.0
140.34987	1.4
144.37529	1.4
163.07582	3.7
165.09117	32.7
175.07558	4.4
181.08644	3.5
183.10175	27.7
185.34863	1.5
221.11726	2.8
239.12811	3.8
257.13864	49.4
257.16510	3.2
436.23666	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.2
55.01868	7.3
55.05500	6.7
57.03426	6.8
61.02905	6.6
67.05489	7.1
69.03433	33.7
69.07053	4.5
71.04999	6.8
71.23584	7.3
73.02901	5.6
79.05497	4.7
81.03421	27.0
81.07053	5.5
83.04995	3.4
85.02905	100.0
87.00841	55.1
93.07037	17.9
95.08612	10.3
97.02895	38.0
99.04463	18.4
105.01872	88.4
107.08614	11.7
109.02871	36.3
109.09475	5.8
109.10165	81.1
127.03925	75.3
135.11696	32.3
145.04965	38.1
153.12759	78.3
159.02885	13.1
167.78134	3.0
173.04463	4.5
183.36549	3.7
213.03969	12.0
231.04985	37.6
240.85178	3.2
249.06116	16.4
277.05545	5.0
383.17056	7.5
436.20270	61.9
437.21344	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	436.2696
Annotation	Anthriscifolcine B
Peak:m/z	Relative Intensity
55.05520	2.5
56.05044	4.4
57.05340	0.5
58.11032	0.5
67.05508	1.5
68.05019	0.6
69.03445	2.8
69.07066	1.4
70.06599	6.8
71.50264	0.9
72.25935	0.6
74.06097	2.7
79.05483	2.2
81.03391	1.1
81.07064	2.4
83.04984	1.2
83.08630	0.6
84.04520	0.6
85.02895	2.3
86.06072	1.8
87.00830	1.4
87.04481	2.7
91.05479	2.3
93.07059	3.9
95.04979	0.9
95.08609	2.6
97.02856	0.7
97.06571	0.7
98.06064	26.3
100.11260	1.8
102.04954	0.6
102.05560	6.0
105.01843	1.0
105.07046	3.4
107.08611	4.3
109.02873	0.9
109.10139	1.9
111.04481	0.9
116.07098	1.4
117.06994	1.2
119.08601	3.7
121.10137	3.0
123.11689	0.5
127.03929	2.0
129.06973	0.7
131.08554	2.2
133.06503	0.6
133.10144	3.6
134.09662	0.6
135.08025	0.7
135.11703	2.5
137.05962	0.7
137.09593	0.5
143.08566	0.9
145.04993	1.2
145.10141	1.5
147.11679	1.5
149.13254	0.8
153.12793	1.0
155.08531	0.9
157.10139	1.4
159.11745	1.8
161.13272	1.1
171.11742	0.8
173.13274	0.5
182.15462	1.4
185.13252	0.8
210.14894	1.6
217.12247	0.6
229.19528	0.7
239.18036	0.7
241.19574	1.8
252.12360	4.6
275.72794	0.6
332.22211	0.8
336.18240	0.7
350.23346	0.7
388.24811	0.7
390.26477	1.6
406.25854	6.1
409.30194	0.5
418.25989	0.9
436.27008	100.0
437.27267	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	436.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.3
55.01867	11.3
56.05032	6.5
56.71090	4.8
67.05507	9.0
69.03438	33.7
69.07072	9.8
69.55624	35.1
70.06591	7.7
71.04983	7.2
73.02931	8.8
79.05492	13.8
81.03427	25.5
81.07036	9.4
83.04987	12.3
85.02909	100.0
87.00842	41.0
89.57655	4.9
91.05473	14.4
93.07049	16.3
94.60894	5.8
95.08605	14.0
97.02910	54.5
97.06522	6.8
98.06042	15.0
99.04461	16.9
103.05463	6.7
105.01865	77.7
105.07039	12.9
107.08607	19.0
109.02882	32.7
109.10154	11.2
111.04493	7.6
119.08611	12.3
121.10149	7.5
127.03938	89.3
133.10147	7.8
135.11699	20.3
137.06000	7.9
143.08522	6.5
145.04977	53.3
153.05380	6.1
159.02908	18.6
161.06007	12.5
167.07057	6.0
186.84256	5.1
187.21420	5.2
191.08492	6.2
213.04077	6.2
215.07045	8.6
219.08072	10.7
231.05042	25.6
235.07742	5.9
236.08321	5.4
247.07660	9.3
249.05994	12.7
264.07870	6.1
289.08569	9.7
289.92850	5.2
307.09653	50.7
339.12271	12.0
383.16913	30.6
436.22229	6.9
436.27347	56.2
436.32715	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	436.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60675	3.5
53.03945	12.6
55.01887	6.9
55.05502	9.8
57.03440	3.5
61.02908	5.6
65.88625	2.8
67.05509	6.4
69.03436	20.6
69.07066	10.1
70.64000	4.6
70.64336	6.4
71.04978	3.7
72.68700	2.9
73.02918	4.8
79.05495	22.7
81.03418	21.8
81.07055	9.5
83.04988	4.1
85.02429	5.6
85.02913	65.4
87.00829	30.6
91.05500	21.1
93.07057	76.0
95.04945	3.4
95.08608	10.7
97.02905	31.6
97.06525	13.6
99.04438	9.7
103.78999	2.8
105.01868	48.2
105.07025	12.1
107.08602	100.0
109.02895	24.5
109.10135	14.7
112.39526	3.0
117.01871	3.5
119.06071	3.0
127.03933	52.0
132.12794	3.3
135.11705	92.3
145.04979	29.2
145.10176	3.0
153.12711	7.4
159.02927	16.7
231.05048	9.1
322.12479	3.2
369.93262	3.3
414.48779	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	4.4
57.03438	8.3
61.02915	3.7
62.06094	20.5
69.03414	9.5
69.46363	25.4
70.06570	3.7
70.96539	2.7
71.02039	2.9
72.08176	3.4
75.04495	3.7
79.05449	3.2
81.03421	6.9
85.02912	37.6
87.00827	16.0
93.07036	10.0
95.08617	5.6
97.02880	10.6
99.04463	4.4
103.05463	5.9
105.01882	25.4
105.07041	24.9
107.08585	12.9
109.02885	5.9
112.80812	3.6
127.03939	17.2
131.04944	14.9
133.06508	51.5
135.11694	15.3
137.05991	100.0
145.04950	11.4
153.12762	6.9
159.02945	3.9
163.07510	14.0
165.09151	32.5
175.07484	4.5
181.08742	3.8
183.10191	23.0
213.19740	3.2
221.11664	4.3
231.04951	10.4
249.05980	3.3
257.13867	49.4
328.03217	3.2
436.15326	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	436.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.9
57.03426	1.0
59.04992	1.1
65.43272	0.9
67.05508	1.4
69.03418	2.5
69.07067	2.2
69.31438	8.6
71.04999	14.5
73.06551	4.4
79.05487	3.9
81.03401	1.6
81.07061	18.3
81.10799	1.0
83.04917	1.0
85.02898	6.1
87.00835	1.8
91.05498	2.5
91.06046	1.0
91.55629	1.0
93.07057	11.8
95.08602	4.2
97.02892	3.8
97.06544	2.2
99.04466	1.7
105.01874	4.1
105.07024	1.4
107.08596	11.7
107.27759	1.1
109.10165	2.5
119.08510	1.3
127.03919	3.1
127.30998	1.1
135.11690	18.2
137.09602	1.9
145.04980	1.8
153.12753	100.0
154.13097	1.3
165.09116	1.2
187.24030	0.9
229.94534	1.0
231.04985	1.3
251.12747	0.9
254.57454	1.2
350.19592	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.01865	3.9
55.05238	2.1
55.05511	33.8
56.05844	7.0
57.07073	3.5
59.04993	2.4
61.02910	3.1
64.46600	2.0
67.05496	5.0
69.03442	12.7
70.06591	5.0
70.74728	5.2
71.04980	2.3
73.02908	4.3
73.37344	2.0
79.05478	2.3
81.03423	12.9
81.07030	4.2
82.06574	12.8
83.04981	5.1
83.06902	2.1
83.08621	25.7
84.08147	2.6
84.08948	5.8
85.02502	1.7
85.02906	46.0
87.00835	21.4
91.05481	6.0
93.07043	30.0
95.04977	2.1
95.08617	19.6
96.08106	2.2
97.02892	23.1
99.04482	4.9
100.07621	8.5
100.11263	70.2
101.11594	19.7
105.01875	34.4
105.07053	3.3
107.08602	30.5
109.02885	14.0
109.10168	15.2
110.06069	7.3
111.04427	11.6
112.04734	2.9
112.07613	2.7
119.08623	2.9
126.09182	3.0
127.03913	35.0
127.08661	4.7
128.07083	6.7
135.11702	58.5
137.06059	2.4
139.08693	9.8
140.07039	3.1
145.04976	18.9
153.12766	29.7
159.02879	7.0
169.12337	2.2
182.15416	34.7
183.15750	31.6
209.16498	32.8
210.14919	29.5
210.16872	26.3
211.15242	29.2
226.19101	16.8
227.19514	18.6
228.15881	4.3
229.16377	2.9
231.04948	13.5
249.06142	4.2
336.22504	3.8
337.23114	25.5
383.17078	2.6
418.32489	6.6
435.33136	3.7
436.33664	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.5
57.03436	2.2
57.07069	5.5
67.05494	6.6
69.07072	6.5
71.08652	3.6
71.51054	2.1
79.05495	4.9
81.07055	6.1
83.08626	3.1
85.10167	1.5
89.06020	4.5
93.07037	2.8
95.04951	1.9
95.08597	7.4
97.10166	4.1
105.07049	3.3
107.04965	100.0
107.08630	4.0
109.06531	3.3
109.10146	3.6
111.08112	1.7
111.11674	2.3
113.00043	19.7
119.08611	3.1
121.10179	3.0
133.08601	2.2
135.08070	49.6
135.11650	2.4
157.10210	1.8
169.02635	19.5
184.07352	1.8
265.25314	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	435.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.01888	0.6
55.05513	3.1
55.05756	0.3
56.05040	20.9
57.03439	0.4
57.07087	0.9
65.03973	0.3
67.05511	11.6
68.05036	0.7
68.91167	0.3
69.03454	0.6
69.07073	8.9
70.06598	0.9
71.04979	0.8
71.08643	0.3
72.04533	0.9
79.05499	2.0
80.05016	0.6
81.03438	0.4
81.07063	4.3
83.05003	0.4
83.08620	1.6
83.59622	0.3
84.08160	0.7
89.06040	0.3
91.05486	5.5
93.07053	5.6
94.06586	0.6
95.04959	0.9
95.08612	5.4
96.08105	0.3
97.06548	0.6
97.10183	0.7
98.09676	0.4
98.20797	0.7
105.07050	1.4
107.08621	1.9
108.08138	0.8
109.06526	2.0
109.10165	14.0
110.09701	1.0
110.10500	0.4
111.08109	1.6
111.11733	2.1
113.09660	0.4
117.07076	0.9
119.08591	4.6
121.10149	0.9
123.11726	0.4
125.09666	0.4
126.12825	1.0
131.08612	0.4
133.08690	0.3
133.10115	0.4
135.08058	0.3
135.11769	0.3
136.11237	3.3
137.09621	4.6
143.08525	0.4
145.10124	0.8
153.13927	0.4
154.12280	100.0
155.08554	0.4
155.12636	1.8
157.10153	0.8
159.11674	0.4
160.70566	0.3
164.71228	0.3
167.10751	0.4
169.10124	0.7
171.14938	69.1
172.15216	0.9
183.08047	0.3
215.14244	0.3
242.75969	0.3
317.96674	0.3
323.15228	0.4
417.38123	0.7
418.36841	2.5
435.32904	0.7
435.39261	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	434.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12241	9.4
50.70196	8.9
55.01876	14.4
55.05515	21.7
58.06565	11.6
67.05506	32.2
69.03456	20.5
69.07063	28.7
70.33784	8.3
70.67247	21.3
70.67655	19.9
71.04994	28.3
79.05499	26.0
81.03423	9.4
81.07061	70.6
83.05007	9.8
83.08578	13.3
85.02898	46.8
85.36452	8.3
87.00838	14.1
91.05492	28.0
93.07035	50.3
95.04971	28.0
95.08621	59.5
97.02895	18.5
105.07026	77.4
107.08609	80.1
109.02843	10.4
109.06523	15.9
109.10158	40.6
116.41025	9.4
117.07050	10.6
119.08597	47.4
121.10134	45.1
123.08075	9.8
123.11725	38.2
125.09664	60.5
127.03945	21.4
127.11189	11.0
130.07791	11.0
131.08583	27.8
133.10139	53.2
135.11734	25.5
140.09702	8.8
143.10699	9.4
145.04993	10.7
145.10132	100.0
147.11711	24.9
149.13286	27.8
151.11201	58.0
159.11703	46.9
161.13287	26.3
167.14326	82.8
173.13269	15.2
181.04945	10.2
191.17944	18.7
201.16371	77.8
213.38618	9.8
214.71257	8.9
219.17439	91.5
231.05072	12.6
284.86157	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	435.1264
Annotation	3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone
Peak:m/z	Relative Intensity
56.05035	0.8
61.04986	0.6
69.54576	2.0
69.54990	2.4
79.05466	0.9
81.07035	1.0
85.02927	0.6
87.72675	0.7
98.21584	1.1
99.84744	0.7
102.05527	0.7
106.49213	0.7
167.03186	1.2
167.07112	1.3
181.04950	2.2
185.04286	0.7
186.06511	1.2
187.07330	1.3
227.05284	3.2
263.03159	0.6
271.04282	4.3
331.11536	0.7
349.12573	6.0
373.12793	1.1
391.13647	50.2
392.13843	1.5
434.25156	0.8
435.12646	100.0
435.19388	4.5
435.25607	3.4
436.13074	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	435.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.7
55.05522	35.1
55.52219	4.6
67.05522	6.0
69.03419	11.1
69.07052	5.2
70.06577	5.5
71.50105	6.3
75.94287	4.1
81.03411	16.8
81.07060	14.0
82.06570	16.6
83.04968	4.7
83.08614	30.6
84.08138	4.6
85.02907	16.3
87.00813	10.2
89.95650	4.7
91.05495	9.8
93.07025	6.5
95.08614	7.9
97.02869	10.4
99.04477	9.1
100.07581	11.8
100.11272	97.4
105.01878	14.6
105.07047	7.5
107.04955	5.6
107.08588	8.0
109.02879	9.1
109.06499	5.7
109.10221	8.3
110.06033	6.9
111.04443	17.0
112.07638	9.2
123.11701	11.9
127.03925	18.5
127.08713	5.3
128.07076	8.4
132.96239	4.8
133.10143	12.0
135.11713	5.3
139.08646	8.9
145.04933	4.7
147.09222	7.1
151.11134	8.2
153.12720	5.0
161.05923	4.7
172.79628	4.9
181.04968	10.6
182.15421	54.4
187.13310	4.8
191.08206	7.0
192.08464	6.5
193.08572	4.9
209.16515	52.3
210.13107	6.0
210.14929	59.3
226.19145	33.6
228.16055	5.6
233.08205	7.7
256.19366	5.7
273.11401	14.0
317.13348	4.9
336.22913	28.0
417.15686	6.3
435.16449	9.2
435.33307	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	2.1
53.03945	14.7
55.01865	8.6
55.05510	6.0
57.03435	5.9
57.07066	4.1
61.02919	5.0
61.63898	2.1
67.05505	20.9
68.99780	5.2
69.03429	28.2
69.07070	2.8
70.79491	5.0
70.79829	3.3
71.04998	5.7
73.02908	5.4
79.05487	9.2
81.03423	70.1
81.06665	2.5
81.07067	34.8
83.04975	10.5
85.02911	64.4
87.00828	25.0
91.05477	13.0
93.07055	17.6
95.04973	86.8
95.08617	12.0
97.02899	37.8
99.04453	16.0
105.01876	26.6
105.07056	14.6
107.08599	33.1
108.04502	3.3
109.02887	100.0
109.06512	9.2
109.10158	95.7
111.04430	8.8
113.02370	2.4
115.03896	7.0
117.01752	3.3
117.07007	3.1
119.08588	5.6
121.06508	2.7
121.10149	17.7
123.04427	4.3
123.11705	25.9
125.02353	2.9
127.03922	65.9
129.01849	3.3
130.89488	2.2
133.10139	13.6
135.11702	42.2
137.09622	8.7
139.03868	8.5
145.04976	30.3
145.06107	3.4
145.10054	3.1
147.02861	5.9
147.11688	5.9
149.09619	4.2
151.11192	39.6
153.12755	6.4
159.02872	11.9
159.11720	2.3
161.09557	4.4
163.07567	7.5
167.03392	4.3
169.12225	12.2
171.11755	2.3
173.09685	2.7
177.12810	3.3
189.03964	3.8
189.12755	2.5
199.11243	3.0
201.12692	3.4
205.12201	6.7
213.03964	6.6
217.12299	3.3
219.04901	4.1
219.13821	5.2
229.78539	2.3
231.05019	16.8
231.13783	5.1
235.13332	11.3
247.04456	2.6
247.13260	2.5
249.06027	3.4
259.13367	23.5
277.14337	41.8
363.14465	10.5
381.15488	36.6
399.16479	7.8
434.20282	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	434.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.1
55.01859	5.2
55.05505	1.2
57.03433	4.8
59.04984	1.3
61.02914	5.5
67.05498	4.2
68.99781	3.3
69.03434	35.6
69.07079	1.4
69.77751	2.5
69.78167	4.0
70.06534	1.2
71.04998	7.3
73.02905	5.8
78.04084	1.1
78.88654	1.2
79.05479	1.6
81.02995	1.8
81.03424	23.1
81.07064	9.8
85.02909	100.0
87.00313	2.2
87.00833	42.5
87.04471	1.4
91.03951	1.5
91.05459	2.4
93.07038	4.8
95.04943	4.1
95.08583	2.7
97.02895	30.9
97.06549	2.4
99.04458	13.6
105.01871	64.8
105.07031	3.3
107.08594	5.5
109.02883	29.4
109.06503	3.7
109.10158	8.9
111.08101	7.6
112.73675	1.1
117.01869	1.9
119.08549	1.4
123.08094	2.1
123.11710	17.0
127.03922	80.4
129.01823	3.0
133.10101	3.2
141.12779	2.2
145.04971	31.0
145.10127	2.0
147.02905	3.1
151.11209	13.7
159.02884	11.1
169.12241	41.2
189.03952	4.5
213.03914	5.9
231.05011	33.1
249.06084	8.8
277.14337	1.5
342.66751	1.2
363.14447	1.4
381.15515	3.4
399.16318	3.9
408.34744	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06891	1.4
53.03926	1.7
53.71262	1.1
55.05500	1.8
56.96570	1.6
64.81585	1.1
67.05492	3.9
68.76551	1.1
69.03420	4.6
69.07059	1.8
71.04978	4.9
71.50977	1.9
79.05492	4.1
81.03401	3.0
81.06655	1.5
81.07064	16.5
83.04947	1.4
85.02914	7.8
87.00806	1.4
91.05473	6.0
93.06468	2.2
93.07048	26.2
95.04959	10.5
95.08620	3.4
97.02883	6.6
97.06515	4.7
105.01838	2.3
105.07045	6.8
107.08585	3.9
109.02896	2.9
109.06527	5.5
109.10155	5.6
119.08508	1.9
121.10141	2.1
123.08031	2.6
123.11696	5.5
127.03910	3.8
133.10144	8.7
135.04408	1.5
145.04974	1.7
151.11191	100.0
156.87265	1.3
163.03900	5.1
164.04295	1.4
169.12253	1.4
171.11746	1.2
173.02280	1.5
215.07030	1.7
231.05029	2.5
247.13298	1.8
259.09512	3.2
260.10040	1.6
277.14456	1.3
279.68948	1.3
305.06747	1.7
405.12247	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.6
55.01873	1.5
56.05032	1.2
57.03440	1.0
57.07069	1.6
57.64934	1.0
61.02935	2.0
64.39375	1.0
67.05500	2.8
69.03439	5.8
69.07091	1.1
69.22210	1.7
69.22608	9.1
70.06588	2.2
73.02921	1.9
73.64239	0.9
74.27763	0.9
79.05509	3.4
81.03431	6.8
81.07063	3.9
85.02910	17.0
86.09698	2.1
87.00849	8.3
91.05492	12.6
93.07060	8.5
95.04967	4.7
95.08585	1.3
97.02903	7.8
99.04465	4.2
103.05470	3.0
105.01879	10.4
105.07040	51.3
107.08607	6.5
109.02883	6.9
109.06507	2.7
117.07016	2.3
118.07840	2.1
127.03918	14.5
131.04883	2.0
131.08566	3.8
133.10144	100.0
137.06071	1.0
145.04973	6.5
151.11186	2.2
159.02853	5.4
175.11150	1.4
186.77075	1.1
231.05016	2.6
362.15149	1.1
371.43820	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01854	3.9
56.88712	1.5
57.03442	3.3
61.02922	1.8
66.79108	1.3
67.05489	6.8
68.79951	1.4
69.03433	17.9
69.07035	1.9
69.47488	8.3
69.47903	2.4
71.04986	4.0
73.02928	2.2
79.05499	2.5
81.03424	11.7
81.07060	9.0
85.02439	2.7
85.02908	41.3
87.00828	20.0
91.05479	3.6
93.07055	13.1
95.04971	3.1
97.02887	17.6
99.04448	5.6
102.02796	1.5
105.01869	26.5
105.07016	4.4
107.08609	9.2
109.02889	19.2
109.06516	4.5
109.10162	100.0
110.10509	1.5
117.01777	1.7
123.11729	9.9
123.43780	1.4
127.03923	39.0
129.61044	1.6
133.10153	7.3
145.04947	12.4
151.11191	68.3
159.02898	4.6
169.12248	29.8
213.03975	5.2
231.04997	11.9
249.06038	3.8
271.05917	4.3
272.06400	12.3
274.66782	1.6
277.14227	2.3
278.02441	1.8
306.43851	1.8
381.15375	4.8
399.16357	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	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.4
54.13093	2.9
55.01870	6.2
55.05508	6.3
57.03443	4.5
63.42882	3.0
67.05502	15.4
69.03439	28.5
69.72108	9.7
69.72515	6.9
70.06573	2.9
71.04980	6.4
73.02904	5.1
74.47169	2.8
79.05482	10.3
80.05837	3.8
80.07695	2.9
81.03425	18.8
81.07059	44.7
85.02905	71.5
87.00835	35.9
91.05476	16.9
93.07045	74.1
95.04968	32.3
95.08595	13.8
97.02892	25.8
97.06533	6.0
98.21427	5.4
99.04458	9.4
101.71002	3.5
105.01869	41.9
105.07020	14.2
107.08588	31.2
109.02870	23.9
109.06524	21.6
109.10159	84.0
121.10153	5.7
123.08083	2.9
123.11738	44.8
124.12073	3.5
127.03933	56.3
133.10112	28.8
142.23489	3.0
145.04994	21.6
147.11694	4.6
148.12054	7.2
151.11183	100.0
159.02869	12.4
165.12738	4.2
166.13116	7.2
169.12263	56.8
183.57146	3.2
194.12643	5.8
213.03920	5.3
218.12688	4.9
230.14723	4.0
231.05048	22.9
235.13318	3.4
236.13681	6.3
241.09665	3.2
244.07864	5.1
249.06047	6.9
251.16106	3.1
254.14743	4.8
384.07602	2.9
434.12656	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	434.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	9.1
58.88823	1.8
65.39362	1.7
66.10031	1.9
69.03431	4.9
70.06590	1.9
70.34965	6.9
75.04472	4.3
81.03392	3.4
81.06987	1.7
85.02908	12.5
86.79016	1.8
91.05481	9.9
93.07034	3.3
95.04980	1.9
97.02905	3.0
99.04432	2.4
103.03962	2.0
103.05467	31.7
105.07021	2.0
109.02833	3.1
110.03643	4.6
116.29059	2.0
119.04912	10.6
120.05849	1.8
121.06522	3.6
123.04429	12.8
124.05213	3.2
127.03925	2.9
131.04935	100.0
137.05974	17.6
138.06773	14.4
147.04428	2.5
147.07977	1.8
148.05186	13.7
149.05893	2.9
151.07541	5.9
161.06001	4.8
163.07550	68.4
166.06262	23.2
177.05492	2.6
179.07076	3.1
181.08623	27.0
219.10139	3.6
237.11237	13.8
255.12274	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.4
61.02934	1.6
69.03434	7.0
70.28978	4.1
71.04984	3.6
73.02906	3.6
77.25614	0.9
81.03415	3.8
85.02905	2.7
94.06567	1.6
97.02908	1.6
99.04480	5.6
99.94431	0.9
105.03386	1.6
105.48672	1.0
106.06568	0.9
117.05515	3.9
118.06559	4.8
119.03445	1.2
120.04488	16.2
121.59961	1.0
122.06035	5.4
130.06523	1.7
132.04465	52.8
133.04810	1.6
134.06021	5.2
138.05476	5.3
144.08081	1.3
146.06010	6.7
150.05513	19.8
154.06425	1.1
158.05988	2.6
170.06012	1.6
172.07616	9.1
190.08641	1.7
200.07100	5.1
218.08134	20.8
236.09221	4.0
254.10260	9.0
272.11316	100.0
273.11597	1.3
285.95541	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2352
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03944	3.6
55.05513	10.4
57.03429	6.5
57.07069	1.8
62.88923	1.5
63.41993	1.3
65.03942	1.6
67.05508	41.1
69.07078	9.6
69.54028	10.6
71.04974	2.2
75.04477	1.4
79.05082	1.7
79.05505	27.5
81.06590	2.7
81.07059	44.8
83.08610	6.0
91.05486	16.0
93.07050	38.8
93.07632	2.6
95.04953	1.8
95.08064	2.5
95.08618	33.3
97.06525	3.0
97.10165	1.6
98.21510	2.1
98.98474	100.0
99.08115	2.2
99.27925	1.4
102.20978	1.6
105.07052	16.1
107.07887	1.9
107.08604	27.9
109.06521	2.8
109.10162	19.9
116.99491	1.8
117.07020	6.4
119.08588	14.5
121.10155	21.7
123.11735	8.0
129.06996	1.6
131.08580	10.7
133.10106	11.2
135.11710	13.2
136.94089	1.5
137.13243	4.2
145.10133	11.6
147.11665	5.2
149.13280	13.0
155.01050	15.6
155.08591	1.4
157.10172	1.8
159.11687	10.7
161.13292	8.1
163.14856	9.3
171.11678	2.7
173.02090	14.2
173.13261	7.6
175.14786	4.3
177.16420	2.5
187.14796	5.3
191.14388	1.7
199.14738	1.9
201.16403	1.8
207.11674	1.9
207.21709	1.5
233.22610	2.8
234.45767	1.5
234.50058	1.6
243.21082	16.4
245.15475	2.6
261.22147	56.1
262.22388	1.8
317.24771	8.7
335.25815	43.6
415.22473	5.5
433.23999	1.6
433.30722	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	433.2591
Annotation	Leucosesterlactone
Peak:m/z	Relative Intensity
51.01581	1.9
53.03946	2.8
55.05514	5.9
55.75694	1.7
59.91795	2.0
67.05508	16.5
69.07066	6.3
71.04978	2.4
71.50445	2.7
77.35875	1.8
79.05489	13.9
81.07064	26.4
83.04971	2.2
83.08587	3.4
91.05478	16.0
93.07063	25.2
95.04964	3.0
95.08614	31.8
97.06548	4.5
97.10181	2.8
105.07043	27.7
107.08609	28.3
109.06503	4.5
109.10191	19.3
111.04436	2.0
111.08102	1.9
117.07022	7.5
119.08585	28.5
121.06541	3.0
121.10152	23.4
123.11740	2.1
125.09585	1.9
129.06937	2.4
131.08588	18.1
133.10135	19.0
135.08067	3.1
135.11719	15.6
137.05948	4.4
138.34645	1.8
139.11163	1.9
143.08575	10.6
145.10146	20.8
147.08038	6.1
147.11671	19.2
149.13254	11.3
151.07545	2.3
151.94157	1.9
155.07024	2.4
155.08577	3.7
157.10130	13.2
159.08072	4.3
159.11693	17.7
161.09630	6.7
161.13261	7.8
163.14905	3.2
169.10187	5.4
171.11685	7.0
173.09650	4.4
173.13278	8.2
175.07579	3.2
175.11172	5.2
179.10699	2.3
183.11737	4.1
185.09775	2.6
185.13287	7.0
187.11157	6.0
187.14870	5.9
189.09131	4.0
189.12741	5.2
191.10692	2.4
193.12271	2.4
195.11723	4.3
197.13264	10.8
199.11067	2.2
199.14828	8.7
201.12804	3.6
201.16415	14.9
203.10756	4.4
209.13335	3.3
211.14871	3.7
213.12746	3.1
213.16443	4.2
215.10750	2.9
215.14320	7.3
215.17801	2.0
217.04871	2.5
217.12173	2.5
221.11705	4.6
223.14824	3.9
225.16367	1.9
227.14220	2.9
229.12291	3.1
229.15903	2.6
231.13741	3.0
241.15933	2.5
243.13806	4.6
245.15443	5.5
245.51076	2.1
247.17056	3.7
253.19612	2.7
255.21091	3.8
259.09583	2.0
261.14941	7.6
269.15442	3.8
271.17041	1.9
273.14923	3.6
279.15994	4.0
287.16324	6.6
288.33527	1.9
295.17151	2.3
299.16595	3.1
305.22604	3.1
313.24982	2.1
323.23706	5.2
341.21097	2.2
341.24802	2.9
351.23267	20.5
355.76669	2.1
369.24286	100.0
370.24542	4.0
379.22665	8.4
387.20313	3.6
387.25333	69.3
388.25589	2.7
397.23837	22.6
414.59109	2.1
415.24832	26.9
415.30066	2.7
433.14792	2.4
433.25616	11.3
433.31732	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	433.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	13.9
55.01881	12.7
55.05521	30.9
57.03443	5.4
61.02930	6.8
65.03946	4.5
67.05507	45.0
68.99799	17.7
69.03438	40.1
69.07085	34.3
71.04994	8.4
71.51376	8.8
73.02946	7.9
79.05513	55.4
81.03432	35.2
81.07065	62.8
82.07405	5.6
82.35232	4.6
83.04987	33.5
83.08620	10.2
85.02924	31.5
85.06534	4.8
87.00838	17.3
91.05485	92.2
93.07053	87.5
95.04975	33.4
95.08617	74.6
97.02903	21.9
97.06554	24.4
97.10184	7.9
99.04511	6.0
103.05473	11.6
105.01884	6.7
105.07032	100.0
105.07688	7.2
107.04978	10.0
107.08601	77.9
109.02898	11.5
109.06523	20.5
109.10175	45.5
111.04444	11.0
111.08100	15.9
115.03945	11.7
117.07050	28.4
119.07798	9.6
119.08592	99.9
121.06511	17.8
121.10152	45.9
123.04444	8.3
123.08092	17.1
123.11724	10.9
125.09676	23.5
127.03947	11.7
128.06232	16.4
129.01834	5.2
129.05423	4.6
129.06972	26.0
129.54027	4.7
130.07823	8.0
131.04961	6.5
131.08583	47.2
133.06526	11.7
133.10152	52.8
135.04434	5.9
135.08067	22.7
135.11679	21.4
137.06007	12.1
137.09647	13.5
141.07005	10.4
142.07773	12.3
143.08601	38.2
144.09332	7.3
145.06523	15.0
145.10126	61.4
147.08055	14.2
147.11696	68.7
149.09674	8.9
149.13257	8.1
154.07724	5.8
154.37318	5.0
155.08592	19.6
156.09329	14.2
157.06517	5.8
157.10155	55.9
159.08070	21.1
159.11717	50.6
161.09645	13.9
161.13284	16.8
163.07501	7.5
163.11188	7.1
165.07059	5.9
165.12706	7.0
167.01540	4.6
167.08606	10.9
168.09358	7.6
169.10191	26.8
170.10957	6.0
171.08008	10.2
171.11705	34.9
173.09633	16.5
173.13258	20.6
175.07541	6.6
175.11191	14.3
175.14864	8.6
177.09204	5.2
179.08673	6.1
180.09315	5.9
181.10152	19.1
183.11693	32.3
185.09625	13.1
185.13245	26.2
187.11252	12.3
187.14861	12.0
189.12819	6.0
191.10632	11.4
195.10158	5.9
195.11787	21.0
197.09679	6.4
197.13313	18.1
199.11179	10.3
199.14777	14.8
201.12743	14.2
201.16393	27.4
202.16716	5.5
203.10747	6.6
203.14146	6.7
203.17966	14.5
209.13315	15.6
211.11220	6.3
211.14848	7.7
213.12785	11.2
213.16309	24.6
215.18015	13.9
217.15877	6.2
219.17476	5.5
223.11331	7.1
223.14778	9.1
225.09279	5.2
225.12590	10.1
225.16403	15.0
227.14375	13.4
227.17926	16.1
229.15913	10.5
239.17923	6.1
241.15955	15.0
243.17451	22.3
251.14595	5.3
251.17813	6.5
255.17418	9.8
257.19058	15.9
259.09729	7.1
267.17593	7.5
269.15494	5.9
269.18970	15.0
283.20871	6.7
287.20151	11.8
293.19058	16.2
300.06787	5.3
311.20102	71.6
318.40424	5.4
329.21231	49.0
341.21030	16.2
347.22250	10.9
365.17651	5.6
415.20840	26.2
433.18390	7.4
433.22305	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.8
55.01862	13.4
55.05516	28.7
57.03424	13.7
57.07079	9.0
61.02924	6.6
65.03955	4.2
67.05511	35.1
68.99783	13.6
69.03436	69.1
69.07070	32.9
70.64807	11.1
71.04986	28.1
73.02929	7.2
79.05501	42.0
81.03418	38.6
81.07063	50.6
83.04983	18.0
83.08621	14.1
85.02909	50.0
86.21267	5.2
87.00806	22.7
88.32933	5.6
91.05489	43.6
92.71479	4.9
93.06551	5.5
93.07058	49.1
95.04974	34.9
95.08616	45.0
96.81855	4.7
97.02892	24.1
97.06552	37.7
97.10146	8.4
97.43647	4.6
99.04504	4.7
99.08112	7.2
103.05447	4.9
105.01871	6.5
105.07042	85.0
107.04959	18.2
107.08603	48.6
109.02866	13.4
109.06528	11.5
109.10158	49.2
111.04428	18.6
115.03957	6.9
115.05485	5.0
117.07017	22.2
119.04970	8.5
119.08588	78.6
121.06493	21.1
121.10162	33.6
123.04395	8.8
123.08070	9.4
123.11691	17.3
127.03914	10.6
127.11180	16.6
128.06230	11.5
129.01813	6.3
129.07028	23.2
130.07780	9.9
131.08565	53.0
133.06540	11.4
133.10132	48.5
135.04396	4.6
135.08047	12.7
135.11681	15.5
137.05981	6.6
137.09654	8.6
141.07019	13.2
142.07790	30.7
143.08583	54.7
144.09328	8.8
145.06479	14.5
145.10120	63.2
147.02849	5.2
147.08032	16.3
147.11693	31.2
149.09569	12.7
149.13293	12.2
151.07596	7.7
151.11264	5.4
153.06969	6.0
155.08528	29.7
156.09346	17.1
157.06526	5.2
157.10150	83.2
158.10907	6.2
159.02910	9.7
159.07999	15.2
159.11720	70.5
161.02229	5.6
161.05925	5.5
161.09578	23.1
161.13248	13.5
163.03894	11.2
165.07068	9.6
166.07816	6.3
167.07143	6.6
167.08546	13.4
168.09349	11.7
169.10129	29.7
171.08095	14.8
171.11694	49.0
172.12521	6.1
173.02359	8.8
173.09612	13.3
173.13339	24.5
175.07562	5.4
175.11168	17.1
175.14833	6.4
179.08569	10.3
180.09354	5.7
181.10112	17.9
182.10797	12.5
183.11694	26.9
184.08775	8.7
185.09686	24.5
185.13254	22.2
187.07591	5.8
187.11137	16.0
187.14784	11.5
189.09106	16.0
189.12790	5.2
189.16302	8.3
192.09369	8.5
193.10162	11.5
193.12126	4.7
194.10823	7.1
195.11731	19.3
196.12445	6.2
197.13255	20.0
199.11157	13.4
199.14784	18.0
201.12682	13.6
201.16385	34.0
203.10573	8.5
203.17992	8.6
207.11664	20.9
209.13263	15.4
211.14743	6.9
213.12801	17.9
213.16385	31.6
215.07037	14.9
215.14285	11.8
215.17963	16.7
217.15663	5.5
219.17479	5.9
223.11148	8.9
223.14964	13.5
225.12769	34.6
225.16414	25.9
227.10463	4.8
227.14342	11.9
227.17960	14.4
229.15836	8.1
231.13786	7.7
231.17570	8.8
237.12543	5.3
239.14395	6.7
239.18076	6.2
241.15762	8.8
243.13779	13.5
243.17522	24.8
245.18985	6.6
251.14342	7.1
255.13939	7.7
255.17078	5.9
257.18970	14.2
259.09656	30.3
259.16675	5.6
265.19623	10.4
269.18970	10.9
282.26773	6.5
283.20544	14.4
293.18997	24.9
311.20044	76.9
327.15982	5.7
329.21133	55.4
347.14835	12.1
347.22229	13.2
397.20013	7.0
415.21286	32.4
433.15030	25.7
433.22198	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1835
Annotation	Tyr Asn His
Peak:m/z	Relative Intensity
53.81535	0.6
69.44682	4.9
79.11928	0.6
105.07020	0.7
139.46844	0.6
218.52917	0.7
303.12292	1.3
315.12006	0.8
333.13083	9.5
333.16721	0.8
389.01486	0.7
433.18350	100.0
434.18765	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	5.3
67.05486	4.5
68.99789	1.9
69.03407	6.2
69.07047	4.1
70.07742	2.6
70.08138	3.0
76.01706	1.6
77.00114	1.5
77.08085	1.3
79.05492	6.9
81.03403	4.5
81.07057	11.6
83.04951	5.7
85.02892	4.7
87.00828	3.5
90.46563	1.6
91.05477	7.4
93.07054	9.3
95.04936	2.6
95.08617	6.6
97.02865	3.4
97.06505	2.6
98.21452	1.5
105.07027	12.2
107.08586	7.5
109.06499	1.6
109.10150	3.9
113.02247	1.4
115.03913	2.1
117.07075	1.8
119.04926	1.7
119.08594	12.2
121.06544	3.1
121.10135	6.8
123.04327	1.3
123.07977	2.0
123.11726	1.3
127.66552	1.3
129.06985	2.2
131.08574	6.7
133.10165	6.6
135.07962	2.1
135.11601	1.6
137.05963	2.2
142.07791	2.0
143.08534	5.5
145.06609	1.7
145.10130	10.5
147.11681	7.8
149.09506	2.2
155.08463	1.8
157.10138	7.1
159.08029	3.6
159.11681	7.3
161.09581	3.1
161.13327	2.0
169.10088	3.4
171.07970	1.6
171.11679	5.5
173.09608	2.0
173.13245	4.6
183.11613	2.8
185.13200	2.2
187.14772	2.0
195.11746	2.0
197.13351	2.0
199.14708	3.4
201.16376	4.9
211.11116	1.9
213.16345	3.0
215.18008	2.3
223.87482	1.3
225.16098	1.4
227.17976	3.6
229.15816	2.1
243.17445	3.8
257.19092	2.3
269.18829	2.1
293.18958	3.1
311.20068	8.5
329.20959	6.9
403.17383	5.5
415.21072	4.2
433.18167	100.0
434.18280	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	432.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.8
54.86750	2.1
55.01880	3.9
55.05511	6.4
57.03428	2.1
65.03935	2.9
67.05501	8.5
69.03445	11.4
69.07073	9.7
70.31987	2.4
70.52767	5.2
70.53112	4.1
73.02975	2.0
79.05502	16.6
81.03423	9.5
81.07059	29.7
83.04983	2.2
85.02911	29.3
87.00840	10.1
91.05489	26.0
93.07050	88.3
95.04981	5.7
95.08607	6.4
97.02900	8.6
99.04457	4.5
105.01897	16.0
105.04505	2.8
105.07022	11.5
107.08608	100.0
109.02870	8.9
109.06554	2.9
119.08561	4.3
120.05112	1.9
121.10154	39.0
127.03938	22.8
145.04964	9.9
145.10008	2.0
149.13278	52.5
159.02887	8.4
164.68240	2.4
187.11195	2.6
195.86652	2.3
220.17378	2.7
231.05043	3.6
249.11157	2.2
252.50969	2.1
324.26224	2.8
373.15063	2.4
432.16931	3.8
433.18518	15.3
437.81088	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	432.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83838	3.4
53.03949	6.3
55.05497	12.0
57.07069	9.3
58.47427	3.5
69.07069	38.6
71.51170	6.1
79.05499	24.0
81.07056	9.4
83.08591	4.5
87.69507	3.5
91.05489	32.7
93.07040	73.4
95.04984	5.3
95.08619	5.3
105.07044	22.0
107.08597	100.0
109.06493	6.8
109.10234	4.7
112.41191	3.7
119.08607	8.1
121.10149	55.4
127.11359	3.6
137.43279	3.5
140.36034	4.4
149.13263	90.3
169.10161	3.6
173.23665	4.1
236.16431	4.3
264.98688	4.2
327.55435	3.7
432.13712	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	432.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01868	1.2
55.05494	2.0
57.03438	2.6
58.06598	0.8
59.04995	1.2
59.07355	1.1
60.08166	9.9
65.03939	2.2
67.05506	10.1
69.03416	4.2
69.07065	1.5
70.06586	1.1
71.04990	10.8
71.49700	1.0
75.96983	0.8
78.52335	0.9
79.05497	5.6
81.03419	5.2
81.07059	14.3
83.04997	1.0
83.08644	0.8
85.02925	1.9
86.09687	1.7
86.90868	0.9
87.04471	6.0
91.05493	4.8
93.07041	6.5
95.04977	75.6
95.08605	2.3
97.02863	1.0
97.06534	7.0
99.08038	0.8
102.09190	13.4
105.07037	8.9
107.04953	2.0
107.08601	5.0
109.06532	11.5
109.10146	4.8
111.08109	2.4
113.06013	0.9
113.84343	1.0
115.03938	2.5
117.07019	5.6
119.08624	4.5
121.02831	1.1
121.06521	3.3
121.10136	3.8
123.03864	0.9
123.08067	1.0
127.07557	7.6
129.07028	2.0
131.04926	1.8
131.08594	8.7
133.05045	1.3
133.10135	3.3
135.08055	12.6
135.11667	0.8
137.05981	14.6
137.09631	10.0
138.06326	7.8
144.09389	1.7
145.06522	2.5
145.10136	2.5
147.08099	6.1
149.09624	5.2
149.13220	2.0
154.17317	0.9
157.10173	1.2
159.11691	11.6
161.09610	3.0
162.48146	0.8
163.07507	2.0
167.10713	1.0
169.10158	1.8
176.07903	0.8
177.12794	7.1
177.14275	1.3
185.11772	1.6
185.15392	1.2
187.11211	10.4
192.07491	1.1
205.12251	37.8
223.13275	5.1
267.10052	1.1
268.10605	1.0
277.08539	1.0
278.08981	3.6
310.11484	1.3
342.27823	0.9
414.24597	1.0
432.13571	2.8
432.25977	100.0
433.26425	3.7
445.45532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2278
Annotation	Celerioside A
Peak:m/z	Relative Intensity
50.38126	5.0
53.11106	5.6
60.12822	5.8
67.05495	13.1
68.05933	5.5
69.42494	45.6
70.06602	7.2
71.04997	30.4
73.34374	5.1
81.03421	13.2
81.07053	9.0
84.04498	24.9
85.02903	20.8
86.09709	95.4
88.70856	6.0
93.07049	6.7
95.05014	8.0
97.02940	7.8
98.97593	9.6
102.05559	10.6
109.10171	6.3
119.08565	7.9
127.11200	100.0
130.04974	7.6
131.04958	8.7
135.11646	7.0
137.05963	18.8
151.07576	11.6
177.09067	8.1
184.34692	5.4
189.12422	17.5
215.13951	18.6
235.09117	6.6
235.59271	13.0
243.13432	9.9
251.16302	29.0
329.69955	6.7
367.81744	5.3
412.92218	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	432.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	13.8
55.01874	13.0
57.03430	8.1
61.02913	7.5
61.51917	3.4
68.99788	4.8
69.03423	38.1
69.70014	9.6
69.70443	7.2
71.04991	7.1
73.02923	10.1
79.05509	4.3
81.02997	3.7
81.03425	40.4
85.02911	100.0
87.00830	51.0
91.05486	3.9
93.07037	12.4
97.02895	67.7
99.04483	19.7
105.01866	57.9
105.07055	3.9
107.08612	4.8
108.04469	6.6
109.02886	50.0
117.01834	7.2
121.10148	7.4
126.05500	2.6
127.03923	88.0
129.01849	3.7
138.64178	2.8
144.45818	2.9
145.04968	47.1
159.02907	29.4
167.40300	2.7
189.03999	3.3
191.10651	3.3
213.03986	5.4
231.05077	22.0
249.05919	4.2
261.90216	3.1
273.35074	2.6
286.64310	2.8
432.25760	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	432.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.7
55.01875	4.1
55.05500	7.6
57.03418	2.9
57.22803	2.0
60.08316	2.1
61.02921	4.4
65.03922	2.3
65.67683	1.9
67.05518	7.6
69.03421	13.2
69.07075	14.2
69.61716	6.5
69.62141	7.7
73.02911	2.3
79.05499	25.8
81.03421	13.6
81.07059	37.2
85.02913	32.3
87.00835	11.1
88.61034	2.4
91.05489	29.0
93.07047	100.0
94.07388	2.8
95.04976	5.2
95.08592	7.3
97.02883	10.6
99.04461	7.0
105.01897	14.1
105.04516	3.6
105.07051	16.4
107.08599	97.0
108.08980	2.4
109.02854	11.1
109.06512	2.5
109.10202	3.0
119.08556	4.6
121.10143	49.0
127.03921	27.3
145.04987	10.2
149.13269	70.9
159.02873	11.3
159.11700	2.9
195.36139	2.5
213.03925	2.9
231.05113	4.0
372.28729	2.7
420.49673	2.3
432.16650	5.0
432.21573	2.7
433.18335	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	431.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.3
55.05454	1.4
67.05486	1.8
69.03445	1.3
69.07062	4.9
70.06585	1.9
70.61240	1.6
70.61587	2.4
71.04998	5.6
71.05324	1.0
72.08161	2.5
76.29514	1.1
81.03401	3.6
81.07057	1.3
82.60371	1.1
84.04506	13.7
85.02901	3.2
86.09710	100.0
95.04972	1.8
95.08602	1.3
96.04500	1.3
96.90325	1.0
102.05546	8.6
107.08595	1.4
109.10154	1.5
119.08611	1.2
121.10157	1.3
127.03956	1.3
127.11208	25.5
129.06563	1.5
130.04987	4.7
131.04860	1.5
134.37520	1.1
137.06007	9.7
141.06584	2.1
145.10083	1.2
147.07755	2.1
148.06102	1.3
151.03958	1.4
151.07567	2.5
152.07870	1.3
157.13443	1.6
170.11778	1.7
177.09094	1.9
181.08728	1.2
185.12840	1.9
189.12347	18.0
193.12193	1.3
197.12776	5.2
215.13931	20.0
225.12375	2.8
227.17484	1.4
233.15352	2.2
235.09280	1.3
243.13405	15.3
251.16333	5.6
267.15869	1.6
320.49734	1.1
338.20688	1.4
339.65576	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1341
Annotation	7,4'-Di-O-Methylisomollupentin
Peak:m/z	Relative Intensity
65.03943	2.8
65.95939	1.2
68.99797	2.4
69.03436	2.8
69.07045	2.2
70.06583	2.2
71.49909	2.2
79.05482	2.6
81.03417	2.4
81.07051	1.6
85.02910	1.8
86.09713	14.5
91.05497	1.7
95.04945	1.3
95.08582	1.1
97.06510	1.7
103.05447	2.0
106.20807	1.2
107.04948	3.4
111.04438	1.7
115.35270	1.0
117.07016	1.7
119.04948	2.0
119.08500	1.1
121.02882	64.2
123.08051	1.6
131.04961	2.4
132.10306	1.5
135.04437	1.6
137.05951	2.3
139.07603	1.2
145.02876	3.7
147.04414	2.3
147.76901	1.3
149.05994	2.0
161.05978	1.7
163.03918	3.5
163.07504	2.7
165.05519	2.7
165.06905	1.2
175.03777	1.2
177.05524	1.4
179.07066	1.4
187.03848	1.4
187.07185	1.7
189.05486	3.9
191.07085	1.8
195.06519	4.8
207.06467	1.8
227.07118	1.5
239.07028	6.7
241.08537	2.3
252.07803	2.1
253.08784	1.5
254.05768	2.4
255.06558	30.3
256.07083	1.8
257.04626	2.0
265.08691	2.0
267.06512	5.2
267.10187	4.1
268.07336	2.0
269.04541	7.0
269.08127	3.6
270.05307	5.9
271.06052	40.6
272.06503	1.2
279.10330	3.1
281.04529	5.5
281.08032	2.4
281.11661	2.1
282.08868	5.5
283.06039	7.9
283.09711	4.1
284.06757	2.7
285.07559	14.1
291.10175	1.9
293.08347	1.5
295.09549	1.6
297.07602	4.3
297.11203	5.3
298.08411	2.4
299.05563	3.6
299.09192	7.8
307.06079	1.4
307.09607	4.7
309.07513	3.2
309.11267	4.7
311.05829	2.1
311.09125	5.7
313.10699	13.6
321.07727	1.8
323.09033	2.5
325.07361	2.7
325.10818	5.5
326.11487	3.1
327.08737	4.0
335.09210	2.7
337.07010	4.2
337.10751	6.7
339.08621	16.2
339.12378	2.0
344.12631	7.5
353.10193	7.7
354.11008	15.9
355.08167	4.0
355.12021	1.9
363.08508	1.5
367.11713	1.6
371.11322	2.8
372.12088	34.5
381.09674	3.8
395.11310	1.6
413.12360	8.1
431.13403	100.0
432.13885	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	431.1679
Annotation	Diasesartemin
Peak:m/z	Relative Intensity
55.30561	1.0
59.74847	1.0
69.49425	2.2
69.49828	3.7
77.64072	0.9
83.04999	1.0
84.59686	1.1
95.14071	1.0
98.20761	1.8
104.44549	1.0
114.50098	1.0
313.10626	4.1
331.11523	10.9
413.15768	8.8
431.16812	100.0
432.17206	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	430.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
55.05500	2.3
60.04493	0.8
62.06094	1.1
67.05505	6.9
69.03436	1.0
69.07074	5.4
69.30453	6.8
70.06590	2.2
71.05006	1.2
72.08141	3.0
72.27913	0.9
81.03388	1.2
81.07074	4.3
84.04536	0.8
84.08135	1.9
85.02880	1.0
86.06071	20.5
91.05488	8.4
93.07055	6.1
95.08613	14.1
96.08134	6.0
96.44911	0.7
98.06052	3.7
98.09097	0.9
98.09696	9.2
98.20713	1.4
99.04455	1.1
100.36163	0.7
105.07017	2.5
107.08601	1.9
108.08114	3.6
109.10168	2.6
110.09692	1.0
114.09145	1.5
116.07105	1.5
116.10738	57.9
117.07074	0.8
119.08585	9.9
121.10179	0.8
122.09589	1.5
123.08056	1.6
124.07606	3.1
134.09679	1.1
134.63402	0.8
137.09616	5.6
140.10698	1.6
142.08641	7.3
145.10100	1.1
147.08044	2.3
165.09160	1.4
180.39021	0.8
196.16980	1.0
208.17014	1.2
223.94836	0.8
236.86560	0.8
238.18033	1.4
245.13828	1.0
254.21193	6.0
256.19016	3.7
257.82928	0.9
280.19101	6.5
298.20108	6.1
316.21201	100.0
317.21451	2.1
363.67227	0.8
387.67587	1.0
412.26889	1.3
430.18988	0.8
430.27731	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01872	0.6
65.03935	0.6
66.04719	0.7
67.05511	0.8
68.99780	1.3
69.03451	0.7
71.51102	0.6
72.08144	0.7
76.28594	0.5
79.05493	1.9
81.03399	0.5
81.07047	1.6
84.04501	0.6
85.02902	0.6
86.09703	4.5
87.00822	1.6
91.05482	2.6
93.07050	0.7
94.04185	3.4
95.04966	1.9
97.02871	0.8
103.05489	2.6
105.07029	0.9
107.04958	1.5
109.06504	1.7
115.05456	1.9
117.06992	0.7
119.04933	0.5
119.08625	1.0
121.02890	3.0
121.06512	1.9
122.03650	9.3
129.07033	0.6
131.04941	5.8
131.08548	0.7
133.02855	1.1
133.06483	0.7
135.04428	1.0
135.08044	0.9
137.05986	100.0
138.06329	1.1
143.04945	2.0
145.06509	0.8
147.04456	1.0
147.08052	0.7
149.06018	2.3
151.07506	0.7
153.05515	0.5
159.04422	1.0
160.05234	1.1
161.06009	4.6
161.09608	0.5
163.07553	2.2
165.05585	0.7
165.07019	1.0
175.07536	6.1
177.05530	4.5
177.06966	0.7
178.07816	1.1
179.07120	0.5
179.08578	2.1
181.06505	0.5
183.06657	1.0
183.08061	0.5
187.07382	0.6
188.04648	0.7
189.05479	0.7
189.07034	1.4
190.06306	1.2
191.07034	4.4
193.06612	0.5
194.07191	1.1
195.08133	0.8
203.07025	5.8
205.06438	1.0
205.12030	0.5
206.07289	1.7
207.08093	4.0
210.06766	0.9
211.07472	0.7
217.06660	1.4
218.07295	0.8
221.06128	1.0
221.08095	1.5
222.06708	0.6
223.07674	1.1
224.08324	1.4
225.09163	0.9
227.07178	0.7
233.05963	0.9
234.06839	4.3
235.07582	3.5
237.09093	1.0
238.06253	0.9
239.07027	1.3
239.10727	1.3
243.06792	0.7
245.06050	0.6
245.08240	0.6
245.52272	0.5
249.09140	5.0
250.06223	0.7
251.07071	2.3
252.07759	1.0
253.08627	2.8
255.06543	1.3
262.06216	1.4
263.07059	1.8
265.08569	2.0
267.10178	6.2
269.08240	1.2
269.11130	0.6
270.08804	0.6
271.06003	1.4
277.08633	12.0
278.09213	1.1
279.06613	1.4
281.04514	1.0
282.08972	0.9
284.10556	0.7
285.08188	0.6
285.11276	2.1
293.08102	0.6
294.08881	2.6
295.09665	3.9
297.07986	0.5
297.11288	1.9
299.09583	0.5
299.12927	1.6
309.11172	7.8
313.10529	0.7
325.10751	0.7
327.12308	2.6
339.08578	0.7
344.12393	0.6
345.07596	0.5
345.13217	2.5
351.12421	0.6
353.10709	0.5
367.11844	0.7
369.13351	0.6
371.11374	1.7
372.12241	2.7
395.11218	1.0
406.94797	0.6
413.12396	1.6
431.07724	0.9
431.13330	7.6
431.18488	0.4
432.26233	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23203	0.6
55.05514	3.2
56.05026	0.8
62.06096	0.8
67.05511	7.7
67.23280	0.6
69.03440	0.8
69.07072	6.7
70.06583	1.8
70.51396	1.6
71.05004	0.9
72.08169	4.1
73.06542	0.8
81.03410	1.1
81.07067	4.0
83.04972	0.6
84.04514	0.8
84.08138	1.5
85.02904	0.9
86.06071	24.1
89.06035	0.7
91.05479	7.7
93.07037	5.6
94.06601	0.7
95.08616	13.7
96.08141	7.3
97.06511	1.6
98.06056	2.5
98.09216	0.7
98.09706	8.9
98.21378	0.7
99.04459	2.4
105.07016	2.2
107.08590	1.1
108.08121	2.9
109.10136	3.4
110.09679	1.2
112.07600	1.0
114.09147	1.8
114.09915	0.6
116.10739	56.9
117.11111	0.7
119.08598	11.1
121.10128	0.8
122.09698	1.9
123.08070	1.5
124.07600	2.5
129.07031	0.7
137.06010	0.7
137.09637	6.6
138.09088	0.8
139.09953	0.8
141.09111	1.7
142.08650	6.3
147.08066	2.6
152.10727	0.9
165.09126	1.3
181.12288	1.0
208.17052	0.7
212.16483	1.8
220.17036	0.9
230.17349	0.7
233.11737	0.7
236.20119	0.8
238.18060	1.9
245.13837	1.8
250.25214	0.9
252.19574	0.9
254.21155	6.1
256.19162	6.1
280.19080	6.8
298.20111	6.9
316.21207	100.0
317.21545	2.8
373.58524	0.7
412.26910	1.2
430.19281	0.8
430.27710	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	430.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01861	1.2
55.05510	2.6
56.66592	0.7
57.03444	1.0
60.71743	0.7
67.05507	6.0
69.03425	1.4
69.07074	6.8
70.06588	2.6
71.04984	3.4
71.51128	1.0
72.08144	3.3
81.03406	1.0
81.07059	3.0
83.04989	1.3
84.08177	1.1
85.02917	1.8
86.06073	20.7
91.05489	8.7
93.07049	5.2
95.04951	1.6
95.08614	14.1
96.08146	6.3
97.06532	2.7
98.06047	2.2
98.09703	8.9
99.04429	2.3
105.07073	1.6
107.08611	1.7
107.90018	1.0
108.08129	3.8
109.06554	0.8
109.10162	2.6
110.09711	0.9
114.09170	2.0
114.32120	0.6
116.10740	59.9
117.06998	1.0
118.05733	0.8
119.08590	11.4
120.08086	1.0
122.09693	1.7
123.08085	0.9
124.07598	2.3
127.03894	0.8
127.11207	9.2
129.07048	0.9
135.08118	0.8
137.05952	1.3
137.09634	7.1
138.09099	1.1
140.10689	1.1
142.08647	5.8
147.08043	2.5
149.09683	0.9
165.09099	0.8
181.15192	0.8
209.11644	1.0
212.16441	1.3
233.11792	1.6
233.15425	1.7
236.20061	1.4
238.18008	2.5
245.13934	1.0
251.16385	3.7
254.21190	4.3
256.19141	5.3
280.16223	1.3
280.19089	6.4
298.20132	6.3
316.21207	100.0
317.21564	2.2
318.83472	0.7
412.27231	2.0
430.12576	1.1
430.27774	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	430.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73388	12.3
53.54314	10.1
57.03429	11.6
64.85736	8.7
67.05491	14.3
69.03423	15.9
71.51159	16.8
74.06076	23.4
81.03403	12.9
81.07053	24.4
83.10577	9.5
83.16544	8.9
84.00743	9.4
85.02896	33.9
86.09692	12.4
88.22229	8.7
93.07042	18.3
95.04960	13.5
95.08631	10.3
97.02881	15.3
97.06499	12.0
105.07011	9.8
109.10174	12.5
110.84428	10.5
117.06976	12.4
119.08597	12.4
121.02828	11.6
121.06538	31.6
123.08047	18.8
127.03908	19.6
137.05966	46.9
145.42996	10.9
149.09607	22.2
151.03886	12.7
151.07550	73.1
168.07422	9.4
173.09612	19.8
175.07529	22.9
177.09120	100.0
183.13802	15.4
187.07520	10.5
191.10699	27.0
233.15366	99.0
269.13934	17.6
288.07178	10.5
431.13379	27.2
431.18747	12.3
433.36417	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	8.9
55.01881	12.5
57.03441	6.8
61.02923	7.8
68.98232	1.2
68.99799	2.8
69.03431	32.1
70.68449	1.5
70.68786	2.7
71.04980	5.2
73.02921	11.2
81.03419	35.6
83.01299	1.6
85.02908	100.0
87.00830	35.1
91.03957	3.3
97.02892	40.4
98.06036	1.9
99.04456	19.0
105.01189	2.1
105.01870	29.5
108.04483	10.3
109.02890	38.8
115.03915	2.2
117.01861	4.7
126.05508	4.9
127.03922	77.1
129.01830	5.5
133.06447	1.7
137.05989	3.2
145.04970	44.1
147.02899	4.2
159.02902	27.8
165.09122	1.4
177.03958	2.4
189.09146	5.6
208.01118	1.2
212.05513	1.4
213.03963	3.0
227.53329	1.2
230.06638	3.5
231.05009	17.1
231.10074	1.9
248.07689	4.4
277.07550	1.5
321.44043	1.4
381.60364	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3731
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
51.43844	0.6
55.05512	3.6
57.07079	19.0
67.05247	0.5
67.05515	5.5
69.07082	3.7
71.08638	13.1
71.10693	1.0
73.82446	0.5
79.05476	1.9
79.35828	0.5
81.07068	7.7
83.04977	1.0
83.08623	3.0
85.10184	6.0
86.72154	0.6
91.05488	2.1
93.07020	2.1
95.08611	6.0
97.10163	1.7
99.11710	0.7
105.07040	3.2
107.08609	5.7
109.10172	7.6
111.04430	1.1
111.11735	1.4
117.07013	1.3
119.08605	4.4
121.06529	1.1
121.10155	4.1
122.07239	0.9
123.08040	1.1
123.11703	1.4
131.08572	2.1
133.10161	1.4
135.08084	4.5
135.11674	3.2
137.05965	0.6
137.09633	10.7
137.13243	0.7
139.07549	2.0
143.08595	0.7
145.10126	2.0
149.09642	14.0
149.13268	0.7
151.07581	1.6
157.10129	0.9
159.08092	0.9
159.11697	2.9
160.08868	0.9
161.09653	1.8
162.06750	0.8
163.07545	0.8
163.11195	21.2
164.08246	0.7
165.09126	100.0
166.09425	1.8
173.09628	3.0
173.13234	1.9
175.07526	1.4
175.11188	5.4
176.08356	2.0
177.09122	10.7
177.12772	2.4
179.10684	1.3
186.10336	1.2
187.11185	2.7
187.14774	0.8
189.09041	1.4
189.12752	1.6
190.09894	1.6
191.10670	9.4
200.12003	0.9
201.12775	2.1
203.10689	2.5
203.14360	0.7
205.12276	9.8
205.90800	0.6
215.14381	1.5
217.15791	0.6
219.13817	5.3
233.15405	2.4
247.16965	1.9
261.18549	1.3
275.20026	1.2
289.21588	1.4
303.23257	1.6
317.24887	1.1
331.26288	0.6
345.27985	1.0
359.29529	0.9
401.34262	2.3
411.36243	1.7
429.37329	33.2
430.38049	3.5
432.31619	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.373
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
51.06043	0.8
55.05503	3.9
57.07079	19.0
67.05511	5.7
69.07066	5.2
69.81980	4.3
71.08633	13.6
73.04752	1.8
79.05481	2.6
81.07063	8.3
83.08603	3.7
85.10197	6.0
91.05500	2.4
93.07066	4.6
95.08616	8.6
97.10194	2.2
98.20776	1.7
105.07024	3.3
107.08591	5.5
109.10172	5.6
111.11732	1.8
117.06986	1.6
119.08582	5.0
121.06470	1.1
121.10126	4.4
122.07316	0.9
123.08109	1.7
123.11700	1.7
125.05952	0.8
129.06973	0.8
131.08588	2.6
133.10165	0.9
135.08049	4.6
135.11705	1.9
137.09613	11.1
139.07510	1.8
145.10141	1.9
147.11700	1.4
149.09631	15.4
149.13353	1.3
151.07571	2.5
159.08093	1.8
159.11708	4.3
160.08873	1.0
161.09601	1.6
163.11203	22.3
165.09126	100.0
166.09520	1.2
167.05594	1.3
173.09671	2.1
173.13261	1.6
174.10439	1.2
175.11147	7.7
176.08293	1.0
177.09122	11.1
177.12749	2.4
179.10645	2.0
186.10396	1.1
187.11166	3.2
187.14818	1.1
189.12772	1.8
191.10683	10.0
193.12192	1.0
201.12813	4.1
203.10728	2.4
203.14383	1.3
205.12257	12.5
215.14343	1.9
219.13814	6.1
233.15434	4.3
244.36406	0.8
247.17050	1.6
261.18549	1.4
268.45123	0.9
275.20172	1.5
289.21591	1.9
303.23154	1.6
317.24701	1.3
317.28430	0.9
345.28098	1.2
359.02774	1.0
359.29391	0.9
373.31082	1.1
401.34189	2.6
411.36584	3.8
429.32169	2.8
429.37283	53.6
430.37766	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.05507	2.5
56.30464	0.6
56.37394	0.6
57.03437	5.0
57.07085	1.0
67.05508	9.8
67.85107	0.6
69.07085	3.2
70.75900	1.2
70.76252	1.2
71.04982	0.9
75.66232	0.6
79.05493	9.1
81.03406	1.8
81.07061	11.3
83.08624	1.5
91.05474	5.4
93.07050	10.9
95.08611	8.2
97.10198	0.8
105.07037	4.0
107.08598	8.3
109.06547	0.9
109.10153	3.1
113.00023	100.0
117.07028	2.1
119.08585	3.4
121.10151	5.9
123.11742	3.0
131.08546	4.3
133.10135	2.4
135.11661	4.8
137.13283	1.2
145.10121	4.1
147.11667	1.9
149.09641	0.9
149.13271	3.7
155.01054	0.8
159.11694	3.2
161.13271	2.0
163.03879	0.9
163.11176	0.6
163.14812	3.2
169.02621	82.6
170.02962	0.8
173.13280	2.8
177.16423	1.7
187.03889	0.7
187.14812	1.7
201.16302	0.9
213.05554	1.2
233.22554	0.9
243.21097	6.6
261.22128	18.0
267.13672	0.7
310.29434	0.7
397.09064	0.6
429.19141	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	429.2751
Annotation	Palau'imide
Peak:m/z	Relative Intensity
55.05497	0.8
67.05495	1.1
69.03424	0.5
69.07078	0.5
70.06579	0.9
71.51702	0.5
72.31659	0.4
79.05492	1.2
81.03422	0.7
81.07071	2.1
82.06576	0.5
83.04971	0.3
87.04472	14.9
91.05473	1.0
93.07051	2.4
94.06570	1.8
95.08610	3.0
97.10151	0.4
104.12864	0.3
105.07017	2.2
107.06053	0.6
107.08611	1.9
109.10177	2.0
117.07018	0.4
119.08588	1.9
120.08126	0.6
121.10148	2.9
123.11673	0.6
129.07036	0.4
131.08575	1.3
133.10141	1.7
135.04465	0.4
135.11700	1.3
137.72615	0.3
139.11171	0.3
139.57628	0.3
143.08548	0.8
145.10086	1.9
147.11681	1.1
149.02339	1.3
149.13232	0.4
150.12886	0.4
155.08517	0.5
157.10223	0.7
159.11754	0.8
161.13283	0.8
163.03928	1.1
163.14810	0.4
171.11661	0.6
173.02345	0.4
173.06071	0.4
173.13258	0.9
189.13835	0.5
193.04967	0.8
197.13336	0.5
198.12794	0.4
211.14896	0.4
215.15492	0.4
227.17960	0.5
237.07759	0.4
247.16922	0.6
253.19502	1.0
268.11737	0.4
270.22223	5.2
272.23825	0.6
280.20667	1.2
297.23206	3.2
298.21472	0.8
299.20413	0.5
304.59677	0.3
316.22742	7.6
343.23801	17.3
344.24127	0.6
359.02908	0.5
385.08975	0.5
402.26413	1.1
429.18399	2.9
429.27505	100.0
430.27826	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	429.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.9
55.05522	9.6
57.07078	35.5
64.17960	4.9
65.03949	4.5
66.26103	4.2
67.05508	62.9
69.01517	4.5
69.07072	10.2
69.64674	4.3
71.50999	7.3
71.51397	5.2
79.05154	4.4
79.05508	55.1
81.03423	10.4
81.07061	100.0
83.08588	8.4
91.05479	66.9
93.07043	80.3
95.04959	7.7
95.08614	57.3
105.07040	92.3
106.01050	5.1
107.08588	57.8
109.06546	5.7
109.10175	26.9
113.89341	5.2
117.07016	23.2
119.08601	60.2
121.10163	27.0
123.08062	7.4
123.11686	22.8
127.11234	11.0
129.07030	23.1
131.08612	36.3
133.10138	72.0
135.11688	15.9
137.09653	8.1
143.08559	19.2
145.10115	39.0
147.11681	31.7
149.13231	7.3
151.11212	6.5
155.08572	12.7
157.10129	19.8
159.11713	49.2
161.13275	43.5
163.03889	6.8
163.11281	9.8
163.14912	8.4
169.10110	14.0
171.11702	18.3
173.13326	29.4
175.14838	11.3
183.11685	9.2
185.13223	15.9
187.14857	13.6
191.14291	8.2
197.13275	8.5
199.14763	13.6
201.16469	11.6
211.14847	12.3
225.16483	6.2
226.29474	4.8
227.17906	17.9
239.18031	8.0
257.22638	6.6
263.11115	5.8
267.21124	58.4
285.22180	42.7
309.34570	4.9
429.18991	30.1
429.31964	13.3
444.21637	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	429.2121
Annotation	Hypochoeroside A
Peak:m/z	Relative Intensity
50.26403	2.1
51.31542	1.6
59.05000	2.1
61.02918	2.1
69.03416	5.8
70.06604	2.0
70.23581	1.8
71.45510	4.7
81.03428	3.4
81.07062	2.4
83.97908	2.2
85.02927	11.2
95.08621	4.2
97.02920	4.7
102.63092	2.1
108.32899	2.0
121.06492	9.4
137.05998	11.3
143.08571	3.6
145.10152	4.6
147.08055	2.4
151.07567	16.2
151.84561	1.8
162.06870	2.1
163.07553	8.1
163.11195	8.7
173.09782	2.2
175.07556	14.6
176.08272	5.3
177.09196	9.5
184.23042	2.4
189.09105	9.1
191.10680	100.0
231.13823	21.8
249.14870	26.2
251.86771	2.2
381.95847	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2277
Annotation	Andilesin
Peak:m/z	Relative Intensity
55.01867	2.6
55.05504	4.5
57.03426	5.3
57.07066	1.6
64.12116	1.5
66.32677	1.9
67.05494	7.4
69.03426	5.5
69.07069	3.6
70.85464	3.3
70.85812	3.3
71.01372	2.0
71.05000	34.7
73.02921	2.9
73.30169	1.6
79.05485	6.5
81.03408	5.5
81.07059	6.6
83.08621	2.8
83.77496	1.7
85.02905	7.9
91.05473	5.9
93.07043	4.5
95.04975	1.6
95.08624	2.5
97.02901	11.3
97.10163	3.0
99.04465	2.0
103.03938	7.3
103.05461	1.8
105.07017	5.6
107.08595	4.3
109.10151	9.1
111.04453	2.6
117.07009	1.8
119.08594	4.5
121.06500	6.7
121.10120	3.0
123.08031	2.6
127.03892	6.9
127.11204	100.0
128.06247	1.7
129.06995	3.6
131.08537	2.1
133.10098	3.7
135.08070	2.9
135.11728	1.6
140.23730	1.6
141.07056	1.6
143.08612	3.3
145.04967	2.7
145.06425	3.1
145.10141	3.1
147.08029	2.1
149.02342	6.7
151.07492	2.5
155.08549	2.0
157.06485	2.3
157.10156	3.0
158.07281	2.5
159.08035	5.2
161.09590	2.7
163.03854	3.1
163.07622	2.6
163.11176	1.9
171.08122	2.8
171.11745	1.5
172.08852	2.1
173.09615	6.1
175.07510	3.1
177.09093	9.1
185.09625	4.3
187.03914	2.1
187.07610	2.5
187.11226	2.2
189.09085	6.9
189.12825	2.1
193.04970	5.1
195.11694	1.7
197.09544	2.6
197.13327	2.2
199.11240	8.8
201.09070	3.1
201.12747	3.7
203.10608	7.8
211.11156	3.0
213.05530	2.0
213.09050	5.1
213.12791	4.9
214.09877	2.3
215.10641	8.8
216.11267	2.1
217.12292	4.9
219.10097	2.0
223.59421	1.8
225.09026	2.4
225.12746	3.0
226.09790	2.7
227.10667	10.8
227.14394	2.7
228.11470	2.6
229.12289	14.7
231.10239	2.1
239.10651	3.4
239.14398	3.4
240.11299	2.0
241.12248	19.0
242.12999	2.8
243.09898	2.2
243.13887	5.8
253.12172	5.2
255.13826	15.9
255.17458	9.8
267.13840	5.3
268.14554	2.2
269.15375	7.7
281.15396	1.9
283.16931	62.1
285.11362	3.3
285.18536	18.6
297.18512	83.9
297.82556	1.7
303.19565	35.1
311.12866	1.9
315.19629	9.1
325.18066	3.3
327.19443	3.6
332.21417	1.6
337.18079	2.5
339.19562	4.8
345.20538	5.9
347.14871	4.3
359.02423	2.1
373.16513	6.5
381.20709	2.5
385.09161	2.6
393.20508	4.0
399.21671	3.0
401.23361	3.5
411.21658	65.3
411.27106	3.5
415.00122	1.9
429.11523	5.9
429.23138	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2121
Annotation	Hypochoeroside A
Peak:m/z	Relative Intensity
54.25358	1.3
55.05516	1.3
57.03437	1.9
59.05008	3.3
61.55653	1.1
67.05506	2.4
69.03425	5.4
69.27993	10.7
70.06598	5.9
71.04983	1.3
76.55164	1.2
79.05519	2.8
81.03430	1.2
81.07041	1.4
85.02900	12.7
85.06541	2.6
86.09697	1.6
87.04463	1.5
91.05472	2.1
93.07046	1.4
95.04917	1.2
95.08601	2.1
97.02891	4.3
105.07033	2.4
107.08611	3.6
109.06540	1.1
116.07099	2.3
119.08612	1.9
121.06511	8.5
124.94279	1.1
127.03908	2.9
135.08069	2.2
135.84554	1.2
137.05997	11.1
143.08591	2.3
145.10144	3.8
147.08116	1.3
149.06030	1.8
149.09676	2.1
151.07547	12.9
161.05997	2.3
161.09688	1.5
163.07544	8.0
163.11200	6.8
171.08102	1.4
173.09621	2.5
174.06609	1.4
175.07558	17.8
176.08252	2.3
177.09087	6.7
187.76151	1.2
189.09096	7.5
191.10672	100.0
192.10951	1.3
195.08044	1.6
196.21730	1.1
202.09976	1.4
231.13812	19.7
249.14877	22.4
279.28430	1.4
286.10864	2.1
305.03717	1.3
353.15768	2.7
448.27957	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1912
Annotation	Edulisin V
Peak:m/z	Relative Intensity
53.03943	3.6
55.01870	1.5
55.05311	0.6
55.05520	7.3
57.03437	2.1
57.07070	2.0
65.03941	1.2
67.05511	16.7
69.03421	1.2
69.07088	3.3
69.07406	0.6
69.67455	3.5
69.71510	0.5
71.04985	0.8
71.40665	0.5
72.80647	0.5
77.03916	0.6
79.05502	17.1
81.03423	21.4
81.07063	17.5
83.04981	3.0
83.08621	2.7
85.02876	0.5
85.06551	1.1
89.03940	1.8
91.05478	16.4
93.06483	1.1
93.07052	17.0
95.04975	4.2
95.08619	8.2
97.02911	0.9
97.06530	1.3
97.10184	2.3
99.48120	0.6
103.05436	1.8
105.03376	1.1
105.07037	12.2
107.04963	2.0
107.08607	7.1
109.06531	1.4
109.10159	5.6
111.08151	0.7
113.00053	1.7
115.05444	1.7
117.03387	2.0
117.07049	3.7
119.05000	0.7
119.08588	9.8
121.06474	0.8
121.10143	9.5
123.08064	1.1
123.11735	1.5
128.06227	0.6
128.65396	0.7
129.07034	3.7
131.04950	2.4
131.08595	5.4
133.02859	3.5
133.06587	0.8
133.10156	5.0
135.04430	3.9
135.11726	1.4
137.09680	0.9
141.07024	0.9
141.11552	0.6
142.07761	0.9
143.04987	0.8
143.08606	1.9
145.02850	3.3
145.06433	0.9
145.10106	2.9
147.04408	2.6
147.08131	1.1
147.11726	5.2
149.05986	1.3
149.09637	6.5
151.11205	1.3
155.08563	0.8
157.06514	2.2
157.10161	2.5
159.04433	10.5
159.11681	1.3
161.02361	6.4
161.06006	1.0
161.13264	1.4
163.03929	24.3
165.07120	0.7
165.12776	2.1
169.02673	0.9
169.06462	1.2
169.10123	0.7
171.04451	1.0
171.11734	1.8
173.02365	14.1
173.05989	4.1
173.13307	1.2
175.03914	1.9
175.11232	1.4
177.05511	1.1
181.06433	1.3
185.05907	3.4
185.13289	1.0
187.03925	13.1
187.07483	0.8
189.05495	1.8
191.03438	0.9
193.04987	0.8
193.12184	1.4
195.08072	0.9
197.05997	1.5
199.03934	9.2
199.07646	1.6
199.14772	0.9
200.04559	0.6
201.05470	4.4
203.03419	0.8
203.07144	0.6
211.15027	0.9
213.05495	12.2
217.05113	0.9
223.07684	0.7
223.82730	0.7
225.05704	0.7
227.06984	2.3
227.17886	0.7
229.05099	0.8
249.12614	0.8
263.41058	0.7
265.12241	0.9
267.13815	8.0
267.21234	1.9
269.08551	0.6
269.11789	0.9
283.13300	3.5
285.15009	1.0
285.22092	1.2
293.11694	3.6
307.31708	0.6
309.14792	1.0
311.12857	8.2
311.16187	1.1
325.55069	0.7
327.15936	2.3
329.13834	1.0
337.14218	3.1
355.15366	8.7
376.42706	0.7
411.18405	0.9
411.36411	0.9
419.91943	0.6
429.19138	100.0
430.19504	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	429.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23912	0.6
57.03449	0.9
67.05460	0.8
70.06594	0.8
70.75224	1.6
70.75577	0.7
72.08159	0.7
76.38756	0.8
79.05508	0.8
80.63834	0.6
81.03406	1.2
81.07022	1.2
83.08595	0.8
85.02903	1.5
86.09702	0.8
91.05455	1.4
93.07041	0.8
95.04944	0.7
95.08616	1.2
97.02908	1.2
105.07028	1.8
107.08611	1.2
109.02881	0.8
111.04438	1.0
119.08598	1.4
121.06496	0.9
121.10162	0.7
124.81060	0.7
127.03943	1.2
127.71358	0.6
137.05986	1.2
143.03149	0.9
143.08531	0.8
147.08040	1.0
149.09743	0.6
163.11150	1.7
175.07646	1.6
203.05292	7.2
203.06976	1.1
205.12151	0.7
218.05719	0.7
223.11870	1.3
225.09711	2.4
231.13701	0.8
241.12833	0.8
243.10812	2.2
249.11017	1.7
249.14912	1.0
267.12170	13.5
267.15073	1.0
267.16147	0.6
285.11774	0.7
286.87366	0.8
308.76331	0.7
429.17346	100.0
430.17471	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.3
55.01870	4.7
55.05516	1.7
57.03433	4.6
61.02927	3.9
61.12107	1.3
68.99792	2.6
69.03437	20.8
70.99535	2.0
70.99873	1.9
71.01347	1.3
71.05003	3.5
73.02921	4.1
79.05495	3.1
80.54111	1.3
81.03426	21.0
81.07044	4.6
82.36372	1.2
83.04995	1.7
85.02911	40.2
86.09708	2.5
87.00831	15.7
89.24631	1.2
91.03986	2.0
91.05479	3.9
93.07059	8.0
95.04984	14.5
95.08621	2.0
97.02899	14.6
99.04475	8.2
105.01878	12.0
105.07053	8.4
107.08594	12.6
109.02887	20.7
109.06511	3.1
117.07040	3.2
119.08601	2.8
121.06509	3.1
121.10147	12.1
125.06021	3.7
127.03931	36.8
128.60970	1.2
129.01910	2.4
130.07770	2.9
131.08589	1.3
135.11687	4.7
137.05975	1.7
145.04990	12.6
145.10138	12.3
147.02895	3.1
159.02890	14.3
161.09688	1.7
163.11192	100.0
164.11520	1.6
167.07043	2.1
175.07512	1.7
175.11243	2.5
181.12225	5.9
189.03896	1.7
205.12286	6.2
213.04066	2.2
223.13318	5.8
231.05020	7.0
393.15363	2.4
429.17392	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01863	2.7
55.05499	4.8
57.03428	2.8
57.07073	9.5
61.02927	2.9
67.05493	2.9
69.03439	13.7
69.70798	6.6
70.06604	1.8
71.04984	2.7
73.02922	2.5
79.05483	1.5
81.03064	1.1
81.03429	12.6
81.07050	1.7
83.04978	1.7
83.08626	2.6
84.04510	1.4
85.02917	31.7
85.03434	1.9
85.06550	1.6
86.06052	1.4
87.00840	13.5
89.06039	22.6
91.03979	1.7
91.05506	3.0
93.07046	2.5
95.08624	2.3
97.02905	13.6
99.04494	5.5
101.09674	10.1
105.01873	8.1
105.07026	1.7
107.04982	1.3
107.07079	27.6
107.08579	1.7
109.02878	10.7
113.06026	1.6
116.10756	1.6
117.01887	1.2
119.08556	1.3
127.03097	1.6
127.03942	20.4
127.62991	1.2
145.04982	8.4
145.10063	1.2
145.12190	1.1
159.02922	6.2
163.07483	1.3
163.13307	100.0
165.14398	1.0
175.20683	1.0
180.04671	1.0
182.15433	2.5
184.13416	1.5
208.13393	1.7
211.13110	1.1
213.04041	1.6
226.14337	1.2
228.15900	2.5
231.04999	3.2
244.15504	10.0
428.17462	1.5
428.26297	2.5
429.17148	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09560	11.6
53.59365	12.0
55.05518	87.7
55.62646	11.4
74.26252	12.4
83.04979	100.0
123.48447	12.0
250.20523	13.5
261.11295	40.2
365.09198	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	429.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08723	2.5
56.96570	25.9
70.06599	16.9
70.29050	2.4
71.50341	3.8
73.04755	12.3
84.96046	16.4
85.02903	5.2
86.09694	3.5
91.05796	18.0
95.08323	2.4
97.06536	3.0
98.96941	4.8
98.97585	100.0
110.97575	35.3
112.99126	6.6
116.98616	39.1
122.07201	4.1
123.07935	14.2
124.08724	19.4
124.85184	2.7
128.98604	28.2
131.00148	7.2
134.99663	7.8
140.98593	4.9
143.00169	16.0
144.98064	3.2
146.99684	8.9
149.04538	3.7
150.12465	2.5
158.99712	10.4
161.01198	22.7
167.05537	6.4
170.99663	7.0
177.00749	10.6
182.99643	3.4
184.00435	3.3
189.00746	7.2
194.99693	3.2
201.00719	9.1
219.01762	56.4
225.00668	6.4
227.99391	4.7
237.02834	61.3
243.01794	40.8
258.13495	2.9
261.02826	23.8
285.02783	6.1
303.01614	3.3
306.00723	2.8
307.11313	2.8
308.71716	3.1
309.02902	3.0
321.02826	12.5
327.03973	3.2
358.74966	2.7
359.02786	15.0
369.04892	50.8
384.25214	3.5
387.05939	46.8
410.07434	4.7
429.07001	31.2
429.17975	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	429.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62569	9.7
56.96562	39.0
69.03412	11.9
69.45283	29.7
69.45706	55.1
70.06596	33.2
73.04749	49.2
81.04549	12.3
83.31393	9.9
85.02913	22.3
91.05807	59.5
94.98559	11.8
97.02879	14.8
98.97588	44.0
110.97591	15.3
114.03664	13.7
123.07951	38.2
124.08721	39.2
128.98663	12.4
136.06175	29.8
147.29062	12.8
150.05568	17.9
154.28699	11.5
167.05550	27.2
189.08139	11.9
203.04051	14.1
219.01758	15.8
237.02988	27.7
237.05247	11.1
289.68082	11.9
359.02893	51.7
387.05841	15.4
429.11584	100.0
429.17490	18.2
429.26175	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	429.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75185	3.0
53.03945	10.6
53.13859	3.4
53.24949	3.2
55.01873	14.4
57.03428	10.5
61.02933	8.8
67.05492	10.8
68.99804	10.3
69.03427	39.5
69.07090	4.3
70.44738	3.5
70.82543	3.4
70.82883	7.4
71.05001	6.8
73.02923	14.4
79.05477	5.1
80.82819	4.0
81.03426	48.0
81.07047	5.6
81.90070	3.6
85.02909	100.0
87.00834	44.9
91.05457	23.6
93.07047	15.3
95.04965	5.0
95.08646	5.5
97.02905	47.5
97.06562	3.6
99.04477	18.2
103.05473	3.7
105.01872	25.8
105.07034	14.6
107.08597	11.4
109.02862	26.8
109.06525	7.2
109.10168	6.7
115.03921	7.2
115.05457	6.6
117.01844	5.9
117.07026	11.7
119.08582	36.5
121.06520	11.8
121.10128	7.1
123.08107	5.4
125.02389	3.5
126.16951	4.0
127.03926	67.4
129.01805	6.1
129.06973	3.9
131.04907	3.8
131.08565	3.8
133.06522	3.7
137.05951	4.8
137.09619	23.2
139.07637	3.7
140.04700	14.1
145.04991	27.7
145.06439	4.5
145.10147	6.0
147.02892	5.1
147.04439	7.4
147.08070	5.6
147.11719	7.0
149.05968	10.9
153.05464	20.6
159.02904	19.7
161.05971	6.2
161.13304	5.3
163.11203	16.9
164.04768	5.0
165.09186	10.9
173.06032	12.4
178.07974	4.0
181.08603	52.4
181.12250	6.7
183.10124	6.6
187.07513	5.6
189.03934	3.5
191.07062	4.3
192.84921	3.3
193.08574	10.2
193.34171	3.8
203.07039	5.1
205.08595	12.4
206.05740	3.4
229.08662	3.8
231.04903	4.7
243.10129	3.6
246.50020	3.5
247.09641	11.9
251.12823	11.7
255.07967	4.3
271.09677	7.5
289.10754	8.4
297.13269	5.8
423.68427	4.0
429.18130	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.3
54.42781	2.5
55.01869	5.2
57.03452	15.9
57.07069	11.0
61.02932	4.1
67.05501	4.9
69.03441	39.2
70.06587	3.4
70.85439	6.9
71.04996	8.9
71.08787	2.2
73.02927	8.3
81.03436	33.6
82.20280	3.0
83.04993	3.4
85.02917	100.0
85.06540	16.1
85.99679	2.5
87.00834	46.1
87.04428	3.2
95.04977	8.4
97.02905	38.9
98.97575	6.5
99.04488	14.0
101.06042	3.6
103.07594	79.9
105.01881	37.0
109.02898	29.8
113.05998	4.1
117.01856	3.0
117.22453	2.9
121.06464	2.9
127.03932	72.7
127.07555	13.8
129.01843	2.9
139.89113	2.5
141.88171	2.5
145.04988	22.2
145.08574	7.5
147.02859	3.5
149.09639	4.1
151.07539	11.0
159.02917	10.6
163.09689	29.4
173.08102	8.7
179.03406	3.1
180.10231	3.7
189.03923	4.0
196.65775	2.9
203.21170	2.9
222.08360	3.5
231.04999	13.4
253.10712	5.8
266.13635	4.7
273.74139	2.6
325.13300	4.7
347.16122	7.7
357.11801	4.4
375.12888	3.4
428.18414	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	427.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.0
55.01882	4.7
55.05513	23.6
57.03431	5.9
59.04989	4.5
59.08918	2.0
59.40757	2.0
61.02925	7.1
67.05504	7.1
67.93486	1.9
69.03144	2.1
69.03438	24.3
69.07073	9.2
69.35921	12.5
69.36329	3.8
71.04987	11.1
73.02913	3.0
74.92407	1.8
79.05493	6.0
81.03425	12.1
81.07059	12.1
83.04989	27.2
83.08631	4.3
84.49899	1.6
85.02914	51.5
85.06559	4.0
87.04476	2.9
91.05483	12.2
93.07064	12.5
95.04977	34.6
95.08610	10.0
96.44443	1.7
97.02890	19.8
97.06526	2.8
99.04438	2.8
101.06037	16.7
105.07029	15.3
107.04924	1.9
107.08613	13.2
109.02878	7.6
109.06528	12.0
109.10161	16.2
117.06982	3.7
119.04921	2.5
119.08597	11.8
121.06495	7.3
121.10155	10.4
122.06049	2.1
123.08091	3.3
123.11688	4.8
127.03906	9.2
127.11183	16.5
129.07074	3.3
131.08580	7.9
133.06406	2.4
133.10124	7.5
135.08014	10.5
135.11678	10.5
137.09680	2.1
141.06944	2.0
143.08609	5.3
145.04955	5.3
145.10109	13.9
147.11711	9.8
149.09648	3.7
151.07529	3.3
155.08507	2.1
159.08054	6.5
159.11710	3.4
161.09624	6.1
161.13292	4.6
163.11179	11.8
165.07159	2.1
165.12769	72.0
169.08470	2.2
171.11745	3.2
172.03941	4.3
173.09676	5.5
175.07594	2.3
177.09154	9.0
187.07539	4.5
187.14777	5.0
189.09129	3.6
189.12781	6.2
191.10725	10.8
199.07581	2.5
201.09076	2.8
205.15970	10.0
213.09247	2.6
215.07086	6.3
215.10681	2.0
229.15891	5.3
239.10684	2.6
241.08582	2.8
241.12254	2.8
242.09264	2.9
245.15601	2.4
247.16975	42.2
265.17996	100.0
267.10208	4.8
295.16849	2.4
311.16263	2.5
313.17963	3.0
323.16382	23.3
341.17346	11.0
409.22751	2.6
427.17554	6.7
427.23505	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.3
55.05516	40.6
57.07077	5.7
67.01838	4.1
67.05505	81.2
68.99795	51.8
69.03423	6.3
69.06737	3.6
69.07072	49.8
71.04979	9.6
71.11967	3.4
71.12302	6.4
75.81873	3.6
79.05497	36.9
79.95291	3.6
81.03410	5.5
81.06594	5.1
81.07059	97.5
83.04981	13.7
83.08626	25.6
83.09486	3.0
85.02890	5.6
85.06532	3.5
91.05494	15.6
93.07043	34.6
95.04967	8.8
95.08610	97.6
97.06541	10.6
97.10160	17.0
105.07005	13.6
107.04961	6.7
107.08601	21.0
109.02866	6.2
109.06506	9.5
109.10162	55.0
110.71382	3.6
111.00062	5.9
111.00811	100.0
111.04431	7.8
111.11697	6.5
115.05455	4.0
117.06996	4.8
119.08575	14.0
120.02384	3.3
121.06510	6.8
121.10140	40.9
123.04419	3.7
123.08067	7.5
123.11708	20.1
125.06044	5.0
127.03928	71.5
127.11191	22.4
129.01810	4.7
129.06956	5.0
131.08578	12.0
133.06505	4.2
133.10130	9.7
135.08058	5.9
135.11678	21.2
137.05997	7.1
137.09668	4.2
137.13216	9.6
139.03935	32.0
145.10114	8.6
147.08009	4.3
149.05980	4.6
149.09604	3.9
149.13239	10.8
151.03893	5.0
151.07568	4.7
151.14803	7.0
153.05435	13.9
155.03384	8.1
157.10112	5.7
159.08080	10.5
161.09619	3.9
163.14731	4.7
165.05518	3.8
165.09146	3.2
165.16350	5.5
167.07085	5.6
177.09096	11.2
178.26378	3.2
191.06937	3.4
195.10168	3.3
201.12909	3.4
221.11758	4.4
223.13321	4.1
247.24265	22.1
265.25262	11.2
266.25735	3.9
277.17914	3.7
279.23895	3.5
283.26346	6.4
289.25232	4.9
322.25580	3.5
324.60666	3.3
325.30740	3.3
331.26297	4.5
333.07019	3.2
349.27213	3.9
353.13278	3.8
355.26233	4.8
373.27399	34.3
391.28464	68.3
409.29395	50.9
427.13647	8.6
434.33649	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	427.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96583	5.7
59.60466	4.2
69.03419	17.4
70.06600	8.5
70.87233	6.0
70.87558	9.4
79.05508	5.1
80.75877	3.9
85.02902	11.6
86.06066	13.6
88.07643	10.9
91.05488	8.6
93.07011	5.0
94.06530	3.9
97.02885	4.9
99.06819	4.7
105.07026	6.7
107.08578	5.6
109.02889	5.9
116.07089	17.5
119.08575	6.5
121.06511	6.2
122.05987	5.2
123.04471	4.0
126.09142	5.0
127.03950	5.6
135.08054	4.8
136.07574	15.5
137.05951	8.4
138.09123	5.9
139.37657	4.7
144.26874	4.0
147.04367	4.2
151.07559	7.4
161.05966	4.8
164.07100	19.4
167.07048	7.0
169.61635	4.2
170.08115	7.2
179.03410	100.0
191.06921	5.8
213.99570	4.0
229.12280	4.9
247.13269	9.6
255.04344	4.1
265.14319	7.2
274.92548	4.5
283.12180	11.5
311.16766	6.1
323.16873	10.7
340.17462	5.5
341.17853	26.3
427.16693	75.9
427.21472	21.3
445.17093	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	426.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.7
55.05518	6.0
57.07080	1.6
62.92065	0.6
67.05499	3.8
69.07075	6.6
70.06583	1.7
70.25908	2.0
71.05011	0.9
71.08625	2.6
72.08157	3.2
79.05467	1.7
81.07063	6.3
83.04968	1.1
83.08617	6.0
84.08147	1.9
86.05594	1.3
86.06072	17.9
91.05499	1.2
93.07060	3.4
95.08623	4.0
96.08128	3.8
97.06532	3.1
97.10168	0.7
98.06038	1.6
98.09702	9.3
99.08086	1.5
105.07042	1.3
107.08584	3.5
108.08103	3.2
109.10171	1.8
110.09645	1.4
111.08080	1.7
114.09178	0.7
116.10738	45.1
121.10145	2.3
122.09634	2.6
124.07581	2.2
134.09593	0.9
142.12276	1.0
143.10680	6.3
149.13275	4.2
159.11748	1.1
167.14293	1.1
188.12872	0.8
196.17023	1.5
214.18022	15.7
228.23283	0.9
238.18088	1.1
239.16426	2.3
257.17493	3.1
264.23294	0.9
274.21710	1.0
280.22421	0.8
292.22720	3.2
310.23776	20.9
326.63058	0.7
328.24826	100.0
329.25110	1.8
364.28473	1.4
396.87149	0.7
426.32214	9.0
427.13727	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	49.1
55.58843	17.5
55.92226	18.3
67.05507	55.0
68.36498	18.0
69.07043	19.4
71.01971	26.9
71.02331	22.3
77.35741	18.7
79.05498	30.0
81.07060	94.0
82.54573	23.2
91.05472	47.5
93.07063	74.2
95.08614	57.6
95.51296	19.8
102.86750	25.2
105.07026	100.0
107.08591	38.5
109.10182	36.2
117.07007	28.2
119.08591	63.2
121.10236	24.5
131.08545	56.5
133.10118	22.6
135.11670	22.5
142.07851	26.7
143.08588	29.3
157.10152	25.4
159.11748	35.8
171.11674	26.5
185.13295	24.4
213.09113	24.5
227.17899	20.8
259.09845	33.3
267.21088	31.8
293.35974	22.4
312.21854	25.0
313.71509	20.1
354.75781	20.4
367.57181	24.6
448.14331	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82517	0.2
57.04550	0.5
69.03427	0.5
70.06583	0.5
71.51006	0.3
77.02370	0.2
81.03417	0.2
85.02900	0.9
94.04078	1.6
95.08604	0.2
97.02917	0.4
123.04474	0.5
123.06675	0.8
127.03915	0.4
133.05130	0.4
135.05344	0.3
140.34587	0.2
148.06117	0.2
150.07756	100.0
151.07446	0.4
151.08113	0.3
156.79286	0.2
175.07486	0.5
176.05742	0.3
179.03423	1.3
179.07040	0.2
195.02357	0.3
247.13509	0.3
282.11978	0.6
295.11517	18.7
296.11710	0.3
427.19800	0.5
434.11642	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	427.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.3
56.96586	3.9
69.03415	12.0
70.06577	9.9
71.50076	2.3
71.50458	3.7
72.04509	4.0
72.08145	2.6
81.03429	4.3
81.07031	6.1
85.02908	9.8
86.06066	14.2
86.09739	2.9
87.06400	3.3
88.07616	7.1
88.26401	3.3
88.61023	2.7
91.05484	7.4
97.02906	4.7
97.06548	4.3
98.97578	4.1
101.34822	2.4
105.07004	5.7
107.08608	3.6
107.93578	2.6
116.07087	12.6
117.07925	4.2
119.08521	3.0
121.06516	6.1
123.08054	3.8
124.07565	4.9
126.09163	3.0
127.03877	6.7
127.11158	2.8
131.08614	4.3
133.09982	3.6
136.07584	15.7
137.05956	4.8
142.08609	3.2
145.10217	3.7
152.07037	5.3
163.07529	3.0
164.07030	11.6
167.07089	4.0
170.08099	3.9
175.07588	2.9
177.05472	3.6
179.03403	100.0
179.06863	2.9
182.17769	2.7
187.07446	3.9
191.07085	3.8
219.01804	4.8
229.12154	4.1
235.78622	2.7
247.13385	4.3
265.10989	3.8
265.14249	8.0
283.00983	2.6
283.12204	7.0
311.16724	6.3
323.16827	11.7
323.82700	2.8
340.17548	6.2
341.17947	30.5
409.20688	3.7
427.16800	63.8
427.21603	17.5
445.17651	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	426.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38870	0.5
50.39991	0.5
55.05493	1.7
62.06093	0.6
67.05486	1.2
69.07061	1.7
70.31779	1.6
70.78143	0.4
71.08633	5.1
72.08141	1.4
79.05481	0.6
81.07091	2.9
83.08621	1.6
84.04536	0.5
84.08139	1.5
86.06092	2.5
86.53929	0.5
90.34769	0.5
91.05451	0.8
93.07037	1.1
95.08588	2.0
96.08125	2.1
98.06061	1.0
98.09719	2.4
99.08089	2.5
107.08588	1.2
107.62160	0.6
108.08130	1.7
110.09631	0.8
113.08400	0.7
116.09908	0.9
116.10738	14.5
122.09669	1.2
126.09145	0.6
127.11260	0.5
133.10123	0.5
136.11134	0.8
140.10698	0.7
143.10699	1.6
150.12735	0.6
154.15868	2.9
164.14404	1.0
166.15918	2.9
178.15910	1.9
184.16351	0.5
196.16956	6.9
214.18031	100.0
215.18315	1.5
229.12225	0.6
257.17471	2.0
295.88611	0.5
310.23642	1.4
328.24954	2.8
426.27444	0.7
426.32303	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3782
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05510	8.6
57.07079	7.6
60.59391	1.9
67.05507	20.8
69.07072	18.8
71.08634	2.5
71.36938	3.2
71.37273	2.3
79.05500	9.4
81.07070	39.2
83.08628	9.7
89.06049	3.8
89.22000	1.9
91.05484	7.4
93.07050	16.9
95.08618	65.1
97.10163	5.0
98.12579	2.2
105.07045	12.5
107.08598	37.0
109.10158	52.4
111.11739	4.9
119.08589	25.2
121.10158	36.0
123.07977	2.5
123.11731	23.5
131.08607	3.2
133.10139	17.7
135.11694	24.1
137.13293	16.6
145.10136	8.5
147.11699	15.9
149.13269	15.4
157.10091	2.4
159.11711	9.6
161.13272	9.8
163.14857	10.4
173.13306	6.0
175.14810	10.5
177.16408	5.1
179.14349	6.2
184.07370	4.4
187.14880	7.3
189.16377	12.4
191.17891	16.3
193.15862	2.7
201.16443	5.6
203.17982	14.2
205.19510	10.2
207.17561	2.8
211.14857	2.4
215.18002	9.5
217.19604	8.7
219.21002	2.7
229.19537	2.9
231.21190	5.4
243.21164	5.1
245.22731	9.9
247.20624	11.9
259.24295	3.1
261.22186	4.4
269.22717	4.2
271.24319	6.2
285.25803	3.1
297.25708	4.1
311.27545	2.9
336.22748	2.3
351.21136	2.0
407.36832	21.4
425.37854	100.0
426.38412	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3782
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05512	12.8
55.79316	3.1
57.07082	7.8
61.75703	3.4
67.05512	23.6
69.07073	28.5
71.22070	7.2
79.05499	12.4
81.07060	50.3
83.08624	13.6
86.09707	11.9
86.71099	4.1
91.05492	14.8
93.07050	35.3
95.08617	73.9
97.10191	5.9
99.68054	3.6
105.07014	17.6
107.08610	62.3
109.10168	54.3
111.08028	3.1
111.11734	9.2
119.08598	26.2
121.10144	50.6
123.11713	39.3
124.99960	5.5
131.08591	7.2
133.10143	33.7
135.11684	37.6
137.13301	17.7
145.10115	12.3
147.11676	18.4
149.13309	21.4
159.11682	15.9
161.13243	19.9
163.14836	29.0
171.11705	4.4
173.13293	11.5
175.14859	18.3
177.16444	14.9
184.07346	27.0
187.14885	12.6
189.16393	15.5
191.17957	9.8
196.10780	3.9
199.14819	4.6
201.16364	6.6
203.18015	8.8
207.17490	5.3
215.17928	12.3
217.19531	15.9
219.17415	5.8
229.19481	9.1
231.21100	14.0
243.21124	14.3
245.22643	14.6
257.22650	15.9
259.24237	9.2
269.22745	10.4
271.24191	14.9
273.25690	4.0
283.24213	6.4
285.25772	11.5
297.25616	3.6
311.27435	5.8
329.28400	11.1
341.28540	3.9
387.28867	4.2
407.36780	31.7
425.32230	6.4
425.37802	100.0
426.38193	4.1
430.29608	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3783
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05511	10.6
57.07083	8.0
67.05501	27.3
67.52571	5.3
69.07060	33.5
71.08620	4.3
71.50851	4.9
71.51222	5.0
79.05499	12.1
81.07071	57.6
83.08651	4.9
89.06008	14.0
91.05496	9.5
93.07056	36.9
95.08064	8.7
95.08618	100.0
100.12499	4.5
101.96120	5.0
105.07043	24.8
107.08610	41.6
109.10167	55.0
111.11710	4.9
119.08570	24.0
121.10128	34.4
123.11710	28.5
133.08621	7.7
133.10149	20.9
135.11707	28.3
137.13269	17.4
147.11688	16.7
149.13284	21.5
159.11732	10.4
161.13264	13.0
163.14862	12.1
173.13188	6.4
175.14871	7.6
177.16406	5.3
187.14839	7.6
195.17375	4.7
201.16606	7.4
205.19518	6.6
215.18100	5.6
217.19585	8.1
231.21140	21.3
240.15201	5.4
243.21167	6.9
255.81740	4.7
257.22842	5.3
259.24408	9.4
271.24286	13.6
287.23871	5.3
367.33789	5.7
392.04346	4.9
407.36710	12.1
425.21292	14.4
425.37729	51.8
425.45319	19.6
448.34146	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	425.3266
Annotation	Mycaperoxide F methyl ester
Peak:m/z	Relative Intensity
53.03950	3.4
55.01880	4.9
55.05518	52.3
57.07077	11.5
62.18624	2.9
66.38550	2.8
66.46611	2.9
67.01867	7.3
67.05515	31.8
68.99801	36.7
69.07080	49.4
69.26054	27.6
71.05010	6.0
71.08650	6.3
79.05494	13.9
81.07071	38.5
83.04977	5.4
83.08640	32.7
87.00816	3.5
91.05497	11.1
93.07055	19.9
94.13741	3.0
95.04960	7.2
95.08611	35.4
97.06541	14.3
97.10193	21.9
98.20719	6.3
99.04464	3.7
105.07030	12.7
107.08620	14.9
109.10179	23.0
111.00819	71.6
111.04462	8.7
111.08115	3.2
111.11733	7.4
119.08615	7.7
120.67511	3.5
121.06516	5.2
121.10141	13.8
123.08064	4.6
123.11711	9.6
125.05997	3.4
127.03931	61.9
131.08618	3.8
133.10130	8.8
135.08099	4.0
135.11687	8.7
137.13335	3.2
139.03928	32.7
145.10097	7.4
147.08012	4.3
147.11713	7.4
149.13246	4.6
153.05441	6.6
154.19304	3.0
157.10130	4.1
163.11188	3.0
165.09233	3.7
167.06947	3.8
171.11737	2.9
176.21460	3.0
177.16347	2.9
180.35741	3.5
181.08717	3.7
184.07359	3.8
191.14383	2.8
195.10155	5.8
209.11772	8.5
221.11710	4.0
223.13318	12.7
223.45888	3.1
237.14897	8.9
249.14984	6.7
251.16470	7.0
263.16678	3.6
265.17957	6.6
277.18024	8.5
279.19501	7.4
281.28345	3.5
291.19586	5.3
293.20984	3.7
305.21130	5.5
307.22626	5.5
319.22772	7.3
333.24289	5.6
341.16403	3.3
347.29477	4.5
389.30585	42.4
407.31607	100.0
425.34390	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	94.5
59.05006	51.7
67.05509	23.5
69.03437	40.4
69.07061	11.4
69.32475	100.0
79.05498	50.3
81.07047	47.8
83.04990	80.5
84.05158	10.8
85.06552	26.8
87.86906	9.9
91.05488	74.1
93.03416	11.6
93.07049	32.9
95.04990	38.9
95.08626	22.8
97.02907	24.0
97.06532	26.2
99.04469	11.1
100.11267	12.1
103.05503	12.5
105.07033	68.2
107.04963	23.6
107.08607	20.6
109.06545	15.3
109.10140	16.4
113.06033	13.3
114.09176	17.7
115.03924	30.1
115.05433	11.8
117.07024	34.1
119.04986	18.2
119.08579	37.5
121.06483	24.6
121.10181	17.6
121.34907	10.3
125.06005	15.9
127.03936	40.4
128.06261	29.6
129.07034	57.9
131.08594	39.9
133.06543	29.3
133.10178	14.3
135.08083	21.9
141.05467	16.6
141.06982	36.0
142.07785	21.9
143.08548	31.0
145.06487	14.4
145.10155	37.2
147.08072	35.8
151.07562	14.8
153.05524	24.0
153.06964	24.9
154.07782	42.1
155.08557	68.8
157.10123	31.1
159.11705	23.6
163.07532	17.7
167.08531	22.9
169.10143	78.3
171.08044	15.7
173.09615	28.6
175.07608	14.1
179.08598	10.5
183.08078	39.9
185.09657	25.6
187.11185	31.1
189.09138	14.1
191.07077	13.4
193.05019	11.5
197.09642	55.5
199.11234	18.2
201.09035	19.5
213.09154	23.7
213.72238	10.2
215.10648	50.4
225.09148	18.8
232.47729	11.6
233.06187	11.2
233.11725	24.3
243.10153	71.2
247.13245	16.0
249.11797	20.3
261.11182	57.4
275.12805	19.4
276.14142	70.0
279.12451	17.7
293.13858	42.3
322.14746	38.6
325.16336	20.3
340.32211	12.8
381.19333	16.5
397.17868	17.1
425.17606	98.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1786
Annotation	GlcNAcbeta1-6GalNAcalpha
Peak:m/z	Relative Intensity
55.05497	0.4
67.05521	0.5
69.88073	0.5
70.02518	2.1
79.05478	1.0
81.03431	0.5
81.07063	3.1
86.09727	0.5
91.05465	0.4
93.07062	0.6
95.08627	0.8
101.00861	0.6
105.07063	0.5
109.02899	0.4
119.08607	0.5
120.09189	0.4
121.10188	0.5
131.08557	0.4
196.35031	0.4
227.05325	0.6
235.11865	0.4
245.06346	0.7
268.10452	0.5
271.04138	0.9
289.05283	2.4
325.02933	0.4
339.17706	1.2
381.18900	8.4
425.17841	100.0
426.18332	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	425.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.6
67.05504	2.0
70.65985	4.6
80.27415	1.7
81.07066	6.7
83.04978	2.3
91.05540	1.6
95.08620	1.9
105.07018	1.6
109.82020	1.5
119.08611	2.0
135.08029	1.8
143.08606	1.8
145.10213	1.6
146.84799	1.5
157.61076	2.0
203.05229	2.1
227.05342	2.2
243.04733	15.7
245.06337	10.0
271.04367	2.6
286.57846	1.6
287.03741	100.0
288.04041	2.2
289.05319	93.3
322.78329	1.6
381.18497	7.6
388.80508	1.6
425.17847	83.9
426.18048	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1741
Annotation	Riccardin B
Peak:m/z	Relative Intensity
55.05504	5.1
55.82160	2.0
67.05499	4.4
69.07062	1.8
70.11214	4.1
70.11608	3.2
71.04973	7.5
79.05495	2.5
81.07044	10.4
83.04948	2.3
91.05482	3.7
93.07040	1.8
94.43046	1.8
95.08578	1.9
97.10168	1.9
98.21412	2.4
102.18228	1.7
105.07048	4.0
107.08563	2.5
116.53799	2.1
119.08563	1.9
127.11185	6.2
128.06184	2.2
135.83788	1.6
140.00566	1.8
146.05948	3.1
147.06854	2.3
164.05151	2.1
174.09038	1.9
178.03242	10.0
179.03993	6.8
180.04785	7.1
189.02473	2.1
192.04776	28.8
203.03954	2.7
204.04755	5.8
206.06355	42.6
216.04633	1.9
216.64671	1.9
217.05534	4.8
218.06389	13.8
219.06960	2.1
220.07837	8.8
230.06346	4.5
231.07076	5.3
232.07857	10.2
234.05801	3.4
234.09445	8.5
243.07100	3.5
244.07771	2.3
245.06412	2.6
248.07417	3.0
256.07874	2.0
271.10321	2.2
276.14120	1.9
284.11090	5.2
286.12582	24.1
289.05304	72.7
304.13675	27.7
305.13840	2.7
318.62509	2.4
332.09384	3.6
332.13156	50.4
350.13934	3.2
361.15851	27.6
389.15244	21.2
407.16379	100.0
408.16473	3.4
425.17633	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	425.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71621	0.9
69.03442	1.2
70.05437	3.6
81.03384	1.0
82.99869	4.6
97.02898	2.0
98.97597	3.6
101.00889	26.0
101.53127	1.0
109.02890	1.2
113.00850	6.4
114.18848	1.0
116.66167	1.1
119.01929	17.1
127.02392	3.5
129.03952	1.1
131.01918	9.8
133.03505	1.6
137.00836	1.2
137.03000	1.8
139.02428	3.3
143.01909	50.9
145.03485	9.3
155.01903	21.9
156.02596	1.4
157.03487	7.2
158.99693	1.7
159.15556	1.0
161.02968	50.1
163.03938	1.6
167.01903	14.2
169.03493	2.8
171.01373	1.2
171.04965	1.9
172.44081	1.0
173.02956	16.4
173.06636	3.2
174.07159	1.0
175.04562	1.6
177.00865	1.3
179.01909	5.3
181.99307	0.9
185.02966	35.0
185.06636	3.0
185.81293	1.1
187.04520	4.1
191.04076	4.1
197.02963	14.1
203.01987	3.8
203.04048	16.6
203.05743	1.4
203.07648	1.2
215.03987	5.3
221.02992	20.8
221.05081	5.5
227.04074	8.4
239.04076	2.9
245.05095	100.0
246.05128	2.0
257.05151	6.6
257.08759	0.9
259.04630	1.5
263.06195	23.9
275.06155	14.7
275.09753	5.7
287.03983	1.1
289.05432	1.2
293.07394	3.0
293.10803	17.6
299.03989	3.0
305.07233	9.3
309.08862	1.5
335.08258	3.0
347.06055	6.4
365.06430	1.8
365.09711	3.0
383.08234	5.5
407.13977	5.1
425.10928	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	425.1573
Annotation	7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
Peak:m/z	Relative Intensity
65.95444	2.8
67.05486	5.0
69.03416	5.7
70.06577	6.5
71.04971	6.8
71.49535	4.6
77.85609	2.5
78.21191	2.9
79.05425	3.4
81.07066	3.9
85.02876	9.1
91.05471	3.2
97.02898	3.3
97.84640	2.7
98.93835	3.0
98.97582	7.1
99.08166	3.0
99.09323	2.7
105.07016	3.6
109.10146	5.0
116.98612	3.9
120.08087	3.9
127.03868	5.1
127.11215	13.7
135.43356	3.1
145.06505	3.1
148.07501	4.9
151.07523	6.1
160.07635	4.7
163.07518	2.8
164.07072	3.0
166.08546	2.9
173.06004	4.1
177.05351	2.9
177.09189	4.1
189.09114	3.5
194.08116	8.6
215.64127	3.0
216.08299	2.6
217.08769	3.3
227.10667	3.6
233.07976	3.5
245.11659	5.3
272.07428	7.0
281.10477	5.7
290.08527	4.3
301.17984	3.1
340.71185	2.7
361.12167	3.9
363.13870	5.9
389.11383	3.5
390.11499	2.8
407.16422	4.8
425.15582	100.0
426.15726	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
82.99425	0.9
82.99876	2.6
86.02347	0.8
94.93034	4.9
95.53229	0.8
101.00889	20.7
110.79771	0.8
113.00870	4.8
117.62789	0.8
119.01925	17.4
127.02419	3.6
131.01930	7.3
133.03468	0.9
137.02936	1.4
139.02364	1.9
143.01909	38.3
144.02065	1.1
145.03485	8.6
147.01321	0.9
155.01895	14.9
156.04242	2.4
157.03488	6.9
157.04654	1.5
161.02966	42.0
167.01909	12.2
169.03510	3.9
171.01396	1.0
171.05023	1.7
173.02965	16.3
175.04536	1.2
179.01904	5.0
185.02965	33.0
186.03091	1.2
187.04535	2.9
191.03978	3.5
197.02995	13.0
203.04010	14.1
203.48740	0.7
208.04530	1.1
209.02957	1.3
215.04005	8.7
221.04974	1.0
226.97179	0.8
227.04037	8.1
230.88638	5.5
232.90321	1.6
233.05128	1.5
239.04041	1.7
245.05090	100.0
246.05307	4.2
257.05164	5.3
263.06128	20.6
275.03424	1.2
275.06158	11.9
293.07184	2.3
305.07156	9.7
331.47388	0.8
335.08163	2.4
347.08917	1.0
365.09406	5.1
421.93167	0.7
425.11508	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.4
55.05509	15.2
56.05043	18.6
60.08150	3.2
64.02831	2.9
67.05513	6.5
67.70885	2.6
69.03432	6.5
71.50277	3.3
74.06087	100.0
77.90693	3.1
79.05495	4.4
79.73149	2.4
81.07050	10.7
83.04996	14.5
85.02892	3.8
85.06561	4.6
86.09740	3.7
91.05489	7.2
93.07057	9.6
95.08612	6.7
96.04502	3.1
97.06553	6.9
99.04469	4.7
104.04977	3.3
104.10729	9.1
105.07021	9.8
107.08624	20.3
107.26588	3.0
109.06515	3.5
111.20700	3.0
117.06944	3.0
119.08585	8.1
120.08119	4.4
121.06559	5.7
121.10145	8.3
123.08111	3.1
127.03889	3.2
135.11702	4.8
145.10144	12.1
149.09634	3.8
151.07585	5.6
163.11137	14.7
167.10759	6.8
169.08617	51.9
169.09930	4.6
173.09558	3.5
181.12276	11.5
184.07413	6.2
185.11778	3.3
191.10681	3.8
209.11722	5.9
227.12808	72.1
240.32791	3.4
324.18134	9.1
345.89819	3.0
424.11151	6.6
424.23401	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	424.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37373	0.6
55.01895	0.8
55.05515	10.8
56.04753	1.3
56.05039	25.8
56.54461	0.7
67.05510	1.6
68.71476	0.7
69.36660	5.2
72.04510	0.9
72.08151	0.8
72.34338	0.6
74.06084	100.0
76.42276	0.7
81.03422	0.9
81.07067	3.4
83.04987	15.4
86.45837	0.8
91.05513	2.4
92.32159	0.7
93.07053	3.0
95.04940	1.0
95.08636	1.7
97.06535	1.5
105.07037	3.3
107.08611	3.2
109.06525	1.2
112.07645	1.0
115.84457	0.7
119.08622	2.7
121.06502	1.1
121.10180	1.0
124.07571	1.6
127.07561	1.5
131.08618	2.2
133.10098	1.1
136.07622	0.8
138.09146	2.1
142.07750	0.8
143.08560	1.3
145.10159	2.4
147.11600	0.8
156.10185	1.5
157.10161	1.0
159.11696	0.9
163.11172	2.0
169.08669	2.4
191.10706	1.4
209.11746	1.2
210.11243	1.5
227.12778	3.8
227.16544	0.9
247.53217	0.7
306.17004	2.4
324.18082	10.7
406.22552	1.0
422.54745	0.8
424.23352	67.1
425.18008	1.7
425.23715	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01870	1.2
55.05512	7.0
57.03442	2.1
57.07076	3.5
64.67062	0.8
67.05508	13.3
69.07078	8.0
71.04991	1.8
71.08643	1.3
79.05499	7.2
81.07060	14.5
83.04987	2.1
83.08612	4.7
85.06546	1.1
87.58765	0.8
91.05504	4.3
93.07054	10.3
95.04966	2.5
95.08613	12.8
97.06520	2.3
97.10161	1.4
97.88205	1.0
99.08103	1.7
105.07047	5.4
107.08598	9.0
109.06525	11.3
109.10155	8.0
111.08117	1.9
117.07008	1.2
119.08575	7.1
121.06513	1.5
121.10149	4.3
123.08076	47.5
123.11701	1.2
131.08575	2.8
133.10153	5.1
135.08063	9.3
135.11710	2.8
137.09618	3.2
142.95511	0.9
144.09425	0.9
145.10132	4.4
147.11670	3.3
149.09645	4.0
149.13278	2.8
151.11148	1.2
157.10187	1.5
159.08104	1.5
159.11728	3.7
161.13235	2.3
173.11705	1.0
173.13246	1.2
175.14787	1.0
177.12773	5.3
179.14328	23.1
191.72902	0.8
193.15947	1.5
205.15915	1.5
233.18936	1.4
247.20644	2.2
263.20032	1.3
275.20099	5.6
303.26770	5.0
331.26321	38.2
332.26791	1.1
349.27359	1.1
367.24945	3.1
401.98062	1.0
405.30325	1.1
423.31128	100.0
424.31433	5.9
439.70865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
55.05270	1.7
55.05518	14.9
57.07080	24.2
64.51993	1.3
66.28897	1.5
67.01868	2.8
67.05499	11.4
68.99799	15.3
69.07079	24.2
71.08279	1.3
71.08631	8.7
75.71670	1.5
79.05500	8.6
81.03472	1.4
81.07069	13.2
83.04979	3.3
83.08629	11.9
85.10164	4.4
91.05489	4.3
93.07048	12.9
93.73177	1.5
95.04978	2.6
95.08603	11.5
97.02860	2.2
97.06558	7.5
97.10171	8.4
98.20764	2.4
105.07052	2.6
107.05001	1.8
107.08603	8.3
109.06505	2.2
109.10159	5.5
111.00816	32.5
111.04448	8.8
111.08098	4.1
111.11723	1.7
121.06516	2.4
121.10170	9.5
123.08083	1.7
123.11732	3.0
125.05981	3.9
125.09637	1.8
127.03936	14.0
131.08572	2.2
133.10133	2.6
135.08109	3.3
135.11723	7.0
139.03911	24.2
139.07538	2.8
139.11223	2.4
145.10101	3.3
149.09651	2.7
149.13280	3.3
153.05469	2.6
153.09122	2.7
159.11717	1.6
163.11148	1.8
167.07059	2.9
167.10748	3.6
181.08592	5.0
181.12144	3.0
187.14842	1.5
195.10173	6.4
195.13849	2.4
209.11742	11.1
209.15376	1.8
223.13301	12.2
237.14856	13.3
237.18416	1.8
251.16502	14.5
265.17993	17.7
279.19580	13.0
293.21143	13.5
307.22656	13.6
321.24368	10.1
335.25964	9.8
344.01355	1.5
349.27545	8.4
363.32782	2.3
405.33722	100.0
406.33771	5.1
441.44971	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01874	2.7
55.05522	9.6
57.03436	3.4
57.07076	4.2
65.03923	1.3
67.05509	24.9
69.03432	2.5
69.07073	13.6
71.04994	4.3
71.08641	2.5
71.51027	2.2
78.26797	1.4
79.05495	16.1
79.44679	1.1
81.03427	2.5
81.07064	32.1
83.05008	1.6
83.08624	8.3
84.42460	1.2
85.06565	1.8
91.05483	10.4
93.07056	18.4
95.05009	3.4
95.08610	25.9
97.02907	6.1
97.06528	2.8
97.10188	2.4
99.04474	4.7
99.08101	1.4
105.07044	11.1
107.08597	17.0
109.06527	16.3
109.10170	17.1
111.08100	3.4
117.07050	4.2
119.08592	10.6
121.06489	2.5
121.10151	10.7
123.08075	47.7
123.11716	2.8
127.03944	3.0
127.11209	2.3
127.96161	1.3
131.08572	4.8
133.10164	7.7
135.08076	9.1
135.11719	5.7
137.09642	3.7
139.74220	1.2
143.08615	2.0
145.10135	5.9
147.11731	5.5
149.02388	1.3
149.09666	3.5
149.13277	3.9
151.11209	1.4
156.09319	1.2
157.10176	1.8
159.11707	5.9
160.46236	1.1
161.05997	1.2
161.13249	2.5
163.11182	2.4
167.14273	1.3
169.10159	1.3
171.11703	1.7
173.05853	1.2
173.11824	2.3
173.13217	3.1
175.14893	3.1
175.32870	1.2
177.12784	2.0
179.14330	45.2
185.13280	1.6
187.14856	1.6
191.17931	1.2
201.16353	2.5
217.06804	1.1
233.19228	1.9
241.15729	1.4
251.59540	1.3
261.22247	2.5
275.20248	4.0
293.21222	3.6
303.26913	3.3
331.22397	2.8
331.26315	33.4
331.30136	2.4
332.26764	2.1
349.27347	9.8
367.25003	1.7
405.30286	2.2
408.29031	1.3
423.31189	100.0
423.36011	5.7
424.31549	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	423.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.7
55.01868	2.9
55.05517	16.2
57.03431	6.6
57.07072	2.8
59.04996	2.8
64.29295	1.7
65.03947	4.8
67.05510	100.0
69.03440	10.4
69.07084	14.7
71.04995	7.6
71.51115	3.1
76.94946	1.7
79.05497	37.4
81.03419	10.2
81.07066	64.1
83.05001	5.2
83.08644	12.2
83.79278	2.1
85.02910	3.9
85.06533	5.6
91.05489	30.0
93.07053	44.8
95.04974	10.1
95.08614	34.4
97.02898	4.6
97.06527	7.7
97.75722	2.0
102.45644	1.9
103.05497	1.8
105.07033	21.2
107.04932	3.3
107.08598	24.3
109.02882	2.6
109.06580	3.9
109.10163	57.9
111.04446	4.1
111.08085	4.8
115.04023	2.1
115.05534	2.2
117.07003	10.4
119.05035	2.0
119.08582	20.2
121.06540	5.1
121.10152	16.9
123.11738	4.4
125.09624	3.2
127.11214	4.7
128.26013	1.7
129.07013	6.2
130.07816	2.0
131.08592	17.7
133.06473	2.4
133.10141	15.5
135.08096	5.0
135.11703	11.6
137.06035	2.4
137.09630	4.3
142.07722	1.7
143.08601	4.8
145.06458	2.3
145.10107	11.3
147.08049	2.9
147.11702	9.6
149.13269	11.5
151.11214	2.7
155.10704	4.3
157.10164	5.1
159.08092	3.2
159.11720	11.7
161.05905	2.3
161.09666	2.6
161.13290	6.3
163.14891	2.3
169.10115	3.2
171.07973	2.6
171.11699	5.3
173.09630	4.2
173.11765	13.5
173.13306	6.1
175.07637	5.3
175.11194	3.8
175.14867	3.4
177.12769	3.4
181.10100	3.3
185.13234	4.1
187.07538	2.4
187.14877	3.1
189.09090	3.9
195.13824	6.1
197.13255	3.6
199.14877	2.3
209.13380	2.3
210.74657	1.9
211.11327	2.0
215.10634	3.0
215.14436	2.7
223.14856	2.7
227.14557	2.5
259.20621	4.4
261.22250	7.2
267.13773	3.1
301.21674	3.8
303.23303	4.0
315.23373	2.3
367.19022	2.0
369.24304	4.6
387.25302	6.5
405.26126	6.5
423.21518	3.3
423.27524	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	423.2357
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
53.94670	0.4
55.05508	0.8
56.50211	0.5
56.66922	0.4
56.89660	0.4
62.52222	0.3
67.05497	1.8
69.07072	0.9
71.10065	0.5
71.10404	0.9
79.05487	0.8
81.03421	0.4
81.07056	1.2
83.04971	0.6
91.05493	1.2
93.07044	1.1
95.08609	1.3
97.06525	0.7
105.07027	1.9
107.08585	0.8
109.10165	1.0
119.08571	2.0
123.08046	0.5
133.10124	0.7
147.11720	0.8
151.07614	0.5
195.11929	0.5
201.03690	1.0
203.05272	7.3
210.52669	0.4
215.61447	0.4
216.04726	0.5
230.07111	0.4
231.10237	1.0
263.84018	0.4
300.97372	0.4
405.24213	0.4
423.23566	100.0
424.23926	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	423.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.6
53.31223	4.8
55.01860	11.9
55.05518	31.0
57.03440	6.8
57.07061	5.3
67.05513	86.7
69.03439	26.4
69.07079	35.5
69.33240	27.8
69.33669	10.9
71.05000	7.8
73.02929	4.8
74.20716	4.6
78.52267	4.3
79.05498	62.1
81.03421	36.1
81.07063	100.0
83.04973	14.2
83.08624	19.0
85.02908	13.0
85.06510	7.0
91.05502	51.6
93.07052	73.7
93.86765	4.7
95.04985	11.5
95.08615	75.5
97.02895	15.5
97.06517	10.1
97.10150	8.1
99.04469	6.1
99.08103	4.7
103.03951	4.9
105.07034	53.5
107.04960	6.1
107.08603	52.6
108.04584	5.3
109.02877	7.0
109.06560	13.4
109.10176	38.0
111.04469	12.9
111.08088	4.9
111.22693	4.6
117.07030	29.5
118.94242	3.9
119.08601	43.5
121.06548	5.1
121.10139	33.7
123.04436	7.6
123.08076	9.1
123.11718	15.7
127.03875	8.9
128.06197	4.0
129.05505	4.7
129.07016	11.4
131.08560	42.1
133.10153	39.5
135.08020	10.0
135.11690	31.6
137.09598	5.4
137.13295	6.5
141.07080	5.1
143.08559	11.4
145.06551	6.2
145.10132	27.5
147.11699	30.3
149.13249	16.0
151.07562	6.1
155.08557	6.1
157.10176	12.3
159.11682	20.7
161.09607	5.7
161.13287	19.2
163.14796	8.6
169.10138	4.8
171.11714	16.1
173.13304	16.2
175.11183	5.4
175.14883	8.2
179.14276	6.1
181.10185	5.8
183.11766	7.2
185.09621	4.9
185.13310	9.6
187.11113	4.8
187.14854	13.0
189.09120	4.8
189.12778	6.2
192.30672	4.5
199.14749	7.2
201.16409	4.5
217.12277	6.4
241.19632	7.4
259.20615	15.5
261.22119	21.8
275.23688	6.5
277.21634	7.2
289.21558	6.4
297.22168	4.7
301.21490	5.8
303.23190	24.6
313.21506	5.5
319.22726	5.7
341.24921	7.3
351.23187	7.1
363.52917	4.6
369.24292	24.4
377.20145	5.6
387.25446	28.2
395.21112	19.7
400.10760	4.4
405.26462	28.1
418.22659	8.6
423.27267	25.6
423.32159	7.0
432.21722	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	423.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22463	2.1
55.01865	2.5
55.05513	5.9
61.02917	2.0
63.69407	2.3
67.05497	6.5
69.03425	15.3
69.07080	11.9
70.65578	5.2
71.04980	3.6
73.58197	2.0
75.90381	2.4
79.05486	9.0
81.03410	10.2
81.06725	2.0
81.07067	19.6
83.04954	2.9
85.02907	15.2
86.09747	2.1
87.00831	9.7
91.05485	13.2
93.07076	11.0
95.04945	5.0
95.08605	11.9
97.02921	12.4
99.04485	5.6
103.05479	6.0
105.07042	27.2
107.04899	2.5
107.08604	14.1
109.02894	5.6
109.06538	4.3
109.10154	8.3
111.04458	3.9
115.03951	3.6
115.05457	2.4
117.07006	7.7
119.08600	60.8
121.06573	3.2
121.10149	8.3
123.08079	3.7
123.11735	2.6
125.05994	3.1
127.03934	14.7
129.07010	3.1
131.04938	3.6
131.08565	7.7
133.06503	4.4
133.10141	66.3
135.08061	3.1
135.11710	8.9
137.05963	10.4
138.06406	2.8
143.08554	4.4
145.10129	12.5
147.08128	2.8
147.11740	16.4
149.05911	2.9
149.09627	3.4
155.08481	2.1
157.10123	4.8
158.10930	2.8
159.11726	6.2
160.12468	4.1
161.05981	5.0
161.09596	3.7
161.13264	3.2
163.07568	2.8
171.11737	3.1
173.09541	2.5
173.13243	11.2
175.07634	14.4
175.14847	100.0
185.13234	5.2
187.14769	7.5
189.09123	2.5
191.14381	2.4
199.07516	4.6
199.14827	3.4
215.10600	2.7
215.14342	3.0
217.15831	2.2
224.07065	2.3
231.04945	4.7
233.85072	2.3
241.09854	3.9
242.10593	4.5
256.11996	3.3
259.07803	3.2
260.60068	2.8
261.11404	2.9
265.15726	2.2
283.10892	3.0
283.16983	4.9
284.11447	3.2
291.10010	3.1
293.10690	3.8
301.11630	4.8
301.18002	7.1
302.12292	3.0
305.33844	2.2
319.19281	3.9
323.12668	2.6
325.13416	3.0
387.17767	3.0
405.19345	11.0
423.20065	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	423.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22463	2.1
55.01865	2.5
55.05513	5.9
61.02917	2.0
63.69407	2.3
67.05497	6.5
69.03425	15.3
69.07080	11.9
70.65578	5.2
71.04980	3.6
73.58197	2.0
75.90381	2.4
79.05486	9.0
81.03410	10.2
81.06725	2.0
81.07067	19.6
83.04954	2.9
85.02907	15.2
86.09747	2.1
87.00831	9.7
91.05485	13.2
93.07076	11.0
95.04945	5.0
95.08605	11.9
97.02921	12.4
99.04485	5.6
103.05479	6.0
105.07042	27.2
107.04899	2.5
107.08604	14.1
109.02894	5.6
109.06538	4.3
109.10154	8.3
111.04458	3.9
115.03951	3.6
115.05457	2.4
117.07006	7.7
119.08600	60.8
121.06573	3.2
121.10149	8.3
123.08079	3.7
123.11735	2.6
125.05994	3.1
127.03934	14.7
129.07010	3.1
131.04938	3.6
131.08565	7.7
133.06503	4.4
133.10141	66.3
135.08061	3.1
135.11710	8.9
137.05963	10.4
138.06406	2.8
143.08554	4.4
145.10129	12.5
147.08128	2.8
147.11740	16.4
149.05911	2.9
149.09627	3.4
155.08481	2.1
157.10123	4.8
158.10930	2.8
159.11726	6.2
160.12468	4.1
161.05981	5.0
161.09596	3.7
161.13264	3.2
163.07568	2.8
171.11737	3.1
173.09541	2.5
173.13243	11.2
175.07634	14.4
175.14847	100.0
185.13234	5.2
187.14769	7.5
189.09123	2.5
191.14381	2.4
199.07516	4.6
199.14827	3.4
215.10600	2.7
215.14342	3.0
217.15831	2.2
224.07065	2.3
231.04945	4.7
233.85072	2.3
241.09854	3.9
242.10593	4.5
256.11996	3.3
259.07803	3.2
260.60068	2.8
261.11404	2.9
265.15726	2.2
283.10892	3.0
283.16983	4.9
284.11447	3.2
291.10010	3.1
293.10690	3.8
301.11630	4.8
301.18002	7.1
302.12292	3.0
305.33844	2.2
319.19281	3.9
323.12668	2.6
325.13416	3.0
387.17767	3.0
405.19345	11.0
423.20065	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	423.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.2
55.44200	1.1
55.75232	1.3
62.06937	1.2
67.05520	1.8
71.07091	1.1
71.08886	2.4
72.00395	1.2
75.05154	1.2
79.05479	1.5
79.14133	1.2
80.53291	1.2
82.83548	1.1
83.05041	1.5
89.79881	1.1
91.05485	4.6
93.07058	18.2
95.04942	1.4
95.08569	1.4
105.07032	2.8
107.08601	7.8
109.06570	1.4
111.04462	1.2
113.71405	1.2
135.11729	1.5
153.55980	1.3
167.06599	1.3
175.07622	2.2
187.61494	1.3
203.05225	1.6
227.05341	1.9
228.43774	1.3
237.97223	1.2
245.06329	10.5
287.03809	5.8
289.05325	100.0
296.46613	1.2
357.86734	1.5
379.17535	6.8
423.16263	94.2
424.16574	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30879	3.6
55.05516	37.1
59.04988	7.8
62.34296	3.4
63.95445	3.7
66.14668	3.8
67.05508	5.2
69.03416	5.1
69.07099	4.5
71.07461	8.7
71.07830	5.4
79.05481	11.0
81.03403	3.6
81.07069	7.8
83.04990	40.6
85.02889	5.1
85.06528	5.8
89.61027	3.6
91.05484	17.2
93.07032	12.3
95.04948	5.8
95.08598	6.3
97.06550	5.4
99.04417	5.0
103.05452	4.4
105.07027	13.9
107.08620	8.8
109.06510	4.4
111.04462	7.1
115.05457	7.1
117.06995	21.1
119.08569	6.7
128.06232	9.3
129.07034	8.5
131.08549	5.3
133.10104	4.8
135.08076	13.5
141.06987	9.3
142.07785	13.4
143.08542	11.4
145.06432	8.3
145.10132	6.3
152.06204	6.1
155.08549	8.0
157.10152	9.8
159.07980	9.2
163.07729	4.7
165.07028	5.8
167.08572	14.2
169.06444	5.8
171.08049	12.5
173.09679	9.8
175.07549	4.2
177.09023	4.9
185.09584	18.5
189.09099	4.5
195.08098	12.3
199.07544	5.6
201.09100	5.7
203.05350	4.2
203.10669	5.1
211.07701	4.2
213.09093	22.8
215.10643	7.1
223.07646	5.8
225.76030	4.3
227.10771	4.9
231.10184	9.6
241.08517	12.6
245.06310	5.4
245.11758	5.6
247.13028	28.5
259.09784	5.9
273.11359	9.6
287.03510	4.7
289.05310	83.4
291.12332	7.6
317.17331	6.3
321.12546	5.1
333.16647	11.7
361.16159	19.2
379.17279	100.0
394.70050	4.2
405.14877	10.8
423.16049	73.5
423.20438	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	422.1424
Annotation	909910-43-6
Peak:m/z	Relative Intensity
56.69475	1.2
56.72251	1.2
58.12388	1.0
71.50739	1.8
72.08154	1.4
153.02315	1.3
197.38127	1.4
260.08972	20.7
270.38763	1.0
422.14233	100.0
423.14505	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	422.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99575	15.2
69.03438	12.0
70.06601	11.2
71.49873	12.6
76.02233	84.5
76.04024	10.3
79.30860	8.0
84.04517	38.1
84.08173	15.4
85.02892	16.5
85.04007	9.7
97.06528	96.9
98.97603	15.7
103.75664	8.3
116.01688	24.4
120.08141	11.2
130.05014	25.9
144.01172	11.3
154.06847	11.8
162.02159	41.4
177.03340	11.4
179.04889	100.0
220.56433	8.3
233.05968	18.1
270.91290	9.2
308.09073	40.8
340.00677	10.7
422.13602	9.1
436.36038	7.9
436.42331	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	422.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26247	0.5
51.69296	0.5
55.05529	0.6
56.05044	2.8
67.05495	0.6
69.03419	0.7
69.29005	5.1
72.04886	0.6
74.06084	8.7
79.05492	0.7
83.04994	0.7
86.09712	100.0
87.10017	0.7
91.05495	0.9
93.07042	0.6
97.06536	0.7
98.06062	1.0
99.05597	0.8
103.05478	0.5
105.07058	1.1
113.34436	0.6
116.07108	1.6
120.08122	12.1
126.05511	7.1
139.12308	0.6
144.06601	0.9
161.39352	0.5
166.08675	5.8
168.79369	0.5
172.19353	0.6
195.11292	3.7
211.14328	1.2
239.13908	12.3
279.17014	8.4
360.19177	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05483	0.8
69.07067	0.8
71.50127	1.3
73.37184	0.6
79.05486	1.0
88.85298	0.7
91.05492	5.5
93.06494	1.2
93.07051	20.8
95.04974	1.5
105.06992	1.0
107.08601	7.0
119.08608	0.8
127.00007	1.1
135.11696	1.0
161.09421	0.7
167.03113	0.8
175.07558	1.1
185.04279	0.9
190.00356	0.7
203.05276	2.5
215.43423	0.7
227.05266	2.1
243.04927	1.1
245.06335	10.2
250.01978	0.9
287.03790	5.0
289.05316	100.0
290.05582	2.2
379.17294	7.4
399.25131	0.9
423.16272	84.3
424.16632	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	421.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81919	0.5
53.03937	2.2
55.01869	1.2
55.05501	2.8
57.03438	1.3
57.07062	0.6
65.03930	0.7
67.05502	3.1
68.99783	1.1
69.03433	6.2
69.07062	2.0
69.62400	2.3
69.62811	1.1
79.05499	6.6
81.03413	3.7
81.07066	5.6
83.04990	3.9
85.01127	0.7
85.02895	1.6
87.00832	2.0
89.98074	0.5
90.78560	0.5
91.05476	9.0
93.07049	4.6
94.07289	0.6
95.04959	2.0
95.08598	2.1
97.02886	2.1
97.06516	1.0
103.05476	0.9
105.06397	0.9
105.07043	10.2
107.04950	4.7
107.08605	20.2
109.02879	3.9
109.06503	1.9
109.10171	6.2
115.05491	2.9
117.07009	2.6
118.07869	0.7
119.06078	0.8
119.08611	4.6
121.06506	2.6
121.10155	11.2
122.07284	6.9
123.08048	0.8
127.03928	14.2
129.06964	0.6
131.08597	3.4
133.10138	100.0
134.10492	1.6
135.08060	9.3
135.11624	1.1
135.16335	0.5
137.06018	4.1
137.09622	56.1
138.10004	1.0
143.08586	1.5
145.04918	0.8
145.10165	1.9
147.11742	2.2
148.07562	0.7
149.09592	3.9
149.13258	8.5
151.07704	0.7
157.10168	0.7
158.10942	1.7
159.08049	0.7
161.05928	3.0
161.09605	0.7
163.14830	1.8
171.08026	1.2
173.13298	5.1
191.14313	42.2
192.14699	0.8
199.07552	1.7
201.12802	0.8
203.08505	0.9
213.03926	3.7
225.15953	0.7
231.05042	1.8
231.08083	1.6
251.26886	0.8
260.08258	0.8
291.10123	4.3
300.10471	0.8
317.17599	1.1
318.11609	5.6
323.12817	0.9
335.18500	1.2
339.11670	0.6
397.54016	0.6
403.17465	1.7
421.14209	5.7
421.23975	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	421.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.5
55.01868	14.1
55.05512	4.8
57.03433	8.3
61.02924	7.2
67.05491	10.0
68.62563	3.2
68.99798	15.0
69.03426	18.8
69.07072	5.5
69.60084	21.2
70.06612	3.5
72.08154	3.7
73.02912	4.3
79.05480	9.2
81.03423	24.8
81.07055	8.6
83.04985	10.5
85.02909	43.8
85.06557	7.6
87.00825	17.7
91.05479	12.7
93.07039	6.9
95.04968	9.7
95.08622	6.9
97.02905	30.5
97.06528	6.7
98.20782	6.1
103.03923	15.2
103.05463	6.4
105.07034	19.4
107.04967	5.6
107.08588	11.1
109.02890	53.8
109.06549	7.4
111.04462	19.3
115.05417	3.7
117.07008	6.3
119.04898	5.0
119.08583	6.3
120.08109	4.8
121.06499	13.6
121.10180	4.9
123.04401	6.8
125.06083	2.9
127.03939	9.8
128.06210	6.0
129.01865	10.9
129.06998	5.4
131.04919	5.2
131.08575	11.1
133.06505	10.9
133.10139	9.0
135.08087	4.7
137.05969	30.1
141.06976	3.8
142.07785	8.7
143.08545	15.8
145.06508	11.4
145.10216	6.3
147.02887	6.6
147.08064	5.8
149.05975	6.1
149.09628	5.6
149.13246	5.1
151.07541	15.3
151.11215	5.7
155.08640	4.9
157.06456	4.3
157.10109	6.0
159.02881	4.6
159.08054	15.3
159.11699	3.9
161.05975	21.6
161.09636	10.0
163.07552	8.7
169.06502	4.4
169.10164	9.0
171.08067	8.4
172.08850	5.3
173.06030	6.6
173.09657	7.0
174.06767	29.5
175.07567	25.8
175.11201	6.0
176.08383	4.7
177.05559	3.3
177.09102	19.5
179.08542	4.1
181.06509	5.6
183.08128	5.1
185.05927	3.9
185.09601	7.6
186.06763	5.3
187.07579	23.5
187.11208	14.0
188.08311	14.7
189.03920	9.8
189.05428	4.1
189.09116	69.5
191.06975	4.1
191.10765	16.2
191.14252	5.6
193.10147	4.7
195.08130	3.8
196.08910	4.6
197.09656	5.8
199.07530	18.2
199.11258	6.6
200.08319	11.9
201.09137	26.1
201.12724	5.8
203.06976	6.7
203.08797	2.7
203.10669	75.0
204.07776	3.9
205.08597	8.0
209.09671	6.1
211.07613	7.6
211.11215	9.8
212.08371	13.1
213.09041	14.7
214.09875	8.5
215.07143	7.5
215.10681	100.0
217.08623	12.9
220.08876	6.0
224.08342	9.7
225.09134	12.5
225.12788	4.2
227.10657	27.9
229.08588	8.8
229.12209	37.7
231.10207	8.2
235.11339	3.5
237.09114	3.9
238.09869	12.1
239.07063	4.7
239.10640	11.2
243.10175	15.1
245.11877	16.6
245.14098	3.2
248.08357	6.5
249.08998	3.9
253.12231	28.9
255.10117	8.6
257.11719	50.2
259.07407	5.2
263.10696	5.1
266.09436	6.8
269.11887	3.8
271.13446	15.8
275.12894	4.7
277.86771	3.3
281.08884	6.3
281.11743	81.4
291.10150	12.6
299.12836	69.7
317.13794	27.5
319.84811	4.1
323.12799	12.8
325.08350	4.8
385.12836	10.1
403.14151	16.8
421.09900	5.9
421.14600	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	421.095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.05488	1.4
56.65276	0.8
56.89943	0.9
69.03439	1.1
69.77823	0.9
70.06588	1.3
71.04987	0.9
71.51147	1.7
76.25429	0.9
79.05493	5.4
81.03409	1.2
81.07059	3.5
85.02879	0.9
86.09721	1.5
87.47424	0.8
88.68673	0.9
91.05504	7.1
93.07040	1.3
94.04183	4.0
95.04965	2.2
97.02940	1.0
97.06548	1.9
103.05489	7.0
105.07032	25.8
107.04948	2.4
107.08590	1.5
109.06495	2.5
115.05475	9.0
117.07039	1.7
118.04153	3.9
119.04939	1.9
119.08577	1.6
120.08119	1.1
121.06503	1.6
121.10108	1.4
122.03657	7.5
125.00069	1.1
128.06215	5.2
129.07030	1.4
131.04916	5.2
132.05728	1.1
133.06500	16.2
137.05981	81.5
141.07004	1.9
143.04918	1.8
143.06000	1.7
145.06523	0.9
145.10164	1.0
146.03638	6.4
147.04431	2.7
147.08025	1.6
148.05254	1.7
149.05923	1.0
151.03954	1.3
151.07523	3.5
152.06223	1.0
155.04979	1.0
156.05690	2.3
157.06349	0.9
157.10069	1.0
159.07999	1.4
159.11841	1.0
161.05988	63.4
163.07515	2.6
165.07007	1.4
167.04845	1.2
168.05705	1.4
171.08063	2.1
175.07539	3.5
184.05197	5.0
184.07336	4.3
187.07571	1.0
191.08588	3.5
192.09361	2.1
193.10069	1.1
199.07544	32.2
199.09406	1.6
202.07784	19.1
203.08559	25.5
204.09196	2.1
205.06480	2.7
206.07185	1.4
213.07039	1.2
215.08542	1.5
218.07373	1.2
219.08014	10.3
220.02409	1.0
220.08861	7.8
220.84627	0.9
223.07330	0.9
230.07245	3.4
231.08060	42.8
232.08823	7.8
233.06039	0.9
235.07576	1.6
235.11200	2.9
247.07625	7.3
248.08350	20.8
249.09070	1.9
251.10760	1.0
258.06723	3.4
259.07547	30.0
260.08316	19.2
261.08917	2.3
262.09784	2.0
263.10678	17.8
265.08691	2.3
273.08890	1.5
275.07037	2.5
276.07874	12.3
277.08633	4.8
291.10159	100.0
292.10760	6.5
293.08026	2.6
295.13373	3.0
308.10492	3.5
323.12808	35.2
421.16159	1.1
432.03714	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.3
65.26600	2.3
69.07084	3.8
74.99847	2.1
79.05515	7.0
81.03439	2.6
81.07079	5.4
90.82903	2.5
91.05502	7.1
93.07072	4.7
94.04226	3.3
95.05015	4.0
95.08633	3.7
97.02895	3.0
103.05485	6.0
105.07035	24.5
109.10143	3.2
115.05419	4.8
119.04982	2.5
119.08575	3.6
122.03698	7.0
123.34035	2.4
128.06273	6.4
131.04953	6.9
133.06496	15.1
137.05992	74.8
143.05042	2.9
145.10063	3.6
146.03691	9.1
147.04480	3.2
159.08144	2.5
161.05986	65.1
161.07280	4.1
163.07597	2.9
171.08086	5.0
175.07655	3.3
184.05295	4.0
187.07715	2.8
191.08598	4.2
192.09207	2.9
199.07562	33.1
202.07838	17.5
203.08578	29.1
203.64738	2.6
205.06653	3.2
219.08131	9.4
220.08931	8.6
231.08047	36.1
231.10220	2.9
232.08865	7.3
235.11348	2.8
247.07640	7.8
248.08366	20.9
257.53809	2.5
259.07553	32.4
260.08334	18.3
262.09882	3.4
263.10730	17.2
265.08667	2.4
275.07205	4.9
276.07874	14.7
277.08618	4.2
291.10165	100.0
292.10965	6.9
293.08029	3.2
295.13278	4.2
308.10544	6.4
315.82098	2.5
323.12851	38.3
421.16135	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	420.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33562	0.9
55.05502	3.2
57.03427	1.8
57.17436	1.0
58.06609	4.8
58.06845	1.0
60.04528	10.6
67.05518	9.0
69.03423	1.3
69.07076	8.7
70.23230	0.8
71.05006	5.8
71.50125	1.3
71.78525	0.9
73.22132	1.1
73.82569	1.4
74.37293	0.9
79.05496	3.1
81.07076	5.2
83.04993	1.0
83.08601	2.4
84.08157	7.1
91.05479	2.9
93.07057	2.7
95.05000	1.5
97.78670	0.9
98.09696	2.6
105.07030	4.6
107.08608	5.3
109.06534	1.8
109.10159	13.4
113.05991	2.9
119.04938	2.1
119.08572	2.0
121.06498	2.7
121.10184	2.2
124.11197	1.4
127.11178	1.7
129.07039	1.4
133.10144	2.5
135.08051	4.1
137.05974	1.2
142.07808	1.2
143.08592	3.0
145.06500	1.3
145.10141	1.5
147.04315	1.4
147.05753	0.9
147.08057	2.5
147.11742	1.2
149.05954	1.7
149.09656	1.2
155.08572	1.2
157.10120	3.2
159.08076	2.6
161.05977	3.2
161.09624	4.3
162.06796	1.1
163.07532	6.2
165.07040	2.0
168.09435	1.2
169.10146	1.5
171.08072	2.8
171.11688	1.3
172.08823	1.8
173.09644	4.4
174.06761	2.3
175.07570	8.2
175.11220	1.8
176.08345	2.4
177.09135	4.5
183.08096	1.3
185.09685	5.1
186.06799	1.0
187.07570	5.9
187.11142	2.6
188.08316	3.5
189.09081	11.0
191.06967	1.2
191.10667	3.9
195.11662	1.7
197.09666	1.3
198.06824	1.4
198.10396	1.6
199.07582	1.7
199.11212	4.4
200.08371	1.3
201.09106	9.4
201.12714	2.4
203.10698	7.5
209.09679	1.7
209.13293	1.3
211.11215	2.5
212.08266	1.4
213.00992	1.0
213.09137	8.2
213.12729	5.3
214.09897	2.7
215.10704	9.7
217.12251	4.6
219.10187	2.6
223.11255	2.2
225.09108	2.2
225.12727	1.7
226.09790	1.8
227.10675	11.9
227.14188	1.6
228.11580	4.8
229.12257	10.4
230.12996	4.2
231.10287	2.2
231.13850	2.0
233.11754	1.8
237.12788	1.3
239.10732	2.6
239.14415	1.9
241.12253	13.9
242.12985	1.1
243.10237	2.0
243.13838	2.2
245.11748	4.2
249.11186	1.8
251.14371	1.3
253.12143	1.7
254.13098	1.6
255.13716	3.3
255.17517	1.9
257.15463	2.0
259.09619	2.0
261.11230	6.9
263.12799	6.4
267.13901	2.1
267.76294	1.3
268.14606	1.1
269.11758	2.2
271.13300	2.8
275.12830	3.9
279.12308	4.4
281.15295	1.5
283.13403	3.1
283.16940	13.5
287.12778	5.2
288.13715	1.2
289.14288	2.2
297.18573	3.0
301.14389	3.4
301.18030	6.4
305.14194	1.1
315.19473	1.7
325.18109	5.4
343.19067	28.1
344.19138	1.2
358.23758	2.5
360.21707	1.7
361.20166	12.7
378.22592	2.0
420.23825	100.0
421.24274	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29250	1.2
55.05514	2.6
57.03433	1.8
58.06596	3.1
60.04537	9.6
67.05499	5.1
67.28928	1.1
69.07080	8.9
70.31855	4.1
71.04998	5.3
72.79949	1.1
79.05497	4.1
81.07050	4.5
83.05007	1.5
83.08646	1.5
84.08138	5.0
91.05489	3.2
93.07037	2.7
95.04945	1.6
98.09693	3.7
107.04949	1.3
107.08618	6.1
109.10163	11.2
113.06027	3.2
119.04919	2.0
119.08604	1.6
121.06503	2.1
127.11198	1.6
128.06239	1.6
135.04449	1.0
135.08073	4.0
137.06023	1.7
142.07927	1.4
143.08559	3.3
145.10100	2.9
149.09610	1.6
153.01631	1.2
157.10132	2.0
158.07260	1.5
159.08041	3.7
161.05984	3.7
161.09642	4.0
163.07613	6.5
169.10081	3.4
171.08080	2.2
171.11743	2.3
172.08841	1.7
173.06012	1.8
173.09613	4.1
175.07509	5.8
175.11261	2.4
177.09142	3.8
181.10184	2.1
185.09592	3.4
185.13205	1.4
187.07553	4.3
187.11153	2.5
188.08357	2.6
189.09137	8.7
189.12849	1.5
191.07065	1.9
191.10707	2.9
194.10921	1.8
195.11674	2.8
197.09938	1.3
199.07487	2.0
199.11256	3.2
201.09125	6.6
203.10732	7.5
209.13408	1.3
211.11105	2.5
212.08295	1.5
213.09212	7.2
213.12766	4.7
214.09874	2.1
215.10640	10.5
217.12320	4.3
219.10225	5.2
223.11273	3.3
226.09926	2.0
227.10707	10.5
227.14355	2.6
228.11465	4.7
229.12321	11.5
230.13075	3.5
231.10217	2.6
231.13774	1.7
233.11658	1.6
237.12808	1.6
239.10609	2.2
241.12245	11.6
243.13867	2.9
245.11766	4.5
249.11136	2.1
255.13800	4.8
255.17473	2.3
257.11893	2.4
259.09790	2.0
259.13263	1.9
261.11230	5.4
263.12827	4.1
265.15765	1.4
269.11792	2.0
271.13272	1.6
273.18631	1.4
275.12961	1.7
279.12314	7.1
281.15543	2.1
283.13425	3.9
283.16974	16.6
287.12802	8.5
297.18576	3.7
301.14648	2.2
301.17944	6.2
304.71265	1.4
305.13959	2.1
319.15479	2.0
325.17984	3.7
342.20551	1.5
343.19095	26.3
344.19260	1.6
360.21747	2.9
361.20129	10.0
378.22833	2.9
402.22702	2.9
420.23831	100.0
421.24295	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	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	1.9
68.28857	1.8
69.03423	2.1
70.49033	1.8
70.49371	4.7
70.99323	1.5
79.05481	4.4
81.07060	100.0
85.02894	5.4
87.00816	3.2
87.66521	1.8
95.08593	6.0
97.02859	2.9
98.06073	2.9
98.20700	1.9
105.01860	7.4
109.02890	2.5
120.83450	1.6
127.03893	5.5
137.13271	26.8
145.04936	5.9
231.04936	1.9
234.31595	1.9
243.21368	2.3
248.07843	1.8
249.06044	1.7
420.23593	10.2
420.27518	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	420.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	6.2
67.05500	7.1
69.03424	18.5
69.65458	18.3
69.65870	14.5
70.06578	19.8
71.04991	13.0
72.08137	7.2
73.02890	6.9
78.66954	5.8
79.05482	17.2
81.03426	10.6
81.07062	13.4
83.04990	8.9
84.08126	7.6
85.02914	45.0
86.09693	10.2
91.05480	22.1
93.07045	20.8
95.04977	7.4
95.08633	9.4
97.02882	13.2
97.06532	24.2
98.20759	8.4
99.04482	26.6
105.07029	37.9
107.08604	100.0
107.45189	5.7
109.06552	10.2
115.08636	6.5
117.07018	10.7
119.08589	12.3
120.08109	14.4
121.06487	12.6
121.10141	12.9
123.08120	5.4
127.03935	8.6
127.07542	9.5
129.06897	6.6
131.08575	12.4
133.10138	19.5
135.11732	6.9
136.06198	5.6
136.78531	6.0
137.05989	12.3
143.08546	8.7
145.04994	16.1
145.10129	42.9
147.08266	5.2
147.11699	9.1
149.13223	5.3
154.08568	6.6
155.06963	6.4
157.10173	9.0
159.11720	78.1
161.05875	5.6
163.11163	21.8
167.10672	9.3
169.13071	5.2
175.11227	18.3
177.12843	26.7
187.11177	62.0
189.34286	5.2
193.12213	17.8
203.42381	5.1
205.12296	62.4
218.08035	6.4
223.13278	56.5
241.07289	9.3
241.14276	34.7
246.07735	8.7
252.86557	7.4
288.05807	6.6
358.09021	7.0
398.48761	6.1
421.21997	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	420.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01884	1.8
55.05517	0.9
57.03449	0.9
57.07090	1.3
61.02932	0.8
61.28906	0.6
66.48469	0.5
66.82331	0.6
67.05515	2.8
69.03438	5.3
69.07072	1.0
70.06033	2.2
71.04974	0.9
73.02931	1.2
73.67715	0.6
79.05505	8.8
81.03429	3.9
81.07063	100.0
81.22683	0.6
82.07400	0.9
85.02910	15.6
87.00833	6.7
93.07047	1.3
95.04980	0.8
95.08611	13.2
97.02904	6.1
99.04469	2.3
105.01875	8.6
108.04494	0.7
109.02866	4.0
109.10144	1.6
111.11672	0.7
125.49690	0.7
127.03934	12.3
137.13261	21.2
145.04964	5.5
155.14305	1.5
159.02890	2.2
213.03970	0.7
231.05061	2.8
303.28073	0.6
420.23651	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01865	0.7
55.05511	1.7
57.03443	0.6
57.07074	1.7
61.02928	1.0
67.05517	5.3
68.99808	0.7
69.03436	4.2
69.07080	5.0
69.18087	5.6
73.02909	1.1
78.15105	0.5
79.05497	7.8
80.29423	0.5
81.03419	2.3
81.07062	100.0
82.07393	0.9
83.24396	0.5
85.02907	10.2
87.00831	4.7
93.07044	1.4
94.94172	0.5
95.08615	21.7
97.02888	5.8
98.20718	1.0
99.04462	1.8
103.06986	0.5
105.01868	6.6
107.08600	0.7
109.02848	3.0
109.10123	1.2
127.03921	8.2
137.13268	17.5
145.04985	6.2
159.02858	1.2
203.02589	0.6
203.55792	0.6
231.04947	2.8
249.06190	1.1
348.16690	0.5
441.70978	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.2
55.05511	11.4
62.30279	3.7
67.05522	4.4
69.03429	17.5
69.07095	4.5
70.74552	8.6
71.37082	3.4
79.05497	5.2
81.07076	10.6
83.04990	25.9
84.27831	3.5
84.66843	3.4
85.02908	29.2
88.72645	3.6
89.91840	3.4
91.05495	7.0
93.07055	11.8
95.04985	4.8
95.08617	16.5
97.06538	12.9
99.08106	9.3
105.07019	8.9
107.08598	9.7
109.02870	6.2
109.06554	5.6
109.10178	6.1
113.06060	4.6
119.08607	18.7
121.10129	9.5
123.08081	25.0
125.05981	10.6
129.05511	7.9
133.10158	4.4
135.08057	9.0
137.05980	5.3
137.09613	20.3
143.07063	13.3
145.10143	6.9
147.08086	12.3
155.07094	4.9
159.11710	25.7
161.09642	4.0
163.11182	35.7
165.09123	37.1
177.12755	14.0
187.11163	7.3
193.72588	3.8
205.12253	69.5
223.13281	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01862	2.5
61.02913	1.6
67.05496	1.6
69.03430	8.7
70.63100	1.4
70.63441	2.6
73.02915	2.2
79.05516	5.5
81.03421	7.0
81.07063	100.0
82.07361	1.2
83.14236	1.0
85.02910	28.2
87.00833	15.6
89.37591	1.0
93.07011	1.9
95.08611	10.1
97.02912	8.5
99.04444	3.7
105.01868	33.4
109.02900	7.5
114.72829	1.1
123.18559	1.0
127.03929	19.3
130.47296	1.0
137.13268	60.6
145.04961	10.9
159.02866	5.3
164.09489	1.2
231.04988	7.2
249.06085	5.7
267.67499	1.3
309.18100	1.4
362.81161	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
53.75998	1.0
57.07050	1.1
57.56528	1.0
67.05491	3.5
68.65858	1.0
69.03424	3.8
69.07067	2.9
70.02353	4.8
72.75520	1.0
75.66836	1.1
79.05497	7.5
81.03421	3.0
81.07056	100.0
85.02915	8.7
87.00827	4.4
93.07028	1.9
95.08066	1.3
95.08613	15.4
97.02914	6.0
99.04469	1.7
105.01854	7.1
109.02885	2.4
109.10184	1.2
127.03927	7.8
137.13263	19.1
145.04942	6.5
159.03030	1.9
209.73586	1.1
231.04936	1.4
338.39087	1.3
420.23465	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	419.2199
Annotation	Isovouacapenol D
Peak:m/z	Relative Intensity
51.21552	7.3
54.78242	8.3
56.96571	53.8
71.31432	18.7
71.52119	7.7
110.06690	9.1
124.00967	8.6
128.42126	8.3
143.09918	7.3
159.03267	8.6
170.83478	8.6
193.01775	8.3
303.14139	9.9
341.17892	44.8
341.38513	9.2
359.19025	47.9
419.21899	100.0
424.08621	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	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42048	2.9
51.67671	3.1
54.18578	3.0
55.01870	4.3
55.05520	20.3
57.03436	4.0
60.08164	3.7
67.05506	5.9
69.03432	24.4
70.06570	5.5
70.74192	7.7
70.74538	3.5
72.08147	6.5
79.05504	8.4
81.07054	11.1
83.04987	25.1
84.08129	6.3
85.02914	35.2
89.03917	5.1
91.05472	8.4
93.07043	13.6
95.04969	7.0
95.08599	15.9
97.02871	4.8
97.06528	16.5
99.04453	8.0
99.08076	10.4
105.07055	6.8
107.08591	9.0
108.04108	3.1
108.46757	3.6
108.85854	3.4
109.02891	5.0
109.06554	7.0
109.10159	9.3
110.07183	3.8
113.05994	3.8
117.07076	4.5
119.08580	23.4
121.06495	6.5
121.10136	11.9
123.08082	28.0
125.06006	11.3
127.07563	4.7
129.05460	7.4
131.08615	4.4
135.08041	9.0
135.11697	7.6
137.06007	11.1
137.09619	23.4
143.07028	14.3
145.03056	3.2
145.10075	7.5
147.08122	17.1
159.11714	30.9
161.09715	3.8
163.03912	15.5
163.11185	45.4
165.09126	41.8
167.07173	4.0
177.12744	18.6
187.11198	12.0
205.12274	77.9
223.13312	100.0
234.98837	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	419.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	14.9
55.01868	19.6
55.05508	18.8
57.03430	24.2
57.07083	63.2
60.04509	9.4
61.02915	8.6
67.05506	15.6
69.03429	47.6
69.07072	28.2
70.06588	20.1
70.10163	26.4
71.04990	25.1
72.08140	8.0
73.02895	10.6
79.05491	19.6
81.03430	40.8
81.07059	64.7
83.04964	16.9
83.08633	7.8
84.04512	9.0
85.02915	100.0
85.06545	26.1
86.09724	39.4
87.00829	37.7
91.05478	15.2
93.07043	13.9
95.04970	18.8
95.08624	20.4
97.02886	58.7
97.06556	18.5
99.04480	19.3
99.08115	41.3
105.01874	22.2
105.07040	15.3
107.08586	20.9
109.02898	34.8
109.06540	10.6
109.10168	30.4
119.08585	8.7
121.06527	11.4
123.11674	8.7
127.03930	55.0
127.11191	27.0
129.07010	8.6
135.08054	11.0
135.11708	16.7
137.06003	15.8
141.12714	17.2
145.04959	38.7
147.02858	6.5
151.11221	7.9
153.12769	65.8
155.14325	68.0
159.02928	21.9
169.10100	9.3
171.13864	38.6
173.12856	13.8
177.12886	11.2
193.12206	6.9
195.13835	9.5
215.10820	8.4
231.05035	9.7
235.13449	9.7
274.29504	6.7
335.48672	6.8
359.18231	6.3
419.14395	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	419.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25228	1.1
53.03934	1.4
55.01865	1.4
56.25984	1.3
57.03435	4.0
58.75046	1.1
60.04536	1.3
69.03439	1.8
69.07081	1.5
69.60455	8.1
70.06596	3.0
72.08155	3.0
75.04521	2.6
79.05493	3.9
81.07072	1.5
84.08160	1.3
85.02911	4.2
86.09705	7.5
91.05473	1.4
92.54330	1.2
93.07053	1.5
94.04183	1.6
95.04985	1.8
97.02930	2.3
102.05548	1.3
103.05508	1.8
105.07034	26.6
107.04956	3.1
109.06576	1.4
120.08152	1.5
122.03598	2.4
123.78255	1.4
124.05236	1.3
127.03965	1.6
133.06506	53.6
135.04460	1.6
137.05986	100.0
149.41309	1.3
151.07498	1.4
154.19115	1.4
163.07498	2.8
165.09132	28.1
175.07515	4.7
177.09195	1.7
181.08597	3.2
183.10164	21.4
203.10637	1.4
210.40442	1.3
219.13477	1.4
221.11717	4.8
239.12909	3.1
257.13852	21.0
261.63553	1.4
287.05499	13.9
322.85617	1.2
368.83652	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.1
55.01886	16.4
55.05523	19.0
56.75240	10.5
57.03445	13.9
57.07079	60.5
58.37632	10.9
59.92251	11.2
65.61723	10.8
67.05504	29.9
69.03429	35.5
69.07083	15.9
69.44196	79.2
69.72992	10.1
70.06561	16.5
73.02926	14.2
79.05476	21.6
81.03437	35.2
81.07063	100.0
83.04992	25.3
85.02922	59.2
85.06528	23.2
87.00832	22.0
93.07056	24.2
95.08611	25.9
97.02898	45.9
98.21558	20.0
99.04433	13.0
99.08125	51.8
100.69553	11.4
105.01871	18.6
105.48761	11.9
107.08604	16.3
109.02888	36.1
109.06510	65.0
109.10159	18.3
111.08125	18.6
115.03885	13.0
121.06551	12.2
127.03913	44.9
127.11243	14.9
135.08138	18.0
135.11697	11.7
137.06000	43.4
137.13284	11.9
145.04984	15.0
145.10014	13.9
151.11215	15.4
153.12746	87.9
155.12772	9.1
155.14285	65.3
159.02979	10.7
163.11211	10.9
171.13817	22.9
177.12723	14.8
185.77245	11.4
193.12027	14.1
195.13814	16.7
382.51242	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	418.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56658	1.2
62.54559	1.3
69.03413	3.3
70.06577	3.0
70.29763	3.6
72.08161	3.3
74.06068	4.2
84.08175	1.7
85.02909	9.0
85.20988	1.2
86.09723	4.3
86.67456	1.2
87.04449	1.6
89.06038	73.3
97.02900	3.4
100.25393	1.4
103.35312	1.5
110.98447	1.5
121.53012	1.5
129.10358	1.7
133.08620	37.8
151.09659	2.5
152.07103	1.8
158.09230	2.1
177.11218	6.1
195.12204	2.0
201.46565	1.3
233.15009	3.1
239.14912	100.0
240.15289	2.2
312.36325	1.4
357.15454	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	418.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	19.1
55.48678	12.5
67.05508	27.4
69.07088	24.5
69.96992	53.6
79.05468	14.1
81.07040	42.3
83.04974	16.8
85.02896	19.4
91.05502	25.3
91.06374	10.7
93.07045	23.8
95.08590	21.4
98.21571	16.2
105.07066	68.5
107.08556	21.3
109.10160	66.7
119.08607	88.7
119.79497	13.2
121.02885	11.6
121.10175	14.9
123.11712	20.6
127.11176	33.9
127.86187	11.3
133.10085	25.2
135.04424	22.7
147.11694	33.2
151.80661	11.4
182.11508	11.6
203.17961	100.0
207.75368	13.2
222.77385	11.5
236.44127	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28404	1.1
60.23012	1.2
69.90549	1.1
69.90897	5.5
71.62070	1.0
94.93021	18.9
98.20911	1.4
120.94529	1.5
136.94035	100.0
148.92902	2.2
148.94035	33.1
166.95100	57.0
178.95041	3.1
190.95071	1.2
196.96152	19.3
202.83371	1.0
202.89157	6.6
202.90721	1.0
208.96175	3.1
230.88542	4.3
238.97261	2.3
256.95935	9.2
256.98462	11.0
274.87851	1.0
284.83606	4.1
344.85739	4.5
419.01364	91.8
420.01993	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25228	1.1
53.03934	1.4
55.01865	1.4
56.25984	1.3
57.03435	4.0
58.75046	1.1
60.04536	1.3
69.03439	1.8
69.07081	1.5
69.60455	8.1
70.06596	3.0
72.08155	3.0
75.04521	2.6
79.05493	3.9
81.07072	1.5
84.08160	1.3
85.02911	4.2
86.09705	7.5
91.05473	1.4
92.54330	1.2
93.07053	1.5
94.04183	1.6
95.04985	1.8
97.02930	2.3
102.05548	1.3
103.05508	1.8
105.07034	26.6
107.04956	3.1
109.06576	1.4
120.08152	1.5
122.03598	2.4
123.78255	1.4
124.05236	1.3
127.03965	1.6
133.06506	53.6
135.04460	1.6
137.05986	100.0
149.41309	1.3
151.07498	1.4
154.19115	1.4
163.07498	2.8
165.09132	28.1
175.07515	4.7
177.09195	1.7
181.08597	3.2
183.10164	21.4
203.10637	1.4
210.40442	1.3
219.13477	1.4
221.11717	4.8
239.12909	3.1
257.13852	21.0
261.63553	1.4
287.05499	13.9
322.85617	1.2
368.83652	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17128	3.4
53.03948	6.1
57.74673	3.2
69.17397	39.0
79.05500	8.8
87.00813	5.5
89.43218	3.1
89.78375	3.6
91.05495	19.4
93.07042	72.2
98.20716	7.1
105.01909	7.0
105.78753	3.3
107.08593	71.3
135.11699	100.0
136.12025	4.0
162.46056	4.4
189.41431	3.4
272.51819	4.3
325.05035	3.9
330.68179	4.1
337.96609	3.6
371.81885	3.8
418.25980	8.8
419.24124	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	418.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.8
55.01871	2.2
55.05509	2.3
57.07076	2.3
61.02927	1.3
62.26844	1.0
63.36210	1.1
68.99799	1.6
69.03436	8.2
69.73614	3.8
69.74036	2.3
77.03948	1.3
79.05495	42.2
81.03416	8.9
81.07072	1.5
84.58801	1.1
85.02912	26.9
85.03435	1.5
87.00832	11.5
91.05484	17.4
93.07047	100.0
94.07388	1.3
95.04966	3.9
96.11141	1.1
97.02893	8.6
98.20815	1.2
99.04463	3.4
100.33715	1.0
101.96070	1.2
105.01879	17.9
105.04476	2.1
105.07030	3.2
107.08600	46.6
108.04440	1.4
109.02886	7.4
127.03924	24.1
135.11702	51.2
136.12083	1.5
145.04979	14.1
147.02852	1.8
152.14308	1.7
159.02950	6.0
178.35942	1.2
187.12706	1.2
188.17796	1.4
213.03949	1.5
231.05006	7.4
234.88960	1.1
248.07675	1.2
249.06052	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	417.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.05505	8.2
57.07061	3.6
65.03925	2.9
67.05511	19.0
69.07061	11.0
71.50825	3.0
77.98708	2.3
79.05487	11.4
81.07071	19.7
83.08607	3.0
91.05490	21.1
93.07053	34.1
95.04964	8.3
95.08624	28.1
97.06566	7.1
103.05499	3.3
105.07030	39.8
107.08605	27.3
109.06513	6.9
109.10155	21.7
111.08144	2.7
113.02128	2.7
117.07008	11.9
119.08594	52.7
121.06476	6.3
121.10146	38.8
123.08046	7.1
123.11703	7.2
125.05983	4.7
128.06195	5.6
129.07005	10.2
131.08562	23.7
133.10138	21.5
135.08063	4.7
135.11697	14.7
137.05960	15.8
137.09657	3.9
142.07787	8.7
143.08578	21.7
144.09306	5.5
145.10139	39.8
146.53612	2.5
147.11702	12.9
149.13271	3.4
151.42172	2.8
153.06984	2.8
155.08540	9.1
156.09349	10.6
157.10152	27.4
158.10912	4.0
159.07985	4.3
159.11728	17.8
160.12517	4.2
161.13249	7.8
165.07001	3.9
166.07658	3.5
167.08556	4.2
169.10117	12.2
170.10947	3.4
171.11711	15.4
172.12436	4.5
173.13306	12.6
175.14848	6.1
179.08611	7.4
180.09358	3.3
181.10121	10.9
182.10960	6.1
183.11725	16.8
185.13304	6.7
187.14812	11.4
193.10187	4.5
195.11760	17.3
196.12587	5.9
197.13264	13.9
199.11131	2.9
199.14847	5.2
201.16342	3.2
205.10214	3.7
207.11708	6.4
209.13289	10.0
210.14137	3.8
211.14861	6.2
213.16307	5.1
221.13158	4.8
222.14079	3.6
223.14828	10.3
233.13176	4.1
235.14865	5.5
237.16289	3.8
249.16338	4.3
251.17982	7.2
253.19550	4.2
266.20288	7.1
295.17221	2.7
417.29733	100.0
418.30032	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	417.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.8
55.05508	13.8
57.07071	6.0
67.05507	28.4
69.07066	19.8
71.05011	7.6
73.78913	5.5
79.05494	22.9
81.07072	39.3
83.04971	5.0
83.08611	6.1
91.05494	37.7
93.07038	46.2
95.04977	16.4
95.08609	38.0
98.98479	11.0
105.07042	64.1
107.08607	54.2
109.06537	80.1
109.10162	26.7
115.05464	6.8
117.06998	14.2
118.64284	4.7
119.08595	83.4
120.08961	5.5
121.06475	5.1
121.10161	60.3
123.08109	6.2
123.11698	15.3
128.06279	9.4
129.06984	17.4
131.08580	44.2
133.10155	64.3
135.08035	11.9
135.11690	34.7
136.64166	4.4
141.07002	10.0
142.07784	20.0
143.08572	38.0
145.10143	52.3
147.08054	21.0
147.11691	19.8
149.09669	14.0
155.01033	13.2
155.08556	22.9
156.09351	10.4
157.10152	57.6
159.08090	9.5
159.11699	17.7
161.09625	19.6
163.11267	7.7
165.07074	7.7
167.08601	11.9
169.10129	34.4
171.11691	30.3
173.09650	18.6
173.13280	28.2
175.11179	9.4
175.14836	14.5
179.08575	11.5
180.09375	9.1
181.10147	15.5
182.34059	5.1
183.08156	5.2
183.11739	24.6
185.09651	11.8
185.13243	17.3
187.11186	12.5
187.14902	23.4
193.10146	14.4
194.10936	11.6
195.11728	35.9
196.08859	6.2
197.09581	5.2
197.13237	18.8
199.11183	17.0
199.14810	10.9
201.12746	5.9
201.16440	6.7
203.10704	9.0
205.10130	7.5
206.10994	16.4
207.11772	16.0
209.13312	21.9
211.11171	10.8
211.14853	16.6
213.12872	7.8
213.16365	15.1
217.10095	7.0
217.12161	5.7
219.11658	12.6
220.12492	11.4
221.13269	14.8
223.14842	12.3
225.12721	7.1
225.16402	8.3
233.13243	15.5
234.13928	8.4
235.14853	15.4
237.12823	10.2
237.16373	6.8
239.17879	6.7
247.14861	10.2
251.18008	9.2
253.15842	11.6
253.19603	5.3
259.14786	8.2
263.14215	5.0
263.23163	9.7
269.18906	5.7
273.16544	8.1
277.15863	6.6
281.19049	12.5
293.19058	7.1
295.16992	8.6
301.19516	11.4
317.22723	10.4
341.22559	8.5
357.25867	14.7
359.23654	13.5
375.26785	16.0
399.26837	28.6
417.27908	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.6
55.05520	20.9
57.07064	5.5
65.03943	4.1
67.05512	29.2
69.03426	4.7
69.07063	16.2
71.50645	3.8
73.56194	4.1
78.54446	3.6
79.05512	29.6
81.07066	53.6
83.08627	12.8
91.05488	46.0
93.07057	61.6
95.04977	17.0
95.08639	47.1
97.06552	15.8
103.05511	5.7
105.07047	81.1
107.08616	52.2
109.06530	13.8
109.10172	41.3
111.04507	4.1
111.08081	8.8
115.05424	5.4
117.07007	16.0
119.07816	7.9
119.08601	100.0
121.06547	6.3
121.10158	84.7
123.08076	14.4
123.11736	10.1
125.06009	6.7
127.03944	6.9
128.06226	11.3
129.07011	14.8
130.07835	6.7
131.08592	45.8
133.10135	44.9
135.08067	9.8
135.11710	14.4
137.06000	28.1
137.09531	5.1
141.06993	7.5
142.07782	16.8
143.08592	38.2
144.09355	12.9
145.10143	52.5
147.08063	4.8
147.11693	17.0
149.09732	6.0
149.13287	5.6
153.06911	5.5
155.08566	15.5
156.09357	14.8
157.10159	50.5
158.92754	4.3
159.08038	6.4
159.11783	32.4
161.09627	7.8
161.13213	8.8
165.07008	6.1
165.09143	4.4
167.08455	6.7
168.09352	7.3
169.10150	24.0
171.11728	29.7
173.09686	8.1
173.13286	16.6
175.07442	5.1
175.14864	14.6
179.08601	11.4
180.09323	5.3
181.10126	12.2
182.10924	9.4
183.11742	26.9
184.12447	4.6
185.13252	13.5
187.14862	17.0
193.10217	7.9
194.10915	7.5
195.11713	19.4
197.09625	4.2
197.13292	19.9
199.11168	10.3
199.14839	13.3
201.16420	7.5
205.10089	4.8
206.10921	6.3
207.11745	7.5
208.12419	5.8
209.13277	20.1
210.14038	6.5
211.11240	6.2
211.14760	13.3
213.16263	6.0
217.12314	6.9
219.11848	4.5
220.12529	6.8
221.13124	5.2
223.14870	10.6
225.16434	5.5
235.14853	9.4
239.18053	10.6
249.16443	5.5
251.17888	5.1
253.19579	8.9
265.19708	4.2
295.17032	7.6
318.70453	3.6
347.27203	5.0
417.27725	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2641
Annotation	vibsanin B
Peak:m/z	Relative Intensity
51.93555	1.5
52.90617	1.4
53.03941	3.3
55.05514	28.1
55.30375	1.6
59.05014	1.8
65.22884	1.6
65.38058	1.6
67.05509	15.6
68.27518	1.7
69.07058	5.2
69.10758	1.6
71.51207	1.6
71.51614	2.1
74.26302	1.5
79.05511	13.3
81.07057	24.8
83.04993	34.3
83.08594	1.8
91.05488	19.6
91.53033	1.8
93.07054	23.8
95.04979	2.6
95.08616	20.4
97.06500	2.6
97.10197	3.3
98.98470	2.4
101.06015	11.1
105.07041	39.5
107.08606	29.4
109.06520	3.6
109.10178	13.4
117.07008	9.3
117.21845	1.5
119.08588	23.3
121.10168	16.3
123.08048	2.1
123.11688	2.3
125.09637	3.3
129.07013	6.1
131.08583	22.3
133.10126	22.5
135.08054	3.5
135.11743	8.6
141.06946	2.2
142.07745	2.1
143.08577	9.7
145.10138	27.3
147.11681	21.8
149.09621	2.7
149.13237	3.5
151.11217	3.5
155.00996	4.1
155.08566	10.9
157.10133	15.0
159.11708	19.9
161.09669	3.2
161.13290	10.3
161.27043	1.9
163.11200	4.7
164.31018	1.7
169.10147	13.2
171.11641	16.0
173.13284	8.7
175.11185	3.2
175.14769	2.1
179.10728	2.1
179.14713	2.0
181.10107	2.6
183.11700	7.7
185.13268	6.7
187.14772	3.1
189.12820	2.6
193.12207	2.5
195.11685	3.0
197.13263	22.9
199.14714	2.0
203.10779	2.1
205.12025	2.0
209.13217	1.8
211.14772	12.6
213.16353	5.3
215.14291	2.0
225.16385	16.7
241.19588	4.1
243.13747	4.3
243.21091	6.7
253.15749	3.1
253.19534	61.3
254.19913	1.8
257.15344	2.2
271.17429	4.4
271.20560	51.5
281.19061	7.0
287.20190	2.0
299.20105	42.9
300.20700	2.1
317.21301	9.3
417.26398	100.0
417.30594	3.6
418.26941	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	417.2252
Annotation	Deoxyschizandrin
Peak:m/z	Relative Intensity
55.05489	1.3
56.96574	1.0
62.09904	0.9
67.05503	3.3
69.07060	0.9
71.50103	1.2
79.05493	2.5
81.07041	3.4
83.04979	1.3
83.08642	0.9
91.05503	2.9
93.07030	3.4
95.08606	2.8
97.06512	1.1
105.07035	3.6
107.08578	1.9
109.06553	1.1
117.06983	1.5
119.08612	2.9
121.06597	1.0
121.10150	1.1
123.08081	1.0
131.08586	1.3
133.10175	2.7
135.04439	5.0
135.08063	1.9
143.08524	1.3
145.06502	1.5
145.10115	1.2
147.08096	1.2
151.03917	2.2
156.09225	1.0
167.07092	3.0
169.10158	0.9
171.08063	1.1
181.04997	1.1
183.11661	0.9
187.11183	1.9
191.10597	1.3
201.09149	0.9
213.09158	1.3
227.10638	1.0
315.08728	2.5
321.18573	1.0
327.19482	1.6
339.19415	10.1
357.20462	18.3
381.20569	1.6
399.21457	16.1
417.22510	100.0
418.22888	2.9
421.47302	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
55.01853	1.9
55.05495	4.1
57.07065	7.1
58.25895	1.5
61.02914	4.6
65.03927	6.6
65.72157	1.7
67.05183	1.9
67.05511	29.3
68.99783	5.5
69.03445	10.1
69.07071	12.2
69.86298	6.9
71.04980	6.7
76.94564	1.8
78.04712	2.3
79.05503	11.5
81.03415	12.2
81.06599	2.8
81.07062	54.0
82.04202	1.7
83.04973	1.8
83.08605	4.5
85.02917	10.1
85.06543	28.3
87.00831	4.3
91.05462	5.7
93.03384	1.6
93.07037	5.3
95.04974	15.1
95.08601	6.5
97.02910	7.2
97.06526	2.7
99.04472	1.9
99.08105	1.9
102.27158	1.3
103.05454	6.9
104.69714	1.3
105.07045	5.9
107.04944	9.2
107.08586	5.3
107.72025	1.4
109.02895	12.5
109.06499	3.1
109.10165	52.5
111.04417	2.5
115.05441	4.1
117.07018	5.6
118.04169	3.0
119.08572	1.7
121.06487	1.8
121.10108	2.5
123.04440	9.0
123.11722	29.6
124.05222	2.8
125.05952	1.8
125.09629	4.7
127.03912	9.0
127.11198	51.7
129.01822	6.4
131.04929	5.8
132.05699	1.9
133.10143	2.6
135.08090	2.6
137.05960	2.3
145.06496	8.1
147.02864	3.0
148.05190	4.7
151.03873	2.7
151.11194	8.0
152.04654	3.7
153.05458	2.1
155.06027	3.6
159.08025	1.6
161.05963	1.5
163.07513	6.7
167.07056	100.0
169.12238	22.5
173.05962	14.4
181.04968	54.4
191.07025	18.7
203.07051	1.7
205.08559	3.5
217.08502	2.1
231.13841	3.7
233.08078	9.4
235.09709	3.7
357.13263	1.4
381.13373	2.9
387.14417	10.2
399.14099	2.2
417.15298	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	417.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.0
55.05498	4.3
57.03419	4.7
57.46139	2.3
67.05523	3.0
69.03419	7.5
70.03231	11.9
70.06590	6.2
72.08164	34.8
73.84306	2.4
75.04473	2.7
79.05499	6.5
81.03432	5.3
81.07047	3.5
83.04985	2.9
84.04497	3.2
84.08150	2.9
85.02896	9.0
86.03176	2.2
86.09713	22.2
91.05489	7.0
91.31829	2.3
93.07065	4.7
96.49404	2.2
97.02892	6.1
97.06533	2.8
103.05489	17.0
105.07047	51.4
107.04956	6.9
109.02856	4.3
109.06523	2.5
117.07082	3.7
122.03649	4.8
124.05239	4.5
127.03938	2.9
131.04926	29.5
132.05678	3.6
132.10196	3.1
133.06508	100.0
134.06880	3.0
137.05992	94.9
143.08585	2.8
145.10028	2.5
148.05180	18.1
150.06766	34.1
153.33031	2.4
161.06015	4.8
162.06622	2.3
163.07561	21.7
164.08321	3.8
165.09142	77.5
169.10081	4.4
175.07498	3.2
179.07016	3.7
183.10262	3.6
188.63026	2.7
189.09128	3.0
201.12338	8.2
211.09641	6.3
215.10391	6.2
237.11258	3.5
239.12817	5.7
261.11227	3.1
263.21429	2.6
284.15118	2.8
357.72867	2.6
410.19873	2.4
417.16849	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	417.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05424	0.9
53.03945	3.1
55.01863	1.3
55.05504	2.4
57.03443	1.2
57.07068	4.5
58.03795	1.0
61.02927	3.7
65.03947	5.3
66.04702	1.2
67.05509	17.4
68.99786	3.9
69.03429	6.6
69.07062	6.7
69.72322	2.1
69.72735	5.1
70.06593	1.2
71.04994	4.0
78.04700	2.8
79.05499	6.6
81.03431	6.4
81.06596	1.8
81.07063	30.8
82.04204	1.8
83.08604	1.4
85.02907	6.7
85.06549	13.0
87.00838	1.5
90.10376	1.3
91.05474	4.3
93.03420	1.2
93.07029	3.8
95.04964	8.1
95.08603	3.1
97.02884	4.3
103.05461	9.3
104.06283	1.2
105.07033	3.5
106.04165	2.5
107.04980	8.5
107.08590	3.9
109.02877	5.7
109.06530	2.1
109.10173	28.5
110.03666	2.4
111.08129	1.0
115.05492	5.2
117.07044	4.4
118.04163	1.3
121.10199	2.1
123.04438	9.4
123.11706	15.6
124.05224	3.3
125.05945	1.4
125.09659	1.4
127.03919	5.5
127.11198	28.6
129.01797	5.6
131.04906	6.5
131.08556	1.7
133.02820	1.2
133.06506	1.5
133.10120	1.8
134.03674	1.2
135.04425	1.1
135.08080	1.5
137.05956	1.7
138.03143	1.3
142.02628	1.7
145.06511	8.7
147.02858	2.1
147.08101	1.7
148.05183	4.5
149.06026	1.8
149.09546	1.2
151.03851	1.3
151.11197	3.7
152.04738	1.9
153.05515	1.9
155.06053	3.7
161.05991	3.1
163.07558	6.4
167.07051	100.0
168.07391	1.3
169.12280	12.9
171.06549	1.6
173.06000	14.0
175.07494	1.2
181.04965	56.4
191.07050	18.6
195.06509	1.1
205.06786	1.1
205.08653	4.3
211.16293	1.1
217.08571	1.5
231.13826	1.8
233.08188	7.4
235.09698	5.8
235.71867	1.0
263.09195	1.7
365.03867	1.1
367.07800	1.4
385.12781	1.6
387.14429	13.6
399.14478	2.0
417.15399	25.2
418.15262	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
56.96587	0.3
67.05518	1.9
70.06567	0.3
70.16814	0.6
70.17204	0.5
81.92322	0.3
85.02915	0.3
94.06570	6.2
98.97540	0.4
99.12066	0.2
106.06561	2.2
122.06039	4.3
150.05516	100.0
151.05873	1.2
168.06580	33.4
169.07068	0.3
226.55679	0.3
251.01828	0.3
275.43692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1547
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
52.52764	0.6
53.03926	1.1
53.50080	0.5
55.01857	2.0
55.05502	1.2
64.66969	0.6
65.03945	3.3
67.05495	2.3
69.03417	1.5
69.07056	1.9
69.58920	3.8
78.04700	2.8
79.05500	4.6
81.03400	1.0
81.07056	1.3
82.04195	1.8
83.04972	1.0
84.08127	0.5
85.02924	3.0
85.03338	0.6
86.09723	5.6
91.05466	3.4
93.03395	1.0
93.07035	0.9
95.04970	2.5
97.02900	0.7
97.06527	1.5
98.20850	1.1
103.05481	8.2
105.03391	0.9
105.04491	1.0
105.07053	3.1
106.04174	2.4
107.04964	7.5
107.08646	0.8
108.02071	0.8
109.06514	0.8
110.03664	2.4
111.04424	0.8
115.05473	5.2
117.07027	5.7
118.04169	1.4
119.04984	0.9
121.06515	1.2
123.00811	0.7
123.04446	8.5
124.05230	3.3
125.05984	1.8
127.05461	0.9
128.06233	0.7
128.10719	3.4
129.07036	1.1
130.04160	1.1
130.06564	1.5
131.04953	6.9
132.05751	3.2
132.08090	2.0
133.02847	1.2
133.06506	1.4
134.03610	1.7
137.05995	2.0
138.03122	0.8
141.06976	0.6
142.02637	2.0
143.04926	0.8
144.05722	1.1
144.08078	1.4
145.06502	8.5
146.05983	3.7
146.23387	0.6
147.11826	0.6
148.05199	3.8
149.05998	0.9
151.03925	2.0
151.07578	0.8
152.04694	2.2
153.05493	1.2
155.06081	4.1
157.06485	0.8
159.09216	1.7
160.05220	1.1
161.05994	3.7
163.07565	6.3
165.05571	0.8
167.07057	100.0
168.07396	1.4
171.06573	2.0
171.07945	0.7
173.06006	13.3
175.07545	0.7
177.05547	1.2
181.04973	53.7
187.07538	1.3
188.07074	7.3
191.07051	16.0
192.07796	1.7
193.08617	1.1
195.06531	2.2
201.05582	0.8
205.08667	2.8
216.11345	2.7
217.08650	1.0
219.10208	0.8
233.08081	6.1
235.09683	4.3
244.10803	1.1
262.11862	5.0
307.09747	0.9
329.10358	1.0
357.13165	0.7
367.08087	4.0
381.13412	1.1
385.13120	1.2
387.09573	0.8
387.14453	12.0
399.14725	1.0
417.15546	24.3
418.16064	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	15.0
53.84047	2.9
55.01864	14.2
57.03423	7.1
59.57481	3.6
61.02925	4.2
68.07657	3.5
68.49107	4.1
69.03438	45.2
70.41972	6.2
70.42361	6.6
71.04999	5.2
73.02908	10.6
79.05495	12.2
81.03423	39.8
81.07036	4.9
85.02436	5.6
85.02910	80.5
87.00824	30.3
91.05492	21.3
93.07026	27.3
95.04965	12.2
97.02908	32.8
99.04452	11.0
105.01884	20.3
105.07041	15.7
107.04966	81.1
107.08610	18.2
109.02885	45.8
109.06518	20.9
110.77090	3.5
112.08899	4.1
115.05466	4.1
121.06524	63.2
121.10156	28.8
127.03927	61.6
129.01805	4.7
129.27010	2.9
131.04915	5.6
131.08580	14.5
133.06479	11.3
145.04991	25.7
145.06447	9.2
147.02795	5.1
147.08026	6.5
149.09637	100.0
159.02928	23.3
161.05948	5.2
165.22630	3.0
167.10681	23.1
171.08043	4.4
172.84106	3.0
178.78702	3.2
189.03931	3.9
199.07492	6.3
217.08571	11.5
231.04999	9.5
415.16000	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	415.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	21.5
55.01871	6.8
55.05509	14.6
57.01316	3.0
57.03433	7.9
61.02943	3.2
65.03945	5.1
67.05501	17.9
69.03435	16.8
69.07060	9.5
69.62525	5.0
69.62946	14.6
70.06580	10.5
71.05001	17.1
77.11873	3.2
79.05502	44.5
81.03001	3.7
81.03426	61.1
81.07059	53.2
83.04984	12.0
85.02915	19.7
85.06545	8.8
86.09703	3.9
87.00830	7.7
89.84706	3.3
91.05484	38.2
93.06489	6.2
93.07056	100.0
94.62291	3.4
95.04990	20.1
95.08633	24.5
97.02869	15.2
97.06535	24.6
98.20742	3.8
99.04466	49.5
105.01847	5.5
105.04533	4.7
105.07055	58.7
107.04951	10.3
107.08611	60.3
108.76474	3.2
109.02898	49.9
109.06541	28.3
109.10161	12.4
111.08082	7.7
117.07014	6.4
119.08592	45.8
121.06529	33.4
121.10153	51.3
123.04438	3.9
123.07195	2.8
123.08047	14.8
123.11680	13.1
125.05975	11.9
125.09490	3.7
127.03967	16.2
127.07590	7.5
129.01848	5.9
129.06985	10.9
131.05037	4.0
131.08574	13.0
133.06505	3.3
133.10153	21.0
135.04372	3.6
135.08066	20.5
137.06007	23.8
139.07584	17.5
143.08615	6.4
145.04959	7.5
145.10110	12.5
147.08083	6.8
147.11697	82.6
149.05995	4.8
149.09641	23.0
149.13242	4.0
151.07512	7.7
157.10132	15.7
161.05992	4.0
161.09589	4.8
161.13263	8.3
163.07552	4.5
165.12775	46.1
167.10678	20.4
171.11766	18.4
173.09654	3.9
173.13248	3.8
175.07564	5.0
175.11214	28.7
179.06992	5.9
181.10078	4.0
183.13725	4.7
187.06110	3.9
187.07564	11.3
189.12732	24.1
191.10539	3.7
191.14348	4.5
193.12262	37.9
199.11235	12.1
205.07027	3.4
207.13774	16.4
209.15463	6.0
211.13293	6.3
213.09122	5.8
217.08704	3.4
217.12256	45.6
229.14357	12.2
231.08060	3.7
235.13385	41.5
243.10202	3.8
253.14325	21.1
255.06265	4.5
270.08862	4.0
291.10162	5.7
302.14777	4.0
326.11273	4.1
341.13644	5.2
371.16745	6.1
379.17953	4.0
397.18387	12.7
415.15182	23.7
415.20352	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	415.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57913	3.4
53.54651	3.3
56.96564	12.8
69.94981	13.9
70.06599	10.7
71.34919	4.5
85.02917	5.9
86.09728	6.0
94.06581	6.8
98.21586	6.2
98.97601	34.4
110.97588	8.4
116.98623	12.8
122.27229	3.6
123.72686	3.4
128.98601	9.6
140.07069	5.0
146.99643	4.1
150.05522	100.0
150.06708	7.3
158.99606	4.2
161.01239	4.4
168.06557	33.2
170.99817	4.3
210.99100	8.0
219.01830	21.0
234.98845	4.5
235.02847	6.7
237.02806	24.8
243.08775	4.3
266.64053	3.5
337.02557	4.2
344.97617	4.5
415.04910	4.6
415.09854	24.4
415.15314	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	415.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77612	3.5
53.03951	13.8
54.20731	3.2
55.01880	16.1
57.03437	10.4
61.02933	5.7
67.05506	7.3
69.03426	35.4
69.49052	7.9
69.49464	18.7
71.04995	6.5
73.02924	13.2
79.05508	17.3
79.32848	3.5
81.03432	39.2
81.07066	6.7
83.05023	4.3
85.02916	83.6
86.09709	9.9
87.00846	31.3
91.05459	24.1
93.07053	27.4
95.04990	11.0
97.02880	33.9
97.06551	6.6
99.04458	17.3
103.03960	7.3
104.98417	3.5
105.01875	21.1
105.07050	17.2
105.56293	3.2
107.04297	6.6
107.04964	72.9
107.08608	17.5
109.02886	44.2
109.06532	24.8
109.10090	3.9
117.01917	6.1
117.07005	5.1
119.08622	4.9
121.06517	63.3
121.10131	30.1
127.03918	55.4
128.06226	3.5
129.01889	5.3
129.06978	5.3
131.04880	5.9
131.08585	11.5
133.06514	14.6
137.05986	12.2
137.09669	4.2
143.08589	3.3
145.04955	22.9
145.06532	6.9
147.02803	3.4
147.04372	3.9
147.08083	5.1
149.05975	9.8
149.09631	100.0
159.02899	19.7
161.06038	7.9
161.09682	6.2
163.07695	4.0
167.07072	13.6
167.10680	22.4
171.08076	4.3
175.07619	3.9
176.72583	4.2
180.87057	4.1
187.07533	5.0
189.03912	4.1
189.09171	7.3
199.07582	5.0
213.03973	5.3
217.08614	6.0
231.05028	10.6
233.85825	3.7
253.14099	3.8
355.34561	3.7
415.15805	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	414.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
55.01864	0.3
55.05510	1.5
55.05732	0.4
56.96555	0.5
57.07059	0.4
62.06102	0.7
67.05508	2.6
69.03419	0.9
69.07043	1.3
70.06576	1.2
70.19061	0.6
70.19447	0.6
71.04990	0.4
71.08640	6.8
71.75880	0.3
72.08164	1.7
79.05477	1.3
81.03423	0.5
81.07060	2.4
83.04991	0.5
83.08614	0.4
84.08146	1.5
85.06561	0.4
86.05602	0.5
86.06075	6.4
91.05496	3.4
93.07055	2.9
95.04966	0.4
95.08614	6.1
96.08149	3.5
98.06045	1.4
98.09702	4.8
99.04439	1.1
99.08110	3.1
105.07021	0.7
107.08531	0.6
108.08129	2.3
109.06544	0.3
109.10201	1.5
110.09686	0.4
113.49603	0.3
114.09174	0.6
114.18287	0.4
116.10743	24.5
119.08594	4.1
121.08887	0.5
122.09666	2.4
124.07573	1.2
126.09169	0.9
129.07025	0.5
133.10121	0.5
135.10420	0.4
136.11214	0.6
137.09613	2.6
138.09161	0.4
140.10747	0.7
142.08594	1.3
143.10672	3.4
147.08061	0.7
150.12781	0.4
154.15906	2.8
164.14386	0.5
165.09096	0.8
166.15930	2.7
168.17497	0.8
174.34840	0.3
178.15877	1.2
185.11778	0.3
196.16978	8.0
214.18037	100.0
215.18420	1.7
227.12996	0.3
230.17552	0.4
236.20039	0.3
244.15446	0.4
245.13867	1.2
254.21153	1.6
256.19077	1.0
280.19064	2.2
298.20111	2.0
315.28482	0.4
316.21210	18.4
352.28693	0.4
378.26416	0.5
396.27411	1.4
414.17804	0.7
414.28540	11.3
415.28720	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27700	0.5
51.15377	0.5
55.01868	0.8
55.05509	4.1
57.70625	0.5
58.49794	0.5
62.06096	0.7
67.05510	4.0
69.03420	1.2
69.07058	2.2
70.06584	1.7
71.04996	1.2
71.08635	8.1
71.50185	1.0
72.08164	3.7
79.05504	3.6
81.07055	4.8
83.04975	2.1
83.07334	0.7
83.08614	0.9
84.04498	0.6
84.08134	2.2
86.06068	14.2
91.05479	6.1
93.07050	4.4
95.08612	11.4
96.08139	7.2
97.06518	1.3
98.06059	1.8
98.09703	8.7
99.04454	1.9
99.08104	2.7
105.07025	2.3
107.08578	1.3
108.08145	3.1
109.06536	0.6
109.10145	3.0
110.09708	1.3
112.07558	0.8
113.06040	0.7
113.08411	0.6
114.09165	1.1
116.10739	50.4
119.08589	9.3
122.09716	2.9
123.08076	0.6
124.07600	2.5
126.09118	1.0
129.07019	0.7
136.11234	1.0
137.09624	5.9
138.09108	0.7
140.10782	0.7
142.08698	3.6
142.12239	0.8
143.10684	6.2
147.08069	2.4
148.11255	0.9
154.15900	3.5
159.11736	0.7
163.07458	0.6
165.09146	1.0
166.15923	2.2
178.15909	1.1
196.16998	8.1
209.11816	0.8
209.83339	0.6
214.18031	100.0
215.18332	2.3
220.16833	0.7
227.12921	0.7
234.18253	0.6
236.20131	0.8
238.18031	0.9
245.13806	1.6
254.21147	4.6
256.19165	3.3
262.11493	1.1
280.19113	6.0
298.20117	4.7
316.21213	62.6
317.21466	2.2
396.27597	1.4
414.12476	1.1
414.23184	1.2
414.28552	17.4
429.91599	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68551	4.7
51.94676	4.9
55.01866	8.5
55.05516	55.9
63.96278	4.4
67.05505	7.5
69.03419	18.5
69.07079	6.2
69.30949	38.1
71.04991	6.4
79.05476	7.4
81.07040	11.0
83.04987	100.0
84.04483	5.4
85.02891	18.4
90.43143	5.3
91.05475	16.3
93.07053	11.4
95.04964	17.8
105.07020	18.3
109.06512	5.1
113.05942	6.1
117.07079	8.4
119.08544	5.2
121.06522	17.7
125.09637	7.3
127.11190	7.8
128.06157	5.3
129.06978	7.5
131.08536	13.2
133.10075	7.2
136.06204	6.3
143.08542	12.1
145.06451	6.6
145.10107	11.6
147.08034	6.1
149.05956	12.6
155.08566	8.1
157.10168	7.1
161.05942	4.8
161.09645	6.2
169.10092	13.4
173.05994	5.9
173.09610	10.1
177.09161	6.0
177.12773	4.6
187.11159	6.8
191.07057	5.6
197.09621	11.8
199.07640	5.6
201.09056	9.3
215.10686	19.9
225.09166	7.2
231.10246	6.8
243.10196	22.5
261.11224	33.2
279.12292	16.5
283.01044	4.8
286.86536	5.2
355.96332	5.0
371.40387	5.4
377.84378	5.3
379.17572	6.7
414.18552	6.6
414.28250	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	414.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01873	0.5
55.05513	0.9
55.84794	0.3
57.03441	0.3
57.07081	0.3
60.56519	0.2
61.02909	0.3
62.06076	0.6
65.03947	0.3
67.05515	1.6
69.03436	1.8
69.07068	0.6
69.31332	2.2
70.06596	0.7
71.04999	0.4
71.07352	0.4
71.08635	6.0
72.08160	1.6
72.12735	0.2
73.02901	0.5
79.05489	0.9
81.03418	1.0
81.07063	2.3
83.04963	0.4
83.08601	0.4
84.04509	0.5
84.08152	1.1
85.02909	2.8
86.06071	3.4
87.00822	1.3
91.05481	1.9
93.03399	0.4
93.07046	1.2
95.08621	2.6
96.08149	2.3
97.02894	1.1
97.06548	0.5
98.06036	0.7
98.09697	2.8
99.04445	1.5
99.08107	2.7
105.01852	1.0
105.07001	0.7
107.04940	0.4
107.08575	0.4
108.08122	1.6
109.02877	1.1
109.10142	0.6
110.09677	0.5
113.08405	0.5
114.09146	0.3
116.10741	15.7
117.07025	0.5
117.11105	0.3
119.08589	2.3
121.08904	0.5
122.09705	1.6
123.08099	0.5
124.07585	0.6
126.09163	0.6
127.03932	1.5
129.01845	0.4
136.11223	0.8
137.09644	1.7
140.10701	0.8
142.12178	0.4
143.08571	0.4
143.10695	1.6
145.04980	0.6
145.10080	0.3
147.08043	0.5
149.09634	0.7
150.12874	0.4
152.14323	0.4
154.12352	0.4
154.15932	3.1
159.02885	0.4
162.13640	0.3
164.14383	0.3
165.09062	0.3
166.15918	2.6
167.14197	0.3
168.17496	1.1
178.15923	1.4
183.10286	0.3
185.11722	0.5
191.10699	0.4
196.16988	8.0
214.18036	100.0
215.18370	2.1
219.71088	0.3
231.05167	0.4
233.11742	0.3
245.13799	0.7
254.21217	0.4
280.19098	0.8
298.20215	0.3
307.62762	0.3
316.21210	3.5
396.27423	0.5
414.22913	0.2
414.28531	6.9
415.28979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2173
Annotation	Tinocordifolioside
Peak:m/z	Relative Intensity
55.01861	4.8
67.05495	5.6
69.03426	7.8
70.06594	5.2
71.05000	33.7
71.51373	4.4
81.03439	5.0
81.07064	4.1
85.02904	15.2
87.04500	3.0
91.05461	6.0
93.07024	4.8
95.04990	3.2
95.08563	3.3
97.02905	5.8
97.06549	3.5
98.97557	7.2
99.04475	6.5
105.07037	8.3
107.08601	6.1
109.02879	5.1
109.10191	3.7
119.08582	7.0
121.06494	4.3
121.10104	3.9
127.03925	7.5
127.10310	5.6
127.11208	100.0
131.08624	5.5
133.02913	3.4
133.10144	4.1
135.08051	4.1
137.05960	15.9
147.08041	4.7
149.09654	4.9
151.07565	8.6
159.11690	4.4
161.05920	4.9
161.09604	6.6
173.09567	9.7
175.07625	3.5
177.09116	17.9
187.07570	6.7
187.11192	5.3
191.10626	6.9
199.07588	3.7
215.10645	3.9
217.08540	3.9
229.08604	4.5
233.11786	3.2
233.15352	22.3
251.16415	12.3
259.09964	3.1
413.15372	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81530	11.9
53.82402	11.9
69.58147	36.8
69.58574	47.1
70.06580	17.3
74.06087	13.0
98.97604	12.9
117.41240	11.3
171.33119	12.9
237.02765	11.9
293.26105	14.6
413.08432	45.3
413.14047	100.0
438.37958	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	413.1209
Annotation	Ziprasidone
Peak:m/z	Relative Intensity
70.06605	13.6
70.64117	6.1
70.64449	12.7
80.81023	5.5
93.17880	5.9
98.97607	6.8
118.09695	5.4
137.05936	6.2
149.15640	5.4
155.46065	5.6
176.70792	5.0
184.05247	9.7
199.07588	10.9
200.10431	7.1
219.01804	8.5
220.63284	6.0
237.02649	6.6
413.11984	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1211
Annotation	Ziprasidone
Peak:m/z	Relative Intensity
55.93513	5.5
69.03423	6.2
70.06612	25.4
71.49946	6.4
72.08182	6.6
84.04542	5.9
84.08159	5.5
85.02935	6.4
86.09726	9.7
91.05492	8.8
98.97594	8.8
105.34388	5.1
110.97575	5.7
113.72107	4.9
124.17314	4.5
128.98653	11.0
136.06180	4.9
137.05949	7.0
199.07596	11.6
219.01802	7.5
237.02925	11.4
243.41037	4.9
292.13757	6.3
395.16409	8.7
413.12082	100.0
413.17697	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2154
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
51.98844	0.7
57.03420	0.9
66.03652	0.8
67.05502	1.2
69.03424	2.1
70.06593	3.7
71.05002	1.6
71.50776	1.2
72.08171	1.0
73.06548	3.2
79.05423	0.9
81.07048	1.1
83.04967	0.9
85.02908	3.0
86.09720	2.3
91.05481	2.1
93.07061	1.5
95.04993	1.2
95.08620	1.8
97.02924	0.9
97.06443	1.0
99.04437	1.3
105.07042	1.8
107.08604	1.7
109.02896	0.8
109.06515	0.9
109.10179	1.4
116.07093	1.9
119.08587	1.0
127.03993	1.1
127.11217	1.7
131.04826	0.8
137.06000	2.9
145.05070	1.3
145.10213	1.2
147.11705	1.0
159.10422	0.8
161.06024	0.9
165.05602	0.9
165.07079	0.9
169.13466	1.0
175.07581	0.9
178.06889	1.1
195.06636	1.2
207.08208	1.4
233.15445	1.6
270.11267	1.2
370.87924	0.9
413.21530	100.0
414.21985	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	412.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05899	1.2
55.05502	5.0
67.05508	5.5
68.04999	1.4
68.15382	1.2
68.81964	1.0
69.03398	1.2
69.07065	6.4
70.06570	1.8
71.04977	1.3
71.50829	1.7
72.16171	1.3
79.05482	4.7
81.03410	1.2
81.07052	5.9
83.04985	2.4
85.06581	1.3
86.06070	17.2
91.05499	7.3
93.07050	5.7
94.06557	1.2
95.05002	1.7
95.08616	14.2
96.08121	7.4
98.06064	7.8
98.09692	1.5
99.04450	7.1
100.11266	1.3
101.48182	1.0
105.07053	5.4
107.08591	2.3
108.08115	3.1
109.06573	2.1
109.10140	2.4
110.06028	2.6
110.09689	1.8
112.07626	1.1
114.09102	1.3
116.10745	7.0
119.08598	10.9
120.08163	1.7
121.10155	2.6
122.09661	2.3
123.08065	3.7
124.07598	7.5
134.09651	3.8
136.11232	4.5
137.09619	5.0
138.09146	2.8
140.10771	1.1
142.08636	15.1
146.14867	1.1
147.08098	3.0
151.11197	3.0
152.10690	2.0
154.12254	1.2
164.10759	4.5
166.12302	1.8
169.12277	5.0
180.13873	7.3
180.86667	1.4
182.15413	21.3
184.13341	17.4
190.12303	3.8
194.15475	2.8
203.78284	1.3
208.13347	22.7
212.16473	69.5
226.14369	12.1
244.15457	100.0
245.13753	2.6
245.15973	1.8
316.20874	1.4
334.23804	2.9
351.21811	3.6
352.24771	2.1
394.25793	4.1
412.26965	62.8
413.27322	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	412.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.5
55.05274	5.0
55.05516	75.8
56.05853	23.9
59.05001	4.4
62.76329	3.2
67.05506	5.8
69.03444	17.7
71.07548	7.1
79.05507	4.9
81.07043	5.6
83.04498	5.1
83.04990	100.0
84.05315	29.8
85.06539	8.9
86.06879	3.5
87.17250	2.9
91.05468	15.0
92.05807	5.9
93.07030	6.5
95.04947	8.1
96.05291	4.9
97.02903	6.0
103.05478	3.2
105.07031	10.0
107.04969	5.3
113.05994	5.8
115.05465	4.2
117.07027	5.9
118.07355	9.1
119.08614	5.0
121.06510	7.1
121.26762	3.2
122.06828	5.8
129.06992	7.1
130.07346	7.2
131.08536	5.8
132.08958	4.3
141.06992	4.2
143.08507	6.1
144.08893	10.1
145.06375	5.6
145.10150	7.0
146.06813	4.7
146.10493	6.9
147.08063	8.0
148.08420	4.2
153.06834	3.7
154.07664	5.0
155.08543	7.3
156.08929	8.1
158.10416	4.8
159.08028	5.1
160.08505	7.3
162.09955	3.3
169.10187	10.4
170.10474	13.9
171.08034	5.6
172.08430	3.8
173.09610	5.7
174.06314	3.9
174.10040	9.3
180.08850	4.2
183.44810	3.2
185.09650	4.4
186.09946	7.6
188.11510	5.6
190.09363	4.6
197.09702	7.3
198.10043	12.3
200.11458	4.4
202.09422	12.6
206.09261	3.8
214.09450	3.9
215.10683	11.6
216.11066	20.2
217.08740	4.9
218.08995	6.7
219.10123	4.6
219.93468	3.8
220.10522	5.1
226.09424	8.1
232.10477	4.2
233.11711	4.7
243.10170	7.2
244.10521	23.4
261.11258	36.0
262.11575	87.6
279.12198	4.3
280.12592	9.8
294.14191	11.5
312.15250	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	412.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
55.05512	2.9
57.03436	1.1
59.71978	0.8
67.05509	6.4
69.03422	1.5
69.07075	7.4
69.19472	0.8
70.06603	1.5
70.94440	1.0
70.94771	1.2
71.04997	1.5
71.94137	0.8
72.04521	1.6
79.05486	3.4
81.03431	2.2
81.07063	4.7
82.06540	1.1
84.04523	1.2
84.08121	0.9
86.06068	14.4
91.05487	7.5
93.07034	4.9
94.06586	1.2
95.04955	0.9
95.08620	13.5
96.08121	7.0
98.06063	8.4
98.09689	1.5
99.04465	4.5
105.07035	3.1
107.08614	2.4
108.08121	2.9
109.06523	1.7
109.10172	2.8
110.06033	1.7
110.09679	1.8
112.07595	1.5
114.09198	1.9
116.10734	5.2
119.08592	7.8
120.08103	1.9
121.10114	1.4
122.09675	3.4
123.08078	2.6
124.07601	5.9
126.09172	1.0
129.07039	1.3
134.09633	5.3
136.11217	5.1
137.09708	2.0
138.09134	1.3
140.10739	1.6
142.08652	14.5
146.09674	0.9
147.08063	3.2
151.11188	2.5
152.10696	1.0
154.12256	2.3
162.09137	0.9
162.12808	1.0
164.10770	2.7
166.08675	2.1
166.12306	2.0
169.12244	6.3
180.13843	5.0
182.15407	15.9
183.13934	0.9
184.13351	15.4
190.12263	1.7
194.15417	2.4
199.99799	0.8
208.13344	23.8
212.13475	1.0
212.16472	66.0
226.14418	10.4
244.15466	100.0
245.13773	1.9
245.16005	1.2
254.98898	0.9
334.23679	3.4
351.21652	4.0
352.24942	2.4
394.25995	4.3
412.26971	61.8
413.27185	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	412.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67568	0.9
53.03945	1.9
53.87503	0.9
55.01878	1.2
55.05516	61.8
65.55368	0.9
79.05486	1.3
81.07071	0.9
83.04987	100.0
84.05296	2.0
87.88068	0.8
91.05489	2.4
98.21622	1.7
105.07057	2.6
107.04972	1.3
117.07040	2.7
121.06504	1.1
128.06238	2.8
129.07005	3.2
131.08568	2.9
133.06522	1.2
135.08040	1.1
141.06984	1.2
142.07809	3.9
143.08569	6.1
145.06509	2.0
145.10135	3.0
147.08057	1.5
147.11823	0.9
152.06177	0.9
153.05516	1.1
153.07050	1.2
155.08556	3.3
157.10158	3.5
159.08128	4.5
161.06012	1.2
161.09613	0.9
165.07054	1.3
167.08582	4.0
169.10181	0.9
170.07263	1.6
171.08081	8.0
173.05991	1.4
173.09689	2.7
175.07590	3.9
175.11169	1.2
177.09114	1.0
181.31647	1.0
183.08051	2.1
185.09605	9.9
187.07571	2.3
189.09145	2.6
195.08093	2.9
198.54170	0.9
199.07588	3.8
201.09126	4.6
203.10696	1.3
205.08496	1.0
211.07494	1.5
213.09117	11.3
217.08557	4.3
219.10109	2.3
229.08588	2.9
231.10181	11.2
234.93204	1.1
241.08601	12.1
247.09691	7.7
259.09653	17.8
274.05386	0.9
277.10733	5.2
395.17004	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	412.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	62.1
69.07063	21.9
71.30724	5.1
83.04492	6.0
83.04986	100.0
85.02908	8.8
87.58995	3.2
91.05489	4.2
95.08628	3.4
95.38741	3.0
103.05470	4.3
105.07002	4.6
117.07014	4.1
121.06485	4.9
129.06987	6.1
131.04938	10.5
131.08542	5.8
143.08562	7.7
145.06511	4.1
147.04381	4.4
155.08543	7.3
157.06529	8.6
159.04417	24.9
159.08099	7.3
167.08563	4.1
169.10194	4.4
171.08017	9.4
173.05977	6.8
173.09586	3.5
175.07559	12.1
177.05470	70.9
177.06897	5.4
183.08070	8.1
185.09685	5.1
197.09663	10.8
199.07532	4.0
201.09094	8.1
204.05237	3.2
207.56813	3.3
213.09108	18.7
215.10664	52.8
217.08719	6.1
219.10248	4.1
231.10124	10.7
233.11761	23.7
241.08690	12.2
247.09749	11.5
249.11226	3.2
259.09625	18.8
277.10721	12.9
395.16925	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	412.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10054	3.3
50.72828	2.8
53.03946	6.8
55.01855	4.7
55.05516	86.6
67.05525	4.0
69.03442	5.5
71.01364	3.7
71.50475	5.7
78.62962	3.1
79.05493	4.7
79.50159	3.0
83.04987	100.0
83.97630	2.9
91.05491	22.7
93.07031	6.1
95.04972	4.9
95.08577	3.3
99.04429	8.6
105.07014	23.0
111.02036	3.3
111.82867	3.3
115.05444	5.4
117.06972	10.6
119.04959	4.4
119.08587	24.0
121.06524	6.3
125.06005	5.2
128.06242	7.8
129.07007	11.6
131.04936	11.5
133.06485	10.2
137.06027	3.6
141.06937	4.3
142.07733	4.9
143.08577	14.3
145.06442	9.2
145.10167	5.5
146.10526	3.5
147.08061	44.2
157.10144	5.1
159.08066	3.9
161.06018	7.8
161.09598	22.2
171.08063	10.3
173.06007	11.9
173.09735	3.5
175.07635	17.4
179.07025	8.9
185.09598	8.8
187.07585	7.7
189.09132	42.2
193.08609	6.0
197.09720	3.9
198.09924	3.7
199.07602	6.2
201.09123	4.4
203.10675	5.1
207.10237	3.5
213.09142	15.4
215.06908	4.1
217.08583	31.1
229.08482	4.0
231.10155	44.0
235.09790	9.1
241.08595	13.8
249.11281	6.9
259.09720	50.5
277.10721	99.7
323.16476	3.7
325.84995	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	412.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.4
55.05517	69.8
56.69596	2.2
66.04697	1.8
67.05493	2.8
69.03417	3.6
69.07067	2.7
70.06583	1.8
70.14132	9.2
79.05467	2.9
81.03417	3.0
81.07043	2.9
83.04984	100.0
83.49942	1.9
85.02901	2.3
86.06056	3.9
87.04457	2.1
91.05473	6.4
93.07047	5.6
95.08606	3.6
97.06522	2.7
98.06070	2.1
98.15382	1.9
103.05466	1.9
105.07014	5.5
107.08566	2.9
109.06477	2.5
109.36441	2.0
115.05474	4.0
116.10704	2.3
117.06998	6.0
119.08562	4.7
121.06509	3.7
128.06178	3.1
129.07016	8.6
131.04904	1.8
131.08543	6.0
133.06537	2.2
135.08055	4.0
141.07008	4.0
142.07716	2.6
142.08708	4.0
143.08592	10.5
145.06470	4.3
145.10141	5.2
147.08080	3.0
152.06181	2.0
153.06940	2.2
154.07903	2.0
155.08536	8.0
157.06467	3.3
157.10152	6.3
159.08029	6.5
161.06021	2.3
167.08546	8.8
169.06523	2.4
169.10161	2.8
170.07217	2.5
171.08046	12.2
173.05968	4.6
173.09608	6.7
175.07564	13.0
182.15436	4.2
183.08084	5.9
184.13310	3.7
185.05981	2.9
185.09695	13.1
187.07654	2.5
189.09097	3.8
195.06548	7.1
195.08087	6.4
199.07542	5.9
201.09102	12.3
208.13312	4.1
208.89906	2.0
210.05544	2.4
212.16469	10.1
213.09111	21.7
217.08548	4.2
219.10045	2.3
226.14420	2.9
229.08617	7.0
231.10144	13.2
233.11813	6.1
241.08594	30.8
244.15494	22.3
247.09688	23.5
259.09668	28.2
277.10770	8.2
377.16391	3.1
395.16959	14.4
403.38428	1.9
410.07486	1.8
412.27054	15.5
413.17859	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	411.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.05512	11.8
57.07058	2.5
59.03022	1.0
65.03925	1.6
67.05509	24.5
69.03437	1.6
69.06726	1.9
69.07072	19.7
69.21352	12.8
71.04977	1.9
71.08633	1.5
79.05495	18.3
81.06590	2.5
81.07059	45.7
83.04985	2.8
83.08614	8.3
85.02908	4.9
85.06552	1.5
86.90058	1.1
91.05487	11.9
93.06482	2.5
93.07048	43.7
93.35658	1.0
94.16744	1.1
95.05000	1.4
95.08611	100.0
97.06516	1.5
97.10167	6.7
105.07037	26.1
107.08599	74.3
109.10160	41.4
109.10917	1.4
111.08079	1.9
111.11736	1.7
119.08587	38.2
121.10146	54.0
123.08081	2.0
123.11726	16.1
125.09626	1.9
131.08588	4.1
133.10135	20.8
135.08046	1.8
135.11694	26.9
136.05502	1.3
137.09602	2.4
137.13226	3.4
139.11203	1.7
143.08591	1.4
145.10146	9.4
147.11679	18.1
149.13268	31.6
151.07593	7.1
151.11218	1.6
151.14818	2.1
157.10149	2.2
159.11674	8.4
161.13266	18.9
163.11232	1.5
163.14830	54.8
165.12767	1.5
169.10216	1.4
171.11691	1.5
173.13298	4.8
175.14818	20.1
177.12762	2.5
177.16408	18.5
179.14371	6.9
185.13289	1.3
187.14859	10.9
189.16376	26.4
191.10727	3.6
191.14417	1.8
191.17955	16.3
201.16339	7.0
203.17986	28.2
205.15999	1.9
205.19537	4.6
207.17450	5.7
215.17987	4.7
217.19522	6.6
221.15489	1.4
229.19502	3.3
231.21094	16.2
233.19064	5.2
233.22665	2.7
243.21161	2.5
247.20776	1.6
277.61688	1.1
297.25848	8.6
315.26895	4.5
341.28409	1.3
393.35193	10.9
411.28268	2.4
411.36261	60.3
412.36679	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	411.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.8
55.05513	52.2
57.07083	37.7
61.02917	6.6
65.03939	4.1
67.05503	58.6
69.03399	4.0
69.07072	66.4
70.71356	12.7
71.08633	20.5
79.05497	69.5
81.07063	89.3
83.04969	17.0
83.08632	36.8
85.10186	8.7
91.05484	84.1
93.07053	56.5
95.04948	9.8
95.08619	62.5
97.06531	12.3
97.10161	32.9
105.07041	100.0
107.04961	37.4
107.08588	26.4
109.06502	8.8
109.10162	32.1
111.11715	13.4
117.07015	12.6
119.08586	77.0
121.06522	48.2
121.10171	21.3
123.08070	14.7
123.11710	14.3
125.05978	11.9
125.13219	4.9
128.06169	4.7
129.07008	11.6
131.08582	13.5
133.06505	18.4
133.10144	44.5
135.04477	7.8
135.08052	6.0
135.11713	9.6
137.02333	6.7
137.05992	10.2
137.13251	8.3
139.07545	16.1
143.08533	10.4
145.10092	9.9
147.04437	4.7
147.08047	29.5
147.11714	23.8
149.09616	5.8
149.13184	6.7
151.07564	11.2
153.05457	16.5
155.03429	7.7
157.10121	15.5
159.11705	9.3
161.09604	16.7
161.13255	16.8
165.05482	20.5
165.09082	26.8
171.11725	8.0
173.09686	7.2
173.13200	6.0
175.07507	4.6
175.11127	6.9
175.14804	8.3
179.10698	8.0
185.13219	6.1
189.09087	5.4
193.12291	7.9
257.10471	4.9
287.27332	28.4
315.69290	4.6
329.28360	11.1
347.29492	29.3
357.27979	11.4
375.28986	16.3
411.28583	12.0
411.36417	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	411.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
53.49735	2.0
55.01874	4.4
55.05278	2.5
55.05517	36.6
57.07074	17.1
59.16767	1.9
62.47351	1.9
65.03924	2.4
67.01850	4.9
67.03047	1.8
67.05507	55.4
68.99790	52.7
69.03453	2.4
69.06734	2.8
69.07074	43.0
70.71058	3.5
70.71371	3.0
71.04998	3.8
71.08625	10.0
74.77605	1.7
79.05492	14.8
81.03405	6.7
81.07063	70.6
83.04970	13.9
83.08151	2.6
83.08623	35.3
85.10175	5.3
87.00797	2.3
87.04469	2.4
87.89067	1.8
91.05479	8.1
93.07043	12.3
95.04974	4.3
95.08612	78.4
97.02888	3.6
97.06519	7.8
97.10168	34.1
99.04417	2.0
103.31406	2.3
105.07022	10.4
107.08588	6.7
109.06490	4.1
109.09483	2.9
109.10165	36.6
111.00810	100.0
111.04431	8.6
111.08052	2.1
111.11717	12.7
119.08566	7.7
121.06476	2.2
121.10159	6.4
123.04430	3.0
123.08059	5.4
123.11706	18.3
125.13265	2.9
127.03923	83.8
129.07008	1.9
131.08621	3.8
133.06522	3.6
133.10120	8.4
135.11705	4.0
137.09618	3.9
137.13266	9.5
139.03903	26.2
145.10211	2.3
146.38512	1.8
147.11685	4.8
149.13290	2.7
151.07567	2.7
151.14854	5.0
153.05466	11.3
155.03351	5.2
159.11716	2.5
167.07074	2.7
175.14804	2.4
181.08723	3.0
189.08813	2.6
189.64688	1.9
195.10188	2.9
209.11690	3.5
223.13278	4.1
235.13142	3.1
237.14746	2.9
249.14806	3.4
249.25766	6.6
263.16324	3.8
265.17996	2.8
267.26797	5.3
273.25671	4.5
277.18149	2.6
279.19382	3.7
291.19568	4.1
291.26901	4.7
305.21152	2.5
319.22876	2.8
324.96262	2.2
333.27893	10.3
357.27966	2.4
375.28964	49.8
393.30002	36.4
411.28537	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	411.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.05514	24.1
55.91097	2.0
57.07074	6.2
59.87311	1.5
67.05510	32.7
67.82315	1.4
69.03132	1.9
69.03433	20.7
69.07076	25.1
69.14957	18.0
71.01341	5.8
71.04996	6.0
71.08628	4.3
73.04699	1.6
79.05493	12.6
81.03428	2.7
81.07062	40.1
81.33836	1.6
83.04976	6.2
83.08621	14.7
85.02911	100.0
85.06555	3.5
85.10184	2.2
91.05473	7.9
93.07043	15.2
95.04972	10.9
95.08625	38.2
95.09240	2.1
97.06522	8.6
97.10149	8.5
103.03928	3.5
105.07039	7.1
107.04964	4.7
107.08593	8.6
109.06541	5.9
109.10165	17.7
111.04465	18.2
111.08061	2.0
111.11726	2.9
113.06010	9.4
117.07011	2.1
119.08602	7.1
119.18305	1.8
121.06528	3.8
121.10128	9.9
123.08093	2.1
123.11727	8.3
125.09660	1.6
127.07556	12.5
127.50696	1.7
131.08626	3.8
133.10165	4.1
133.89496	1.6
135.08067	1.9
135.11707	5.9
136.23946	1.6
137.13252	1.8
143.08487	2.2
145.10153	3.4
147.11739	3.3
149.13226	4.1
151.11302	2.3
163.14780	2.3
165.20229	1.7
169.10127	2.3
177.16357	1.9
242.65858	1.9
261.11179	2.2
265.25272	2.7
275.27264	3.9
299.27277	3.4
313.21933	1.7
317.28391	8.8
331.30011	3.7
333.31479	4.5
349.31064	2.7
355.22690	2.4
375.32599	47.0
376.32916	1.8
393.33658	77.7
394.34076	3.1
403.59894	1.8
411.28915	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	411.311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.2
55.05273	4.6
55.05518	60.6
56.75515	2.6
57.03428	3.8
57.07066	13.0
63.53569	3.1
67.01868	11.3
67.05240	2.7
67.05515	34.4
68.99460	4.0
68.99802	45.3
69.03439	6.2
69.07075	57.3
69.37801	2.9
69.49209	20.4
71.04985	3.8
79.05503	13.8
81.03421	5.8
81.07064	52.3
83.04982	10.7
83.08630	34.4
91.05489	13.0
93.07052	27.0
95.04955	7.0
95.08614	42.9
97.06516	11.8
97.10168	18.0
99.04457	3.7
105.07026	16.5
107.08588	14.6
109.06564	6.1
109.10174	28.8
111.00822	80.1
111.04459	14.1
111.08123	4.3
111.11728	9.9
117.06996	4.2
119.08644	16.7
121.06448	4.0
121.10123	14.2
123.04453	3.3
123.08047	5.6
123.11700	13.2
125.06004	4.1
125.13316	3.8
127.03932	61.0
129.07025	5.9
131.08603	8.7
133.06432	3.7
133.10138	12.0
135.08081	5.4
135.11725	5.7
137.13264	3.3
139.03925	36.7
139.07492	3.8
143.08537	4.3
145.10162	9.0
147.08051	3.9
147.11722	6.2
151.07500	5.1
153.05457	5.7
155.36913	2.8
157.10129	6.3
159.11711	5.4
161.13281	4.0
165.09137	4.4
167.06995	5.2
174.97665	3.0
175.11317	4.2
175.14838	6.7
181.08577	5.7
184.07344	3.7
195.10252	7.6
209.11732	10.1
216.71773	3.1
217.05058	3.6
222.15656	3.4
223.13278	6.4
235.13240	4.1
237.14951	7.1
249.14900	7.8
251.16389	8.5
263.16580	7.8
265.18015	5.1
271.16742	3.5
279.19693	6.1
293.21176	5.3
305.21219	5.8
319.22693	6.0
333.27753	4.3
337.14203	3.7
357.27826	6.9
375.28958	45.2
393.30029	100.0
394.30014	3.7
411.17984	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	411.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.6
55.01881	8.9
55.05518	69.4
55.53062	1.7
55.87444	2.3
57.03425	2.7
57.07077	19.1
65.03942	2.4
67.01878	16.5
67.05186	3.1
67.05514	47.2
68.99444	3.5
68.99798	54.3
69.03443	3.5
69.07076	73.0
69.19817	6.1
69.20235	12.7
71.04977	2.8
71.08633	8.3
75.65486	1.8
79.05492	16.1
81.03413	7.2
81.06591	3.7
81.07067	63.5
83.04991	14.7
83.08161	3.0
83.08630	42.6
84.08160	11.9
85.02919	4.6
85.10179	5.3
87.00847	4.1
91.05489	14.6
93.07056	23.2
95.04982	7.8
95.08617	60.6
97.02901	4.1
97.06544	15.6
97.10182	32.9
98.21557	3.9
99.04449	4.7
99.08068	2.1
103.03968	2.2
105.07045	12.9
107.04964	5.4
107.08606	17.9
108.91571	1.9
109.02885	2.3
109.06506	6.2
109.10170	35.0
111.00818	100.0
111.04460	14.3
111.08088	8.3
111.11736	12.8
114.90691	1.9
117.07025	2.7
119.08591	10.9
121.06503	5.7
121.10156	17.2
123.04463	3.8
123.08094	5.7
123.11729	17.2
123.27770	1.9
125.05999	5.8
125.09654	3.4
126.03191	1.9
127.03934	84.8
129.01863	6.0
129.07024	1.8
129.79955	2.0
131.08554	4.7
133.06474	2.2
133.10129	11.0
135.08058	3.6
135.11678	9.4
137.05934	2.1
137.09622	4.6
137.13260	6.5
139.03926	52.2
139.07498	3.5
139.11182	2.6
143.08595	2.1
145.10083	4.0
147.08075	4.1
147.11774	9.3
149.13249	4.2
151.07681	2.2
151.11243	2.3
151.14856	3.8
153.05449	4.0
153.09155	4.1
157.10106	2.8
161.09602	2.1
161.13239	2.4
163.11143	2.3
163.14833	2.3
165.09109	4.8
167.07072	5.0
167.10670	3.1
171.11674	2.6
173.09599	2.5
174.06998	2.0
175.11183	2.5
175.14821	1.9
177.12790	2.6
179.10707	2.9
179.17952	2.4
181.08614	5.2
181.12221	3.0
185.13208	2.0
189.12706	2.8
193.08559	2.1
193.12253	2.6
195.10179	6.5
203.18054	2.3
209.11768	8.7
209.15456	2.4
221.11765	3.2
223.13301	11.7
231.13870	2.7
235.13313	3.6
236.81421	2.1
237.14864	11.8
249.14848	6.7
249.25816	4.4
251.16412	12.1
251.20227	1.9
261.11133	2.2
263.16394	7.5
265.17947	10.1
267.26849	6.1
273.25845	5.9
275.76141	1.9
277.17996	6.8
278.76056	1.8
279.19601	10.9
285.28146	2.0
291.19525	5.2
291.26822	7.8
293.21115	5.8
305.21030	9.1
315.26733	2.1
319.22800	4.1
333.24484	2.5
333.27878	12.2
351.28757	2.8
357.27948	3.9
375.28961	47.8
393.30026	71.0
401.29538	1.8
411.18442	2.2
411.31140	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	411.2016
Annotation	11beta,13-Dihydroglucozaluzanin C
Peak:m/z	Relative Intensity
51.01151	1.0
53.03950	2.8
55.01872	2.3
55.05515	2.8
57.03432	3.5
57.07071	2.8
61.02938	7.8
62.23659	1.1
67.05509	9.8
69.03085	1.8
69.03435	25.1
70.06582	1.8
70.63624	3.3
71.05004	2.2
73.02923	1.7
79.05518	2.7
81.03423	8.4
81.07070	4.2
83.01356	1.4
83.04986	2.2
84.08150	1.2
85.02911	47.0
85.06548	15.0
87.04478	4.4
91.03974	3.1
91.05491	5.4
93.07047	4.4
95.04983	3.8
95.08627	2.8
97.02905	16.5
97.06561	2.1
97.54063	1.2
99.04472	2.9
101.06060	1.6
105.07030	5.4
107.08584	6.3
109.02876	7.2
109.06523	4.9
109.10156	2.3
111.04439	1.3
119.08581	7.7
121.06520	1.8
121.10152	4.4
123.08107	5.0
125.09628	1.3
127.03923	9.7
131.08595	3.3
133.10152	5.2
135.04388	1.2
135.08072	3.6
137.05991	4.1
137.09624	2.8
143.08586	2.3
145.04973	6.6
145.10156	3.5
147.08072	6.0
147.11659	2.3
149.09631	7.3
151.07484	2.7
156.09384	1.2
157.10176	2.3
159.08162	1.3
159.11678	2.9
161.09665	4.6
161.13290	6.9
162.52179	1.1
163.03941	3.0
163.07529	5.8
163.11229	1.7
165.09109	7.0
170.10933	1.1
171.11783	1.8
173.09685	4.6
174.10362	1.4
175.07588	3.4
175.11201	2.9
177.09100	10.3
185.13316	3.4
187.11201	3.6
189.09120	8.0
189.12755	11.8
191.10692	3.4
193.08690	4.0
198.10420	1.6
203.14430	5.7
205.12305	1.7
207.13849	2.9
213.12686	5.8
219.13914	1.6
231.10355	1.3
231.13828	12.7
249.14883	100.0
250.15244	3.6
411.14786	2.4
411.20206	39.3
412.20322	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2015
Annotation	Sarcaglaboside A
Peak:m/z	Relative Intensity
53.03933	1.9
55.01864	1.7
55.05508	1.7
56.33968	0.6
56.62082	0.6
57.03424	2.6
58.12678	0.6
59.04969	0.8
59.33495	0.6
61.02936	3.2
63.33509	0.6
63.77982	0.5
67.05509	1.7
69.03089	0.7
69.03436	10.9
69.07051	1.0
69.43423	5.0
71.04987	2.0
73.02895	1.3
77.92907	0.6
79.05488	1.9
81.03433	5.0
81.07059	3.6
83.01340	1.3
83.04961	0.9
85.02914	21.7
87.04470	1.9
91.03953	1.3
91.05478	1.9
93.07034	2.5
95.04948	1.1
95.08604	2.2
97.02893	8.8
99.04462	2.2
101.65518	0.7
105.07035	2.4
107.04984	0.9
107.08583	2.7
109.02872	3.2
109.10225	0.9
117.07063	0.7
119.08599	1.7
121.06488	4.5
121.10151	2.1
123.04420	1.6
123.08075	1.4
124.04804	0.9
125.05946	0.8
125.09605	1.5
127.03947	6.1
131.08589	1.0
133.10139	3.3
135.08058	2.7
137.05980	6.9
143.08501	0.8
145.04958	3.5
145.06474	0.8
145.10127	2.3
147.08052	1.7
149.06009	0.8
151.07552	7.6
153.05437	0.8
155.08591	0.9
161.06026	1.7
161.09636	1.6
162.06845	1.0
163.07562	4.3
163.11192	2.5
167.07085	0.9
173.09618	2.8
175.07616	3.7
175.11163	0.9
176.08292	1.9
177.09158	0.6
180.64766	0.7
189.09227	3.0
191.10686	100.0
192.10966	2.2
203.14095	0.8
213.12895	1.1
219.13898	0.9
231.13800	17.7
245.39737	0.7
249.14919	11.4
262.77737	0.6
363.79916	0.6
376.02039	0.6
411.14847	0.9
411.20135	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	411.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
53.81509	1.1
55.01868	3.1
55.05515	84.7
59.04992	5.1
67.05511	5.5
69.03083	1.6
69.03435	20.2
69.25028	6.8
69.25433	2.7
71.05006	1.8
71.07437	1.0
79.05488	8.7
81.07050	5.0
83.04987	100.0
85.06552	9.4
91.05485	18.1
92.15683	1.1
93.07039	7.9
95.04980	11.9
95.08607	1.6
97.02905	6.2
97.06539	3.6
97.29806	1.0
101.06013	1.2
103.05473	2.6
105.03439	1.1
105.07027	13.0
107.04957	7.1
107.08588	2.1
109.06519	2.5
111.04483	4.2
111.08076	1.4
113.06003	4.2
115.03947	4.6
115.05457	5.5
115.07574	1.3
117.07010	12.4
118.32137	1.1
119.04930	3.2
119.08581	6.8
121.06498	11.3
122.19574	1.1
123.04469	2.7
123.08049	1.2
125.05998	1.2
128.06213	7.1
129.05432	1.3
129.07024	9.6
130.07779	2.0
131.04901	2.1
131.08574	7.4
133.06508	4.9
133.10147	2.0
135.04439	5.4
135.08052	5.5
137.05959	2.1
141.07016	7.7
142.07780	3.2
142.43555	1.1
143.08571	11.0
145.06471	7.2
145.10139	9.9
147.04425	2.2
147.08067	7.8
149.06001	5.9
149.09656	1.5
149.79204	1.0
151.07553	2.7
153.05646	1.1
153.06987	5.1
153.33415	1.1
154.07791	8.9
155.08572	10.7
156.09286	2.7
156.77010	1.1
157.06508	2.4
157.10149	3.6
158.07271	1.9
159.08023	7.3
159.11751	3.0
161.05981	2.4
161.09602	4.2
163.07581	4.5
165.05492	3.2
165.06966	1.8
165.09128	2.9
166.07802	1.6
167.07193	5.0
167.08588	4.8
169.06514	1.9
169.10121	14.7
170.07384	1.2
171.08029	9.7
171.11679	3.0
173.05978	2.7
173.09669	11.7
175.07564	3.7
177.05562	1.4
178.07872	1.1
179.07091	2.8
179.08604	3.4
181.04988	1.6
181.08636	3.2
181.10118	2.1
182.07323	2.8
183.08058	3.7
185.09605	5.6
187.07570	3.4
187.11214	9.2
189.09135	4.2
191.07050	3.8
191.10689	2.1
195.09993	1.2
197.09637	15.2
199.07553	2.5
199.11227	5.0
201.09105	12.1
203.10710	3.7
205.08708	2.7
213.09125	5.4
215.10678	22.5
217.08620	6.8
217.12224	1.6
219.10181	2.4
225.09119	7.6
231.10202	5.4
233.11755	4.7
243.10185	23.8
245.11742	1.9
257.11902	2.1
261.11224	78.3
262.11676	2.2
275.12839	4.1
279.12183	6.7
293.13852	9.0
311.14941	7.9
324.86108	1.1
347.50650	1.1
411.19818	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22205	1.4
52.61329	1.3
53.03945	5.7
54.54879	1.5
55.01880	1.9
55.05518	84.1
59.04991	4.5
62.30988	1.3
66.36315	1.4
67.05502	5.9
69.03432	20.5
70.00464	6.7
71.04989	2.9
73.06535	1.8
79.05480	6.8
81.03416	1.8
81.07072	3.9
83.04989	100.0
85.02937	2.1
85.06541	7.1
91.05489	14.9
93.07072	7.4
95.04971	11.4
97.02897	6.3
97.06550	3.4
103.05475	3.7
105.07043	11.8
107.04975	4.4
107.08613	1.9
109.06499	3.4
111.04441	4.1
113.05993	3.6
115.03929	4.6
115.05463	3.3
117.07026	9.3
119.04935	3.9
119.08594	7.4
121.06535	13.2
121.72447	1.4
123.08102	2.7
128.06224	9.7
129.06995	9.3
131.08556	9.2
133.06468	5.0
133.10141	1.8
135.04422	3.6
135.08057	6.8
137.06003	1.9
141.06985	6.3
142.07761	4.5
143.08582	10.0
145.06516	9.5
145.10141	8.8
147.04456	2.0
147.08060	9.6
149.05980	5.6
149.09595	2.2
151.07576	4.3
153.06961	3.5
154.07758	7.5
155.08569	9.7
157.06439	2.4
157.10109	2.7
157.96846	1.8
159.08020	5.9
159.11699	2.8
161.05911	3.5
161.09601	4.0
163.03937	1.8
163.07570	3.3
165.05515	1.8
165.06989	2.5
166.07817	1.8
167.07050	4.3
167.08539	5.2
169.10136	12.4
171.08043	6.3
171.11757	2.1
173.06038	3.1
173.09659	10.4
175.07475	3.6
179.07083	2.7
179.08556	3.4
182.07210	3.3
183.08099	3.2
185.09636	5.2
187.07564	3.3
187.11200	5.7
189.09169	5.8
191.07059	3.4
197.09641	19.0
199.07478	3.1
199.11209	3.9
201.09137	9.1
203.10750	2.6
205.08647	3.1
213.09114	6.4
215.10712	16.0
217.08638	6.6
219.10197	3.7
225.09097	7.3
231.10146	4.6
233.11757	6.4
243.10205	20.5
261.11255	79.2
262.11618	3.5
275.12790	4.9
279.12357	6.3
293.13873	10.8
311.14975	11.9
340.16852	1.7
411.20023	3.2
437.81531	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.01864	5.4
55.05516	90.7
59.04992	3.4
65.03952	3.1
67.05505	6.1
69.03437	17.1
70.70100	4.6
70.70441	5.4
79.05501	7.7
83.04987	97.6
85.06539	7.3
91.05478	17.7
93.07046	9.4
95.04976	12.7
97.02878	5.7
99.04456	4.3
103.05470	4.3
105.07032	11.2
107.04966	6.0
109.06514	4.5
113.06029	6.0
115.03905	4.1
115.05469	5.1
117.06988	9.6
119.04987	3.8
119.08578	5.4
121.06549	13.1
123.04424	4.3
123.08066	3.2
125.05928	2.8
128.06230	6.8
129.07008	10.7
131.08568	7.5
133.06464	2.7
135.04396	4.3
135.08040	4.8
137.05989	4.5
141.06995	8.9
142.07814	3.8
143.08580	11.5
145.06505	7.4
145.10136	8.8
147.08073	10.0
149.05966	5.6
153.07018	5.8
154.07800	10.1
155.08575	15.0
157.06451	4.8
157.10204	3.4
159.08102	10.1
161.09613	5.0
163.07642	4.2
165.07001	3.0
165.09120	2.8
167.07082	5.4
167.08548	9.0
169.10133	16.6
171.08098	7.4
172.92921	2.7
173.06125	2.8
173.09677	12.3
174.71469	3.0
175.07593	4.5
179.08551	2.8
183.08070	3.8
185.09604	6.9
187.11157	10.0
189.09138	5.9
191.07071	3.0
197.09633	20.0
199.11298	2.7
201.09134	11.0
203.10698	3.5
213.09158	4.9
215.10695	22.0
217.08636	9.7
219.10245	5.0
225.09064	9.4
231.10162	6.2
233.11723	6.9
243.10184	25.5
261.11237	100.0
262.11795	3.2
275.12717	5.5
279.12228	8.4
293.13800	12.3
311.14890	13.4
373.69513	2.7
426.16357	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	410.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26060	22.3
55.05518	56.6
67.05504	71.9
67.73051	22.5
79.05489	55.3
81.07064	83.4
83.05002	48.6
89.96736	31.5
91.05486	62.5
93.07070	36.4
95.08635	36.8
105.07027	100.0
107.08578	57.8
109.10143	55.6
119.08604	48.0
127.11221	30.1
131.08554	42.7
133.10106	32.7
143.08702	38.7
144.08337	25.8
145.29594	27.3
150.63197	25.0
157.10216	26.7
157.71895	26.1
161.06006	30.2
184.07349	28.7
185.09630	26.2
268.32809	27.9
410.19705	27.1
411.18158	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	411.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.7
61.02922	2.1
64.61239	1.2
67.05502	1.3
69.03432	6.5
69.07052	1.2
71.04979	2.8
71.40128	1.9
71.40485	1.9
79.05479	3.2
81.03416	3.2
81.07047	3.4
83.04986	2.1
85.02908	11.6
87.04469	1.4
91.05481	4.9
93.07037	2.2
93.24278	1.1
95.04983	3.1
97.02895	5.3
99.04459	7.0
103.05473	2.0
105.07039	3.4
107.04936	2.2
109.10163	1.7
117.07035	2.5
119.04929	1.5
119.08629	1.5
121.06483	1.3
127.03866	1.7
128.06189	2.2
129.07008	3.2
131.08583	1.5
133.06517	2.2
135.04492	2.2
135.08015	1.7
137.05994	1.4
141.06982	1.7
144.05688	1.7
145.06488	3.0
145.10144	1.8
147.04445	1.5
147.08032	2.2
148.19080	1.4
151.07539	4.5
157.06491	1.3
157.10133	2.1
158.07259	1.8
159.08040	8.0
161.06010	2.5
161.09636	3.4
163.03876	2.0
163.07590	11.2
171.08049	1.9
172.08797	2.4
173.05983	3.2
173.09581	3.2
174.06795	3.1
175.07542	3.8
175.11198	3.4
177.05472	15.9
185.09680	1.6
187.07503	5.9
188.08330	6.0
189.05495	9.9
189.09175	6.1
195.06528	2.5
201.08939	1.4
202.09946	3.6
203.10645	11.6
213.09149	2.0
216.07748	1.8
229.13458	1.4
231.10179	37.2
231.13763	2.0
249.11240	100.0
250.11449	1.5
268.16147	1.4
411.19907	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1998
Annotation	(+)-Picriside B
Peak:m/z	Relative Intensity
55.05501	0.7
60.69066	0.5
63.16421	0.6
65.56885	0.6
67.05513	0.9
69.03439	1.8
70.06584	2.5
71.05000	0.9
71.49532	0.9
72.08137	0.9
73.02953	0.6
79.05486	1.0
81.03419	0.9
81.07052	1.0
81.40821	0.6
84.08130	0.6
84.76564	0.7
85.02909	4.1
87.00846	0.9
87.04498	0.7
87.41475	0.6
88.16223	0.7
91.05488	0.8
97.02885	1.2
105.07037	1.4
106.99534	0.6
107.08624	0.7
109.06509	0.8
115.70468	0.5
116.72346	0.6
119.08586	1.0
121.06491	0.8
127.03938	1.2
132.95541	0.7
135.08089	1.4
137.06004	1.1
143.08585	1.2
145.06418	0.6
151.07585	1.4
161.09537	0.8
163.07607	2.9
175.07574	2.7
177.09229	1.1
189.09106	5.4
191.10745	2.4
197.13042	0.7
203.05315	3.9
203.10623	0.7
205.08554	0.9
215.10840	0.7
231.13681	5.3
249.14992	2.3
411.19958	100.0
412.20258	3.5
429.19827	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2014
Annotation	Scorzoside
Peak:m/z	Relative Intensity
50.53972	2.0
51.96693	2.5
53.03949	3.8
55.01876	2.9
59.99535	2.2
61.02920	3.4
64.00791	1.9
67.05495	7.2
69.03426	15.6
69.07076	2.9
70.06588	11.6
71.04997	4.8
71.49914	3.5
71.50305	2.2
73.67764	2.3
76.18246	1.9
79.05500	4.3
81.03419	8.8
81.07090	5.1
83.01370	2.5
83.04996	2.4
83.08630	2.1
84.04500	2.3
84.08141	6.3
85.02913	32.8
87.04440	2.5
91.05497	7.4
93.07051	4.2
95.05003	3.0
95.08599	4.0
96.66415	2.0
97.02892	9.8
98.97594	2.6
105.07008	5.3
107.04950	3.0
107.08576	3.4
109.02917	2.8
109.10194	3.2
115.05453	2.0
119.04990	2.9
119.08596	6.6
120.69241	1.9
121.06518	6.1
121.10098	3.7
123.04498	2.8
123.08076	2.1
127.03919	7.1
128.06255	2.3
131.08536	3.3
133.10117	3.8
135.08087	4.7
137.06015	11.0
140.07124	2.4
143.08574	8.4
145.05017	2.4
145.06480	3.4
145.10143	7.2
147.08058	4.5
149.09648	4.4
151.07574	8.5
153.05486	3.5
155.17628	2.2
160.05180	2.5
161.05989	2.9
161.09624	10.8
162.09010	2.3
163.07581	11.3
167.07031	21.8
171.08081	2.6
173.09624	38.5
174.06834	5.3
175.07553	28.6
175.11015	2.3
177.05518	3.7
184.34929	2.0
185.13286	4.1
188.08286	3.7
189.09128	27.2
189.12743	5.8
191.10725	8.7
193.08643	17.7
199.11121	2.5
201.12677	2.8
203.10663	4.9
203.14310	10.4
207.10210	2.8
213.12756	6.4
227.08232	2.4
231.13834	88.4
249.12373	9.9
249.14853	100.0
269.04779	2.2
287.10364	4.3
309.14929	2.4
347.12460	3.3
393.12912	17.0
411.12131	5.0
411.20215	48.2
412.19785	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	410.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48079	0.2
57.03422	0.4
57.70609	0.2
58.42477	0.2
61.02929	0.6
69.03424	2.1
70.41877	0.9
71.04948	0.3
73.02899	0.3
81.03401	0.5
85.02914	2.1
87.04439	0.5
97.02888	0.8
98.20705	0.2
109.02862	0.3
127.03931	0.4
127.24982	0.2
133.05104	0.7
136.06180	0.7
145.04947	0.4
147.06665	0.7
148.06238	0.3
157.05112	0.6
160.06230	2.9
173.06976	0.4
174.07762	5.4
175.06155	0.6
186.03110	0.3
202.07243	3.8
204.05191	0.5
213.04077	0.5
218.06857	1.3
227.91116	0.3
230.06737	100.0
231.07123	1.6
248.07794	19.5
249.08139	0.4
260.07828	0.7
293.13293	0.3
299.56433	0.2
344.81903	0.3
410.13086	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	409.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26905	3.5
55.01870	6.4
55.05513	33.0
57.07084	29.7
61.55472	3.4
67.01864	9.6
67.05502	17.7
68.99797	54.7
69.03415	4.4
69.07071	38.9
70.30173	3.7
71.08626	19.4
71.51014	6.6
79.05484	13.1
81.03416	5.9
81.07059	28.1
83.04971	7.8
83.08634	23.6
85.10149	7.8
86.09712	14.3
87.00833	3.8
91.05484	7.3
93.07044	21.6
95.04975	5.0
95.08608	28.5
97.02890	7.9
97.06538	11.9
97.10188	12.5
105.07039	5.6
107.08604	20.9
109.06570	7.0
109.10171	10.0
111.00816	87.5
111.04459	12.3
111.08081	5.5
111.11726	4.6
117.07045	3.9
119.08569	6.0
121.10155	19.1
123.08121	4.7
127.03919	46.6
131.08588	5.5
133.10106	7.2
135.11697	11.9
137.09595	5.5
137.13197	5.3
139.03912	39.6
149.13300	6.8
151.07483	4.3
157.10101	6.3
159.11729	4.7
167.07053	5.8
181.08705	4.9
181.12114	3.8
195.10158	9.2
203.34850	4.1
209.11729	13.3
223.13248	18.1
237.14861	23.9
251.16328	22.3
265.17996	17.3
279.19568	13.6
293.21170	11.6
307.22733	10.7
321.24274	10.4
335.25742	9.1
349.31027	6.1
391.32043	100.0
392.32614	4.9
409.33258	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	409.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	11.9
57.07079	100.0
58.34818	4.4
60.88963	3.8
66.10644	3.7
67.05492	13.8
69.07059	15.0
69.23659	25.2
69.24087	14.1
71.08636	69.8
77.90331	4.4
79.05466	10.4
81.07068	27.8
83.08595	6.9
85.10184	39.4
89.06017	5.5
91.05476	9.0
93.07034	19.4
95.08609	45.5
97.10149	8.4
98.72604	3.8
99.11707	6.3
105.07021	10.3
107.08582	22.8
109.10162	24.0
114.82574	4.0
117.07037	8.3
119.08572	9.0
121.06553	5.3
121.10130	16.6
123.11694	10.0
126.86660	4.0
131.08522	12.0
133.10158	10.3
135.08075	10.4
135.11684	10.1
137.05933	6.9
137.13242	15.6
145.10138	9.2
149.05965	7.8
149.09662	9.1
149.13303	7.4
151.07541	51.5
153.09145	4.6
159.11736	5.1
161.31343	4.6
163.07561	13.2
163.11011	4.2
165.09102	33.2
167.02977	4.0
172.11499	4.4
173.09636	4.9
177.09071	35.2
179.10648	12.2
181.08672	6.4
187.11295	7.3
191.10687	15.4
195.10173	8.9
201.12782	9.4
205.12184	10.4
215.14305	6.9
219.13748	7.9
233.15291	5.0
247.16716	5.7
257.22836	7.4
304.26721	4.9
308.99918	4.3
357.16910	5.3
397.01413	4.4
409.38727	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3316
Annotation	Diacarnoxide C
Peak:m/z	Relative Intensity
52.81040	1.7
53.53906	1.5
55.01865	4.5
55.05520	13.8
57.07089	16.4
58.61047	1.8
67.01859	3.8
67.05502	8.3
68.99802	14.5
69.03439	1.9
69.06796	1.6
69.07079	18.5
69.98367	8.8
71.05037	1.8
71.08643	8.8
78.51794	1.7
79.05492	4.5
81.07072	13.9
81.56766	1.7
81.79467	1.6
83.04975	3.3
83.08626	12.3
85.10181	3.9
87.69108	2.0
91.05508	3.4
93.07062	11.6
95.08613	11.7
97.06526	8.6
97.10181	8.6
105.07077	2.9
107.08601	7.4
109.06511	2.5
109.10156	4.3
111.00817	31.0
111.04430	5.7
111.08075	3.7
111.11714	2.8
117.07047	1.7
119.08576	2.8
121.06509	3.2
121.10139	7.6
123.11702	3.0
125.05992	3.6
125.09635	3.4
127.03938	9.4
127.47572	1.9
135.08070	2.6
135.11679	4.5
138.49615	1.6
139.03915	23.0
145.10124	2.2
149.09474	2.3
149.13318	3.8
159.07965	1.5
159.11627	1.8
163.14851	2.6
167.07022	1.8
167.10713	2.6
181.08560	4.5
181.12296	2.2
195.10216	4.4
195.13937	2.3
201.67662	1.7
209.11742	7.0
223.13300	12.2
237.14885	13.7
251.16484	14.8
258.69009	2.0
264.70093	2.0
265.18030	10.9
279.19675	15.5
285.36884	1.8
293.21127	10.4
307.22696	9.6
321.24261	6.9
335.26050	8.3
349.27225	2.1
352.30453	1.7
391.32117	100.0
392.32532	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	409.295
Annotation	beta-Muricholate
Peak:m/z	Relative Intensity
55.01867	1.6
55.05516	9.1
55.35921	0.5
56.83720	0.5
57.07081	7.9
67.01859	1.5
67.05511	7.5
68.99796	8.4
69.03425	1.2
69.06729	1.0
69.07072	12.8
70.69588	1.6
71.04993	0.6
71.08628	4.6
76.28120	0.6
79.05511	4.5
81.03400	1.4
81.07064	10.1
83.04987	2.4
83.08623	7.2
85.10188	1.7
91.05482	1.9
93.07055	7.4
95.04996	1.0
95.08613	10.7
95.51203	0.6
95.88574	0.6
97.02877	0.9
97.06536	4.8
97.10171	5.2
105.07011	2.1
107.04922	0.9
107.08588	5.2
109.06517	1.1
109.10175	5.0
109.86894	0.6
111.00813	14.3
111.01556	0.9
111.04438	4.5
111.08095	2.2
111.11741	1.5
112.74483	0.6
113.02380	0.6
119.08562	2.0
121.06513	1.5
121.10149	5.5
123.08060	0.9
123.11738	1.6
125.05997	2.4
125.09623	1.8
126.03160	0.8
127.03934	5.4
131.08549	1.2
133.10153	1.1
135.08081	1.3
135.11685	4.3
137.09618	0.8
137.13281	0.8
137.41597	0.5
139.03911	13.9
139.07576	1.8
139.11218	1.5
145.10104	1.3
147.11699	1.4
149.06004	0.9
149.09607	1.8
149.13278	2.4
153.09106	2.3
157.08693	0.6
157.10191	0.6
159.11720	1.4
161.13264	0.9
163.07593	0.7
163.11201	1.1
163.14810	1.8
167.07033	1.3
167.10725	1.5
173.13222	0.7
177.12727	1.0
181.08678	1.5
181.12250	1.3
182.52325	0.6
195.10147	3.4
195.13794	1.4
199.13222	0.8
203.02760	0.6
205.19496	0.7
209.11749	2.5
209.15408	0.9
217.78868	0.6
223.13298	3.6
223.84547	0.6
237.14845	3.6
237.18497	0.7
251.16518	3.6
265.18008	2.9
278.49081	0.7
279.19586	3.1
293.21140	2.0
307.22833	1.7
321.24570	1.0
321.27850	3.0
349.27438	4.8
363.28967	15.9
373.27377	0.7
374.24893	0.7
391.28458	100.0
392.28729	4.6
404.37039	0.7
409.27350	1.0
409.34662	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2743
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03950	5.7
54.17508	2.0
55.01870	5.5
55.05515	22.3
56.48525	2.0
57.03444	4.1
57.07071	5.3
59.05021	2.4
65.03950	5.2
67.05509	23.6
67.15240	2.1
69.03441	9.5
69.07063	5.0
69.26971	3.9
69.27372	17.1
71.05011	4.2
79.05508	26.6
81.03432	3.1
81.07063	35.7
83.04986	8.4
84.08120	3.0
85.06525	2.8
91.05494	33.3
93.07050	36.9
95.04980	43.0
95.08620	22.4
97.06533	8.9
98.20832	5.4
103.05474	4.2
105.04505	2.3
105.07040	100.0
107.08598	27.6
108.05695	2.4
109.06529	7.8
109.10184	16.4
111.08134	2.5
115.05478	6.4
117.07021	16.5
119.08594	63.2
121.06516	19.5
121.10151	19.3
121.86020	2.3
123.08098	9.8
125.09595	2.9
127.11224	7.6
128.06261	5.6
129.07051	10.3
130.07788	5.0
131.08588	24.5
133.06505	4.2
133.10168	14.4
135.08061	13.2
135.11685	4.0
137.05994	4.1
137.09633	4.6
141.07045	5.4
142.07790	14.8
143.08566	17.4
144.09244	3.0
145.06477	5.5
145.10129	31.6
146.11015	2.1
147.08063	9.9
147.11700	39.2
149.09622	10.9
151.05560	2.2
151.07587	11.7
153.07007	2.4
154.07738	2.4
155.08545	8.7
156.09373	6.6
157.10152	23.1
158.10902	2.8
159.08070	8.6
159.11758	16.3
161.06006	2.6
161.09633	7.8
161.13252	4.5
163.07536	2.6
163.11253	4.9
165.07080	2.8
165.09149	18.3
167.08562	4.5
168.09418	2.8
169.10146	9.8
171.08040	3.4
171.11700	9.3
173.09607	6.5
173.13287	6.7
175.07538	2.3
175.11215	29.3
177.09137	5.5
179.08633	4.6
181.10112	4.0
183.11699	11.2
184.07333	2.7
185.09682	3.4
185.13297	5.8
187.11134	6.3
187.14894	3.0
189.12749	5.3
191.10649	3.3
193.10237	4.3
195.08197	2.7
195.11731	7.8
197.09575	3.6
197.13336	7.2
199.11192	3.5
199.14845	3.6
200.49663	2.6
201.12756	8.0
201.16425	2.8
203.14348	9.3
207.11963	2.8
207.13838	7.1
209.13383	4.3
211.14848	4.0
213.09073	4.6
213.12738	3.2
216.15132	2.3
219.13846	4.8
221.15375	36.0
223.14763	3.2
227.14436	2.5
229.15959	4.0
231.13760	4.0
233.15488	3.4
234.16219	20.9
235.15022	2.6
239.14380	2.5
243.13847	2.4
245.81340	2.3
247.14932	2.7
249.16635	2.8
253.15929	3.7
259.09952	2.6
279.14050	2.2
281.19122	2.7
286.19470	4.6
287.20203	6.9
300.20737	6.1
329.21005	2.6
383.93997	2.5
391.26376	5.2
409.19553	3.5
409.27606	36.9
432.24176	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	409.2739
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03942	4.4
55.05521	16.2
57.07077	5.5
59.04992	3.3
67.05505	13.3
69.03419	6.7
69.07075	4.9
70.87407	1.5
71.06266	3.9
71.42841	1.6
71.48788	1.9
79.05492	18.5
81.03437	2.7
81.07057	28.3
83.04964	5.5
85.06548	3.9
91.05482	30.6
93.07050	36.9
95.04972	43.7
95.08607	23.9
97.06521	5.8
105.07040	100.0
107.08604	18.2
109.06528	11.5
109.10132	4.8
113.65739	1.7
115.05463	2.8
117.07021	11.9
119.08591	58.1
121.06495	14.3
121.10146	12.4
123.08082	10.3
126.63524	1.7
128.06239	3.1
129.06985	5.4
130.07848	2.0
131.08580	18.3
132.09297	3.0
133.06528	3.8
133.10159	15.6
135.08064	11.8
135.11653	3.7
137.09641	9.1
141.06973	4.4
142.07784	11.1
143.08574	12.2
144.09355	3.4
145.06537	2.4
145.10138	33.1
145.15340	1.7
147.08057	15.3
147.11703	40.6
149.09607	12.1
151.07561	18.0
155.08598	8.6
156.09335	3.0
157.10127	16.1
159.08040	4.1
159.11667	11.2
161.09634	7.9
161.13257	4.7
163.11270	3.5
165.09129	29.8
167.08549	3.2
168.09361	3.4
169.10136	6.6
171.11688	8.0
173.09662	5.2
173.13321	6.7
175.11203	26.1
177.09192	3.1
177.15044	1.8
181.10124	4.0
183.11716	7.4
185.13329	3.9
187.11194	2.4
187.14662	2.3
189.12720	4.1
191.14322	2.0
193.10060	3.2
195.11711	3.1
197.13335	4.5
199.11169	2.5
199.14792	1.9
201.12781	7.4
201.16435	2.7
203.14403	10.8
207.13814	8.5
209.13370	2.3
209.15411	2.4
211.14841	6.4
213.12779	2.1
215.14378	3.1
216.15302	2.2
219.13838	4.0
221.13391	2.1
221.15363	49.5
223.14812	3.1
229.15927	4.6
231.13814	3.2
234.16132	14.4
242.53168	1.9
253.16032	2.4
281.19162	2.4
287.20093	6.3
289.16177	2.2
300.20972	2.8
312.81985	2.1
329.21115	5.2
391.26276	5.5
409.27365	36.2
431.53656	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	409.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41770	2.7
53.03946	6.1
55.01852	3.0
55.05519	17.7
57.07074	9.5
59.05003	3.8
67.05509	21.3
67.83854	2.7
69.03424	10.7
69.07063	8.0
70.03008	12.6
77.03958	3.3
79.05492	26.9
81.07057	33.1
83.04964	4.0
83.08620	3.3
91.05492	38.5
93.07054	50.6
95.04979	53.9
95.08626	30.7
97.06520	10.2
98.20862	4.0
103.05457	5.2
105.07044	100.0
107.08609	23.6
109.06531	16.9
109.10172	17.1
109.46305	2.8
115.05455	5.9
117.07018	12.5
119.05834	2.8
119.08594	65.8
119.12338	2.8
121.06525	18.2
121.10159	16.5
123.08084	26.9
128.06232	8.4
129.07001	7.3
130.07762	6.1
131.08603	23.2
133.06490	5.7
133.10144	21.1
135.08066	20.0
135.11662	3.4
137.09625	9.0
142.07776	13.2
143.08604	20.1
144.09352	3.8
145.10155	38.9
147.08031	16.5
147.11702	37.7
149.09628	10.5
151.07562	33.5
154.22787	3.0
155.08563	10.1
156.09387	6.6
157.10170	26.7
159.08101	6.9
159.11758	21.7
161.09595	9.8
161.13284	5.5
163.11182	7.6
163.32019	3.0
165.09140	37.2
166.07722	3.1
167.08562	3.8
168.09344	5.6
169.10103	14.4
170.10875	4.3
171.11702	15.9
173.09607	4.0
173.13281	12.0
175.11227	20.9
177.09132	5.2
181.10138	6.5
181.12193	3.1
182.10876	4.2
183.11710	13.4
185.13225	3.9
187.11215	6.3
187.14737	3.4
189.12724	9.5
193.10124	3.6
195.11737	6.6
196.12434	3.8
197.09570	2.9
201.12727	9.0
203.14255	14.2
207.13876	10.7
209.13380	4.0
209.15358	4.8
211.14798	8.9
219.13722	3.6
221.13399	5.7
221.15393	76.5
223.14743	3.7
225.16386	3.6
229.16040	7.5
234.16258	14.5
235.59140	3.1
286.19339	5.1
287.20114	7.0
300.20886	3.7
303.19431	3.1
318.10580	3.2
329.21060	6.1
391.26489	6.7
402.92392	2.9
409.27435	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19465	1.2
53.03941	5.1
55.01875	1.8
55.05515	17.4
57.07083	6.5
59.05010	2.8
60.48719	1.3
65.03937	1.8
66.21835	1.3
67.05511	18.4
69.03431	6.3
69.07061	5.1
71.04985	2.3
71.10596	1.3
71.11395	1.4
71.11742	2.7
79.05499	20.7
81.03426	3.1
81.07065	26.6
83.04971	4.5
83.45337	1.3
85.06548	3.6
91.05487	36.9
93.07053	36.4
95.04374	2.5
95.04974	51.8
95.08617	24.7
97.06527	5.8
103.05455	2.9
105.04508	1.7
105.07040	100.0
107.04977	1.8
107.08605	19.3
109.05936	1.0
109.06549	9.6
109.10165	6.0
115.05454	3.6
116.06232	1.5
117.07027	12.8
118.07832	2.2
119.04927	3.2
119.08591	61.3
121.06507	15.2
121.10165	12.0
123.08092	13.1
125.06032	1.8
127.18853	1.1
128.06232	3.9
129.07001	9.4
130.07811	3.2
131.08583	18.5
132.05745	1.3
132.09370	1.6
133.06506	4.8
133.10143	14.3
135.08063	13.3
135.11705	3.7
137.05971	2.6
137.09628	8.7
139.08856	1.3
141.07019	5.4
142.07755	11.0
143.08586	11.8
144.09409	2.7
145.06483	3.2
145.10133	31.9
147.08078	16.3
147.11697	38.3
148.08786	1.3
149.09621	11.6
150.10353	1.4
151.07562	18.1
153.07043	1.5
153.09166	2.3
154.07729	2.9
155.06084	1.2
155.08548	4.2
156.09354	4.6
157.10152	17.4
159.08078	6.5
159.11705	11.9
160.08769	1.6
161.09648	7.6
161.13243	3.6
163.11192	4.7
165.09135	30.6
168.09323	4.5
169.10152	9.0
170.10948	2.8
171.08018	1.9
171.11728	8.2
173.09596	6.0
173.13281	5.6
175.11201	28.9
175.15010	1.4
177.09108	5.5
178.09940	3.2
180.09364	2.2
181.10129	2.6
181.12180	1.9
182.10800	1.3
183.11696	10.3
185.13312	6.2
187.11186	4.0
187.14856	3.1
189.12749	4.6
193.10078	2.7
195.11700	3.1
197.13257	3.2
199.11148	2.8
199.14812	2.5
201.12787	8.3
203.14354	11.2
207.13826	7.0
208.12543	1.8
209.13289	3.1
209.15306	3.0
211.14828	5.0
215.14362	4.7
216.15070	2.1
219.13802	5.5
221.13622	2.1
221.15378	58.0
229.12358	2.3
229.15919	4.9
231.13788	4.6
233.13312	1.8
233.15421	3.1
234.16138	16.5
237.16394	2.6
243.13806	1.4
253.15851	1.8
285.18567	1.6
286.19385	4.3
287.20123	7.4
299.19955	1.3
300.20789	4.5
312.20596	1.8
329.21158	5.8
335.20013	2.0
365.02441	1.3
388.47458	1.5
391.26303	4.1
409.27365	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
53.60936	2.2
55.05520	18.9
57.07070	9.3
59.04992	4.2
64.94516	2.2
65.03929	2.6
65.90149	2.0
67.05511	18.3
69.03430	7.5
69.07059	9.4
69.26180	17.0
69.26585	5.6
70.73758	2.4
79.05493	20.7
81.07064	38.1
83.04958	5.3
85.06544	6.2
87.12529	2.0
91.05485	41.7
93.07047	51.4
95.04979	49.8
95.08611	32.4
97.06554	12.1
98.21462	4.8
103.05489	4.7
105.07037	100.0
107.08606	31.2
109.06541	15.0
109.10159	9.3
113.77570	2.5
115.05473	4.5
117.07007	15.1
119.08582	75.6
120.09367	2.9
121.06542	18.5
121.10166	18.5
123.08054	19.9
128.06235	6.0
129.07019	10.9
130.07809	7.5
131.08577	24.9
132.09384	3.0
133.06512	4.1
133.10126	28.7
135.08017	15.2
135.11688	4.7
137.09608	11.2
138.52852	2.3
141.07005	5.8
142.07788	13.7
143.08580	20.8
144.09380	4.7
145.06487	4.2
145.10135	44.9
145.94084	2.6
146.10922	4.7
147.08054	24.4
147.11700	36.9
149.09621	12.2
151.07567	21.8
153.07016	2.7
153.09100	3.4
153.99849	2.5
155.08560	10.0
156.09326	5.8
157.10127	24.7
159.08070	6.9
159.11708	19.3
160.08826	2.7
161.09608	9.7
161.13261	6.1
163.11191	4.1
165.09125	40.4
167.08534	2.6
168.09349	5.8
169.10156	9.2
170.10902	5.2
171.11696	13.9
173.09631	5.9
173.13297	5.9
175.11237	24.4
178.09908	3.9
181.10071	5.8
183.11713	13.9
185.13297	10.5
187.11192	4.9
189.12744	7.3
191.14375	4.2
193.10194	3.2
195.11685	8.3
197.13229	6.1
199.11224	3.6
199.15045	2.9
201.12730	8.9
201.16441	4.1
203.14351	17.1
207.11812	4.4
207.13823	9.6
209.13228	5.5
211.14842	7.9
213.12671	4.4
215.14316	3.7
219.13750	4.3
221.13318	3.4
221.15363	72.2
223.14900	3.0
229.15976	4.8
231.13591	3.0
233.15334	3.5
234.16104	13.7
235.14783	4.5
251.14214	2.4
253.15985	3.5
257.15503	2.8
286.19266	3.3
287.20068	7.1
300.20776	9.3
329.21017	4.9
335.20163	3.3
391.26398	4.9
409.27402	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	409.274
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
51.20575	2.6
53.03946	6.2
55.01868	3.5
55.05510	16.3
57.03430	5.5
57.07075	8.0
59.05013	5.8
65.03936	3.8
67.05508	35.1
69.03424	10.6
69.07056	9.4
71.04996	3.3
71.51814	5.1
75.04401	2.9
79.05488	28.6
81.03400	2.8
81.07066	43.2
83.04964	7.4
83.08638	2.8
85.06551	5.7
91.05482	53.7
93.06492	4.4
93.07048	61.9
95.04977	44.6
95.08608	31.1
97.06520	10.5
105.07035	100.0
107.04981	3.4
107.08591	39.0
109.06534	15.3
109.10166	21.3
115.05478	5.9
117.07061	20.9
119.08590	59.8
121.06522	24.6
121.10167	18.5
123.08071	25.0
125.09631	4.3
127.11208	5.9
128.06227	7.1
129.06970	10.5
130.07750	3.8
131.08569	27.2
133.06526	4.9
133.10132	25.2
135.08067	20.7
135.11649	7.0
137.09605	9.8
141.06947	7.2
142.07787	10.5
143.08568	20.2
144.09239	6.5
145.06490	4.7
145.10124	39.7
147.08041	29.3
147.11649	26.0
149.09641	6.8
151.07547	24.0
153.09131	4.1
155.08516	12.9
156.09296	6.1
157.10164	28.8
158.10837	3.7
159.08104	15.0
159.11693	23.5
160.08730	3.5
161.09619	10.2
161.13271	6.3
163.11176	6.9
165.09131	45.7
167.08563	6.5
168.09383	4.5
169.10144	12.3
170.10953	4.2
171.08057	4.2
171.11702	9.7
173.09587	17.7
173.13263	9.8
175.11159	20.1
177.09142	4.0
180.09421	3.8
181.10193	4.8
183.11627	15.5
185.13280	5.6
187.07507	5.2
187.11224	8.7
187.14841	4.8
189.09140	14.7
189.12830	8.1
189.39717	3.0
195.11702	5.4
197.13353	4.9
199.11191	8.6
200.11771	3.6
201.12727	21.4
201.16338	4.6
203.10641	20.8
203.14294	19.4
205.12177	5.5
207.13878	9.9
207.19536	3.3
209.13284	7.5
209.15239	3.8
211.14856	8.4
213.12865	6.4
215.10608	3.5
215.14233	6.5
217.12285	5.9
217.29849	3.1
221.13422	3.4
221.15379	83.3
222.15752	4.9
225.12785	5.1
227.14418	6.0
229.12296	24.5
229.15836	9.6
234.16225	7.7
241.12251	3.9
243.13820	12.9
285.18506	46.5
286.19217	4.1
287.16431	2.9
287.20029	8.8
297.18362	11.5
300.20679	6.6
329.21036	7.4
391.26123	10.8
409.19836	4.6
409.27356	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	409.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27836	0.4
55.05500	2.0
56.50025	0.5
60.04530	7.7
69.07070	0.6
70.02946	0.6
70.06596	0.5
71.50816	0.7
72.08163	24.7
76.28152	0.5
77.87299	0.4
84.08146	0.7
84.51010	0.5
85.02916	0.7
86.09709	1.6
87.05603	6.5
91.05485	0.9
93.07040	1.0
96.08146	1.2
97.02943	0.5
97.06543	0.5
98.97568	1.5
103.05467	0.7
105.07039	0.9
109.06557	0.5
109.10184	0.8
114.09189	7.5
119.08611	0.7
120.08119	19.7
129.10233	0.9
131.81421	0.5
133.10150	0.9
137.09677	0.5
147.11682	0.5
159.11310	41.5
166.08662	10.2
167.08939	0.4
177.10258	4.9
187.10806	11.1
209.03043	0.5
221.57040	0.4
223.10788	14.2
224.11113	0.6
229.12233	0.8
244.12912	2.4
247.13130	0.6
332.16306	0.8
363.69849	0.5
409.18365	100.0
410.18622	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	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69009	2.2
53.03944	4.8
55.01876	3.0
55.05525	20.1
57.07079	7.3
57.33693	2.3
59.19014	2.5
67.05516	23.7
69.03436	7.4
69.07071	7.4
69.36033	21.7
79.05488	23.3
81.07068	36.7
83.04992	6.9
85.06546	4.2
87.26607	2.5
91.05488	33.7
93.07054	44.1
95.04980	54.1
95.08607	30.0
97.06545	11.6
103.05540	3.6
105.07043	100.0
107.08588	28.0
109.06524	8.3
109.10183	12.8
111.08111	4.8
115.05463	4.0
117.07034	12.1
119.08596	64.7
120.09334	3.3
121.06511	20.2
121.10165	16.4
123.08083	15.3
125.06013	3.3
128.06213	6.4
129.07022	7.9
130.07793	3.6
131.08598	19.3
133.06590	5.9
133.10107	18.8
135.08058	12.9
135.11668	4.1
137.09596	10.8
141.07030	7.1
142.07797	11.4
143.08568	16.1
145.10144	40.6
147.08067	23.7
147.11694	32.0
149.09636	11.5
151.06398	4.0
151.07535	23.4
153.06964	2.5
155.08580	9.1
156.09334	4.4
157.10170	26.0
159.08011	4.6
159.11696	16.1
161.09648	8.0
161.13237	4.5
163.11212	4.6
165.09128	37.0
168.09377	3.4
169.10138	12.2
171.11719	9.5
173.09589	8.9
173.13231	7.5
175.11194	25.6
177.09166	6.7
178.09857	3.6
179.08676	2.9
181.10078	4.8
182.10881	5.2
183.11755	13.5
185.13275	4.9
187.11166	3.2
189.12727	5.9
191.14276	3.1
199.11217	4.0
201.12802	9.0
203.14319	14.2
207.13831	7.6
209.13486	3.7
209.15381	5.0
211.14806	6.2
219.13701	3.7
221.15378	78.8
223.15033	3.3
225.12543	3.5
229.15862	5.0
231.13866	3.8
233.15388	4.0
234.16185	11.7
253.15805	3.4
286.19305	3.9
287.20026	8.5
300.20752	5.6
329.21353	3.2
349.83975	2.6
373.31485	3.0
391.26358	4.4
409.27463	46.4
421.80624	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	409.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.7
55.01873	10.0
55.05514	99.5
59.04999	12.5
59.05264	5.1
61.42343	5.2
65.03927	7.8
66.06101	6.4
69.90617	26.8
71.04985	6.2
79.05502	19.8
81.03429	6.7
81.07038	6.3
83.04983	100.0
83.18053	5.0
85.06530	15.7
91.05482	49.2
93.07040	13.0
95.04962	15.4
99.04473	12.4
99.08109	5.9
103.05452	11.6
105.07037	31.4
107.04967	8.8
111.04469	11.5
115.05450	16.8
117.07036	31.8
119.08572	15.7
121.06503	22.3
128.06230	34.4
129.07048	28.6
131.04919	9.7
131.08592	12.6
133.06529	6.3
135.04434	5.4
135.08084	28.6
141.06999	27.2
142.07784	38.2
143.08591	37.7
145.06473	21.2
147.04497	6.0
147.08131	5.8
149.06007	19.6
152.06223	21.8
153.06990	13.6
154.07732	15.4
155.06041	7.8
155.08533	18.7
157.06512	10.4
157.10132	24.7
157.52745	5.7
159.08052	17.1
161.05966	22.9
161.09630	9.3
163.07545	23.4
165.07033	11.8
167.08574	39.0
169.06490	10.3
169.10170	21.2
170.07260	10.6
171.08011	49.9
173.09702	9.5
177.05473	7.3
181.08614	13.5
185.09631	63.7
187.07529	19.9
189.09097	10.1
193.05008	7.7
195.08051	27.8
197.09634	9.8
199.07549	24.4
199.11171	8.4
201.09070	9.1
203.10696	12.9
213.09137	93.5
215.07076	11.1
217.08537	15.7
223.07555	9.8
231.10144	28.5
241.08556	53.9
245.11739	13.4
259.09702	57.9
273.11264	16.6
291.12204	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	409.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.5
55.01865	6.6
55.05514	84.5
59.04988	15.4
63.19793	5.5
69.03426	6.7
70.04194	4.8
70.05576	18.8
70.23683	4.7
72.45082	5.2
79.05486	21.0
81.03425	5.8
81.07055	7.1
81.94990	4.4
83.04987	100.0
85.02902	5.6
85.06541	10.5
91.05469	36.9
93.07013	11.9
95.04980	16.3
97.06532	4.8
99.04452	11.4
99.08112	8.5
103.05485	13.0
105.07052	24.1
107.04966	13.7
111.04419	9.2
111.08073	6.8
111.36473	5.1
112.87087	5.1
115.05482	21.0
117.07028	26.9
118.08374	4.6
119.04948	10.2
119.08588	18.9
121.06496	20.2
123.04501	6.6
123.48862	4.6
128.06229	40.1
129.07002	37.0
131.08578	14.4
133.06479	10.0
135.04439	9.8
135.08044	30.8
141.07007	21.9
142.07806	39.1
143.08565	33.3
145.06482	15.8
145.10095	9.2
147.08038	11.4
149.05978	20.0
152.06232	20.0
153.07036	12.9
154.07751	14.7
155.08548	21.3
157.06496	10.7
157.10103	24.0
159.08083	15.4
161.05991	19.4
163.07539	22.0
165.07054	9.5
166.07779	6.8
167.08597	44.5
169.06487	9.5
169.10146	17.8
171.08061	44.0
173.05931	6.1
173.09689	6.4
177.05478	13.2
181.08568	13.3
183.08046	9.0
185.09634	62.2
187.07652	7.0
187.11224	6.4
189.09091	11.2
195.08057	26.9
197.09685	12.6
199.07552	28.9
203.06995	6.3
203.10645	10.5
213.09119	96.7
215.07095	6.1
217.08606	22.9
223.07494	6.4
231.10193	30.9
241.08629	50.8
245.11792	14.4
259.09686	56.9
273.11151	18.3
291.12286	8.3
322.20129	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	409.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63061	0.6
55.05514	1.5
60.04513	2.3
62.11400	0.6
67.05498	1.2
69.03431	1.1
70.06593	0.6
71.48980	1.0
72.08157	8.5
79.01252	0.6
85.02926	0.7
85.06537	0.7
86.09720	0.7
87.05583	2.9
91.05496	0.8
93.07062	1.2
95.08610	1.6
97.02892	0.6
98.97607	3.2
105.07030	1.1
107.08604	1.1
109.10134	0.7
114.09168	3.3
119.08558	1.3
120.08105	6.8
133.10133	1.2
143.06998	0.6
151.07547	0.8
155.75960	0.7
158.99675	1.5
159.11308	11.7
166.08673	3.9
175.14752	1.1
177.10309	1.7
187.10793	4.2
189.09155	0.8
189.57906	0.9
192.55847	0.8
199.07588	0.7
223.10800	4.1
229.12340	1.6
244.13025	1.4
247.10866	0.9
247.13196	1.1
297.95078	0.7
309.13644	0.9
409.18359	100.0
410.18628	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	25.4
57.07080	100.0
59.99089	25.2
67.05518	29.8
69.07079	26.6
70.34650	19.0
71.51283	30.3
79.00636	23.8
81.07053	61.2
83.08625	31.6
84.15945	23.2
86.88541	20.3
89.06024	61.3
92.95908	20.4
93.07037	35.7
95.08607	72.1
104.40842	20.9
107.08633	34.8
109.10174	36.1
116.05335	61.6
119.08575	25.8
121.10149	33.5
122.64964	26.1
136.07397	19.7
137.13326	28.5
145.94914	19.0
160.25545	24.1
172.11542	85.3
194.96217	22.5
195.12253	41.8
196.12755	25.8
217.12234	22.2
230.57732	21.2
258.18134	24.7
378.89392	25.9
409.34583	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00500	12.2
55.05518	84.1
57.03429	25.4
62.21155	11.6
63.38930	11.0
65.03893	11.1
65.28169	12.4
67.05500	39.5
69.03423	27.7
69.42303	12.9
71.04969	16.3
71.51068	20.1
79.05483	30.0
81.07065	37.3
83.04980	100.0
85.02933	25.3
85.06528	28.2
91.05495	36.3
93.07056	28.3
95.08602	37.2
97.02841	13.1
97.06534	50.3
105.07021	47.4
107.08588	42.5
109.06556	15.9
117.07016	17.6
119.08582	24.6
121.06497	26.3
125.09636	62.6
128.06200	14.2
129.06956	16.1
131.08571	19.6
135.07997	11.9
138.13039	11.4
141.09151	12.0
142.07831	16.0
143.08540	31.2
143.10677	23.7
145.06516	18.7
145.10168	28.3
147.08022	26.8
157.10130	15.6
159.08067	26.5
159.11720	13.3
161.06009	16.8
163.07516	14.3
165.07010	13.6
167.08565	19.3
169.06465	12.8
171.08051	21.8
173.09627	29.0
175.07484	15.5
185.09627	22.2
187.07515	14.0
189.09128	34.7
191.07002	22.7
197.09703	16.4
201.09059	28.5
203.10670	26.8
205.08551	39.3
213.09134	25.9
215.10683	24.0
217.08591	24.3
219.10126	71.1
229.08612	27.7
229.12262	15.7
231.10097	15.9
231.13672	14.6
233.11716	17.7
241.08720	14.4
245.11766	25.8
247.09584	19.2
259.09644	19.4
261.11172	70.1
275.12665	17.6
297.14890	31.9
299.08295	13.6
315.15775	27.0
334.73724	13.7
341.17407	16.6
347.08990	12.6
365.10297	24.8
391.11310	15.3
409.22720	28.3
434.91162	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	409.083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49273	2.9
56.96562	11.4
61.02898	3.4
67.71410	3.5
69.61640	3.5
69.79130	12.1
70.06595	3.4
70.99884	3.7
73.02938	3.8
82.99835	5.0
84.08170	7.1
85.02910	6.6
89.00908	4.0
91.09007	3.2
97.02905	6.3
98.97598	15.3
101.00875	47.0
110.97565	5.0
113.00876	24.0
115.02434	14.9
116.98677	5.7
118.08680	4.9
119.01930	50.7
120.01977	3.3
127.02389	9.0
127.03996	3.6
131.01920	33.1
133.03470	28.3
139.02409	6.2
143.01903	50.7
145.01663	4.2
145.03473	23.2
147.01488	4.8
147.04462	11.3
151.00749	3.6
155.01913	30.5
156.97514	8.2
157.03490	30.4
159.05084	5.2
161.02969	49.1
167.01956	5.0
168.99832	21.0
169.03464	6.2
171.01369	19.3
173.02991	41.8
173.06773	3.2
174.98599	3.5
175.04593	6.4
177.00807	4.5
177.02528	5.9
183.01408	6.6
185.02982	23.8
186.99318	4.0
187.00880	15.5
187.04510	3.9
189.02499	17.2
189.05530	8.4
191.04001	9.5
195.01443	6.2
195.03668	6.3
196.99130	4.7
197.00888	7.6
197.02983	16.7
197.04663	4.0
199.00854	22.4
201.02548	16.4
203.04022	19.2
205.03687	5.1
211.04619	3.5
213.02454	9.7
214.97083	4.7
215.00385	11.9
215.03905	4.9
217.01955	28.5
219.01791	7.5
219.03592	7.5
221.03055	7.7
221.04980	35.5
225.02536	3.6
229.01880	8.7
231.03584	16.7
232.98164	6.3
237.02603	4.6
239.06131	27.4
245.05255	4.4
247.04565	13.2
249.04507	4.3
253.01962	3.8
259.03098	11.7
263.06213	21.7
265.05804	15.7
274.99460	5.0
275.02570	10.1
288.99167	5.0
289.04013	100.0
290.04071	4.8
293.10785	9.1
301.03952	37.5
307.05029	79.9
319.04980	23.0
327.93231	3.6
349.07739	18.7
361.06143	14.9
367.08777	15.7
377.05627	24.6
388.10648	3.4
391.07162	5.7
409.08078	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	407.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
57.03436	5.9
57.07080	7.7
60.76633	0.4
63.73926	0.4
67.05505	2.8
69.07062	1.7
70.62833	1.1
71.08636	4.7
79.05492	0.5
81.07064	3.7
83.08613	2.2
85.10184	2.4
95.08619	5.9
97.10191	0.5
99.11783	0.4
105.07018	0.5
108.33238	0.4
109.10170	2.5
113.00026	100.0
116.35471	0.4
123.11708	0.6
125.13254	0.4
131.01077	0.4
137.13283	0.4
139.01598	0.6
140.61571	0.3
169.02625	93.3
193.64189	0.4
239.23767	0.5
279.54388	0.4
407.31650	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31566	0.5
62.53705	0.5
69.61700	1.1
69.62116	2.1
74.20238	0.5
101.00870	3.2
119.01942	7.0
121.91632	0.6
137.02954	0.9
156.97485	1.2
158.99881	1.9
176.75493	0.5
177.00972	14.6
178.01160	1.3
181.21176	0.5
182.99895	1.0
192.98952	0.5
197.00581	1.3
199.98125	0.6
200.13927	0.6
201.00923	3.1
216.99007	2.3
217.04034	3.3
217.99110	2.0
219.02029	22.9
220.02188	1.0
225.00940	2.5
235.00009	3.5
236.00136	3.9
239.01662	0.5
240.99059	1.9
241.99049	1.9
242.99423	1.1
243.02003	12.4
244.02184	1.4
249.98528	0.7
250.95200	0.7
259.00015	9.3
259.02518	0.5
260.00131	9.6
261.03082	100.0
262.00406	0.8
262.03149	5.4
262.77002	0.6
263.03067	1.0
265.99435	0.8
273.98688	0.7
274.99188	0.8
277.01056	4.7
278.01233	4.8
279.00903	2.2
282.99985	14.7
284.00104	16.5
284.04880	2.0
284.99884	6.6
285.99890	0.8
301.01077	13.8
302.01169	16.0
303.00922	6.2
304.01013	0.7
320.02414	0.6
367.02301	2.5
383.00137	0.8
383.99689	0.6
384.71063	0.7
385.03256	17.7
386.03183	1.5
401.01303	1.4
402.01428	1.2
403.04395	15.0
407.00323	0.5
408.00256	0.9
425.01099	3.0
426.01279	9.1
427.00879	3.4
428.01361	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1637
Annotation	Osaterone acetate
Peak:m/z	Relative Intensity
55.05507	4.7
57.07075	1.4
65.03926	1.3
67.05507	3.4
69.03443	2.1
69.07055	1.1
70.03284	5.2
71.05006	6.6
83.04975	2.2
84.52320	1.3
85.06541	1.7
91.05452	2.3
97.10158	1.5
98.20763	2.2
105.07031	1.3
107.08599	3.5
125.09637	3.6
127.11201	6.8
144.08109	1.5
146.06007	1.4
160.07628	1.9
173.08406	3.6
174.09184	1.3
177.03741	1.5
178.03253	8.6
179.03995	8.0
180.04797	8.6
192.04787	35.5
203.04025	3.9
204.04811	3.5
205.05525	2.7
206.06366	47.7
216.04909	2.5
216.08575	1.2
217.05583	7.3
218.06367	18.8
219.07074	2.5
220.07909	11.3
222.05846	1.7
224.03757	1.4
225.93451	1.1
230.06258	7.4
231.07053	6.9
232.07898	8.9
233.08662	1.7
234.09500	11.8
234.64227	1.2
242.06255	1.8
243.07117	5.1
244.07947	4.6
248.07471	4.6
256.07861	1.4
261.11169	2.4
262.09052	3.7
270.09628	1.7
271.10147	1.8
276.14209	2.2
280.05191	3.5
281.06003	3.2
284.11029	4.0
286.12601	22.8
286.15540	1.7
304.13675	38.1
305.14374	3.4
314.12506	1.0
332.13171	71.7
333.13419	3.3
350.14255	3.5
357.16910	2.6
361.15796	37.5
389.15311	24.1
390.15787	1.2
407.16376	100.0
408.16699	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	407.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13532	3.2
55.01878	5.7
55.05508	11.0
56.62035	3.0
56.96565	5.3
57.03437	10.5
57.07079	4.8
60.17385	3.1
63.88129	4.0
64.88390	3.6
67.05518	22.4
69.03438	23.7
69.07077	7.2
69.64609	4.9
69.65014	15.0
71.04995	5.9
77.91656	3.0
79.05512	23.4
81.03422	6.9
81.07058	19.3
83.04972	9.0
83.08604	3.9
85.06541	11.0
91.05467	20.6
93.07038	21.3
95.04977	11.8
95.08602	15.5
97.06538	17.6
100.94279	3.1
105.07040	28.2
107.04951	3.7
107.08591	24.3
109.06514	7.3
109.10161	7.2
115.05402	4.9
117.07023	12.3
119.04897	5.0
119.08589	18.0
121.06496	8.1
121.10144	11.2
123.08063	18.7
125.09642	43.0
128.06242	6.1
129.07002	11.9
131.08562	13.5
133.06511	6.7
133.10118	10.9
135.08046	35.0
137.06003	7.7
141.06982	7.3
141.09097	9.6
142.07794	8.6
143.08563	10.9
144.90697	3.4
145.06454	17.6
145.10165	12.8
147.04387	5.0
147.08043	11.1
147.11736	4.1
149.05980	11.2
149.09622	4.2
151.07494	3.9
155.08536	4.8
157.06511	4.8
157.10118	9.3
158.07242	3.1
159.08101	13.4
159.11685	8.9
161.05965	8.1
161.09636	9.4
163.03932	6.0
163.07471	17.7
165.09160	4.1
167.08583	5.7
169.10117	9.6
171.08093	8.8
171.11832	6.1
172.08749	4.0
173.05910	5.0
173.09598	19.8
175.07587	12.5
177.05511	5.8
177.09221	3.9
179.07021	3.3
181.10112	6.8
182.11008	4.3
183.08089	4.9
185.05983	6.3
185.09610	6.7
187.07559	14.5
187.11220	7.8
189.05528	3.7
189.09007	18.4
191.07027	13.6
191.10706	5.7
193.08546	4.2
196.08858	3.9
197.09663	5.9
197.13251	3.5
199.07664	5.0
199.11209	10.7
200.08290	3.9
201.09117	24.0
203.07013	10.1
203.10649	13.5
205.08629	10.9
210.10497	4.0
211.11122	3.9
213.09097	13.0
215.07056	10.7
215.10608	15.8
217.08568	25.9
217.12239	5.7
218.09323	3.4
219.06706	3.9
219.10150	24.2
225.12766	6.6
227.07240	4.9
227.10693	9.9
229.08676	11.1
229.12305	9.5
231.10204	48.9
233.08057	7.2
233.11732	8.8
239.10625	6.1
241.08434	4.4
241.12282	6.4
243.10089	19.9
243.13855	4.8
245.11707	10.9
247.09624	7.8
249.12720	4.1
253.12305	9.1
255.10378	4.9
255.13782	6.6
257.11633	5.9
257.15338	5.7
259.09692	15.9
259.12842	3.1
261.11234	100.0
263.12900	11.2
267.13791	5.7
269.11966	5.3
269.15341	6.5
271.02460	4.1
271.13324	21.8
271.16083	3.4
273.11212	13.2
281.11795	8.0
283.16644	5.6
285.11157	11.6
285.14798	9.1
289.03412	6.2
291.12268	22.0
293.13776	30.6
295.13336	7.9
297.14825	15.1
299.12973	5.7
299.16455	5.7
301.18033	6.0
303.15863	4.7
304.12854	5.2
311.16537	9.9
315.15723	6.0
317.13855	19.3
321.15213	3.9
327.16086	4.1
329.17352	17.9
339.15967	35.3
349.16556	4.6
357.16971	64.9
371.18509	14.6
375.17914	25.8
389.19562	16.2
407.09940	24.7
407.15457	6.0
407.20645	34.3
407.25858	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	407.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78809	1.4
53.03944	1.9
55.01861	4.1
55.05503	1.5
57.03424	1.9
61.02913	5.7
61.51089	1.4
68.99799	11.9
69.03417	2.2
69.51093	11.6
71.01346	4.8
76.34254	1.5
79.05501	3.3
81.03407	7.1
81.07023	1.9
85.02912	10.8
87.00826	8.8
91.05469	3.9
95.04981	1.5
96.53985	1.4
97.02898	52.0
99.04475	2.2
103.05460	4.2
105.07040	3.6
107.04932	2.7
111.04451	13.8
113.41343	1.5
115.05444	8.9
116.06244	2.7
117.07008	4.8
119.08576	1.7
121.28700	1.5
128.06213	3.8
129.01843	9.9
129.07005	4.5
130.07722	2.0
131.04936	3.3
131.08565	3.9
133.06497	9.0
135.04475	2.7
141.06976	7.9
143.04836	3.6
143.08519	2.2
144.05702	5.6
145.06506	10.5
145.10150	2.2
146.03549	1.7
147.02867	3.4
147.04391	4.1
147.08031	6.1
153.06976	3.7
154.07735	2.3
155.06035	2.6
155.08493	2.1
156.05688	6.1
157.06471	5.0
158.07277	8.2
159.04343	3.0
159.08087	4.5
160.05202	2.7
160.08873	2.0
161.05981	8.8
163.03854	2.1
163.07593	2.7
165.07028	5.7
167.07027	12.1
167.08472	3.0
168.05640	1.8
169.06465	3.5
170.07307	4.7
171.04433	2.0
171.08029	5.9
172.08827	3.8
173.06007	17.4
173.09613	5.7
174.06754	6.7
175.03918	2.3
175.07558	9.9
176.04726	2.5
176.08235	1.7
177.05473	3.8
177.09131	1.6
178.06250	3.7
181.06422	2.0
182.07275	4.6
183.08052	4.3
184.05197	3.4
185.05936	8.6
186.06755	4.9
187.03833	2.6
187.07559	17.7
188.08331	4.9
189.05455	3.6
189.09106	8.1
190.06262	9.1
191.07030	20.4
192.07793	3.6
193.06587	2.5
193.08630	7.5
194.07262	2.1
195.08008	1.7
197.06041	3.0
197.09622	5.4
198.06796	12.2
199.07541	9.2
200.08301	7.1
201.05460	6.1
201.09102	20.4
202.06261	6.2
203.03433	1.8
203.07025	6.6
203.10678	2.7
204.07837	4.1
205.04953	5.2
205.08554	19.6
207.10173	6.4
210.06709	3.6
211.07535	6.7
212.08415	2.9
213.05467	6.7
214.06253	2.5
215.07007	7.6
215.10628	4.0
216.07848	7.1
217.08621	31.6
218.09283	7.7
219.06499	2.7
219.10182	7.1
220.07343	8.7
223.07538	3.0
224.08531	1.9
225.09111	11.8
226.06288	1.7
226.09985	4.3
227.07024	6.6
228.07823	6.5
229.04959	2.2
229.08577	13.1
230.09441	4.1
231.06462	6.5
231.10164	43.6
233.08076	2.2
233.11765	15.2
234.08798	1.9
239.06931	2.2
241.08594	1.8
242.09428	4.0
243.06587	2.2
243.10243	10.2
244.07214	2.8
245.07935	2.6
245.11815	2.8
246.08878	18.8
247.06102	2.0
252.07736	2.1
253.08626	4.7
254.09399	2.9
255.06653	2.1
257.08008	1.8
257.08984	2.0
257.11703	19.8
259.09631	9.6
260.10498	2.5
261.11246	20.1
262.08374	7.4
267.10187	5.6
270.08932	3.6
271.09653	3.0
275.12778	7.1
285.11206	39.5
286.11786	1.8
303.12286	100.0
321.13300	4.3
366.09119	1.7
389.12015	3.5
407.13275	5.4
431.92606	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17617	19.9
52.94927	18.0
53.03952	22.1
60.90420	20.3
67.05507	27.5
69.03428	31.4
70.06594	59.8
71.04987	25.4
71.40236	44.8
81.07047	48.4
83.04981	25.8
86.09707	62.3
87.89847	19.6
91.05478	58.6
93.07033	31.1
95.04978	37.8
97.11607	20.6
105.07048	53.5
107.08624	40.5
109.06531	32.7
109.10149	28.4
119.04906	24.3
119.08605	36.1
121.06536	43.0
121.10152	51.4
131.08527	27.1
133.10132	71.9
135.08029	20.6
149.09644	24.5
170.06276	19.6
173.13354	33.8
191.14308	25.7
201.16122	20.5
209.15387	76.3
227.16402	100.0
240.08546	26.7
282.09698	39.3
300.10703	49.5
310.09036	67.8
328.10114	79.9
346.11270	72.4
356.09891	31.9
374.10645	92.8
406.14432	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	406.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.3
57.03439	14.3
59.82386	2.8
63.08222	2.8
67.05519	20.2
69.29825	22.4
69.30235	7.0
79.05502	3.3
81.07050	10.6
82.14151	2.9
83.04992	3.4
86.09722	10.5
91.05473	6.5
93.07069	5.1
95.04964	2.7
98.21525	5.4
105.07055	4.0
107.08595	5.4
109.10141	17.3
119.08603	6.1
121.06551	4.3
125.00011	5.4
131.08571	3.0
135.08058	4.0
145.10124	5.1
147.08063	7.0
155.08630	3.5
157.06598	4.0
159.08061	5.3
159.11700	4.5
168.47015	3.1
173.09612	10.9
175.07532	3.7
175.11259	7.3
184.07338	20.8
185.07594	3.1
185.09612	5.4
187.07269	3.5
187.11191	4.3
189.09134	24.0
201.12784	10.7
203.10701	77.6
215.10651	4.8
215.14349	3.6
227.14307	3.4
229.12254	58.1
233.11716	3.6
243.13812	24.9
244.91299	3.6
247.13309	39.0
273.14908	22.0
285.18515	100.0
329.21109	42.8
383.25095	3.0
407.25928	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02940	1.0
53.03942	1.8
55.01855	1.1
55.05503	3.4
56.96551	2.1
67.05504	2.3
68.99788	1.9
69.03422	1.5
69.07093	1.0
71.01346	1.1
71.51105	1.0
75.04482	6.9
81.07053	2.2
83.01346	19.0
83.04973	3.0
85.02892	1.0
91.05475	3.4
93.07041	2.7
95.08598	2.6
98.20885	1.1
99.00819	4.0
99.04461	1.3
103.05459	2.0
105.07034	5.5
107.08623	2.0
109.02892	1.9
109.10146	1.2
115.05435	1.2
117.01867	8.2
117.07048	1.4
119.08557	2.6
127.03918	2.1
131.03409	3.1
131.04895	2.0
131.08575	3.3
133.02875	1.6
133.10135	1.5
143.03387	2.7
145.10123	3.7
147.11617	1.3
148.05194	10.0
149.05971	1.0
151.03922	51.4
151.05025	2.2
153.01929	1.1
157.01364	1.6
157.04926	4.7
159.11670	2.0
160.01588	9.2
161.05992	4.1
161.40721	1.0
163.11266	1.1
171.11665	1.3
173.04504	2.4
175.03920	100.0
176.04463	2.2
183.02901	2.0
185.04498	1.8
188.04669	6.1
189.05469	2.8
191.07031	14.2
194.99228	1.8
197.04514	2.2
199.03891	1.7
199.11208	1.2
200.03084	1.7
207.06543	7.3
213.00299	12.8
213.02121	1.3
216.04187	4.4
217.04948	2.7
227.03603	1.6
231.06612	6.7
241.03455	9.4
244.03723	5.7
245.02882	3.9
245.04791	2.2
257.19009	3.0
259.06049	33.2
260.06564	1.2
261.04160	1.0
275.19980	2.2
279.07394	1.0
287.05521	28.4
301.03494	3.7
315.05038	20.0
316.05634	2.8
331.08093	3.2
333.06070	12.8
343.04678	5.1
347.07632	15.0
361.09052	1.4
375.07135	96.0
376.07416	3.8
389.08612	4.9
407.10010	2.0
407.16049	1.3
407.24191	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	406.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.3
55.05513	2.3
56.05043	6.7
57.03432	4.0
57.79005	0.9
58.99591	10.9
67.05489	1.0
68.05019	1.0
69.07075	1.5
70.06593	0.9
71.46559	1.6
72.08164	1.2
73.01146	1.9
74.00669	1.5
76.01833	1.6
76.02230	19.4
76.04014	2.8
79.05508	4.8
80.05018	1.4
80.43457	0.9
81.07056	19.5
83.06129	1.5
84.04507	23.7
84.08138	1.0
85.01138	3.1
85.02892	0.9
86.00656	5.5
86.06073	1.7
86.99052	7.1
87.02689	5.0
88.02209	2.5
93.07019	1.4
94.06587	1.4
95.08601	3.3
97.06549	1.8
98.06070	1.0
98.09708	10.9
99.05534	1.0
99.08094	5.0
102.05545	4.6
105.07017	1.2
107.08593	0.9
110.09686	2.0
112.03980	4.2
113.04211	5.7
115.05826	1.2
116.00899	1.6
116.01685	22.9
127.05820	1.1
129.06624	2.8
130.05000	7.6
130.06868	4.0
130.08688	1.5
131.08545	0.9
139.05798	2.2
142.03201	2.6
142.05038	1.1
143.02820	1.5
144.01143	9.1
145.06082	2.1
156.08438	22.9
156.10213	12.1
157.06856	9.7
162.02219	23.7
167.07071	2.8
170.02583	1.0
174.09489	13.8
179.04878	9.7
189.03343	1.2
210.11238	2.3
216.06960	6.6
227.09102	1.7
233.05949	2.6
259.11133	100.0
260.11551	2.0
285.12796	1.7
308.09018	1.1
313.12268	3.4
331.13312	4.8
343.27600	1.0
362.21564	1.8
375.41437	1.0
388.23395	2.3
389.13464	1.4
406.16556	3.5
422.70810	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54392	3.8
61.02875	3.9
70.82668	9.2
70.83012	4.8
81.07050	8.0
82.13593	3.7
83.04987	4.0
83.08687	4.2
84.04470	4.0
85.02889	5.3
93.07052	8.3
95.08620	6.5
97.06544	100.0
107.08588	16.4
109.06532	7.3
109.10172	7.5
121.06528	3.3
121.10142	9.0
147.11650	3.9
149.13228	15.7
149.76418	4.0
167.10657	4.4
169.12331	6.5
173.13264	5.8
191.14323	12.1
209.15367	16.9
221.99666	3.9
227.16458	48.8
327.52228	4.1
389.13510	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	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95164	14.1
55.05510	37.1
60.66637	11.9
67.05516	24.0
69.03430	34.5
69.07067	25.9
70.06602	21.5
71.49544	27.2
76.02242	17.1
79.05476	18.2
81.07056	53.7
84.04505	36.2
85.02907	52.9
85.06544	30.5
86.06081	34.2
91.05492	16.2
93.07044	31.3
96.77053	13.3
97.02883	19.5
98.06068	25.0
99.08087	19.3
99.38240	13.3
102.42210	14.6
104.07125	18.9
105.07051	25.0
107.08607	17.0
109.10242	16.5
119.08586	42.2
121.10084	25.0
131.08572	18.2
133.10103	15.6
139.11221	19.3
140.11548	23.2
145.05013	17.9
149.09654	28.9
156.10223	14.5
167.07103	73.5
175.14845	42.4
175.36600	16.8
191.14351	18.6
199.13284	33.2
200.13652	68.8
209.08144	34.8
209.11761	15.6
227.09142	17.7
227.12781	34.7
259.11078	100.0
261.00150	13.7
317.03461	16.3
362.21539	18.4
363.38690	17.1
388.23206	95.3
397.54642	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	405.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	16.8
55.05511	64.7
67.05506	64.5
69.03445	15.3
69.07068	30.7
69.82991	60.9
70.06596	11.6
79.05486	65.2
81.07055	100.0
83.04974	33.4
83.08605	15.8
83.24529	10.7
91.05486	79.2
93.07040	88.4
95.04993	26.5
95.08611	55.2
105.07031	97.8
107.08608	60.9
109.06505	12.9
109.10166	39.4
113.60316	11.1
117.07023	50.8
119.08598	92.9
121.06522	11.5
121.10115	25.6
125.09605	17.0
128.06213	25.2
129.06990	40.4
131.08586	67.4
133.06625	10.7
133.10133	37.2
135.04419	11.0
135.08069	23.4
135.11711	28.0
142.07764	16.5
143.08569	36.4
145.06505	15.7
145.10126	58.7
147.11702	37.3
149.00482	11.9
155.08604	23.9
156.09311	15.3
157.10146	27.7
158.78328	9.9
159.08057	22.3
159.11748	22.4
161.13316	14.8
169.10120	26.4
171.11678	24.2
173.09624	13.0
173.13223	13.8
175.07582	17.1
183.11792	16.9
185.13235	14.8
189.09053	26.7
195.11688	12.4
197.13280	18.4
199.14761	17.3
211.11319	13.6
211.14870	26.5
216.05000	10.7
242.21332	12.4
243.13890	22.0
259.13342	12.6
267.21036	18.4
313.21408	11.9
331.09201	11.9
369.24228	36.7
369.28467	13.1
387.25308	46.3
405.08078	14.2
405.25168	85.9
428.23349	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	405.2122
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
55.01871	3.5
55.05512	14.6
56.93269	2.7
57.03434	3.7
61.02929	6.7
64.80051	2.8
65.39717	2.5
67.05515	4.3
69.03453	15.5
69.07050	9.3
71.38560	5.6
73.02908	2.4
79.05492	5.5
81.03423	9.2
81.07069	16.0
81.07455	2.8
83.04974	6.0
83.08601	3.2
85.02436	4.6
85.02914	51.6
85.06543	9.5
87.04448	2.8
93.07040	5.0
95.04960	3.5
95.08590	3.3
97.02892	9.0
97.06536	5.8
99.04479	5.6
99.08093	14.0
101.06030	10.4
107.08610	7.3
109.02863	5.2
109.10144	4.5
111.08080	7.5
114.76543	2.3
119.08605	3.6
121.10162	10.7
127.03922	8.6
127.07544	21.8
129.05484	3.1
135.11731	6.6
139.11172	41.4
145.04982	18.3
145.10107	4.0
150.30640	2.5
153.12796	14.8
163.06113	3.3
163.11211	5.5
169.46915	2.7
181.12244	20.3
199.13310	100.0
209.15338	3.4
211.08609	2.9
227.16373	4.3
250.70900	2.5
313.08224	2.9
322.64209	2.8
327.09866	6.2
331.09116	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.3
56.27865	1.1
58.45500	0.9
70.80974	2.7
73.22351	1.0
76.57648	1.0
79.05524	1.1
95.04959	1.4
107.08508	1.0
108.02007	1.1
108.08107	1.6
133.07558	1.2
137.05946	1.1
138.09102	1.1
167.07080	1.2
174.09164	1.3
180.08109	1.1
181.04950	1.3
184.07611	1.7
185.10764	1.5
189.10229	3.6
197.07109	12.6
197.08812	1.6
197.10733	2.1
198.07747	2.0
199.08685	4.3
210.07753	2.2
211.08694	18.6
212.09424	2.3
213.10197	2.9
225.06612	21.3
225.10173	10.3
226.06990	1.9
226.08867	1.8
227.08267	2.8
227.11743	3.3
228.10320	1.9
229.09872	1.9
237.10002	1.2
239.04553	5.1
239.08173	36.2
240.08775	2.6
241.09645	1.6
243.07613	2.7
245.12877	25.2
253.06187	2.6
253.09753	20.0
254.10365	1.2
255.07661	4.0
255.11328	3.7
257.05576	2.3
257.09216	7.5
263.08118	1.2
267.07675	21.8
268.08569	1.6
269.09055	2.3
271.10751	10.2
281.06049	1.2
281.09213	21.4
283.10721	2.8
285.08728	5.2
289.11801	6.3
293.09256	3.4
295.07062	1.6
297.08701	1.7
299.06866	2.5
299.10236	33.4
301.11902	2.2
302.12247	1.2
309.08734	31.6
310.09015	1.3
311.10309	7.8
313.08099	1.3
317.07529	1.3
317.11298	2.6
327.09763	62.2
329.11462	6.9
337.08209	4.3
345.10852	80.9
346.11185	3.0
355.09222	9.4
359.12250	1.8
373.10333	100.0
374.10623	2.8
387.11810	5.2
405.12967	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	405.1183
Annotation	5,7-Dihydroxy-3,6,8,3',4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
55.05498	1.2
65.96396	0.6
66.91882	0.6
67.05511	1.0
69.07068	1.5
70.89148	1.7
71.04973	0.6
72.10045	0.6
72.31477	0.6
74.40153	0.6
79.05481	1.1
83.08687	0.6
85.02890	0.7
91.05445	1.4
95.04983	0.7
97.06525	0.8
105.07027	0.9
107.08589	0.6
109.10142	0.8
119.08584	1.2
121.06474	1.0
121.10087	0.6
133.10164	0.7
137.05998	0.9
143.08585	0.9
145.10126	0.9
149.06067	0.7
151.03931	11.3
151.05037	0.9
157.10202	0.7
163.03778	0.8
164.04642	2.4
169.01329	2.7
175.07588	1.0
176.90628	0.6
189.09058	1.0
197.00826	2.7
204.04816	1.7
206.06372	0.8
213.05536	0.8
215.14325	1.1
216.04811	5.3
217.05234	1.0
218.06268	0.8
230.06215	1.4
231.06915	1.2
232.07919	0.9
243.02936	0.8
244.04086	1.1
258.05188	1.2
259.06094	0.8
260.03275	1.4
261.03897	1.1
281.74487	0.7
286.04745	2.5
287.05466	0.9
288.06903	0.7
289.03607	3.0
289.15387	0.7
297.03839	0.7
299.01886	1.5
301.03494	1.0
301.07132	0.8
302.12122	3.9
303.04907	0.7
304.05716	1.6
309.36774	0.8
313.03378	1.2
314.00922	1.1
314.04245	10.0
317.02875	4.3
319.07648	1.8
329.03000	1.3
329.06293	3.8
330.11624	2.3
332.05286	6.9
335.62256	0.8
342.03854	1.4
343.04327	1.0
343.08243	1.1
345.02310	1.7
347.03717	0.9
347.07660	9.8
357.01810	1.2
357.06036	15.4
360.04724	4.4
372.08405	1.3
375.07132	60.0
376.07462	1.3
387.13712	2.3
389.08792	1.6
390.09485	6.9
405.11771	100.0
405.24164	5.1
406.12100	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	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	12.9
68.48621	9.3
69.03415	25.3
70.06590	8.3
70.56151	15.4
70.56481	16.0
79.05517	10.3
81.03416	8.8
84.08138	7.0
85.02896	27.4
86.09669	7.0
91.05487	31.0
93.07033	31.7
95.08644	16.0
97.02883	9.1
105.07047	54.4
107.08607	100.0
109.06496	12.2
117.07008	8.7
119.08572	46.5
121.10133	26.0
123.08102	11.0
123.11695	9.5
125.50512	7.2
131.08562	90.6
137.09610	9.7
145.10107	16.8
147.11690	80.8
149.09618	31.1
156.09425	10.0
175.14734	9.5
189.12746	91.9
207.13808	81.7
228.04921	9.7
342.09665	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	404.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49303	1.3
55.01870	3.4
56.05043	2.2
57.03428	2.6
58.99587	16.6
67.05497	1.6
69.07063	6.0
71.29817	1.4
71.30121	2.0
73.13277	1.4
76.02230	100.0
76.04009	3.0
79.05490	7.8
84.04046	2.8
84.04509	33.6
84.08149	2.6
85.02904	3.4
86.09696	3.9
86.99073	3.6
88.02205	2.6
97.02872	1.9
97.06532	92.4
98.97589	2.2
116.01679	25.9
130.05002	23.0
142.03200	9.8
144.01173	10.9
149.53743	1.6
162.02211	42.3
170.02730	3.7
179.04871	78.0
233.05910	18.0
245.05812	3.7
291.06509	3.0
308.09100	25.2
404.14484	2.0
404.22485	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	403.3
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17807	3.6
53.03946	7.7
55.05509	12.1
57.07076	4.4
57.36760	3.7
67.05517	19.1
69.07088	20.1
70.98060	3.5
71.05011	7.6
71.51010	5.7
79.05501	17.5
81.07066	41.0
83.08604	6.0
91.05499	25.2
93.07062	39.8
94.07399	5.0
95.04970	5.9
95.08617	52.5
105.07040	61.1
107.08603	42.4
109.05800	8.1
109.06528	100.0
109.10162	19.2
110.06862	5.6
111.08083	7.1
117.07024	12.3
119.08590	57.8
120.08907	4.5
121.10140	35.5
122.10490	6.6
123.11714	26.5
123.13116	3.7
128.06270	7.7
129.01846	6.9
129.07019	13.3
131.08598	29.0
132.08946	4.1
133.10149	34.1
135.08072	7.4
135.11710	5.7
137.09602	7.1
138.15800	4.1
142.07794	12.8
143.08641	20.1
144.09241	3.6
145.10153	34.9
146.10524	6.0
147.08003	6.9
147.11681	18.0
147.62314	3.7
155.08585	13.5
156.09328	7.4
157.10130	40.8
158.10521	6.7
159.11700	21.3
161.09706	4.6
161.13315	9.4
167.08580	6.8
168.09319	4.9
169.10130	16.2
171.11682	19.9
172.12343	3.6
173.13264	7.7
174.13681	3.4
175.11279	3.8
175.14894	7.8
177.16371	8.2
180.09305	6.8
181.10133	7.9
182.10756	3.3
183.11700	15.1
185.08163	5.2
185.13280	10.1
186.13699	4.5
193.10199	6.6
194.10770	7.8
195.11708	13.8
197.13321	19.9
198.13586	4.2
199.14818	6.5
201.12856	4.2
203.17928	3.7
207.11682	4.7
208.12421	5.9
209.13274	12.7
211.14848	14.6
221.13403	5.8
222.14032	3.8
223.14920	8.1
225.16399	4.1
233.13275	3.7
235.14854	6.3
239.17947	4.4
267.21292	4.5
281.22842	4.2
345.26065	5.1
347.23615	4.2
403.29974	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	403.2846
Annotation	Dendroidinic acid
Peak:m/z	Relative Intensity
50.29226	3.1
53.03946	4.4
54.54581	3.3
55.05516	5.7
57.07090	28.1
60.04520	3.5
67.05515	17.6
69.07063	6.9
69.20834	3.3
71.19429	2.9
71.51215	4.1
79.05502	20.9
80.99117	3.0
81.07068	22.0
85.06545	11.4
91.05486	27.7
93.07056	34.5
94.70764	3.8
95.08615	24.3
96.00328	3.0
102.09158	4.0
105.07048	40.4
107.08604	29.9
109.10181	19.9
117.07059	5.6
119.08585	39.0
121.10146	38.8
123.11727	7.2
125.09560	4.0
129.01859	12.4
131.08562	10.2
133.10126	28.6
135.11687	16.1
143.08575	8.7
145.10181	22.5
145.11115	4.0
147.11685	41.6
149.13261	6.5
157.01355	7.6
157.10135	9.8
159.11688	19.3
161.13251	16.6
163.14792	3.5
171.11635	4.2
173.13277	20.0
179.10719	8.4
183.11620	3.2
185.08131	8.9
185.13295	6.7
193.12331	4.9
199.14810	19.5
205.12210	8.0
207.13783	3.9
211.42284	3.5
213.16446	7.9
227.17975	6.3
228.98166	3.5
255.21115	100.0
256.21774	3.8
265.19418	3.9
283.20551	22.2
301.21622	59.2
357.27893	6.3
403.28656	10.0
403.39706	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	403.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44766	1.4
55.05498	4.0
57.07083	27.0
61.53223	1.3
61.84847	1.6
67.05513	14.3
69.07051	6.3
69.78692	8.0
71.62003	1.3
79.05486	17.3
81.07068	19.7
83.08624	1.9
85.06547	8.5
85.70645	1.5
90.12106	1.3
91.05482	20.9
92.34792	1.4
93.07052	24.3
95.05001	1.8
95.08608	22.1
98.21421	1.7
105.07038	36.9
107.08591	26.0
109.06558	1.5
109.10165	19.1
117.07019	5.5
119.08589	31.0
121.10149	29.1
123.08073	1.7
123.11670	5.4
125.09653	1.7
127.63549	1.6
129.07036	3.3
131.08571	12.8
133.10135	22.1
135.11723	10.7
139.11194	2.6
143.08609	7.7
145.10143	17.9
147.11699	36.5
149.13272	6.2
151.11145	2.4
157.10118	8.1
159.11697	17.9
161.13229	13.6
163.14882	2.0
171.11710	4.3
173.13290	16.3
175.11227	1.7
175.14859	3.6
179.10655	3.4
183.11496	2.0
185.13196	7.9
187.14874	3.6
191.10677	2.0
191.14362	1.7
193.12262	6.4
199.14864	16.4
205.12248	3.0
207.13786	3.6
213.16412	6.5
219.13776	1.9
221.15448	2.1
227.17961	7.1
232.66360	1.5
245.15474	3.5
255.21103	100.0
265.19580	4.1
273.22113	3.9
283.20581	21.7
298.23923	1.6
301.21643	58.8
301.25073	2.8
357.27805	3.1
365.31451	1.5
373.08807	1.7
403.28564	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	403.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11684	1.7
50.49121	1.6
50.56548	1.8
53.03952	3.2
55.05525	9.9
57.07079	37.4
66.39964	1.8
67.05506	19.0
69.07076	7.0
69.33318	13.8
72.98132	1.7
73.72697	1.7
79.05494	18.2
81.07058	26.8
83.04976	9.1
83.08636	5.3
85.06554	24.4
91.05472	17.4
93.07052	24.9
95.08617	27.1
95.12032	1.6
95.44633	1.6
97.10146	2.2
99.08095	4.3
105.07043	39.4
107.08602	28.1
109.06528	5.2
109.10163	23.3
111.08049	1.7
117.07034	7.1
119.08585	31.2
121.06503	5.0
121.10159	29.1
123.11759	3.4
123.36977	1.7
125.09626	3.9
128.10860	1.8
129.07021	3.5
131.08585	24.5
133.10139	29.6
135.08034	2.5
135.11707	14.4
139.11195	2.7
143.08577	9.8
145.10156	24.9
147.08063	1.6
147.11693	41.8
149.09657	4.5
149.13255	6.5
151.11182	2.2
152.01346	1.9
155.08598	2.5
156.09355	1.6
157.10136	11.5
159.11725	24.2
161.09711	2.1
161.13254	15.7
163.11278	1.8
163.14847	2.9
165.12830	3.4
167.10725	2.1
169.10164	3.0
171.11713	8.5
173.13280	19.5
175.11227	3.8
175.14761	4.1
179.10686	5.8
183.11739	5.3
185.13206	8.6
187.14883	3.8
191.14412	2.2
193.12306	7.4
195.11618	2.8
197.13229	3.1
199.14833	18.2
201.12778	2.7
205.12296	5.3
211.14830	2.7
213.16432	9.9
219.13899	3.1
221.15453	2.0
223.13347	1.6
227.18005	6.2
229.19392	2.2
237.98866	1.8
239.18051	8.0
245.15436	3.2
249.46812	1.5
255.21098	100.0
256.21512	2.8
256.74863	1.9
257.19028	30.0
265.19528	2.1
273.22321	3.6
275.19910	2.3
283.20685	17.2
285.18500	9.0
301.21652	62.5
301.25076	3.3
303.19632	17.1
305.96225	1.8
357.27872	4.9
373.09094	2.5
375.28903	7.3
403.24036	5.5
403.28607	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	403.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39888	0.5
54.25300	0.5
55.05503	0.9
56.97432	0.5
67.05512	0.6
69.07047	0.5
70.21359	1.6
79.05478	1.3
81.07048	1.1
83.04974	0.5
86.47589	0.5
91.05485	1.3
93.07033	1.9
95.08640	1.1
105.07023	1.1
107.08582	0.8
109.06572	0.6
109.10186	0.5
116.10724	0.5
121.02908	0.6
121.10117	0.5
131.08562	1.2
149.71425	0.5
151.07620	0.5
159.09340	0.5
161.09665	0.6
243.13618	0.6
313.21320	1.6
343.22479	20.1
348.53720	0.5
385.19800	0.7
403.24646	100.0
404.24951	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	403.248
Annotation	Dehydrocholic acid
Peak:m/z	Relative Intensity
53.03948	2.1
53.82223	1.2
55.05512	16.5
60.08443	1.0
65.76578	1.2
67.05502	7.1
69.03423	1.7
69.07047	2.7
69.64883	1.2
71.04959	2.0
71.05619	1.2
71.51131	1.8
77.92400	1.4
79.05488	7.5
81.07055	30.8
83.04982	28.4
83.08606	4.3
91.05489	10.7
93.07052	13.5
95.04988	1.6
95.08607	15.7
97.06497	1.6
99.08099	12.1
105.07037	21.9
107.04945	3.5
107.08588	20.7
109.06515	4.9
109.10167	8.3
111.08086	3.5
117.07033	5.2
119.08598	13.3
121.06504	8.4
121.10125	7.8
123.08057	2.6
123.11700	1.6
125.09584	2.1
129.07011	2.4
131.08568	22.2
132.08923	1.4
133.06503	2.5
133.10124	15.2
135.08041	1.8
135.11737	6.7
137.09622	2.2
141.06938	1.8
143.08595	7.4
145.10153	15.5
147.08075	6.0
147.11687	19.1
149.09625	14.6
149.13277	3.1
151.11238	1.8
155.08524	4.4
157.10117	15.7
159.08107	2.4
159.11699	11.6
161.09610	4.6
161.13252	8.9
162.19565	1.2
163.11174	5.3
169.10120	4.4
171.11691	5.0
173.09618	1.5
173.13257	5.7
175.11208	9.9
175.15012	1.2
183.11720	10.6
185.13261	3.1
187.11154	2.4
187.14842	2.2
189.12767	2.2
197.11711	1.2
197.13258	8.7
199.14874	3.9
201.12727	7.5
211.14862	5.8
213.16371	11.0
215.14331	1.9
215.17958	9.9
217.04993	1.3
223.14868	1.2
229.15791	3.7
229.19476	3.2
239.17952	33.5
243.17542	2.6
257.19003	100.0
258.19315	2.8
262.80347	1.3
267.17429	3.7
275.20010	3.4
285.18491	31.3
303.19537	63.7
304.19958	3.0
387.58618	1.4
403.24811	15.5
404.24908	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59300	0.2
55.05508	0.9
56.05030	0.3
60.04513	0.3
62.06076	0.5
67.05518	1.1
69.03456	0.2
69.04541	0.3
69.07050	0.2
70.81688	0.6
72.04517	0.9
74.06073	0.8
79.05503	0.9
80.05012	0.4
81.07056	1.4
82.06593	0.4
83.04969	0.7
83.06096	0.2
91.05501	1.0
93.07048	1.3
94.06562	0.6
95.04964	0.3
95.08607	1.3
96.08150	0.6
99.05579	0.6
104.91722	0.2
105.07034	1.8
107.08597	1.6
108.08112	0.5
108.08798	0.2
109.10158	0.9
110.06077	0.2
112.07621	1.3
112.08332	0.2
113.07126	0.9
114.09167	0.2
117.07016	0.5
118.06569	0.2
119.06074	0.2
119.08595	1.6
121.02892	1.0
121.06506	0.3
121.10138	1.7
123.08109	0.2
123.11735	0.3
124.07598	5.7
125.07074	0.3
125.09647	0.2
126.09161	1.9
128.06258	0.2
129.07018	0.4
130.08575	0.2
131.08569	1.3
133.10141	1.6
135.11684	0.6
136.07570	0.7
137.07076	0.3
138.09122	1.5
139.11201	0.4
141.06964	0.3
143.08531	0.5
143.09492	0.3
144.08105	0.2
144.10153	0.2
145.10141	0.8
147.11716	0.8
149.07121	0.6
150.09193	0.3
151.07513	0.2
152.10750	0.3
154.08652	1.6
155.08426	0.2
157.10104	0.2
158.09673	0.2
159.11696	0.9
161.13252	0.6
163.14827	0.4
164.10777	0.2
169.10092	0.3
171.11676	0.4
173.13315	0.4
178.12347	0.4
185.13348	0.4
187.14850	1.5
189.16403	0.3
190.12402	0.3
192.13809	0.4
195.11523	0.4
197.13109	0.3
204.13786	0.2
208.13271	0.3
213.16451	0.2
222.12900	0.2
223.14838	0.2
225.16357	0.2
241.19475	0.3
251.18132	0.2
278.18979	0.4
286.21570	0.4
330.24310	0.3
332.22333	0.4
332.26041	0.6
344.22839	0.2
346.23804	1.3
358.23853	0.9
376.24835	6.6
377.25156	0.3
385.19952	0.2
403.25925	100.0
404.20801	0.8
404.26248	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	403.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81983	19.5
55.05501	23.0
56.96557	96.0
60.73983	19.2
62.03233	17.9
62.18596	24.5
67.05513	35.0
69.07052	28.1
71.51189	37.6
79.05492	57.9
81.07046	54.4
87.04464	24.0
91.05470	34.0
95.08616	36.3
96.59378	20.5
98.97549	27.6
105.07021	40.1
107.08607	47.1
109.10157	28.3
119.08573	35.0
121.06483	31.0
121.10188	22.4
124.88902	22.4
129.01830	34.6
133.10141	28.5
143.08658	25.7
145.10120	58.8
148.13742	25.5
149.09706	26.1
159.11781	28.2
177.50334	26.8
190.63741	25.3
343.19540	35.8
403.22116	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
55.01873	8.6
55.05507	5.1
57.03414	2.3
59.05013	9.5
61.02911	7.3
67.05513	17.8
69.03435	14.5
69.07073	14.9
69.26266	1.8
71.05000	12.0
71.24591	3.3
79.05488	13.2
81.07062	38.1
83.04973	16.4
83.08627	4.5
85.02876	10.1
85.06531	5.2
87.04473	49.7
91.05477	13.8
93.07048	40.0
94.81207	1.7
95.04974	17.0
95.08613	19.9
97.02898	11.0
97.06540	19.6
99.04449	7.7
101.05987	2.2
103.03952	3.0
105.07036	25.5
107.08613	18.9
109.06528	11.4
109.10162	7.2
111.04395	2.4
111.08081	43.5
113.05986	3.6
115.03930	16.7
119.08605	12.1
121.06480	13.3
121.10159	5.3
121.54412	1.9
123.04424	2.5
123.08038	3.2
123.11714	17.5
125.05959	8.6
127.07547	2.1
129.05486	30.4
129.06978	2.7
131.04994	1.9
131.08577	3.3
133.06488	2.6
133.10118	15.1
135.08060	8.3
137.05965	3.0
137.09653	2.1
139.07520	9.1
142.07773	2.5
143.07086	3.0
143.08540	3.0
145.10045	2.8
147.04388	2.4
147.06502	6.4
147.11694	32.9
149.13390	2.2
149.53026	1.9
151.07529	3.4
151.11194	11.5
157.05045	2.0
157.10124	4.6
161.13249	3.4
165.12808	9.6
169.12239	46.3
171.11732	3.4
175.06027	100.0
175.11177	23.3
177.01753	2.2
181.04916	2.8
189.12776	8.9
193.12238	30.2
199.11148	5.1
207.13747	4.5
208.07310	3.1
211.13303	44.9
212.13620	2.5
217.12250	21.7
229.14299	14.9
235.13313	14.1
253.14320	5.1
257.10196	3.2
307.15332	3.5
325.16422	8.6
339.18399	2.6
349.16074	2.8
367.17728	5.8
403.15588	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	403.1966
Annotation	Spionoside B
Peak:m/z	Relative Intensity
53.03941	5.5
55.01870	3.7
55.05515	10.6
57.03426	4.2
61.02917	5.4
62.83321	1.3
65.03926	2.6
67.05504	8.2
68.99800	1.6
69.03439	22.7
69.07061	4.3
70.06594	4.5
71.01324	1.6
71.04984	4.1
71.06007	3.7
79.05500	8.3
81.03431	9.2
81.07066	19.1
83.04980	4.8
85.02912	100.0
86.09705	3.2
86.22906	1.7
87.04474	2.3
91.05482	13.9
93.07061	16.4
95.04990	7.7
95.08620	15.7
97.02902	15.3
97.06525	3.2
97.10182	7.1
99.04452	5.6
99.08100	5.9
103.05472	1.9
105.07027	15.1
107.04967	5.1
107.08603	51.6
109.02885	7.2
109.06513	10.1
109.10168	14.0
111.04439	4.3
111.08090	1.7
115.25323	1.5
117.07019	4.4
119.08598	10.2
121.06513	5.4
121.10155	47.5
123.08080	5.6
125.06028	10.1
125.09643	14.7
127.03927	10.4
129.07007	3.4
130.04187	1.5
131.04991	3.4
131.08556	4.4
132.95880	3.4
133.06506	2.4
133.10165	2.8
133.89841	1.6
135.08096	4.6
135.11749	1.7
137.05980	3.0
137.09621	18.2
139.11227	7.5
143.08563	5.1
145.04961	6.0
145.06413	2.5
145.10141	13.3
147.04451	3.2
147.08054	10.1
151.03918	2.4
151.07527	3.7
155.10677	2.7
159.08026	2.3
159.11705	5.2
161.06015	2.4
161.09621	2.6
162.06773	4.0
163.07527	4.0
163.11180	17.1
165.09138	21.4
168.95898	1.9
174.96913	3.3
175.11183	2.9
177.12700	2.4
181.12354	1.4
183.10161	17.4
187.11208	10.1
193.12256	2.6
196.64742	1.5
199.11113	1.6
201.09132	2.0
205.12253	46.0
211.13341	4.0
213.09239	1.9
215.07108	2.2
215.10695	2.8
218.97633	1.6
223.02370	7.6
223.13304	51.9
227.10674	2.0
231.06630	2.0
234.98961	3.7
235.43417	1.4
235.51312	1.5
241.14372	28.7
253.12309	1.8
257.11859	1.5
258.81885	1.5
281.11960	2.7
299.12778	1.9
315.05206	1.5
325.07907	1.5
335.07776	2.4
353.06744	1.9
403.19620	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	403.1967
Annotation	Spionoside B
Peak:m/z	Relative Intensity
53.03944	5.3
53.05788	1.8
55.01862	6.1
55.05516	17.3
57.03434	6.8
59.05001	11.5
59.54581	1.7
61.02919	6.6
67.05504	16.0
69.03436	26.4
69.07076	12.0
70.06565	2.6
70.75131	2.3
71.04993	7.7
71.51350	2.6
73.02927	3.1
75.89879	1.9
79.05496	17.9
81.03419	6.0
81.07061	36.9
83.04985	11.7
83.08628	3.8
85.02911	100.0
85.06542	5.0
87.04478	33.2
91.05489	20.7
93.07040	41.4
95.04977	13.1
95.05487	1.9
95.08611	21.6
97.02906	15.4
97.06543	12.7
97.10181	9.6
99.04465	9.5
105.07037	32.4
107.04958	9.4
107.08606	62.1
109.02859	2.2
109.06524	17.3
109.10166	8.8
111.04441	3.2
111.08086	19.2
111.77430	1.8
113.06001	2.2
115.03948	13.2
115.05408	2.3
117.07017	3.6
119.08601	18.2
121.03784	2.2
121.06546	10.5
121.10151	41.9
123.08086	5.6
123.11723	8.0
125.05996	11.7
125.09627	14.8
127.03924	7.3
129.05499	16.9
129.07021	4.7
131.04938	3.0
131.08600	5.5
133.04959	2.1
133.10167	10.8
135.08055	8.3
137.05988	3.6
137.09618	9.1
139.07536	6.3
139.11215	6.8
143.06989	2.6
143.08553	5.6
145.04948	3.5
145.10164	11.7
147.06581	2.7
147.08034	8.3
147.11678	16.7
151.03987	2.4
151.07515	2.6
151.11177	8.3
157.10168	6.1
159.11720	4.9
162.06779	2.7
163.07539	4.4
163.11171	16.1
165.09175	16.5
165.12787	8.6
167.07025	1.8
168.09319	2.5
169.08719	2.2
169.12250	23.8
171.11696	3.2
175.06029	58.2
175.07513	3.6
175.11166	16.7
177.12740	3.3
183.10185	12.6
183.11588	3.7
187.07605	2.4
187.11177	7.7
189.12750	5.3
193.12234	21.0
199.11200	4.2
203.10660	2.4
205.12253	43.8
211.13283	24.5
217.12175	11.3
223.13309	48.0
229.12265	3.6
229.14391	7.2
235.13332	6.0
241.14334	26.4
253.14413	5.3
257.10153	4.6
325.08371	3.0
325.16422	5.8
339.17996	2.6
343.09064	2.0
353.07010	3.4
367.17349	5.2
403.15283	2.7
403.19800	12.2
409.78241	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	401.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
55.01864	2.9
55.05518	15.1
57.07072	3.9
64.50804	2.6
65.03925	3.9
65.09485	2.6
66.86259	2.5
67.05513	20.2
69.07076	15.2
70.68365	8.8
71.04993	9.7
74.88999	3.1
79.05504	27.4
81.07070	35.6
83.05001	4.8
83.08563	2.9
84.34876	2.7
88.07655	3.1
88.12807	2.4
91.05489	46.7
93.07050	44.6
95.04974	13.4
95.08611	23.6
103.05466	4.0
105.07040	87.3
107.08605	38.6
109.06526	54.8
109.10139	16.6
111.08080	5.6
115.05445	8.0
117.07032	26.7
119.08594	85.6
121.06558	3.2
121.10159	26.6
123.08081	5.3
123.11726	4.0
128.06239	12.6
129.07053	21.5
130.07771	9.3
131.08565	62.6
133.10144	75.9
135.08046	12.6
135.11708	17.1
136.50261	3.1
137.09558	7.0
141.06973	9.5
142.07826	23.7
143.08594	46.4
144.09340	11.0
145.10135	100.0
147.08118	7.2
147.11688	16.8
149.09627	8.5
151.03110	3.1
153.06989	4.4
154.07790	4.3
155.08563	21.6
156.09360	18.6
157.10139	63.1
158.10912	10.5
159.11711	36.0
161.09595	5.5
161.13327	3.5
165.06976	9.0
166.07861	4.5
167.08543	9.5
168.09372	7.9
169.10146	25.1
170.10883	8.2
171.11700	26.4
172.12442	5.6
173.13284	42.8
175.14821	14.2
179.08565	11.5
180.09341	7.8
181.10110	14.3
182.10933	7.8
183.11736	21.9
185.13280	18.1
187.14851	34.9
189.12727	3.8
192.09323	6.0
193.10170	10.7
194.10916	8.7
195.11722	21.0
196.12350	4.5
197.13193	15.7
199.14833	15.0
201.12880	6.0
201.16516	4.7
205.10153	6.3
206.10921	5.4
207.11728	12.1
208.12399	4.7
209.13266	28.0
210.13783	3.7
211.14841	10.4
213.12766	7.1
213.16345	3.8
215.14352	4.7
219.11827	7.2
220.12436	2.8
221.13278	12.3
222.14012	5.8
223.14835	8.8
225.16298	3.5
231.11562	5.3
235.14795	7.7
237.16402	7.1
239.17969	4.9
247.14784	4.4
249.16483	3.9
251.18004	8.5
252.18558	3.5
261.16470	3.8
263.18036	6.9
265.19485	5.1
273.16437	3.4
275.17963	3.8
277.19540	4.5
383.26663	3.6
401.13208	4.6
401.17664	9.8
401.28418	39.2
401.38086	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1964
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.05528	7.1
57.25962	7.1
69.17067	6.7
71.06081	15.9
72.08147	7.2
85.02927	12.3
86.09723	8.7
93.07037	15.2
107.08610	37.7
109.10117	7.1
119.08575	19.1
121.06510	15.0
123.08104	15.6
130.58478	6.6
133.10156	14.3
135.08063	33.8
135.11708	39.0
137.09659	60.7
139.59152	7.2
149.13280	27.6
159.11586	17.1
177.12753	100.0
195.13792	64.5
205.12381	11.8
223.13310	47.1
229.10654	8.1
241.14333	33.8
250.63297	6.7
376.54410	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	401.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69056	0.6
53.03943	1.4
53.09501	0.5
55.05513	15.8
56.46198	0.5
59.99575	0.6
60.64303	0.5
66.67419	0.5
67.05511	3.9
69.07083	1.1
69.22807	4.0
69.23232	1.3
71.00069	0.6
79.05492	4.2
81.07059	7.0
83.04984	100.0
83.08617	1.0
89.06589	0.5
91.05482	5.2
93.07047	8.9
95.08614	6.5
97.06523	0.6
97.10194	0.8
101.46074	0.6
105.07041	10.1
107.08600	7.7
109.10159	7.9
117.07026	1.9
119.08593	9.6
119.28654	0.5
121.10165	7.8
123.11707	1.7
125.09713	0.6
129.07001	1.2
131.08588	4.6
133.10135	8.7
135.11674	4.5
139.11220	0.8
143.08589	1.9
145.10138	9.1
147.11691	14.6
149.13318	1.6
151.11227	1.2
157.10159	2.4
159.11688	6.4
161.13298	4.0
163.14835	0.7
171.11742	2.5
173.13292	5.5
175.14870	2.0
179.10727	2.5
181.10112	0.6
185.13335	2.3
193.12277	2.7
199.14842	5.2
205.12328	1.9
207.13774	1.0
213.16400	2.7
219.13811	0.9
227.18025	2.3
245.15422	1.3
255.21092	40.5
256.21454	1.4
260.82608	0.6
265.19485	1.1
273.22287	2.5
283.20560	6.3
283.23471	0.6
301.21634	26.5
301.25064	1.4
302.22040	1.4
401.26956	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	401.2689
Annotation	Vibsanin R
Peak:m/z	Relative Intensity
51.29595	1.7
55.05516	17.1
67.05508	7.8
69.07070	4.5
71.51466	2.8
79.05493	8.9
81.07053	12.0
83.04990	100.0
91.05493	9.7
93.07060	18.1
95.08607	10.6
101.06035	2.8
105.07043	24.8
107.08619	17.9
108.77131	2.0
109.10191	11.5
117.07027	2.7
119.08593	21.2
121.10149	13.5
123.11742	4.7
128.06380	2.0
129.07025	2.5
131.08592	10.2
133.10141	10.9
135.11722	5.2
143.08554	3.7
145.10143	11.7
147.11713	17.3
149.13260	3.1
155.08635	1.9
157.10127	4.1
159.11745	10.9
161.13306	5.5
163.14873	2.3
171.11743	3.6
173.13316	5.4
175.14870	2.9
179.10709	4.0
185.13326	3.6
193.12291	2.7
199.14883	8.1
200.90483	1.8
207.13898	1.9
209.13115	1.8
213.16394	2.6
227.17899	4.0
245.15366	2.4
255.21111	51.0
256.21457	2.2
265.19522	2.8
283.20593	10.3
301.21634	33.4
302.22165	2.3
330.66006	2.7
359.65912	2.2
380.47955	2.2
401.27066	12.5
401.38052	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	401.269
Annotation	Vibsanin R
Peak:m/z	Relative Intensity
53.03939	2.3
55.05276	1.5
55.05518	16.8
64.56712	1.1
67.05511	9.4
69.07063	2.5
70.09229	1.1
70.71252	2.3
79.05492	12.4
79.64032	1.0
81.07062	14.6
83.04989	100.0
91.05493	15.0
93.06573	1.3
93.07060	18.2
95.08621	13.3
97.10167	1.1
101.06044	1.7
105.07034	22.5
107.08598	19.5
109.06525	2.0
109.10163	13.7
117.07006	3.7
119.08599	20.1
121.09323	2.2
121.10153	23.6
123.11672	3.3
126.73853	1.1
129.06998	2.2
131.08574	10.8
133.10141	13.1
135.11711	7.3
139.11110	2.5
142.07799	1.3
143.08563	4.7
145.10124	17.3
147.11688	21.3
149.13322	2.7
151.11217	2.2
157.10086	4.8
159.11702	12.7
161.13293	11.3
167.10620	1.3
169.10135	1.9
171.11728	5.2
173.13269	8.9
175.14833	2.5
179.10649	2.7
185.13181	5.5
187.14746	2.9
193.12262	3.7
199.14821	11.9
205.12238	2.5
207.13777	3.4
212.01353	1.3
213.16428	4.6
227.17879	5.0
245.15411	2.8
255.21095	53.6
265.19382	1.5
273.18488	1.9
273.22153	2.4
283.20581	13.3
301.21658	31.5
374.13428	1.8
401.26907	22.2
407.05905	1.2
421.68204	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14189	3.4
55.05512	36.4
67.05493	13.8
69.59760	25.2
79.05499	21.3
81.07054	34.3
83.04983	54.7
91.05473	24.5
93.07042	31.6
95.08622	34.2
97.10149	3.8
98.20698	4.2
105.07043	41.8
107.08608	38.0
109.10161	28.3
117.07023	7.2
119.08594	56.3
120.78178	3.5
121.10135	27.6
123.11739	7.4
129.07057	4.4
131.08551	23.9
133.10141	33.4
135.11693	14.6
143.08600	8.7
145.10136	36.9
147.11676	42.1
149.13274	10.2
151.11115	3.9
157.10141	14.4
158.91541	3.5
159.11688	24.7
159.83202	3.3
161.13287	24.1
171.11729	8.9
173.13271	19.7
175.14772	6.6
179.10712	8.1
185.13229	9.1
187.14835	4.4
193.12259	9.0
199.14801	17.6
201.16428	4.7
205.12294	4.2
207.13779	5.0
209.13348	5.1
213.16435	8.4
245.15375	5.6
255.21104	100.0
256.21344	4.0
273.18570	5.0
283.20627	19.0
301.21591	57.4
306.14963	3.6
309.25693	5.0
337.24777	4.3
355.26218	28.2
401.26843	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2688
Annotation	Vibsanin R
Peak:m/z	Relative Intensity
53.03949	1.2
55.05515	16.8
55.05785	0.8
57.07064	1.6
58.44712	0.6
59.10336	0.7
67.05505	6.6
68.67379	0.6
69.07067	2.3
71.06155	1.1
71.08643	1.1
79.05488	8.2
81.03400	0.7
81.07065	10.9
83.04987	100.0
83.08628	1.9
84.05309	1.2
91.05490	10.2
93.07052	11.1
95.08612	12.2
95.09182	1.1
97.10156	1.0
101.06047	1.5
102.16186	0.7
105.07039	16.7
105.07689	1.3
107.08595	15.2
109.10165	11.3
111.00800	1.0
117.07018	2.6
119.08582	15.9
119.09365	1.2
121.10151	14.6
123.08074	0.9
123.11725	2.5
129.07050	1.4
131.08577	8.3
133.10138	10.7
135.11684	5.1
139.11229	1.2
143.08582	3.6
145.03709	0.7
145.10141	12.3
147.11697	16.2
147.87740	0.7
149.13254	3.7
151.11224	1.2
156.09601	0.7
157.10152	3.0
159.11688	9.8
161.13261	6.5
163.14886	1.0
171.11751	2.7
173.13246	8.5
173.14476	0.7
175.14871	2.0
179.10759	2.4
180.33578	0.6
185.13318	3.0
187.14799	0.9
189.12923	0.7
190.36200	0.6
191.10651	0.8
191.14354	1.1
193.12257	3.8
194.66539	0.6
199.14833	7.7
205.12233	1.0
207.13864	1.8
209.13295	1.0
213.16466	2.9
215.17934	0.7
221.15570	0.8
227.17926	4.7
245.15459	1.8
255.21094	54.6
256.21609	1.9
265.19620	1.6
272.28354	0.7
273.22214	2.0
283.20596	11.9
283.23514	0.8
301.21640	35.5
302.22006	1.2
313.27191	0.7
355.26520	0.9
401.19415	1.2
401.21555	0.9
401.26846	11.6
401.38437	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.05516	16.9
57.07080	1.3
65.03936	0.8
67.05511	8.2
68.99794	1.7
69.03447	0.5
69.07065	3.2
69.90492	2.3
79.05497	9.4
81.07066	12.6
83.04990	100.0
83.08631	2.0
88.07608	0.5
91.05482	10.0
93.07050	12.5
95.04948	0.8
95.08617	12.7
97.10162	1.3
101.06034	2.1
103.88579	0.6
104.99247	0.5
105.04550	0.5
105.07038	18.3
107.08606	14.6
109.06535	1.1
109.10168	11.9
111.00820	2.5
117.07045	2.7
119.08597	19.1
121.10157	17.4
123.08090	0.7
123.11737	3.1
125.09634	0.8
127.03970	1.5
129.07034	1.5
131.08589	8.3
133.10138	11.8
135.08008	0.5
135.11691	5.2
139.03931	1.7
139.11188	1.4
143.08571	4.1
145.10138	13.6
147.10518	1.0
147.11700	19.0
149.13243	3.1
151.11198	1.2
157.10144	3.2
159.11708	9.9
161.13263	7.8
163.11301	0.6
163.14847	1.1
165.12761	0.6
167.10732	0.8
169.10143	0.7
171.11736	2.1
173.13289	7.7
173.14691	0.8
175.14856	2.3
179.10706	3.1
183.11693	0.9
185.13280	3.2
187.14914	0.9
191.10744	0.7
191.14331	0.7
193.12274	3.3
199.14850	8.5
200.15579	0.5
205.12323	1.5
207.13864	1.5
213.16382	4.0
217.16008	0.6
219.13841	0.8
221.15471	1.1
227.14430	0.6
227.17984	4.3
231.13885	0.7
241.15839	0.7
245.15475	2.1
255.21104	51.1
256.21500	1.5
259.16998	0.6
265.19656	1.5
273.19089	0.6
273.22165	3.4
283.20596	12.3
283.23538	1.0
301.21643	33.0
302.22012	1.2
351.13879	0.6
355.26370	0.9
401.19241	0.8
401.21774	0.9
401.26755	10.5
401.38235	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34418	0.7
55.01872	1.1
55.05518	5.1
55.67300	0.8
56.10382	1.0
67.05512	5.6
69.07081	1.8
71.51191	1.4
79.05481	2.3
81.07053	3.9
83.04977	1.2
83.08606	1.5
91.05470	3.4
93.07044	3.8
95.04985	0.9
95.08617	1.9
97.10170	1.8
105.07059	4.7
107.08578	2.2
109.06514	1.0
109.10149	2.7
117.07008	1.1
119.04978	1.7
119.08570	2.4
121.06549	1.3
121.10184	1.0
125.09708	1.1
128.06242	1.1
129.06949	1.3
131.08586	4.6
133.10135	1.5
141.07002	1.0
143.08594	2.1
144.09325	2.3
145.06508	1.8
145.10126	2.2
155.08548	1.3
157.10126	3.1
158.07309	1.4
159.08080	4.8
159.11688	4.7
161.05998	1.7
165.62956	1.1
169.10118	2.8
171.08047	3.5
172.08839	6.4
173.09642	2.9
174.10245	1.0
175.07495	2.0
183.08109	1.4
183.11647	0.9
185.09625	14.4
187.07587	2.2
187.11198	37.1
188.08296	1.4
195.08099	1.1
197.09618	2.8
198.06703	1.0
199.07501	5.8
199.11209	2.0
200.08246	1.5
201.09129	3.3
203.10696	3.2
209.09599	3.5
211.11240	4.1
212.08327	2.0
213.09140	7.8
213.12643	1.4
214.09869	3.2
215.10629	3.4
223.11086	1.4
225.09123	2.4
227.10716	11.6
229.12350	1.1
311.20026	7.5
321.18307	1.1
339.19592	41.4
340.19913	1.1
341.20798	6.0
357.20615	100.0
358.21024	3.3
383.18024	1.1
383.22308	1.4
401.19211	50.1
401.23181	36.3
402.19522	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2303
Annotation	Juniferinin
Peak:m/z	Relative Intensity
51.53884	0.8
55.05516	1.5
56.09481	0.8
60.04518	1.8
61.50430	0.7
67.05516	2.4
68.18648	0.8
69.07066	1.4
71.51373	1.1
79.05497	1.7
81.07054	2.7
81.37809	0.8
91.05473	2.4
92.89293	0.8
93.07084	1.2
95.08618	2.0
105.07023	2.5
107.08584	1.1
109.10165	2.0
117.07029	1.1
119.08566	2.7
121.10128	0.9
131.08568	1.4
145.10175	1.0
146.08101	2.3
159.11717	1.2
274.27469	1.1
311.19925	2.0
341.20917	18.5
401.23013	100.0
402.23309	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.8
57.04594	1.3
67.05505	4.1
69.07080	1.6
70.92646	1.4
71.09899	1.3
71.10241	1.3
71.19739	1.1
76.25809	1.1
79.05501	3.4
81.07052	3.9
83.04964	1.3
83.08601	2.1
91.05492	2.7
93.07048	3.0
95.08614	3.4
98.18412	1.1
105.07036	2.7
107.08608	1.6
109.10204	2.7
115.22051	1.2
117.07031	1.2
119.08569	3.0
121.10158	1.4
129.06938	1.5
131.08603	3.5
133.10136	1.3
141.06990	1.6
142.07822	1.8
143.08574	2.4
145.10120	1.7
155.08583	1.2
157.10135	4.1
158.07300	2.3
159.08025	3.8
159.11719	3.5
161.06033	1.4
169.10129	3.1
171.08072	2.5
172.08789	6.7
173.09601	2.6
175.07597	1.8
175.11082	1.8
175.49464	1.3
185.09610	14.2
187.07671	1.4
187.11195	36.7
188.11617	2.0
189.09109	1.2
195.08026	1.2
199.07550	4.1
201.09138	3.1
203.10655	1.6
209.09650	1.5
211.11256	2.3
212.08325	2.1
213.09151	8.5
213.12891	1.8
214.09908	3.5
215.10684	2.8
225.09085	2.1
227.10667	10.1
241.12335	1.4
302.38913	1.2
311.19943	6.7
321.18509	1.3
328.16855	1.1
329.31955	1.2
339.19568	40.1
341.20959	10.7
357.20621	100.0
358.21021	3.0
382.64798	1.2
383.17993	1.3
383.22275	2.5
401.19177	64.2
401.23169	61.8
402.19171	2.0
402.23529	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	401.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	14.8
55.01864	5.3
55.05508	4.9
57.03444	6.6
57.07062	6.3
61.61936	3.4
67.05496	11.6
69.03436	72.5
69.07072	12.8
70.05281	15.3
71.04982	12.0
72.48241	3.3
79.05495	16.2
81.03431	41.7
81.07068	17.0
85.02905	38.0
87.00838	14.6
91.05495	9.7
93.07053	50.2
95.04987	4.8
95.08602	24.8
97.02897	35.3
99.04453	26.4
105.01888	8.1
105.07031	14.5
107.08601	48.4
109.02887	35.0
109.06550	8.1
109.10157	43.4
119.08585	11.7
127.03919	65.8
135.11707	100.0
145.04990	7.4
147.08109	4.0
153.01845	12.2
153.12743	26.2
157.15872	4.0
167.07011	5.0
210.64177	4.0
213.03923	7.1
231.04993	39.4
330.11035	4.5
344.60748	4.5
365.15857	10.6
383.16919	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	401.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	0.6
68.73606	0.6
71.51238	0.6
77.02861	0.7
81.07049	0.7
83.04994	0.6
95.08562	0.5
97.06525	0.6
122.10537	0.6
127.84657	0.5
145.10068	0.7
150.88464	0.5
167.29446	0.6
247.26364	0.6
327.18976	0.7
330.59485	0.5
339.19412	1.9
341.17142	1.0
345.19470	0.9
401.19370	100.0
402.19626	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	401.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95277	3.6
53.03944	15.5
55.01864	20.3
55.05508	17.4
57.03429	10.4
58.99584	4.3
61.01143	27.8
61.02925	7.5
61.53927	4.8
65.03937	5.6
65.36507	4.2
67.05516	35.3
67.82222	5.5
68.30357	4.6
68.99795	7.4
69.03439	39.0
69.04551	16.4
69.07066	26.5
70.06586	14.2
70.68539	10.5
71.04973	12.3
79.05494	34.6
81.03427	58.4
81.07069	83.6
83.04967	19.5
85.02894	31.7
85.06549	8.5
86.09698	17.1
87.00827	13.9
89.00151	5.0
89.00622	27.9
91.05483	44.0
93.07047	69.3
95.04992	44.9
95.08616	18.2
97.02895	15.3
97.03991	9.3
97.06528	17.3
99.04460	25.4
102.76283	4.6
103.05486	6.3
105.01889	7.0
105.07040	65.7
107.04959	17.7
107.08592	52.6
109.02895	11.9
109.06539	40.6
109.10167	19.8
111.04431	12.3
111.08096	13.7
112.38921	4.6
113.06040	6.9
115.03940	6.3
115.05439	4.8
115.90366	4.5
117.06995	23.8
119.04923	5.0
119.08601	66.2
119.16367	5.3
121.02882	16.6
121.06516	31.1
121.10155	40.8
123.04440	53.0
123.08047	13.3
123.11701	6.7
124.06390	7.7
125.05980	10.9
127.03912	12.9
127.07555	11.0
128.06212	23.0
129.01903	6.9
129.06990	29.0
129.10323	5.1
130.07784	6.9
131.08585	30.5
132.99495	4.6
133.06439	6.0
133.10135	25.0
135.04430	5.0
135.08052	10.2
135.11703	26.5
137.05994	6.6
137.09608	16.8
138.40750	5.1
139.11139	6.0
141.05420	6.5
141.07011	21.8
142.07788	10.9
143.08562	51.7
145.06493	9.4
145.10120	58.3
147.08047	15.0
147.11678	13.2
149.05974	9.7
149.09615	13.1
151.07559	16.5
151.11195	22.7
153.06999	8.2
153.09029	8.2
153.10245	100.0
154.07813	24.1
155.08604	19.9
157.04996	10.4
157.10155	23.2
159.08040	10.4
159.11694	20.1
163.11186	40.0
165.09103	8.1
167.07047	12.3
167.08501	9.9
167.10728	20.0
169.06483	6.1
169.08627	30.1
169.10143	53.7
169.12279	5.7
171.08070	13.1
171.11676	16.5
173.05844	4.8
173.09589	17.9
175.07516	8.5
175.11208	9.3
177.05469	5.4
179.07059	14.0
181.12222	18.8
185.09703	6.8
185.11711	10.3
187.07591	5.1
187.11220	18.4
189.09091	7.1
191.10710	24.6
197.09644	27.7
197.13371	7.1
209.11755	14.4
213.09154	9.1
215.10715	64.1
225.09082	12.0
225.12717	5.6
227.12785	23.2
231.04945	5.7
233.11684	7.4
243.10219	51.6
243.13824	11.0
246.14580	4.9
261.11429	4.6
261.14838	6.8
267.10162	13.4
293.08444	6.0
301.08679	4.9
315.08298	5.9
319.09613	8.1
323.15347	4.7
337.10910	18.8
341.16028	9.7
355.11703	10.3
365.10596	11.8
365.15958	7.6
383.11343	31.4
383.16083	8.4
401.12335	34.9
401.17447	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	401.0098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	8.4
69.14715	7.7
69.15149	8.0
71.95267	2.4
77.07050	1.1
81.23436	1.3
98.97594	100.0
116.98631	47.1
117.98975	1.3
119.01915	2.2
134.99661	15.1
153.00746	1.5
172.94341	2.2
177.00992	2.7
216.98827	2.6
219.02045	2.4
220.02090	1.6
232.96587	3.0
234.99905	2.8
236.92868	1.3
240.98920	5.7
256.96454	5.7
258.99823	68.5
260.00040	2.4
261.00070	2.7
261.03091	4.8
263.02979	2.7
264.85849	1.5
274.97540	34.0
275.98032	2.8
276.97507	7.1
277.00827	61.8
278.01031	3.2
279.01089	2.1
283.00040	14.0
284.00250	1.7
284.99789	3.5
292.98590	14.0
293.98990	2.1
294.98767	2.6
301.01077	10.7
302.01083	2.4
303.00906	4.6
303.38531	1.3
316.98813	2.0
359.03506	1.5
383.00092	6.3
400.97086	1.5
401.01169	20.9
418.98044	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	401.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	5.2
55.05516	3.8
58.99580	12.1
60.21899	2.7
61.01162	55.5
67.05489	7.9
69.03419	3.8
69.35873	20.6
69.36293	7.4
72.93954	3.1
73.02908	7.3
79.05509	15.6
81.03429	5.2
81.07065	6.3
84.33781	2.7
86.99041	7.4
89.00628	62.8
91.05493	38.4
91.70147	2.6
93.07048	18.5
95.04987	5.6
97.01083	3.1
97.02911	6.6
98.21547	5.4
100.13080	3.6
103.05470	6.7
105.00076	3.6
105.07053	34.9
107.08625	4.7
109.02889	5.9
109.06512	7.5
115.05450	8.8
117.07043	21.2
119.04921	4.1
119.08561	13.3
121.06505	9.6
123.04412	5.7
125.02405	3.5
128.06226	32.1
129.07010	28.9
130.07771	5.8
131.08589	32.3
132.99548	7.3
133.06497	9.1
133.10132	5.5
133.22647	2.9
134.07318	4.3
135.04395	3.2
139.27971	3.2
141.07014	25.4
142.07765	13.6
143.08580	89.7
144.09331	4.8
145.06479	11.8
145.10168	25.9
147.08060	13.1
149.06107	3.4
153.07013	7.8
154.07785	36.7
155.08542	19.3
156.09378	8.6
157.10150	10.9
159.08041	15.4
159.11711	21.1
161.09648	8.7
165.07018	3.9
165.09122	3.5
166.07816	3.8
167.08556	7.1
169.06523	4.9
169.10146	97.5
171.08051	22.5
171.11711	19.5
172.08815	5.4
173.05963	5.7
173.09628	10.9
175.07678	4.9
179.08591	13.4
181.10065	6.0
182.07225	7.4
183.08005	4.1
185.09584	16.2
187.11197	38.3
189.09169	9.9
197.09627	49.9
199.07570	14.4
199.11243	8.3
201.07333	5.4
201.09105	4.0
203.10680	7.0
215.10698	100.0
225.09128	30.3
231.10262	10.6
233.11749	9.2
243.07707	5.4
243.10191	91.4
247.07790	6.3
249.11253	8.4
261.11258	13.4
273.09448	8.2
275.07394	12.4
291.10516	14.1
292.83444	3.1
293.08606	8.4
301.08969	4.3
319.09848	14.7
337.11127	25.1
365.10626	14.3
383.11609	43.3
384.11990	4.4
401.12573	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	400.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36050	2.5
55.01873	5.3
58.99584	6.2
61.84382	2.5
65.03909	3.9
67.05506	8.2
69.96298	6.9
69.96689	7.1
70.02950	9.4
70.68837	2.5
73.02900	6.5
74.00669	3.1
76.02238	6.0
79.05500	10.3
81.03441	3.8
81.07054	8.1
85.01145	27.1
88.02212	25.0
88.03998	83.8
88.07006	2.6
91.05491	22.0
93.07039	17.5
95.04978	6.5
95.08614	4.3
97.01114	10.9
97.02897	5.4
105.07038	25.8
107.08599	6.9
109.02917	3.4
109.06514	3.5
115.05503	6.4
117.07043	21.1
119.04977	7.3
119.08567	18.4
121.06512	5.3
122.02740	16.6
123.04481	2.9
126.03741	7.4
128.06215	22.1
129.07030	25.0
130.07817	2.7
131.01637	10.1
131.08575	29.6
135.08076	3.8
137.04155	5.1
141.07011	17.6
142.07776	9.5
143.08582	54.4
145.06471	5.4
145.10149	29.3
147.02676	4.1
147.08044	7.2
152.06224	3.3
153.06999	7.3
154.07736	21.8
155.08589	18.2
156.09372	5.6
157.06531	5.5
157.10164	10.9
159.08101	9.6
159.11707	8.7
161.04251	12.6
161.09734	3.9
163.05817	4.6
163.07542	6.4
165.07021	3.9
167.08600	22.8
169.10127	56.6
171.08089	14.4
171.11708	33.9
172.04398	3.6
173.05902	3.5
173.09608	8.5
173.13304	11.5
175.05908	4.6
175.07614	5.9
179.08600	8.0
181.10136	4.0
182.07306	4.3
183.08044	4.1
185.09679	13.6
186.04878	6.5
187.07550	6.5
187.11153	15.0
189.09064	5.9
195.08022	4.4
197.09622	36.7
199.07568	7.7
199.11276	8.2
201.07358	30.5
201.09088	7.0
203.08936	7.5
203.10773	4.3
213.09137	9.3
215.10703	40.0
217.12263	9.7
219.08386	5.2
225.09116	15.6
233.11824	6.9
243.10170	40.2
247.07867	27.7
249.09544	6.2
261.11234	18.9
265.08905	7.3
275.07422	11.3
277.09027	5.2
293.08487	33.1
295.10123	9.8
311.09518	25.2
318.11536	5.8
336.12640	18.2
346.11209	3.0
354.13654	15.0
364.12228	18.7
365.10593	11.6
382.13202	65.7
383.11899	6.4
400.14304	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
61.19844	0.4
69.03423	0.6
70.06599	2.8
70.27795	1.3
72.08157	0.8
81.03426	0.7
85.01136	0.6
85.02905	1.2
86.09705	0.6
88.02177	0.5
88.03986	1.5
89.03914	2.5
91.05471	0.7
93.07022	0.6
97.02871	0.6
98.20782	0.4
98.97582	0.7
105.07024	0.9
109.02853	0.6
117.03391	11.7
117.07019	0.6
119.04982	0.5
120.08076	1.2
128.06245	0.5
129.06963	0.6
131.04863	0.6
131.08539	0.6
131.47211	0.5
132.05280	0.5
134.03607	0.6
143.08583	0.8
145.02856	41.1
145.10138	0.7
149.05991	4.7
160.08737	0.4
161.04230	0.4
163.03886	0.6
169.09990	0.9
171.11653	0.4
174.12782	1.9
177.05481	100.0
178.05873	1.1
187.11310	0.5
192.13828	1.6
215.10591	0.6
238.10753	21.3
238.14313	3.5
293.08368	0.7
324.06415	0.4
336.12787	0.5
358.08020	0.4
382.13239	0.9
400.15720	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	399.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91827	0.6
51.96466	0.6
53.03939	2.4
55.05514	65.2
57.31143	0.7
58.85894	0.7
59.83178	0.7
61.32099	0.7
67.05502	3.1
69.07054	0.7
70.03370	2.4
79.05490	2.1
81.07059	5.2
83.04986	100.0
91.05498	3.8
93.07047	6.1
95.08595	5.2
102.00053	0.7
105.07037	9.2
107.08606	11.2
109.10169	2.6
117.07019	1.3
119.08606	4.3
121.10131	3.8
123.11741	0.8
129.07007	1.3
131.08589	5.1
133.10147	2.7
134.23953	0.7
139.15630	0.7
140.97133	0.8
142.07864	1.1
143.08560	4.3
145.10146	7.6
147.11705	2.7
155.08566	6.1
157.10139	4.0
159.11690	8.2
161.13272	1.4
169.10126	6.4
171.11700	6.4
173.09703	1.3
173.13312	3.4
175.11067	0.8
182.11066	0.9
183.11760	2.9
185.09662	0.7
185.13324	1.4
187.11168	0.7
187.78580	0.8
189.12782	2.0
189.26689	0.8
191.10730	1.3
197.13242	10.5
203.10768	0.7
203.25638	0.7
205.12308	2.3
207.06670	0.9
211.14792	5.1
211.16432	0.6
217.12384	1.6
225.16418	3.1
243.11690	0.8
243.13948	3.1
253.19524	33.1
254.20093	0.9
271.17758	1.1
271.20584	7.4
281.19220	0.9
299.20093	21.4
317.21140	3.8
393.97641	0.8
399.10696	1.2
399.21530	1.7
399.25464	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	399.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.05516	69.4
67.05518	6.9
69.07063	3.5
70.44266	3.4
70.44608	1.0
75.21898	1.1
79.05483	3.2
81.07039	5.8
83.04989	100.0
88.07585	1.5
91.05489	3.7
93.07050	8.3
95.08614	7.0
97.06544	1.3
97.10145	1.2
105.07047	12.2
107.08594	6.4
109.10143	7.7
117.07006	1.6
119.08578	7.7
119.31350	1.1
121.06497	2.2
121.10139	2.9
123.11687	1.7
129.07054	1.7
131.08583	7.1
133.10143	3.7
134.40971	1.1
135.11737	1.1
139.45479	1.2
143.08519	2.5
145.10080	6.0
147.08127	1.6
147.11717	2.9
149.09677	1.4
155.08565	3.2
157.10118	4.4
159.08124	1.7
159.11703	4.6
161.13260	3.8
169.10141	2.7
171.11739	3.4
173.09642	4.2
173.13272	3.1
175.11119	1.4
183.11609	2.0
185.13219	1.5
187.11136	1.9
189.12755	2.9
197.13252	5.1
201.12794	1.5
204.96553	1.1
210.28009	1.2
211.14877	1.8
213.09143	1.5
215.14224	1.5
219.13843	2.1
253.19543	21.9
253.22156	1.7
261.14984	1.4
271.20590	36.3
299.20050	8.3
317.21100	1.4
325.18124	2.6
337.32706	1.6
343.19055	3.8
381.24463	2.3
399.25546	14.8
399.36639	5.9
402.12326	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
53.89975	2.2
55.05274	2.8
55.05518	40.9
59.23625	2.7
60.82748	2.4
67.05505	8.9
69.07092	5.4
71.51585	4.6
79.05500	15.5
81.07074	19.2
83.04993	47.6
85.84946	2.4
91.05499	18.2
93.07046	20.7
95.04990	2.6
95.08628	14.8
97.10201	2.8
105.07053	31.9
107.08617	20.6
109.10150	7.4
117.07007	4.7
119.08604	14.0
121.10136	12.2
127.11217	3.4
129.06989	6.5
131.08585	52.8
133.10132	10.3
135.11671	2.8
143.08531	13.8
145.10109	19.0
147.11725	10.0
155.08603	16.8
156.09366	2.4
157.10161	10.9
159.11728	21.8
161.09610	2.6
161.13226	17.2
163.03894	4.9
169.10149	15.9
171.11707	22.5
173.13280	31.0
175.11217	2.6
183.11736	11.5
185.13304	3.2
189.12772	3.8
197.13272	30.5
201.12788	3.2
205.12253	3.0
207.06602	7.3
207.13766	4.7
211.14857	12.4
215.57103	2.6
217.12212	14.2
219.13882	6.5
225.16373	8.7
243.09125	3.4
253.19548	100.0
253.22209	5.0
257.15555	3.1
271.17242	4.9
271.20575	8.8
281.18976	9.6
299.20129	74.5
399.10846	5.4
399.25436	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67615	2.4
53.03956	6.6
55.05513	77.5
55.87423	2.5
57.03424	3.1
67.05513	24.2
67.07839	2.7
69.03432	3.1
69.07072	8.4
71.04992	3.6
71.51507	3.3
79.05497	16.7
80.55617	2.7
81.07062	19.0
83.04985	100.0
83.08607	3.8
85.10184	3.7
91.05492	16.3
93.07045	31.4
95.04967	3.0
95.08620	30.6
97.10172	4.4
105.07038	45.8
107.08603	57.8
108.08886	2.7
109.06516	5.7
109.10176	24.8
115.05418	3.4
116.06255	3.4
117.07024	11.0
119.08578	37.5
121.10165	20.3
122.48996	2.3
122.54666	2.3
122.65750	2.8
123.11710	3.6
125.09630	7.0
127.11211	5.7
128.06236	2.8
129.07007	8.0
130.07777	4.3
131.08578	28.6
133.10152	19.9
135.08040	3.4
135.11708	7.9
137.05898	2.4
137.09636	3.8
142.07822	5.2
143.08560	12.8
145.10118	40.0
147.11697	44.8
151.07510	3.4
155.08536	14.1
157.10112	16.9
159.11700	29.4
161.09621	6.7
161.13251	12.7
163.11238	4.5
165.12796	7.3
169.10130	12.4
171.11729	16.8
173.09605	8.0
173.13275	11.5
182.10844	4.2
183.11731	12.6
185.13283	3.5
187.07504	2.7
187.11246	2.9
193.12183	13.6
195.36487	2.6
197.13310	25.7
199.14836	3.5
203.10666	4.6
205.12292	8.4
207.13805	3.7
209.13263	5.1
211.14771	19.3
213.05493	8.0
213.09125	3.6
217.12387	5.8
220.87813	2.6
225.16490	5.4
229.64365	2.7
231.13803	4.1
243.21059	11.7
253.19527	88.8
254.19836	3.8
257.15390	8.5
271.16870	2.9
271.20566	16.2
281.18939	5.4
299.20050	65.4
313.46045	2.9
325.18048	4.1
343.19031	7.6
381.24585	3.1
399.12497	3.6
399.25397	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03790	0.7
53.03946	1.8
55.01865	1.5
57.03444	6.5
61.02925	3.0
65.36505	0.7
69.03438	7.2
69.55330	5.4
71.04996	1.7
73.02905	1.0
77.03900	1.1
81.03422	4.4
85.02913	24.9
87.04443	1.4
87.74144	0.8
91.03979	1.0
91.84403	0.8
97.02904	7.2
99.04460	2.7
102.04697	0.9
103.03958	3.2
103.05477	51.5
105.07050	1.0
109.02885	3.3
115.05465	0.8
117.05492	1.0
125.92341	0.7
127.03951	6.6
130.04146	1.1
131.04939	100.0
145.04980	3.3
148.05203	12.0
161.05971	4.2
163.07556	44.4
164.07790	0.8
175.07587	1.2
201.09145	2.7
232.73106	0.7
236.55193	0.8
237.11217	2.0
288.08472	0.7
309.95944	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
53.67158	1.3
55.01874	2.4
55.05506	4.7
57.03440	2.5
57.07055	1.4
59.15227	1.3
63.16447	1.3
67.05514	6.5
69.03413	4.2
69.07061	3.0
70.06580	5.9
71.04990	4.5
79.05486	5.2
81.03407	2.1
81.07054	20.1
85.02901	8.1
91.05493	9.0
93.07059	11.0
95.04945	3.7
95.08628	7.4
97.02897	4.2
97.06528	2.5
100.36066	1.3
105.06391	2.3
105.07038	22.2
107.08611	9.5
109.02873	1.9
109.06546	2.9
109.10151	5.4
117.07019	1.9
119.08587	14.5
121.06536	1.3
121.10123	6.2
123.08080	2.9
123.11691	3.5
125.09659	9.4
127.03912	2.7
130.62834	1.3
131.08574	2.6
133.10136	7.4
135.11765	1.7
137.09633	7.3
143.08585	1.8
143.10689	7.3
145.06575	1.5
145.10123	8.1
147.11699	25.4
149.09624	2.1
157.10097	3.7
159.11700	6.6
161.06053	2.1
161.13281	3.8
163.11166	1.5
164.74255	1.3
171.11702	1.7
173.13293	2.0
175.07629	1.8
183.11748	2.1
201.16385	5.7
203.17996	1.6
209.11792	1.8
219.17377	10.3
221.11697	2.2
229.15491	1.9
243.10704	2.3
267.12033	14.4
324.40726	1.3
337.16232	2.1
345.20181	1.4
353.15674	5.5
355.08344	2.0
381.15182	7.0
399.16281	100.0
400.16458	2.9
403.37604	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	2.3
57.03429	2.0
68.98273	1.9
69.03409	5.0
70.32951	1.0
71.44377	2.0
81.03416	2.2
84.96012	1.4
85.02920	10.3
86.60562	1.2
90.93027	1.0
97.02894	13.4
98.97598	5.2
101.00904	10.3
102.05559	2.3
102.74986	1.1
109.02873	2.0
110.97585	2.7
112.07632	3.3
113.00854	3.5
115.02419	1.8
116.90046	1.3
116.98580	1.6
119.01931	13.6
127.02415	2.7
127.03901	1.5
131.01929	9.3
131.04926	2.1
133.03503	1.4
134.55717	1.1
136.06194	7.6
137.02312	14.7
140.05608	2.7
143.01865	4.4
145.03490	10.7
155.01862	7.9
157.03473	4.5
158.06674	10.0
158.99426	1.5
161.01372	1.3
161.02936	7.5
165.03972	1.5
167.01897	2.7
169.03381	3.5
170.00662	1.5
170.06653	3.0
173.02968	8.1
175.04523	2.0
176.07637	3.1
177.00343	4.4
179.01953	1.8
181.03423	2.6
183.01601	1.2
183.05028	2.0
185.02979	5.5
186.04443	1.3
187.04478	2.3
188.07697	9.2
189.03975	1.1
193.03523	2.0
195.01393	23.8
195.05026	1.7
197.02988	9.2
199.04558	1.4
203.02211	1.4
203.03998	5.3
205.03473	2.1
207.04922	1.6
209.03001	2.7
211.04578	2.7
213.00565	1.4
213.02454	21.1
216.04921	1.1
217.03493	1.3
219.01509	8.9
221.02956	3.2
221.05066	5.3
223.00851	2.0
223.04503	2.7
224.07719	4.5
225.10837	2.5
231.01402	4.3
231.03496	16.0
233.03038	2.7
235.04451	2.3
237.02495	23.4
237.06158	1.6
239.03938	3.4
242.08771	2.3
244.04289	1.7
245.03004	2.4
245.05057	7.8
247.04494	2.8
249.02467	8.0
250.09328	5.4
251.03987	6.3
251.12444	8.9
253.01979	1.1
253.12224	1.6
255.03560	21.9
257.05081	1.7
261.02527	3.2
263.03937	6.5
263.12396	4.8
265.02246	1.2
267.03577	7.0
269.05042	3.8
269.13541	2.7
270.08340	14.4
273.02237	2.0
273.04837	2.1
279.03436	12.8
281.05130	8.2
281.13449	18.5
283.13388	2.5
288.09280	7.3
291.03534	17.4
297.04498	7.6
299.06198	1.2
303.03421	1.4
309.04514	4.0
321.04608	8.4
327.05746	1.5
339.05649	100.0
340.05981	5.9
357.06686	68.0
357.10413	1.6
358.06888	3.7
375.08023	1.6
380.08112	1.5
393.08905	3.7
399.07452	8.2
399.12262	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	398.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
55.05517	7.6
56.05029	3.4
57.03405	1.1
57.07078	4.0
60.04528	100.0
67.05508	14.3
68.05039	1.0
69.07070	7.0
70.06592	1.4
71.08642	1.2
71.51576	1.3
72.04525	2.7
74.06083	5.6
79.05495	6.9
80.05036	1.0
81.07059	14.0
82.06594	2.9
83.04987	1.4
83.08639	6.3
84.08155	0.8
85.10229	1.0
86.06065	0.9
90.05563	2.1
91.05488	5.9
93.07044	5.6
94.01925	0.8
94.06010	0.7
94.06575	1.8
95.08617	11.1
96.08134	1.7
97.06561	1.4
97.10173	3.1
98.06023	0.9
100.07642	1.2
100.11277	2.5
105.07053	2.9
107.08607	2.3
108.08166	0.8
109.10168	3.7
114.12813	0.8
119.08618	2.3
120.19868	0.9
121.10153	2.1
122.09692	0.9
123.11710	2.4
125.90028	0.8
133.10156	1.4
135.11661	1.5
135.25542	0.8
136.11192	0.9
142.12292	2.0
144.13843	45.2
221.15582	0.7
231.15735	0.8
250.25415	1.3
251.23586	1.1
259.30719	0.8
262.25327	1.9
280.26355	21.2
298.27402	24.7
362.34085	0.8
380.35205	3.0
398.36298	42.2
399.36539	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	43.2
57.07067	90.1
57.07554	26.4
69.03415	62.1
81.07055	38.2
83.04976	48.2
91.05482	100.0
93.07031	95.6
105.07013	61.1
107.08567	44.2
117.07034	38.1
119.08606	50.0
129.07028	34.3
131.08653	36.9
137.06041	40.3
143.08554	47.3
144.64894	29.3
145.06477	41.7
145.10150	51.9
149.06010	81.6
159.08025	44.0
171.08096	46.1
195.67610	31.1
213.09117	56.4
215.10709	34.6
243.10170	44.8
243.14355	30.7
270.05591	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56005	0.3
53.00237	0.4
55.05516	1.5
57.07064	0.4
62.06054	0.4
67.05487	0.8
69.07073	2.6
69.59377	0.6
69.59787	2.0
70.06557	1.2
71.04985	0.4
71.08637	5.4
72.08120	1.5
79.05463	1.0
79.42615	0.4
81.07069	2.5
82.06567	0.3
83.04948	0.7
83.08605	0.4
84.04485	0.6
84.08109	1.4
86.06069	2.8
88.07629	0.4
93.07011	1.1
95.04865	0.3
95.08610	1.8
96.08154	2.5
96.08663	0.5
97.06496	0.8
97.10152	0.4
98.06024	1.1
98.09689	2.9
99.08102	2.1
105.07030	0.5
107.08557	0.8
108.08077	1.3
109.10178	0.4
110.09678	0.7
111.11722	0.4
111.18559	0.3
112.11237	0.3
112.57721	0.3
113.08350	0.6
116.10735	17.2
119.08621	0.4
121.08821	0.4
121.10114	0.9
122.09710	1.6
124.07559	0.6
126.09168	0.6
131.08549	0.3
132.97144	0.3
136.11237	0.7
139.09938	0.3
139.11134	0.6
140.10715	0.6
143.10654	1.7
154.15915	3.4
164.14307	0.7
166.15903	2.4
168.17422	0.9
170.15451	0.4
178.15889	1.6
183.50046	0.3
196.16985	7.3
210.14909	0.5
211.13292	0.6
214.18030	100.0
215.18379	1.6
229.14322	2.2
256.26434	1.1
264.65823	0.3
282.20612	1.8
300.21713	4.0
318.05780	0.4
318.30148	2.0
343.19260	0.5
380.28165	0.4
381.24008	0.4
398.24265	15.6
398.29129	3.6
399.25174	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.3
54.77447	3.3
55.05508	13.2
56.30888	3.4
57.03427	7.8
59.88234	3.4
61.02919	8.9
67.05506	12.1
69.03436	53.3
69.07064	12.4
70.13634	3.4
70.55561	10.9
71.04995	6.4
73.02943	5.3
74.03162	4.0
79.05500	14.0
81.03423	13.0
81.07066	52.6
83.08633	3.8
84.08143	3.3
85.02911	59.0
86.09679	3.7
91.05494	50.1
93.07060	29.4
95.08612	53.3
97.02915	20.4
97.06572	5.5
97.10169	4.3
98.90282	3.6
105.07040	100.0
107.08595	54.5
109.02901	8.0
109.06522	6.5
109.10162	18.5
111.08101	4.2
115.05467	6.7
117.07030	10.4
119.08582	45.4
120.18562	3.6
121.06492	4.0
121.10153	11.4
123.08067	17.0
125.09671	23.2
127.03912	10.6
128.06189	6.7
128.31937	3.4
129.07060	9.7
131.08588	54.3
133.10146	59.0
137.06024	5.9
141.07034	3.5
142.07770	6.6
142.80922	3.7
143.08588	30.7
145.04985	9.7
145.10156	35.2
147.08061	4.4
147.11690	16.7
149.09636	12.4
156.09409	7.7
157.10146	30.4
159.11700	30.2
161.09653	8.7
161.13278	8.6
171.11688	21.5
173.13300	14.6
175.11098	4.8
175.14888	4.4
189.12761	9.3
189.16412	34.9
199.14854	37.9
217.15886	47.2
235.16927	8.6
383.15939	3.6
397.22617	5.8
410.14908	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	397.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02042	2.1
51.45909	2.5
53.03939	7.3
55.05518	80.5
67.05497	10.7
69.03153	3.0
69.03443	31.3
69.07058	5.0
69.83692	13.9
71.05000	2.6
79.05500	12.7
81.03423	6.9
81.07075	14.9
83.04988	100.0
85.02895	4.8
85.06532	4.8
91.05493	19.8
93.07047	18.3
95.04957	8.8
95.08596	8.5
97.02892	7.3
97.06562	4.5
99.04437	4.7
105.07046	19.3
107.04942	4.7
107.08579	10.0
109.02904	6.0
109.06531	6.2
109.10154	11.4
111.04444	6.1
113.05994	9.0
114.09175	12.3
115.03919	11.8
117.07024	10.7
119.08594	13.2
121.06521	14.3
121.10148	6.1
123.04457	3.6
127.03941	5.9
128.06221	8.6
129.07016	13.6
131.08586	11.9
133.06511	4.3
133.10153	6.3
135.08070	7.7
135.11691	4.9
137.05969	19.2
141.07045	7.6
142.07767	7.4
143.08557	11.4
145.06497	7.4
145.10129	11.2
147.04419	3.0
147.08067	9.6
147.11726	5.8
149.05946	6.0
149.09602	4.3
151.07458	3.3
153.07050	4.2
154.07706	6.2
155.08539	10.3
157.10103	10.0
159.08040	7.0
159.11711	3.9
161.05983	4.0
161.09618	7.7
163.07594	3.6
163.11162	2.8
165.05626	4.1
165.07079	2.6
165.09091	4.3
167.08521	5.8
169.10114	14.1
171.08055	6.8
171.11691	3.7
173.09665	9.9
175.07584	7.4
175.11224	5.1
175.14940	3.4
179.08476	4.3
182.07240	4.3
183.08177	3.4
185.09598	11.4
187.07530	6.4
187.11191	8.1
189.09125	6.4
189.12799	4.4
191.06963	5.2
193.15877	4.0
197.09708	14.2
199.07635	5.0
201.09076	6.5
203.10876	4.9
211.16988	4.1
213.09106	9.1
215.10741	20.7
217.12320	4.3
217.59392	2.7
225.09161	5.5
231.10141	9.1
233.11819	6.4
243.10184	27.1
247.16972	3.2
254.04700	3.8
255.05293	2.8
261.09024	3.8
261.11298	38.7
273.11276	8.0
279.12274	23.5
297.13385	18.8
379.15610	2.8
397.18765	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	397.186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33136	3.5
53.03939	7.9
55.01873	11.0
55.05506	11.6
57.03426	5.7
59.04996	18.3
65.03918	4.8
67.05511	24.2
69.03436	100.0
69.07072	4.7
69.72713	18.2
70.06621	4.0
71.04985	9.7
79.05488	30.6
81.03413	14.4
81.07076	18.7
83.04987	49.9
85.02934	8.6
85.06546	25.4
91.05495	60.2
93.07053	35.6
95.04967	37.0
95.08617	7.5
97.02885	26.0
97.06511	7.9
98.20798	4.9
99.04471	6.1
103.05467	11.8
105.07040	51.3
107.04958	17.0
107.08591	15.2
109.06535	17.7
111.04452	8.4
111.08073	5.8
113.06029	15.8
114.92297	3.6
115.03949	17.4
115.05467	16.8
115.82328	3.7
117.07030	34.4
119.04951	12.8
119.08588	24.0
121.02904	3.8
121.06527	33.5
121.10117	10.7
123.04449	6.6
123.08072	5.2
125.06021	4.6
127.03915	8.7
128.06232	27.4
129.07013	29.7
130.68216	4.2
131.04947	9.3
131.08583	28.1
133.06493	17.0
135.04404	7.8
135.08070	12.2
137.06001	10.7
141.07011	32.2
142.07791	12.5
143.08565	37.3
144.05638	4.4
145.06514	31.8
145.10129	19.4
147.04478	5.4
147.08055	29.9
149.05986	12.4
149.09627	7.9
151.07571	10.3
152.06229	6.4
153.07016	15.6
153.41434	4.4
154.07774	27.3
155.08540	36.0
157.06520	10.0
157.10149	21.8
158.07268	9.2
159.08063	27.9
159.11713	10.1
161.05998	10.6
161.09621	17.8
163.07518	15.4
165.07018	7.0
165.09195	4.9
166.07828	5.1
167.07155	8.4
167.08603	19.6
169.06642	4.8
169.10139	44.4
171.08076	18.7
171.11722	5.7
173.06075	10.2
173.09633	33.9
175.07579	13.0
175.11211	5.3
177.09093	5.0
179.08614	13.7
181.08647	6.3
181.10117	5.5
182.07298	8.4
183.08086	8.9
185.09566	26.3
187.07616	9.2
187.11197	22.3
189.09106	21.0
191.07036	12.6
191.10689	9.0
197.09628	54.9
199.07497	5.9
199.11212	10.0
199.99107	4.1
201.09152	27.7
203.10690	10.2
205.08620	9.0
205.12245	5.7
211.11209	4.5
213.09145	19.9
215.10699	58.5
217.08643	27.2
217.12186	4.8
219.10193	13.0
222.21561	4.2
223.09636	6.0
225.09152	28.9
231.10161	16.7
233.11752	20.5
234.85992	3.9
243.10178	63.0
247.13304	7.0
257.11713	8.8
261.11307	60.3
275.12756	10.9
279.12231	14.6
293.13931	23.8
311.14938	13.1
373.15045	7.1
397.14188	4.2
397.18842	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	397.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.4
55.05515	73.1
63.76683	2.7
67.05500	4.2
69.03436	32.4
70.10091	4.7
70.10486	5.8
79.05478	8.6
81.07050	5.1
83.04989	100.0
85.02850	2.7
88.12636	2.6
88.60387	2.4
90.07394	2.3
91.05488	14.2
93.07042	14.5
95.04973	14.4
95.08594	4.3
97.02908	6.3
97.06519	5.0
99.04446	3.6
101.06026	2.4
105.07025	10.3
107.04963	4.1
107.08586	9.7
109.06489	4.1
111.04457	7.2
113.06039	6.5
115.03938	7.8
115.05463	4.2
117.07033	8.3
119.08599	10.7
121.06512	14.9
128.06189	7.9
129.07013	7.2
131.08585	9.9
133.06465	2.9
135.08055	5.1
141.07002	6.9
142.07732	2.3
143.08534	9.4
145.06459	6.3
145.10121	7.9
147.08076	10.0
147.11719	3.2
148.57457	2.4
149.05997	6.9
151.07538	5.4
154.07764	4.1
155.08514	7.3
157.06458	3.7
157.10147	3.5
159.08086	8.2
161.09657	2.9
163.07533	4.9
167.07072	9.3
169.10152	11.0
171.08052	3.2
171.11739	3.0
173.06035	3.7
173.09612	13.0
175.11206	5.1
179.07005	6.8
185.09579	4.8
187.11127	6.9
189.09105	4.9
191.07039	3.5
197.09631	11.5
199.11272	3.3
201.09146	9.4
203.70207	2.5
213.09222	3.9
215.10753	16.8
217.12308	3.9
219.10237	2.9
225.09149	3.6
231.10141	3.8
233.11726	6.4
242.00798	3.1
243.10213	21.0
261.11267	62.9
279.12268	18.6
297.13348	5.3
313.38168	2.8
358.92529	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	397.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.7
55.01867	10.1
55.05515	12.0
57.03433	4.8
59.04999	19.4
61.02936	3.3
65.03933	7.0
67.05510	18.8
68.99778	6.1
69.03430	100.0
69.07063	4.6
71.04977	10.6
71.50934	2.1
71.51326	3.1
79.05061	3.6
79.05493	35.2
81.03438	11.2
81.07062	18.9
83.04987	37.9
85.02907	11.4
85.06545	17.7
87.00823	3.3
87.08103	2.3
88.01328	2.3
91.05485	63.2
93.03390	2.7
93.07047	44.3
95.04982	35.6
95.08619	3.9
97.02888	19.7
97.06518	7.5
99.04475	5.8
99.08102	4.7
103.05476	12.6
105.03410	3.0
105.07038	46.2
107.04969	21.8
107.08593	10.8
109.02869	7.4
109.06517	10.1
111.04446	9.2
111.08089	5.9
113.06034	11.6
115.03941	15.3
115.05431	15.5
117.07024	38.5
119.04939	10.6
119.08599	28.2
121.06500	29.4
121.10132	13.7
123.04423	6.7
123.08098	5.2
125.06008	5.4
127.03934	7.5
128.06239	25.8
129.05508	4.1
129.07010	35.1
130.07834	6.1
131.04901	6.5
131.08585	33.8
133.06523	15.9
133.10149	6.0
135.04422	10.1
135.08060	14.8
137.05974	11.0
137.09610	4.0
139.07533	4.3
141.05505	3.1
141.05898	3.3
141.06979	26.4
142.07790	9.9
143.08574	38.3
144.05717	4.1
145.06494	23.2
145.10135	26.2
147.04405	7.3
147.08052	29.1
147.11703	2.3
149.05984	9.1
149.09633	10.9
151.07552	6.6
152.06171	3.3
153.05577	4.5
153.06984	13.9
154.07764	24.7
155.08588	30.6
156.09364	4.1
157.06491	8.5
157.08995	2.0
157.10104	16.0
158.07237	7.2
159.04445	2.8
159.08069	30.1
159.11716	11.0
161.05992	9.3
161.09636	15.5
163.07555	11.4
165.05548	5.1
165.07001	7.2
165.09126	8.6
166.07768	3.8
167.07077	8.5
167.08572	20.6
169.06468	3.8
169.10147	47.0
170.07262	3.6
171.08038	22.6
171.11708	7.9
172.08894	3.7
173.06004	9.3
173.09645	32.9
175.07582	13.3
175.11292	3.4
177.05486	4.9
177.09149	7.1
179.07149	4.0
179.08554	12.1
181.06631	3.2
181.08603	5.3
181.10149	4.5
182.07259	7.1
183.08025	10.6
185.09641	25.3
187.07561	10.3
187.11208	24.2
189.05531	3.5
189.09102	18.2
191.07042	12.3
191.10678	6.4
193.08603	5.0
195.08101	3.1
196.08798	2.8
197.08057	4.4
197.09650	44.4
199.07539	8.9
199.11215	14.0
201.09103	25.6
203.07056	3.4
203.10658	9.5
205.08661	9.0
205.12335	2.6
210.06665	2.7
213.09088	18.3
215.10687	55.3
217.08589	29.8
217.12213	2.7
219.10107	10.5
221.11720	3.1
225.09120	26.8
229.12302	3.7
231.10199	18.7
233.11763	19.5
235.09695	5.0
239.10709	2.2
243.10185	61.7
245.11649	4.3
247.13420	2.5
249.11296	7.4
257.11740	8.2
261.11237	67.2
275.12766	13.4
279.12314	16.4
293.13834	24.9
301.06808	3.0
311.15201	10.6
323.28528	2.3
397.18634	4.6
418.89935	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	397.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
54.69910	2.0
55.01871	3.0
55.05513	82.1
57.07066	3.1
60.51041	2.1
61.81427	1.8
67.05495	5.8
69.03435	37.8
70.10507	7.4
79.05482	9.0
81.07043	5.7
83.04984	100.0
91.05487	16.2
93.07045	12.7
95.04995	12.0
95.08594	2.4
97.02884	4.4
97.06557	2.9
105.07037	10.9
107.04956	6.0
109.06551	3.2
111.04439	5.8
113.05992	9.9
115.03901	11.0
115.05403	4.3
117.07018	10.9
119.04919	3.2
119.08569	9.5
121.06502	16.0
128.06224	8.5
129.06984	8.9
131.08545	6.7
133.06500	5.6
135.04451	5.0
135.08058	4.3
137.05940	2.9
141.06967	7.6
142.07910	2.0
143.08546	9.1
145.06514	6.6
145.10124	6.6
147.08066	8.9
149.05971	6.9
151.07509	6.4
153.07021	4.7
154.07777	4.7
155.08566	6.7
157.06511	3.3
157.10191	2.3
158.07353	2.7
159.08060	6.8
161.05951	4.9
161.09605	2.8
163.07550	2.3
167.07045	8.3
167.08533	4.6
169.10147	10.0
171.08038	6.5
171.11646	4.1
171.59157	2.0
173.06027	6.1
173.09628	8.4
175.07509	3.4
175.11244	3.0
177.09132	4.2
179.07014	5.1
182.07271	3.4
185.09587	4.3
187.07399	3.6
187.11238	5.6
189.09056	4.6
191.07027	6.2
197.08066	2.4
197.09673	10.3
199.07678	2.3
199.11073	3.3
201.09123	8.3
203.10629	2.3
205.08542	3.9
206.89500	2.0
213.09102	5.1
215.10663	18.1
217.12398	3.1
219.10051	4.2
223.09663	2.5
225.09135	6.0
226.05296	2.0
231.10175	5.4
233.11746	3.9
243.10216	18.4
244.55670	1.9
249.11208	2.2
261.11221	68.3
261.78360	1.9
262.11652	2.6
279.12225	13.2
279.78244	2.1
297.13385	6.9
310.61737	2.1
349.86673	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52446	6.9
75.50504	1.1
84.08111	1.2
90.90564	1.0
95.95639	1.2
97.34289	1.1
98.97595	1.9
124.77861	1.1
138.69289	1.1
163.03958	2.5
177.19893	1.1
252.98076	1.3
291.88736	1.1
353.08682	1.8
397.11136	100.0
398.11307	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.9
55.01873	3.2
55.05512	3.7
67.05514	4.6
69.03437	11.7
69.07059	2.2
70.43996	1.8
70.44400	2.2
70.68692	5.9
77.15791	2.1
79.05504	16.5
81.03423	26.3
81.07080	12.4
83.04986	5.3
85.02907	7.0
91.05492	19.5
92.29314	1.9
93.07059	28.6
94.04204	3.6
94.92675	2.0
95.04974	5.6
95.08604	5.7
95.84518	2.4
97.02931	3.0
97.06532	5.6
99.04473	5.2
100.11288	3.3
103.05494	4.0
105.07046	18.3
107.04931	4.2
107.08604	12.9
109.02898	12.0
109.06505	6.9
109.10145	4.6
115.05470	3.0
117.07040	3.3
119.04972	8.3
119.08624	9.9
121.06496	9.2
121.10152	36.7
122.03655	6.7
127.03938	9.9
128.06248	4.1
129.01833	2.2
129.06998	9.3
131.08553	8.1
133.06488	4.3
133.10155	4.2
135.08083	4.1
137.05991	91.1
141.07002	4.0
142.07802	2.9
143.08562	5.3
145.06508	5.2
145.10143	7.5
147.02917	2.5
147.04410	2.4
147.08054	3.9
147.11691	9.1
149.06018	6.5
149.09621	14.1
151.07568	13.1
152.06203	2.4
153.06955	3.1
155.08556	7.3
157.06485	4.5
157.10110	3.0
158.07367	3.3
159.08096	7.9
161.05972	15.6
161.07040	1.9
161.09671	4.0
163.07669	2.0
163.11205	2.9
165.07040	6.4
165.12727	4.6
168.05669	3.0
169.06482	3.6
170.07344	3.7
171.08067	6.4
171.11716	4.8
172.05217	2.5
172.08865	4.9
173.09624	5.2
175.07556	4.9
175.11186	5.3
181.06421	3.4
182.07234	5.0
183.08109	4.2
184.08763	3.1
185.09634	13.8
186.06673	2.5
187.07561	8.0
189.12764	6.7
191.07094	4.8
191.10619	2.7
197.05994	3.2
197.09602	13.0
198.06752	19.1
199.07559	9.0
199.11200	3.1
200.08432	3.1
201.09122	4.6
207.13826	2.2
210.06868	5.3
211.07591	3.6
212.08348	6.4
213.09109	29.7
214.09624	2.4
215.10776	7.0
217.08636	5.2
217.12312	7.2
218.07372	2.6
225.09097	14.0
228.07846	2.2
231.10023	2.3
232.08731	2.6
235.16879	2.6
240.66592	2.3
242.09380	3.2
243.07948	3.6
243.10175	19.9
245.11732	3.1
247.13275	3.1
255.10258	6.1
257.09610	3.4
259.07581	2.6
261.09058	5.0
271.07489	3.1
273.11276	82.9
275.10614	3.0
276.07990	3.6
277.08658	3.1
285.09201	3.1
289.08795	2.5
290.09302	3.3
291.10425	2.8
293.08292	2.4
293.11606	4.3
301.12323	2.5
303.10150	4.5
305.11792	2.9
307.09601	8.4
308.10507	2.9
317.11716	3.0
319.13043	2.2
320.10452	2.4
321.11203	5.2
331.09558	2.4
333.10956	2.4
335.12976	5.4
349.14560	10.0
351.12415	6.0
353.13953	2.5
354.14557	12.2
367.15475	3.5
379.15500	9.4
397.16455	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	1.4
55.05517	16.0
55.05760	1.4
56.05040	4.1
57.07081	2.3
58.06618	0.7
60.04532	100.0
67.05158	0.5
67.05505	11.4
68.05043	1.7
69.07072	7.3
69.99465	1.3
69.99853	2.0
71.08636	1.5
72.04523	3.4
73.02924	0.7
74.06095	2.1
75.10188	0.7
79.05492	5.5
80.05032	2.3
81.07066	13.5
82.06596	3.4
83.04971	0.8
83.08632	10.5
90.05592	2.2
91.05489	4.1
93.07052	5.1
94.06602	1.6
95.04993	1.3
95.08620	10.6
96.08138	1.5
97.06553	1.2
97.10201	2.6
98.06073	0.9
98.09712	1.7
100.04511	0.6
105.07063	2.3
106.62608	0.6
107.08618	2.9
108.08170	1.2
109.10165	3.9
110.09670	1.0
112.07619	0.8
112.11221	1.7
112.96691	0.7
116.07113	0.8
119.08635	1.9
120.08147	1.0
121.10118	3.2
122.09682	1.8
123.11784	1.2
124.11268	1.2
133.10164	2.1
135.11752	0.8
140.10735	1.7
142.12283	37.8
147.11774	0.8
149.13301	1.0
160.28738	0.6
250.25317	2.1
251.23886	0.8
262.25479	2.7
263.23679	1.1
268.26373	2.3
280.26382	24.0
280.29324	1.4
298.27423	28.3
299.27881	0.7
348.40646	0.7
378.33713	2.5
396.34741	40.3
397.35294	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96767	0.8
69.03394	1.2
70.06585	4.2
71.50848	1.7
78.51008	0.8
80.49084	0.8
81.03408	1.3
84.04485	1.2
84.08153	1.8
85.02895	2.2
86.09674	1.2
91.05474	1.3
93.07081	1.0
95.59313	0.9
97.02923	1.0
98.97594	1.0
110.07140	1.0
120.08089	1.2
121.10194	0.9
127.03934	1.8
131.08522	0.9
137.05957	1.8
148.01350	1.4
149.02124	23.3
163.03972	1.7
167.85774	0.9
185.04282	1.2
204.06416	1.1
227.00288	1.1
227.05307	2.2
271.04214	7.5
273.11264	1.8
311.07309	11.1
353.08456	38.6
392.61047	0.9
397.07437	100.0
397.15646	3.8
398.07797	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	43.0
59.48449	21.5
67.05518	21.9
69.07064	57.5
79.05483	41.2
81.07053	72.9
83.04994	28.9
86.09692	32.5
91.05518	23.9
93.07056	43.8
95.05025	23.9
97.06533	66.4
98.20803	55.4
102.60908	19.9
105.07000	52.7
105.22937	20.8
107.08610	26.5
119.08570	39.6
121.10059	22.3
127.11217	71.9
131.08556	36.3
143.08635	28.2
145.10155	33.6
157.10240	27.0
162.09143	30.6
184.07356	100.0
225.16141	22.0
228.15714	23.1
228.98871	20.8
245.67413	21.3
262.24908	19.6
333.63672	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59997	2.2
53.03928	6.6
54.97751	2.0
55.01863	10.4
55.05511	4.6
57.03418	4.8
57.07064	5.1
57.99263	2.2
59.68321	2.1
59.69604	1.9
61.02916	6.1
68.99767	2.2
69.03437	37.1
69.07059	4.2
69.97986	8.6
69.98377	4.5
70.52462	2.1
70.86521	2.1
71.04985	5.4
73.02918	4.3
73.49193	2.3
81.03429	23.4
83.04967	6.1
83.08617	4.4
85.02911	100.0
85.06512	3.1
86.06078	2.7
86.09706	2.7
87.00841	53.3
89.12230	2.0
91.37852	2.2
93.07050	2.6
97.02901	38.8
99.04472	14.9
100.11268	17.9
100.26353	2.2
105.01872	65.1
108.04495	4.0
109.02895	36.8
111.04460	3.0
112.07590	2.6
114.09164	5.6
116.78151	2.1
117.01842	2.9
123.74400	2.1
127.03925	77.7
128.07024	3.5
129.01871	4.9
145.04976	36.1
159.02914	11.6
168.13876	23.8
180.94516	2.4
182.15488	3.8
184.16911	10.7
189.03941	4.5
196.13319	14.9
201.19667	4.4
210.14861	4.1
213.03931	4.0
228.16023	5.1
230.06686	2.6
231.05037	24.0
249.06047	6.6
311.23288	9.2
378.31033	3.6
392.97113	2.6
396.32260	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	396.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05918	1.7
53.03938	3.1
53.71643	1.6
55.01881	3.3
57.03437	11.9
57.07079	24.4
61.02917	4.7
67.05502	1.7
68.99773	1.7
69.03431	16.1
69.07073	3.6
70.06579	2.0
70.38499	3.5
70.38900	3.9
71.04991	4.7
73.02913	5.5
81.03425	14.2
81.07043	1.9
84.19698	1.4
85.02913	42.2
85.06537	5.5
87.00837	22.8
87.58848	1.5
95.08627	17.0
97.02895	21.5
97.06566	1.7
98.30537	1.9
99.04437	10.0
100.14848	1.5
105.01878	23.4
109.02895	12.3
110.06007	1.8
113.08884	3.2
113.09650	44.2
115.03886	1.9
117.01865	2.1
127.03926	32.2
129.01834	2.6
131.10687	100.0
137.05966	2.1
139.11217	2.0
145.04947	14.0
159.02873	5.8
199.13298	4.4
213.03952	2.7
231.05017	7.1
263.70447	1.6
351.12115	1.9
369.98886	1.7
399.54153	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	396.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05272	4.3
55.05516	58.9
56.96562	9.4
69.03450	2.7
71.51405	3.3
71.51820	3.5
73.08074	2.5
79.05488	9.0
83.04987	100.0
89.72068	2.8
91.05482	10.5
93.07033	6.6
103.05468	2.7
105.07024	8.6
107.04951	12.8
115.05472	4.2
117.06963	4.2
119.08643	3.2
119.55493	2.7
121.06489	3.7
128.06223	7.9
129.07047	4.9
131.08577	6.8
135.04472	4.5
135.08035	3.3
137.05965	4.2
138.31671	2.7
141.06993	8.9
143.08592	13.7
145.06509	3.7
145.10094	7.7
147.08073	3.9
149.06010	3.4
153.07007	6.0
154.07805	10.0
155.08533	6.0
159.08122	3.2
161.09682	3.7
166.07735	3.9
167.08537	4.2
169.10168	15.1
170.10477	3.0
171.08022	6.6
173.05928	3.0
173.09610	10.0
173.96356	3.4
177.09149	2.8
178.07874	3.9
179.08569	6.2
182.07233	5.6
185.09593	5.5
187.07478	3.1
187.11258	4.4
197.09622	16.9
201.09203	5.8
203.10721	3.6
213.09035	3.3
215.10664	14.6
219.10115	3.9
225.09114	14.6
225.82518	2.9
233.05211	3.1
243.10129	17.0
261.11261	14.0
289.07425	4.1
379.17407	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	395.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
55.05510	23.1
57.07084	27.9
65.03940	2.1
67.05181	3.3
67.05507	32.8
69.03430	17.0
69.07075	29.1
71.01346	5.8
71.05009	2.5
71.08636	19.5
74.67493	1.9
79.05496	16.9
81.03423	3.4
81.07065	57.3
82.13678	2.0
83.04976	6.1
83.08620	24.2
85.02911	100.0
85.06559	3.6
85.10192	13.9
91.05489	20.9
93.07050	15.3
95.04956	7.6
95.08614	43.4
97.06554	13.0
97.10172	17.4
105.07037	28.5
107.08589	18.9
109.06499	3.7
109.10157	22.2
111.04456	16.6
111.11700	10.2
113.05984	5.1
115.89377	2.3
117.06277	2.8
117.06973	12.3
119.08575	16.9
121.10119	7.9
123.08078	2.1
123.11699	8.8
125.13256	2.7
127.07560	8.8
129.06982	3.8
130.07741	2.2
131.08575	10.7
133.10121	25.6
135.08058	4.3
135.11684	9.1
137.13272	4.7
143.08534	3.3
145.10132	32.5
147.04370	2.2
147.11697	17.8
149.13307	3.9
157.08943	2.1
157.10141	8.2
159.11717	26.3
161.13240	8.9
163.14827	3.3
171.11607	2.4
173.13301	9.6
175.14778	4.5
178.61638	1.9
185.13292	4.8
187.14850	2.8
199.14864	5.7
201.16281	2.8
213.16440	3.4
227.18015	2.3
229.10324	2.7
241.19449	3.1
255.21062	2.9
301.28766	4.6
309.31171	2.1
319.29935	8.6
333.31522	3.9
334.25391	2.2
335.33099	11.7
377.34189	49.2
378.34744	3.6
395.36679	69.7
396.36993	2.7
396.41980	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	395.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
55.01855	2.0
55.05516	18.6
57.07081	21.4
67.05507	31.9
69.03429	17.2
69.07072	30.9
71.01365	4.4
71.04994	3.9
71.08630	16.7
71.17164	2.9
79.05491	14.2
79.81247	1.8
81.07061	59.4
83.04992	4.1
83.08621	21.1
85.02909	100.0
85.06534	2.4
85.10194	9.9
91.05490	20.5
93.07045	19.4
95.04986	7.8
95.08614	41.0
97.06538	13.5
97.10176	18.5
99.08023	1.8
100.60015	1.9
102.96878	1.7
103.03928	2.9
105.07025	22.6
105.26611	1.6
107.08591	13.1
109.06535	2.4
109.10156	17.2
111.04457	13.9
111.11720	7.4
113.05980	4.9
117.07015	11.6
119.08556	12.8
121.10146	11.1
123.11723	6.8
127.07570	10.9
128.75078	1.7
131.08568	11.6
133.10162	21.3
135.11716	7.6
137.13232	2.3
143.08571	5.4
145.10130	33.7
147.11703	16.6
149.13283	4.1
157.10136	5.2
159.11705	25.0
161.13283	6.8
171.11731	4.2
173.13266	10.7
175.14832	2.9
179.18021	2.2
185.13332	4.3
186.70267	1.7
187.14801	3.5
199.14853	4.7
213.16368	2.2
241.19458	3.6
255.21216	3.2
301.28836	5.1
319.29956	6.6
327.02844	2.0
333.31595	4.9
335.33075	11.7
359.98526	2.5
377.29663	2.7
377.34167	39.0
395.36722	54.4
396.36801	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	395.3157
Annotation	Diacarnoxide B
Peak:m/z	Relative Intensity
50.49136	1.9
51.69470	2.3
55.01868	4.6
55.05511	17.4
57.07081	18.5
62.10088	1.9
63.39936	2.1
66.82294	2.2
67.01861	3.1
67.05499	13.2
68.99794	12.4
69.00111	2.8
69.07066	24.1
69.28401	16.0
69.28809	4.7
71.08639	5.6
71.68496	2.0
79.05505	10.9
81.07059	15.6
83.04980	4.4
83.08621	14.2
85.10182	4.3
86.01221	2.4
91.05476	5.3
93.07047	15.1
95.08620	12.2
97.06511	8.6
97.10177	6.3
105.07027	5.3
107.08578	9.3
109.10148	10.2
110.10502	2.4
111.00806	36.9
111.04449	6.6
115.77203	2.2
119.08622	3.0
121.10127	9.2
125.05943	4.0
126.03156	5.3
127.03933	12.7
131.08556	5.4
133.10153	4.7
135.08026	2.5
135.11703	6.9
139.03900	23.3
145.10100	4.4
149.13260	2.8
159.11667	3.6
173.13193	2.6
195.10150	3.7
209.11710	6.6
223.13303	8.0
237.14828	10.1
251.16447	9.9
262.95642	2.3
265.17981	10.9
279.19693	7.0
293.21072	8.8
302.96445	2.2
307.22647	6.0
321.24109	4.4
377.30505	100.0
378.30798	3.5
395.29465	2.7
395.36548	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	395.352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13262	0.6
50.67284	0.6
55.05516	9.6
57.07075	2.3
67.05506	6.3
69.07074	11.3
69.22297	5.9
71.04993	1.3
71.08630	1.6
73.55158	0.5
79.05492	2.7
81.07053	8.5
83.04959	1.0
83.08620	6.7
85.02909	77.7
85.06548	0.7
85.10196	0.9
91.05492	1.4
93.07035	3.1
95.04993	1.5
95.08620	7.5
97.06535	2.1
97.10164	4.4
105.07051	1.1
107.08603	1.9
109.10205	2.8
111.03625	0.6
111.11719	2.2
113.06023	4.8
119.08591	1.8
121.10164	1.9
123.08067	0.9
123.11718	2.5
127.07485	0.8
133.10162	1.6
135.11665	1.4
137.09610	0.7
144.52977	0.8
145.10097	0.9
147.11693	1.2
149.13254	0.8
151.14838	1.0
157.95021	0.6
159.11594	0.7
163.80959	0.6
195.12331	0.7
255.20929	0.6
308.14273	0.7
319.29990	1.4
335.32922	0.6
377.34155	100.0
378.34314	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	395.3159
Annotation	Petromyzonol
Peak:m/z	Relative Intensity
52.93370	0.8
53.03872	1.8
53.39159	0.7
55.01777	3.7
55.05411	18.2
55.05712	5.8
57.03358	1.1
57.06974	18.7
57.07289	5.5
65.03857	1.3
67.01751	9.8
67.02143	1.6
67.05393	11.1
67.05785	2.3
68.99680	42.2
69.00099	8.1
69.03322	2.0
69.03667	0.8
69.06954	26.2
69.07377	5.3
70.81425	1.8
70.81781	0.8
71.01261	1.2
71.04912	1.4
71.08515	10.0
71.08946	1.6
76.75266	0.8
79.05371	9.7
79.05859	1.1
81.03336	1.5
81.06935	14.1
81.07459	2.0
83.04859	4.9
83.08491	16.4
85.02821	1.2
85.10052	6.0
85.10609	1.1
87.00703	3.9
89.05930	0.7
90.55592	0.7
91.05358	3.0
93.03305	0.8
93.06914	13.5
95.04881	1.0
95.08479	12.5
97.02759	5.5
97.06404	7.6
97.10046	11.9
97.10703	1.1
99.04324	2.4
105.06876	3.1
107.04790	2.7
107.08459	10.0
109.02753	0.7
109.06409	1.5
109.10019	6.0
111.00670	71.6
111.01515	5.3
111.04302	12.2
111.05131	0.9
111.07939	3.4
111.11559	2.9
112.01042	1.0
117.06944	1.2
119.08450	2.4
121.06419	1.8
121.10141	10.4
123.04350	1.2
123.07964	1.7
123.11563	2.5
125.05855	3.3
125.09502	3.5
125.13161	1.4
126.03030	2.7
127.03924	38.8
131.08466	1.8
133.10005	2.4
135.08061	3.8
135.11702	7.1
137.09532	1.3
137.88315	0.8
139.03906	33.9
139.07397	2.4
139.11026	1.4
143.08551	0.8
145.10040	1.9
147.11565	1.8
149.05849	1.4
149.09482	2.2
149.13219	4.2
151.07439	1.0
153.05336	2.6
153.08939	2.2
153.12730	0.8
157.08524	1.0
159.11563	1.7
161.13161	1.5
163.07483	0.9
163.11084	2.1
163.14700	2.4
167.06895	3.1
167.10515	1.8
171.09993	2.2
173.13211	1.2
177.12621	1.4
177.16333	1.3
181.08611	3.6
181.12088	2.3
185.11603	1.3
191.14171	2.5
195.10225	8.9
195.11945	1.5
195.13713	1.6
199.13168	1.2
209.11745	11.8
209.15189	1.4
223.11253	0.8
223.13293	14.7
223.16611	1.4
237.14870	18.1
237.18433	1.4
251.16441	19.6
251.20187	1.0
265.17975	17.1
275.27347	1.0
279.19565	18.2
279.22769	1.4
289.28854	1.7
293.21140	14.0
293.28311	2.1
299.27426	1.5
307.22711	11.6
317.28333	1.8
321.24249	9.6
335.25711	3.8
335.29443	6.7
359.29416	0.9
377.30518	100.0
378.30905	3.6
395.31601	28.4
395.36157	1.7
396.31860	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3156
Annotation	Bisdihydrotrifarin
Peak:m/z	Relative Intensity
50.10349	2.6
50.86081	2.3
53.03933	7.4
55.05275	3.9
55.05515	45.6
55.51531	2.4
57.07077	54.0
61.02913	9.9
65.03936	3.4
67.05508	32.2
69.07069	61.3
70.75595	4.8
70.75933	4.0
71.04973	6.1
71.08632	36.3
77.96885	2.6
79.05492	100.0
81.06592	4.1
81.07055	59.6
83.04989	28.4
83.08618	33.9
85.10168	12.4
91.05479	33.4
91.30482	2.4
93.07043	95.5
95.04964	8.5
95.08604	48.8
97.06528	18.0
97.10168	25.1
105.07033	28.8
107.04953	20.8
107.08586	59.8
109.06509	5.9
109.10153	17.7
111.04440	6.1
111.08063	3.6
111.11720	9.0
117.07007	8.6
119.08604	17.2
121.06477	11.6
121.10136	41.9
123.11703	8.3
125.05997	23.3
127.03910	2.7
131.08563	24.2
133.10133	15.9
135.08035	10.9
135.11707	34.2
137.09612	3.5
137.13228	6.3
139.07545	26.2
141.05446	3.2
145.10126	13.0
147.11684	9.7
149.09650	5.6
149.13293	12.2
151.07599	5.4
153.05444	12.9
153.09120	7.2
159.11679	8.5
161.13248	7.7
163.14815	3.2
165.09105	4.3
170.89449	2.6
171.76663	2.6
173.13306	5.1
175.14761	3.9
177.16318	3.1
179.10658	2.8
187.14838	3.2
189.16446	2.8
191.10629	4.8
191.17816	3.2
201.16417	3.9
203.18120	3.1
215.17880	2.7
219.21062	4.3
287.27335	5.7
289.28882	46.0
297.48087	3.0
299.27344	6.1
313.25269	3.2
313.28992	7.1
331.29962	8.8
349.30954	17.7
359.29361	15.1
377.30612	14.0
395.36948	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	395.3157
Annotation	Diacarnoxide B
Peak:m/z	Relative Intensity
55.01875	3.5
55.05519	15.7
57.07078	15.6
65.03969	1.7
67.01864	2.7
67.05514	6.4
68.99796	12.8
69.03425	1.9
69.07073	22.1
70.71351	3.5
70.71699	2.7
71.08649	9.7
79.05494	6.2
81.03425	1.7
81.07067	11.0
83.04980	4.6
83.08624	13.5
85.10194	4.6
91.05486	3.2
93.07051	11.4
95.04989	2.1
95.08613	11.1
97.02909	4.0
97.06523	8.0
97.10174	7.9
105.07048	2.8
107.05010	1.7
107.08582	7.8
109.10210	4.0
111.00809	28.1
111.04454	8.2
111.08088	3.4
111.11797	2.3
119.08523	2.1
121.10197	7.6
123.04474	1.7
123.11678	2.3
125.05991	4.9
125.09689	2.1
126.03157	1.9
127.03911	12.3
128.36038	1.5
131.08604	2.1
135.08096	3.1
135.11694	5.6
138.15063	1.6
139.03928	24.2
139.07494	2.6
139.11148	1.7
149.13275	4.4
153.05511	2.8
153.09106	1.8
159.11702	2.2
161.09743	1.6
163.11179	2.5
163.14821	1.7
167.07019	3.8
167.10579	1.9
169.57455	1.8
181.08652	5.5
181.12245	2.4
183.58484	1.5
195.10182	6.6
195.13939	2.0
205.12294	1.5
209.11703	8.6
209.15308	2.1
223.13324	11.8
237.14890	14.7
251.16457	15.4
265.17978	15.8
279.19547	14.0
293.21115	15.3
307.10950	1.7
307.22610	9.3
317.28308	1.9
321.24216	9.8
335.25644	2.9
377.30536	100.0
378.31018	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	395.316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35685	1.5
53.03930	1.8
55.01864	6.5
55.05519	25.6
57.07084	24.4
65.03922	2.3
67.01876	3.8
67.05509	15.2
68.99792	18.7
69.03429	3.0
69.07073	36.5
70.76160	1.5
70.76495	4.4
71.04989	2.7
71.08640	15.3
79.05502	11.9
81.07061	19.8
83.05004	7.8
83.08624	23.5
85.02899	2.2
85.10200	7.3
87.00861	2.3
88.95982	1.5
90.16624	1.6
91.05485	4.4
93.07050	18.3
95.04987	3.2
95.08617	18.5
97.02909	3.2
97.06553	8.7
97.10181	14.5
105.07045	5.0
107.04938	2.2
107.08600	18.1
109.06559	2.3
109.10172	11.0
111.00814	47.7
111.04443	12.1
111.08083	7.0
111.11718	4.4
113.02397	2.8
117.07052	1.7
121.06510	2.0
121.10165	13.1
123.08067	1.7
123.11709	4.8
125.06032	7.8
125.09637	5.7
126.03128	3.7
127.03931	18.5
131.08606	3.8
135.08105	3.6
135.11696	9.3
139.03914	35.7
139.07513	2.4
139.11176	4.5
145.10161	1.8
147.11664	2.0
149.09592	2.6
149.13252	5.9
151.07645	1.7
153.05405	1.9
153.09135	4.6
157.08662	1.7
159.11757	2.6
161.09610	3.7
163.07599	3.7
163.11195	3.0
167.07030	4.8
167.10698	4.1
171.10208	2.9
177.12802	2.6
177.16385	2.5
181.08606	6.8
181.12271	2.7
185.11772	1.6
191.14328	2.9
191.17860	2.5
195.10107	8.3
195.13771	3.8
199.13335	2.7
199.69391	1.7
205.16019	2.1
209.11752	13.7
213.14818	2.0
223.13307	17.6
237.14859	19.1
251.16426	23.7
265.18018	17.5
275.27112	1.7
279.19620	20.4
280.19717	1.9
284.19415	1.7
293.21127	17.0
293.28412	2.7
307.22708	15.1
321.24387	9.0
335.25787	4.1
335.29462	3.5
377.30539	100.0
378.30814	5.0
395.31592	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68595	2.7
53.03952	4.2
53.05540	2.6
55.05516	69.8
59.04998	7.3
67.05495	7.1
69.03416	4.9
71.04974	5.3
71.39346	5.1
79.05477	8.8
81.07045	8.7
81.66872	2.5
83.04497	5.0
83.04991	100.0
84.53394	3.1
85.06541	6.5
91.05492	19.0
93.07051	6.6
95.04955	8.3
95.08585	3.3
97.02901	2.7
97.06547	5.1
97.68119	2.3
99.04460	15.6
105.07028	17.8
107.08589	7.6
108.78223	3.0
109.06500	7.3
113.05989	3.2
114.56631	2.5
115.05436	3.5
117.06998	7.5
119.08595	14.8
121.06515	7.1
123.08119	4.2
129.06998	9.8
131.08533	13.7
133.06470	5.2
133.10152	5.5
135.08052	9.7
135.30974	2.4
137.05972	5.0
141.07082	3.0
142.07759	8.3
143.08582	17.4
145.06494	6.2
145.10115	11.5
147.08054	10.0
147.11713	4.0
149.06018	4.0
149.09607	7.9
155.08553	5.5
156.09349	8.5
157.06500	2.9
157.10161	14.5
159.08037	6.0
161.09622	8.7
163.07556	5.2
165.09190	3.0
166.07809	5.7
171.08003	4.2
171.11722	12.2
173.05934	3.2
173.09612	4.2
175.07544	6.4
175.11154	13.1
177.09219	2.6
179.06969	3.4
179.10725	3.1
181.10101	6.8
185.09584	6.9
189.09048	6.7
189.12791	4.6
191.10693	2.5
199.11234	24.3
201.09169	4.7
201.12756	4.8
203.10667	11.3
211.17215	2.9
217.12251	21.3
221.11664	3.3
227.10680	18.4
233.05602	3.1
245.11739	28.1
259.13226	5.4
263.12866	14.3
277.14340	7.9
295.15436	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2795
Annotation	Tylactone
Peak:m/z	Relative Intensity
53.03949	1.2
55.01873	1.8
55.05270	1.3
55.05517	13.3
55.71428	1.0
57.07090	8.5
57.12366	1.2
60.04528	3.4
67.01859	1.8
67.05508	9.0
68.99790	6.8
69.03432	1.2
69.07073	14.4
70.68617	2.8
71.08625	3.9
79.05495	5.9
81.07060	13.3
83.04993	3.0
83.08623	9.2
85.10196	1.8
91.05495	3.2
93.07047	7.1
95.08601	10.8
97.06536	6.0
97.10196	5.2
105.07049	2.8
107.08592	4.7
108.72021	1.3
109.06544	1.3
109.10161	7.4
111.00807	16.1
111.04425	2.9
111.08080	1.7
111.11717	2.0
119.08607	2.5
121.06422	1.7
121.10141	5.9
123.11702	2.5
125.05987	1.4
125.09633	1.6
127.03919	6.1
131.08531	2.7
133.10144	1.6
135.08049	1.4
135.11694	5.1
139.03896	14.4
145.10086	1.7
147.11711	1.3
149.09540	1.7
149.13275	1.6
163.14812	1.1
167.07196	1.1
167.10635	1.5
181.08615	2.1
181.12213	1.7
195.10153	2.5
209.11760	3.0
209.15300	1.4
223.13402	5.1
223.16830	1.1
237.14793	4.3
251.16434	4.6
265.18033	3.7
269.68497	1.0
280.26416	1.2
293.21252	1.7
307.22852	1.2
307.26361	2.8
335.25845	5.9
349.27390	15.5
377.26898	100.0
378.27338	3.2
396.35120	1.8
404.17584	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	12.7
57.03435	3.2
57.06835	3.7
57.07074	49.7
58.26620	2.9
59.05000	7.1
65.76419	3.2
67.05505	16.5
69.03420	8.9
69.07063	8.6
71.04990	7.9
71.51309	5.6
73.40036	2.9
79.05491	18.6
79.99680	2.9
81.07056	10.2
83.04966	8.9
85.02873	5.6
85.06528	14.7
85.62523	2.9
91.05480	22.1
93.07065	16.7
94.49458	3.5
95.04981	19.6
95.08616	9.9
97.02879	16.8
97.06529	14.5
99.04482	3.7
99.17226	3.2
103.05455	5.0
105.07042	18.1
106.55062	3.2
107.04955	7.1
107.08581	9.3
109.06493	9.3
109.10120	7.4
111.04446	5.8
111.08065	7.3
115.05454	4.5
117.07035	11.1
119.04933	5.0
119.08585	15.7
121.06506	15.2
123.08035	8.3
125.05999	10.4
125.09676	2.9
128.06215	13.3
129.06998	13.8
131.08539	10.6
133.06467	5.0
133.10153	4.2
135.08023	9.6
137.05940	4.8
137.09637	4.9
139.07545	31.8
141.06984	13.4
142.07806	4.7
143.08565	20.0
145.06506	13.3
145.10120	13.5
147.08051	8.4
147.27879	3.3
149.05931	5.6
149.09595	3.6
151.07535	6.2
153.05467	23.2
153.06944	6.6
154.07730	11.3
155.08542	16.7
157.10107	7.6
158.36270	2.9
159.08061	11.1
159.11617	6.2
161.06084	3.7
163.03993	3.8
163.07529	10.0
165.09090	4.5
167.08527	3.8
169.10173	20.9
171.08073	9.5
171.11702	4.9
173.09656	16.5
175.07486	4.4
175.11115	3.4
176.15201	3.6
177.09087	4.1
179.08655	7.1
181.08589	4.7
181.10141	3.8
183.07979	7.3
184.08798	3.2
187.07532	6.5
187.11227	12.1
187.71080	3.5
189.09103	5.3
189.12602	4.0
191.10640	3.9
197.09628	25.3
199.11221	7.9
201.09058	9.7
203.10768	4.5
207.13800	14.5
211.11082	3.5
215.10692	23.5
217.08388	3.2
225.09067	12.9
225.14824	25.0
229.12244	8.0
233.11684	4.2
243.10248	29.1
247.13339	7.9
257.11530	5.8
260.42599	3.7
261.11249	21.7
263.12595	25.2
275.12778	7.4
279.12701	4.2
285.14816	4.3
293.13904	16.0
311.14639	3.7
322.14371	3.2
333.17096	3.7
333.20596	19.2
349.16208	12.5
364.21848	3.8
368.58591	3.7
377.15604	9.3
395.11719	7.4
395.16724	100.0
395.21683	7.4
396.17834	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	395.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.5
55.01862	5.2
55.05511	10.4
56.16903	3.1
57.03436	8.6
57.07070	3.2
61.02907	6.0
67.05483	11.5
68.99797	3.2
69.03435	26.2
69.07046	13.7
71.04968	10.8
71.49635	5.9
72.08167	4.2
76.57475	3.6
79.05494	8.6
81.03415	11.4
81.07042	6.8
83.04974	7.9
83.08582	4.6
85.02514	3.7
85.02922	35.6
91.05478	10.8
93.07024	8.2
95.04954	7.2
95.08594	9.8
97.02890	16.2
97.10161	6.4
99.04456	6.7
103.03901	5.2
105.07014	6.3
107.08586	9.4
108.26524	3.2
109.02892	10.3
109.06502	5.1
109.10153	12.2
111.04459	3.8
117.07023	5.4
119.08562	6.9
120.08127	5.7
121.06495	19.7
123.08064	4.0
127.03905	15.2
127.11205	52.8
128.06200	3.6
129.05508	5.5
129.07065	4.3
131.08542	8.2
133.06496	4.7
133.10141	4.0
135.08119	7.8
137.05977	42.8
145.06485	4.8
145.10091	6.4
147.08057	8.1
149.05922	4.4
149.09634	15.8
151.07555	77.5
157.10123	4.7
158.07306	6.4
159.08060	8.4
161.05966	9.3
161.09607	7.3
162.06589	4.3
163.07509	18.5
165.09076	5.8
172.08755	4.3
173.09572	13.1
174.06810	7.3
175.07599	22.7
177.09117	100.0
177.10678	5.0
179.07088	5.0
187.07623	7.5
189.09196	17.3
191.10674	32.0
193.08682	5.8
199.07494	5.5
200.08482	4.1
201.09149	36.2
213.08987	5.8
215.10669	8.3
215.14380	4.6
217.08543	4.0
217.12279	7.5
219.10060	6.1
221.15353	4.6
229.12233	4.8
231.10278	3.9
231.13818	5.5
233.15320	36.1
243.10109	6.9
243.13838	6.4
245.15346	16.1
257.15515	4.4
269.15411	5.2
275.13687	3.6
275.16519	5.4
285.11151	3.5
299.16418	9.5
303.12427	4.4
341.17548	6.3
359.18454	6.3
395.16135	4.1
395.20715	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	395.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
53.05686	1.6
53.88881	2.0
55.05510	3.1
57.03416	3.6
57.62182	2.0
67.05497	2.9
68.68416	1.8
69.03430	12.5
70.79920	3.4
71.04986	1.8
71.08614	2.3
73.02903	2.6
79.05486	2.7
80.31923	1.9
81.03411	4.3
81.07050	3.6
83.04981	4.4
85.02899	15.2
91.05484	4.4
93.07022	3.5
95.04955	3.4
97.02888	8.3
97.06528	2.7
105.07072	3.8
107.08586	3.3
109.02834	2.2
109.06489	3.9
109.10189	2.6
117.07059	2.3
121.06509	14.3
123.04465	1.8
127.03938	2.8
128.06256	2.4
131.08612	3.2
135.08044	2.4
137.05974	12.4
141.94231	1.8
143.08545	3.6
145.05003	2.1
145.10130	5.5
149.09666	11.6
151.07558	10.3
159.06456	1.7
159.07880	2.1
161.05966	3.7
161.09607	3.8
162.06758	3.2
163.07533	8.4
163.11189	2.4
173.09599	6.3
175.07567	9.5
175.11198	2.8
177.09126	100.0
185.09560	2.6
189.09114	10.7
191.10669	65.7
201.09016	4.2
202.83073	1.7
213.09027	3.1
213.12750	2.8
215.10744	3.4
217.12167	11.6
227.65945	2.3
229.12267	10.2
231.13828	5.5
233.13257	3.0
233.15407	35.7
243.13826	6.6
245.15364	7.4
255.13741	2.7
257.15271	3.2
341.17392	2.2
359.18851	4.2
377.19543	4.3
413.67044	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	395.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52644	1.1
51.10493	1.4
53.03951	2.7
55.01865	2.1
55.05518	71.4
58.64516	1.2
65.03950	1.1
67.05490	1.9
69.03433	2.5
70.81987	3.0
71.05009	2.0
79.05502	4.2
81.03407	1.3
83.04991	100.0
84.05319	1.5
85.02913	1.9
91.05488	7.9
91.42643	1.1
93.07062	4.4
95.04949	2.4
95.08612	2.2
103.05508	2.4
105.07053	8.8
107.05003	2.6
107.08593	3.7
109.02871	1.2
109.06555	2.2
115.05475	4.5
117.07075	6.2
119.04918	1.3
119.08604	4.3
121.06538	3.6
128.06253	7.5
129.07045	8.5
130.07838	1.4
131.04852	2.1
131.08589	7.1
133.06502	1.4
133.10158	7.1
135.08125	2.4
137.05969	2.4
141.06987	3.3
142.07803	6.3
143.08574	8.7
145.06516	4.9
145.10135	8.1
147.08076	4.2
147.11716	1.9
152.06255	3.1
153.06989	4.2
154.07785	1.6
155.08595	7.5
156.09210	1.3
157.06487	2.7
157.10152	6.5
159.04486	1.4
159.08076	8.3
159.11658	2.7
161.05994	4.7
161.09657	3.6
163.07573	2.6
165.06911	1.9
165.99397	3.2
167.08594	6.7
168.05716	1.5
169.06511	1.4
169.10146	3.3
170.07266	1.5
171.08063	16.1
173.06030	4.4
173.09622	6.7
175.07562	10.9
177.09128	1.9
179.08609	1.3
183.08075	5.5
184.00496	2.6
185.09651	14.6
187.07562	4.3
187.11215	2.9
189.09138	3.7
191.07059	2.8
193.01779	2.4
195.08066	4.3
196.00458	4.0
197.09636	2.8
198.01926	1.6
199.07530	6.4
201.09171	14.3
203.10732	3.0
211.02831	1.3
211.07581	1.7
213.09137	20.3
214.01523	5.8
215.07182	1.4
215.10825	3.0
217.08636	4.8
218.02663	1.6
219.10208	1.6
223.07423	1.3
229.08679	6.5
231.10217	9.2
236.03584	4.6
237.04160	2.1
239.02455	1.7
241.08636	15.6
245.15431	2.1
247.09731	16.3
251.01451	1.2
254.04672	20.4
255.05499	10.1
259.09650	12.0
269.07114	5.4
272.05692	4.7
273.06409	2.2
277.10828	3.4
287.08060	2.1
349.02719	10.8
367.03668	6.2
370.04858	1.4
397.28616	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44188	5.2
51.47079	6.4
53.03941	12.5
55.01870	12.6
55.05519	83.5
58.40678	6.3
58.88220	5.1
62.00870	6.5
63.02716	8.8
65.65260	5.8
67.05494	21.4
67.41074	5.8
67.80181	5.8
69.03412	19.0
70.63543	7.9
70.63887	12.2
79.05504	34.6
81.03415	9.5
81.07058	17.1
83.04993	100.0
83.16758	6.1
85.02906	17.9
87.00850	5.6
91.05493	60.4
93.03428	7.4
93.07043	19.5
95.04986	31.4
95.08546	8.2
97.02893	23.9
103.05453	8.1
105.07031	54.8
107.04972	12.2
107.08604	23.5
109.02884	10.1
109.06472	9.4
111.04397	8.8
111.08109	6.5
115.05478	27.3
117.07027	83.6
119.04948	13.9
119.08567	27.6
121.06525	26.4
123.04408	10.6
125.02404	8.9
127.03971	7.9
128.06229	42.7
129.06334	5.5
129.07034	62.9
131.08578	44.3
133.06468	15.6
135.08070	13.8
137.05989	15.6
139.07549	9.2
141.06985	40.7
142.07803	78.1
143.08565	54.2
144.05688	6.6
145.06500	24.5
145.10126	18.4
147.04391	8.8
147.08066	16.4
149.05980	7.2
152.06230	38.7
153.05496	15.6
153.06990	17.9
154.07800	31.2
155.08569	58.9
157.06493	13.9
157.10159	66.7
159.08047	23.7
159.11711	14.0
161.06001	13.7
163.03854	8.2
163.07571	20.0
165.05621	9.2
165.07027	16.0
166.07837	6.6
167.08583	77.3
169.06569	12.1
169.10194	36.8
170.07286	13.9
171.08063	24.5
173.05963	9.1
173.09564	13.5
175.07556	14.0
179.71964	5.5
183.08054	25.9
185.09633	82.0
187.07507	21.2
187.11200	14.2
189.05382	6.8
189.09126	8.5
195.08044	36.8
197.09637	19.0
199.07547	16.0
201.09119	26.1
203.10698	22.0
205.08623	9.2
211.07576	10.2
213.09146	85.9
215.07089	12.6
215.10692	6.5
217.08604	11.2
219.10246	9.8
225.14838	6.3
229.08575	25.1
231.10207	46.1
241.08531	33.5
259.09644	32.9
277.10751	9.6
290.33279	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.1
55.01886	1.7
55.05514	74.9
59.34806	1.2
64.01142	1.1
67.05505	1.3
70.10301	4.8
79.05515	3.0
83.04986	100.0
90.51580	1.0
91.05466	8.1
93.07053	3.0
95.04963	3.4
97.02901	1.5
97.06531	3.0
103.05486	2.0
105.07021	4.7
107.04970	2.5
109.06502	1.4
111.04450	6.1
112.02980	1.0
113.12055	1.0
115.05453	2.8
117.03396	1.2
117.07034	6.5
119.04992	2.3
119.08575	3.6
121.06519	4.4
128.06245	7.2
129.07053	9.3
131.04979	2.0
131.08582	5.9
133.06500	4.3
135.04469	1.9
135.08086	3.8
137.05989	1.8
141.07011	4.0
142.07777	7.7
143.08571	8.7
145.06540	5.1
145.10097	2.5
147.08075	2.8
149.06006	2.6
152.06223	3.2
153.07007	1.1
154.07762	2.7
155.08551	4.5
157.06532	2.1
157.10144	4.7
159.08066	3.9
161.06052	3.0
161.09651	2.9
163.03874	1.8
163.07574	3.5
165.06970	1.5
167.08557	6.3
169.06487	2.3
169.10155	2.7
170.07310	2.2
171.08047	11.6
173.09669	2.8
173.99310	0.9
175.07590	2.6
183.08066	2.7
185.09604	12.0
187.07510	3.3
189.05428	1.6
189.09123	4.0
195.08060	4.7
199.07503	5.5
201.09116	1.8
203.10725	2.2
205.08597	2.0
211.07574	1.6
213.09109	17.2
215.10695	1.3
217.08629	6.9
219.10164	1.9
229.08676	3.5
231.10181	11.7
241.08623	13.2
247.09669	4.9
259.09644	15.4
277.10669	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	395.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18644	3.7
53.03949	7.5
55.01880	7.4
55.05508	10.6
59.04999	15.7
65.03943	4.8
67.05518	6.4
69.03431	26.7
69.34508	7.0
69.34843	33.3
79.05509	23.5
81.03432	5.2
81.07037	6.6
83.04979	9.5
85.02933	8.6
85.06543	11.0
91.05492	57.0
93.07049	15.3
95.04993	19.1
97.02914	6.6
97.06535	5.0
99.04458	9.4
99.08105	6.1
103.05471	13.2
105.07050	26.0
107.04958	10.4
107.08601	5.9
108.45227	3.7
109.06578	6.9
111.04468	11.2
111.08086	6.8
113.06020	3.8
115.05450	31.8
117.03372	8.0
117.07030	33.0
119.04975	12.4
119.08572	21.9
121.06522	25.3
123.04392	5.8
127.03931	3.8
128.06247	39.8
129.07037	36.5
130.07716	4.7
130.35585	3.4
131.04924	8.3
131.08595	17.0
133.06465	9.5
135.04422	9.1
135.08060	32.0
137.05963	4.2
141.07030	30.7
141.52269	3.9
142.07794	47.6
143.08582	35.8
145.06476	21.7
145.10115	9.4
147.04405	8.6
147.08119	9.9
149.06003	16.8
152.06236	23.4
153.07016	13.2
154.07794	16.8
155.06084	5.1
155.08578	16.6
157.06525	13.6
157.10153	31.4
158.07150	5.5
159.08063	18.6
161.05954	21.7
161.09587	6.7
163.03932	9.0
163.07600	23.8
165.05646	4.3
165.07079	11.9
167.08571	50.9
169.06516	10.2
169.10155	23.6
170.07268	8.2
171.08072	45.1
173.05988	6.6
173.09723	7.4
175.03995	6.3
175.07559	8.6
177.05504	11.3
181.08568	9.4
183.08072	12.5
184.08887	4.6
185.06018	5.1
185.09637	75.3
187.07590	14.3
187.11107	4.3
189.05580	5.2
189.09059	5.6
195.08089	34.4
197.05977	5.1
197.09680	16.5
199.07573	27.1
199.11230	9.8
201.09053	7.9
203.10712	12.8
213.09131	100.0
215.10716	6.9
217.08601	19.2
219.10136	3.9
223.07607	8.3
227.10634	4.6
229.08810	4.0
231.10170	30.3
241.08606	54.9
245.11766	18.5
259.09732	42.3
273.11237	16.9
291.12210	6.5
296.04034	4.6
320.25421	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	395.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50133	1.2
53.03944	2.5
55.01876	2.5
55.05516	72.4
58.93190	1.4
65.03963	1.6
67.05503	2.5
69.11848	1.1
70.07155	5.1
79.05489	4.0
81.03377	1.3
81.07056	2.0
83.04987	100.0
91.05484	7.3
93.07082	1.8
95.04989	2.0
95.08632	1.8
97.02893	3.5
97.06579	1.5
99.04462	1.5
101.06029	1.9
103.05448	1.9
105.07033	7.4
107.04977	3.3
107.08617	1.4
107.31619	1.3
115.05461	4.2
116.06248	1.3
117.07025	6.8
117.58530	1.2
119.04931	1.7
119.08572	3.9
121.06478	1.5
123.04333	1.1
125.06022	1.6
128.06203	7.1
129.07028	8.7
130.07787	1.8
131.04984	1.4
131.08580	8.8
133.06508	3.6
135.08041	2.2
141.07008	4.4
141.42528	1.3
142.07768	5.6
143.08560	12.5
145.06509	4.1
145.10110	5.1
147.08080	3.0
152.06223	2.4
153.05545	2.4
153.06987	3.2
154.07771	1.5
155.08591	4.7
157.06493	3.3
157.10164	6.1
159.04475	1.3
159.08031	5.6
161.06029	4.2
161.08099	1.1
161.09599	3.1
165.06952	1.7
165.09227	2.9
167.08560	8.3
169.06470	1.9
169.10149	1.8
170.07274	3.9
171.08064	13.3
173.05997	2.0
173.09628	4.2
175.07542	14.1
177.09105	1.7
181.25545	1.1
183.08141	2.6
185.09650	11.5
187.07494	3.1
187.11124	1.2
189.09128	3.4
195.08064	3.4
199.07544	6.8
201.09120	6.9
203.10695	2.8
213.09140	17.5
214.01416	2.5
217.08592	6.7
219.10240	1.5
229.08649	4.4
231.10205	8.9
233.07884	1.3
239.02180	1.6
241.08588	16.4
247.09669	9.2
254.04756	4.5
255.05502	2.9
259.09613	11.7
272.05634	2.1
277.10709	5.8
349.02618	2.3
367.03677	1.4
395.17035	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	395.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	7.9
58.99860	4.0
60.58492	3.2
69.03438	6.3
69.66219	5.9
69.66640	12.6
70.99860	5.3
82.99879	6.3
84.00610	2.7
85.01371	3.1
85.02927	11.1
97.02897	5.1
98.20924	6.2
98.97597	20.3
101.00898	47.7
109.02877	3.7
110.97539	4.2
112.07615	5.5
113.00900	12.0
115.02441	4.5
116.98667	5.4
117.04039	7.1
119.01939	70.9
127.02440	17.5
131.01920	32.0
133.03508	6.5
137.02914	7.1
137.05991	5.1
141.03993	6.4
143.01886	23.5
145.01660	7.6
145.03485	71.4
147.05035	3.4
153.03996	3.6
155.01880	10.9
157.03458	13.8
158.06616	9.9
158.99709	4.2
159.05042	29.5
161.01195	3.5
161.01790	2.8
161.02985	24.9
163.02715	4.9
163.04498	10.1
169.03488	64.7
171.01460	8.7
171.05023	18.4
172.97499	3.3
173.02997	13.8
173.04872	6.7
173.06422	3.6
175.04572	5.0
176.07695	5.7
177.00829	5.4
180.04695	2.9
181.03525	10.1
185.02988	13.9
187.04549	92.4
187.06259	6.7
188.07776	6.6
189.02492	20.3
191.05876	4.6
197.02962	6.0
199.04576	17.8
203.04057	13.5
207.03604	6.9
209.52249	2.9
212.07748	16.2
213.02510	23.2
215.00381	3.6
215.05402	3.5
219.01823	6.5
221.05063	24.2
223.02702	3.8
225.02501	4.5
229.05583	7.3
230.08757	3.7
231.03531	31.7
233.06282	14.7
237.02788	8.8
239.06139	16.2
243.03583	3.4
257.01471	6.9
263.06210	6.0
266.03619	4.1
274.16675	3.0
275.02548	100.0
275.05612	4.1
287.02490	29.9
289.07681	30.6
293.03677	20.0
295.10889	3.0
305.03574	8.9
315.05698	7.8
317.03662	4.2
333.06683	9.0
333.13080	3.9
335.04688	5.2
335.10129	7.2
337.50653	2.8
353.11154	6.1
359.04617	7.4
377.05698	8.9
395.06995	6.2
395.12134	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	395.1319
Annotation	Jasmolactone B
Peak:m/z	Relative Intensity
51.56274	0.9
51.58373	0.9
52.65986	1.1
56.96566	1.6
70.06591	2.6
70.42052	3.1
74.06085	2.6
85.02914	1.2
97.02898	1.4
98.97584	2.7
110.97588	1.1
116.98647	1.6
126.90363	0.9
128.88756	1.0
133.01727	1.1
143.04453	1.0
148.32364	1.0
162.04100	1.7
175.30878	1.1
233.14977	1.3
263.08875	1.7
285.06757	1.0
395.13171	100.0
396.01514	1.3
396.13562	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	393.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.9
55.05515	50.5
57.07078	22.7
67.05507	22.0
69.07069	46.2
70.10046	7.3
71.08616	11.1
71.90899	2.3
76.64094	2.4
79.05501	18.7
79.13601	2.1
80.13605	2.3
81.07060	81.1
83.05024	2.4
83.08622	100.0
83.85126	2.3
85.10185	5.4
91.05467	14.2
93.07052	22.6
95.04981	3.2
95.08615	27.1
97.10159	15.3
105.07022	22.6
107.08605	28.6
109.10162	15.8
117.07024	9.6
119.08568	15.0
121.10181	12.5
123.11708	6.2
129.06995	8.2
131.08557	13.9
133.10126	17.1
135.11674	7.7
137.13283	4.5
142.07809	6.0
143.08556	13.3
145.10136	23.3
147.11694	15.6
149.13300	4.7
155.08592	3.3
157.10127	27.9
159.11746	18.7
161.13303	6.2
163.14890	3.1
169.10126	5.2
171.11668	7.4
173.08211	2.2
173.13266	9.2
175.14890	2.7
179.14349	4.9
183.11705	8.0
185.13231	10.8
187.14854	7.0
188.50264	2.3
197.13306	7.7
199.11368	2.4
199.14772	5.8
201.16412	4.9
211.14883	7.3
213.16336	6.3
215.17973	3.9
225.16367	4.1
227.17969	5.2
239.17978	10.5
245.22885	3.0
253.19588	7.7
281.22638	4.1
282.88394	2.4
295.24176	19.8
309.25824	10.1
322.26697	4.1
322.77112	5.9
349.27795	3.0
350.77798	2.7
372.59067	2.6
393.35153	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.6
55.01866	8.3
55.05519	10.7
56.45234	1.9
57.03422	7.7
61.02913	4.0
67.05495	4.2
68.99789	3.2
69.03092	2.7
69.03434	40.9
69.07072	48.2
71.04981	6.2
73.02910	5.3
81.03424	20.6
81.07066	4.6
83.04994	10.3
85.02909	100.0
87.00834	55.7
91.05472	4.8
93.07047	4.4
95.08632	3.8
97.02896	36.8
98.97548	3.5
99.04469	16.4
99.99576	1.7
105.01878	86.4
105.07010	3.2
107.04947	3.1
107.08575	2.9
108.04523	4.0
109.02889	24.5
111.11720	6.6
117.01836	2.7
120.08118	10.7
121.06479	2.9
127.03928	69.8
132.08099	3.1
145.03885	1.5
145.04970	38.0
147.02843	2.1
159.02907	12.1
159.08150	2.4
159.09206	21.5
166.08647	7.1
170.06021	3.9
187.08743	5.0
189.04007	3.2
201.10286	18.9
209.06296	2.1
209.15486	1.9
213.09079	2.3
219.13867	1.9
229.09834	5.5
231.05000	23.7
249.06088	8.6
387.96609	2.2
394.25348	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	394.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	13.2
67.05489	32.2
69.07071	8.8
71.04955	8.2
71.50649	11.8
72.05954	8.7
78.92287	7.6
79.05476	27.6
81.07066	47.3
83.04989	19.5
91.05486	36.9
93.07058	44.4
95.04942	15.3
95.08597	47.5
97.06537	13.8
105.03399	49.4
105.07035	59.8
107.08601	27.0
109.06502	14.3
109.10151	14.6
117.06953	14.8
119.08581	28.2
121.10136	13.4
123.08060	7.8
124.35938	8.2
128.06253	11.7
129.07024	15.5
131.08531	40.6
133.10121	32.8
135.08112	11.9
135.11708	8.4
142.07744	12.3
143.08553	24.7
145.10092	23.0
146.66214	8.0
147.11644	8.1
149.05981	100.0
155.08546	11.3
157.10120	30.2
159.11742	37.9
169.10130	12.0
171.11661	18.6
183.11697	9.0
197.13231	11.2
233.15286	11.0
235.95688	9.8
238.47780	8.2
241.15788	12.3
259.16995	12.6
299.19879	9.7
394.29410	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	393.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01876	6.3
55.05514	36.5
57.03439	1.2
57.07079	17.7
65.03938	3.0
67.01872	5.5
67.05508	55.6
68.99795	59.0
69.03438	1.9
69.07072	41.2
71.01339	1.2
71.04993	2.7
71.08635	10.5
79.05502	12.1
81.03419	3.8
81.07062	73.2
83.04987	11.6
83.08624	38.5
85.02914	1.1
85.06509	1.3
85.10184	5.1
87.00842	4.9
91.05479	10.7
93.07050	13.2
95.04996	5.7
95.08611	77.2
97.02893	1.6
97.06538	7.2
97.10174	34.0
98.20748	2.7
98.98495	1.1
99.04464	3.8
99.11755	1.2
105.07024	9.1
107.04959	2.6
107.08608	9.1
109.02893	2.1
109.06526	5.8
109.10163	38.0
111.00809	100.0
111.04450	8.4
111.08091	2.2
111.11719	13.7
112.85558	0.9
114.13864	0.9
117.07047	2.0
119.08574	7.0
121.06490	1.7
121.10121	6.5
123.04403	3.2
123.08090	4.0
123.11720	19.2
125.06027	3.3
125.13293	3.1
127.03925	90.4
129.07013	1.4
131.08565	2.9
133.06480	1.7
133.10136	10.0
135.08095	1.9
135.11687	3.9
137.05992	1.9
137.09622	2.8
137.13264	10.1
139.03909	32.2
139.07550	1.2
143.08551	1.2
145.10088	1.4
147.08063	3.3
147.11716	4.6
149.09639	1.9
149.13263	2.9
151.03981	1.0
151.07541	2.7
151.11137	1.7
151.14859	5.2
153.05476	12.8
153.09113	1.1
155.01135	1.3
155.03438	1.5
157.10126	1.8
159.11736	1.4
161.09607	2.2
161.13266	3.4
165.05504	1.9
165.09109	2.4
165.16422	2.9
167.07047	4.4
167.17889	1.1
171.11679	1.4
175.11214	1.4
175.14963	1.6
179.10666	2.3
179.17993	1.8
181.08607	3.3
193.08632	1.6
193.12291	1.5
193.19572	2.0
195.10229	4.4
199.14835	1.4
203.17920	0.9
207.10201	4.0
209.11752	4.2
221.11703	4.0
223.13335	3.7
227.17920	0.9
235.13380	3.8
237.14885	4.0
249.14827	4.4
249.25824	6.3
251.16426	2.4
263.16422	4.5
265.18030	2.6
267.26868	4.3
273.25784	2.8
277.17987	4.2
279.19601	2.9
291.19608	2.8
291.26862	1.9
293.21097	2.3
305.21130	3.0
307.22641	1.3
310.92990	1.0
315.26901	2.1
319.22549	2.5
333.27902	8.2
357.27994	2.1
375.28989	27.5
393.20660	2.2
393.30051	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	393.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01865	2.9
55.05511	15.3
57.03437	1.7
57.07079	8.1
60.73421	1.6
62.76853	1.4
65.03916	2.6
67.05512	17.6
69.03439	2.9
69.07078	16.3
71.04993	5.0
71.08624	3.8
79.05499	10.8
81.07062	27.5
83.04963	5.3
83.08622	7.5
85.10201	1.9
89.06033	2.3
91.05486	19.0
93.07051	23.5
95.04982	22.9
95.08053	2.8
95.08611	28.3
97.06536	3.2
97.10181	3.7
105.07042	41.6
107.04922	1.8
107.08602	15.0
109.06499	5.7
109.10145	10.3
111.00822	2.0
111.04423	4.6
113.06039	1.4
117.07008	5.4
119.08591	27.3
121.06510	10.0
121.10146	9.5
123.08085	5.5
123.11702	6.8
127.03939	12.7
128.06247	2.8
129.07005	3.1
131.08556	11.2
133.06514	2.2
133.10138	9.1
135.08066	20.4
135.11694	5.2
136.96530	1.7
137.09645	1.9
137.13188	1.5
139.03915	100.0
141.07059	2.1
141.16200	1.7
142.07790	6.5
143.08542	7.4
145.10153	17.3
147.08029	2.1
147.11708	17.4
148.08865	2.1
149.09599	9.4
155.08594	2.9
156.09370	2.6
157.10149	10.4
159.08084	2.7
159.11700	6.2
161.09567	3.6
161.13260	4.4
163.14848	2.2
165.12766	1.6
167.08618	2.0
169.10133	4.2
171.11682	3.4
173.09647	2.6
173.13243	4.0
175.11182	9.7
181.10149	2.3
183.11681	5.4
187.14812	2.0
191.14253	8.7
193.15884	3.2
195.11839	2.2
197.13316	2.0
201.12730	3.4
203.14307	8.0
205.15901	43.3
211.14836	1.8
215.17990	1.8
217.15970	3.8
218.16664	12.5
229.15955	2.1
253.15923	1.8
270.19821	2.5
271.20599	5.0
281.28360	7.5
284.21298	2.6
309.28046	2.3
313.21680	3.0
351.28876	2.0
375.28876	5.2
393.20566	3.7
393.28030	18.7
393.35144	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.6
55.05516	21.0
57.07074	22.4
59.61133	3.3
60.79025	3.8
67.05230	3.2
67.05505	32.9
69.07070	22.5
69.33810	4.4
70.18100	12.7
71.08626	10.6
79.05492	38.6
81.07063	61.6
83.05002	8.1
83.08599	13.6
85.06510	3.3
85.10167	3.5
91.05487	54.7
93.06496	4.0
93.07050	70.4
95.04980	47.4
95.08617	45.8
97.06523	8.4
97.10175	5.2
98.98470	18.2
103.05465	5.6
104.04593	2.9
105.07033	100.0
107.07974	5.0
107.08600	51.0
109.06509	11.7
109.10156	26.4
111.08071	4.9
115.05439	5.2
117.07037	19.9
119.08589	78.5
121.06548	17.6
121.10143	33.9
123.08067	4.0
123.11694	4.7
128.06209	12.2
129.07011	17.0
130.07764	10.9
131.08568	43.6
133.06418	4.7
133.10117	44.1
135.08055	7.9
135.11694	23.9
141.06966	7.8
142.07808	19.8
143.08577	32.8
144.09323	11.0
145.06451	4.0
145.10126	59.6
146.10794	3.7
147.08038	5.5
147.11731	23.1
149.09631	5.0
154.07811	4.5
155.01054	25.9
155.08627	7.7
156.09366	9.5
157.10139	53.0
158.10849	6.1
159.08035	5.2
159.11697	47.0
161.09590	16.4
161.13240	4.7
165.07028	4.2
167.08475	8.3
168.49452	3.6
169.10083	17.9
171.11714	31.3
172.08730	3.9
173.09587	6.8
173.13229	21.2
175.11163	9.8
175.14847	12.5
181.10088	10.8
183.11687	16.3
185.13229	10.1
187.11179	9.2
187.14816	9.1
195.11687	11.3
197.13260	13.5
199.11111	3.7
199.14815	9.6
201.16391	11.0
203.14247	3.6
206.10854	3.8
207.11728	7.0
209.13261	10.9
211.14833	10.3
213.16393	6.2
221.13393	6.7
223.14891	6.2
224.15413	4.1
225.16301	5.9
235.14777	5.4
239.14275	3.7
241.19272	4.0
249.16475	3.6
253.15889	6.5
295.65454	3.4
343.60760	4.0
373.79462	3.9
375.26874	5.9
393.27716	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	393.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.5
55.05297	3.9
55.05518	33.1
57.03442	8.2
59.05000	4.0
61.02927	5.8
61.63813	2.9
65.03947	3.4
65.56338	2.9
67.05502	12.6
69.03426	10.3
69.07065	12.8
70.06625	3.8
70.29702	5.7
70.30072	7.6
71.05004	38.7
75.48038	3.2
79.05489	11.6
81.07053	19.2
82.34301	3.6
83.04983	39.8
83.08643	3.4
85.02907	6.1
85.06556	7.8
87.04468	3.5
91.05493	19.3
93.07040	13.8
95.04971	13.8
95.08625	4.2
97.02872	5.3
97.06538	7.3
97.10219	6.1
98.21422	4.6
99.04444	4.9
105.07059	17.7
107.08591	12.3
109.06505	6.0
109.10170	6.8
115.05508	3.8
117.07005	15.6
119.04942	5.8
119.08566	15.9
121.02891	6.1
121.06537	10.7
125.09683	7.1
127.11203	100.0
127.12154	5.8
128.06204	7.3
129.07016	8.0
130.07820	4.1
131.08598	11.9
133.06499	7.1
133.10126	5.0
135.08090	4.7
137.05991	12.2
137.09546	3.3
141.06982	7.0
141.08034	3.3
142.07776	7.5
143.08562	15.2
145.06490	10.5
145.10117	12.4
147.08051	11.2
149.05998	6.7
149.09644	5.1
151.07642	4.0
153.06953	5.8
154.07803	5.7
155.08554	6.4
156.09343	5.5
157.10159	6.9
159.08076	15.0
159.11659	7.2
161.05992	11.6
161.09645	9.4
163.07542	11.6
165.09142	4.0
169.10136	21.2
171.08061	10.2
171.11688	5.9
172.08919	8.0
173.09595	20.7
175.07559	13.2
175.11244	5.2
177.05365	3.9
181.08583	4.7
181.10081	5.2
182.07216	3.8
183.11656	3.2
187.07506	7.8
187.11212	11.4
189.09154	21.0
191.07118	9.9
197.09669	20.2
199.11203	8.7
201.09096	13.0
201.12804	7.0
203.07083	9.0
203.10594	4.5
205.08604	35.4
207.10118	3.7
215.10663	23.2
215.21187	3.1
217.08572	22.4
219.04567	4.2
219.10185	46.1
225.09094	11.0
227.10680	6.5
229.12225	19.8
230.09288	4.9
231.10211	9.5
233.08081	4.6
233.11678	6.8
243.10225	22.2
245.08145	4.1
245.11684	7.6
247.09697	3.6
247.13184	5.7
249.11360	5.0
257.11563	4.1
261.11240	40.7
261.96072	3.9
269.15213	3.4
273.14969	12.9
275.12741	5.1
289.18039	4.3
293.13870	9.1
299.16428	20.8
305.17636	4.2
306.14771	20.6
306.17789	4.7
315.19626	4.2
317.17557	11.5
325.17999	4.4
343.19009	12.7
357.20517	5.0
361.20267	5.4
375.21838	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	393.2273
Annotation	Oleaxillaric acid
Peak:m/z	Relative Intensity
53.03937	4.2
55.05515	30.1
61.13277	3.7
62.06662	4.1
67.05519	24.3
69.03460	4.8
69.07069	15.0
69.97982	16.3
69.98376	8.8
74.30192	4.0
79.05498	25.2
81.07063	36.3
83.04984	31.5
83.08626	9.9
85.06537	6.6
91.05491	46.1
93.07054	36.9
94.43313	3.9
95.04966	10.8
95.08621	48.1
97.06525	8.0
97.10167	7.1
105.07034	54.2
107.04950	6.1
107.08588	42.4
109.06507	5.6
109.10163	33.1
111.08127	4.0
117.07056	21.6
117.07755	3.9
119.04950	5.4
119.08583	45.0
121.02876	4.1
121.06491	7.2
121.10106	21.2
121.30968	3.8
123.08113	5.7
123.11726	16.4
125.09594	4.5
129.06987	8.9
131.08592	28.2
133.10139	16.8
135.04420	14.0
135.08063	7.0
135.11682	40.0
137.06075	4.4
141.06946	5.2
142.07799	6.1
143.08568	18.5
145.10126	39.1
147.08076	6.2
147.11664	20.9
149.13292	25.3
153.06966	4.7
155.08612	10.6
157.10144	10.4
159.04434	4.6
159.08043	6.7
159.11705	32.8
161.06023	7.5
161.09563	5.8
161.13260	12.7
163.07454	6.7
163.11168	5.8
169.10136	16.6
171.10352	4.8
171.11755	15.5
173.09598	9.5
173.13303	14.5
173.24261	3.8
175.07613	4.8
177.09105	6.7
179.04695	4.1
182.15474	4.1
185.13284	13.7
187.11148	5.4
191.07030	9.8
191.10732	8.7
197.09584	10.9
199.11142	4.6
199.14832	7.0
201.09172	4.4
205.12270	10.7
210.14743	4.5
215.10710	16.2
217.12242	5.2
225.09093	5.4
231.13780	4.8
241.19531	65.7
243.10141	13.4
250.94131	4.5
251.18021	6.3
259.20612	22.2
261.11124	6.0
265.14438	4.6
269.18961	18.8
277.14456	4.6
287.20062	61.0
297.18594	5.9
301.21561	5.4
305.21106	23.8
315.19119	4.3
329.21326	4.5
330.73636	4.6
333.20676	29.7
345.42856	3.7
347.22192	96.4
347.26517	5.2
351.21695	100.0
351.45416	3.9
375.06989	5.4
393.10922	6.1
393.22873	23.7
393.30859	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	393.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	17.1
55.05517	84.6
67.05500	37.1
69.03422	38.7
69.07078	53.0
71.04968	12.1
79.05500	27.0
81.07040	39.1
83.04998	100.0
83.08602	12.4
85.02908	36.5
88.89455	10.4
91.05494	45.1
93.03400	10.7
93.07061	55.1
95.04942	23.7
95.08604	63.3
97.02886	20.9
97.06532	24.7
98.97577	26.6
105.07040	55.8
107.04942	25.3
107.08605	47.6
109.06492	20.3
109.10127	16.2
115.05474	13.4
116.98649	15.7
117.06999	20.2
119.08561	36.8
121.06477	17.3
121.10109	14.9
123.08047	27.1
127.03859	17.2
128.06223	15.7
129.06999	25.6
131.04918	10.5
131.08556	40.9
132.31792	9.4
133.06488	13.1
133.10124	21.9
135.04362	15.5
135.08061	39.0
135.97174	9.8
137.06023	59.2
141.07025	16.9
143.08551	34.1
145.06511	13.6
145.10112	29.9
147.08060	23.4
149.05989	13.0
149.09612	10.7
151.03903	13.0
151.07530	36.8
153.05418	11.4
154.07765	16.9
155.08553	34.9
157.10123	24.1
159.08127	11.4
159.11708	16.4
161.09654	22.4
163.07553	26.2
166.74736	9.3
169.10112	55.0
171.07971	15.0
171.09262	13.3
173.09633	14.9
175.07536	42.8
185.09579	15.6
185.13274	19.5
187.11194	19.1
189.09099	30.2
191.06990	13.5
197.09625	57.2
201.09143	14.0
203.10643	10.9
213.09111	17.9
213.12753	11.6
215.10649	33.2
217.12277	10.2
219.01842	10.8
219.13654	10.9
225.09161	11.0
231.13811	92.7
237.02672	15.2
243.10164	25.5
245.11873	9.9
275.12585	19.4
309.89325	10.9
369.01276	10.2
393.23148	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	393.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
55.05281	2.8
55.05517	45.6
57.44379	2.4
59.04998	7.4
60.20710	2.4
65.03957	3.5
67.05495	6.1
69.03428	8.5
69.07074	3.3
69.64235	15.9
71.04971	3.7
74.38712	2.5
79.05492	13.5
81.07057	7.7
83.04987	100.0
85.06533	9.1
91.05492	31.0
93.07032	11.9
95.04971	23.1
95.08583	4.1
97.02885	10.5
97.06510	3.3
98.21501	3.6
99.04501	3.6
103.05455	4.9
105.07038	22.4
105.37359	2.7
107.04980	3.6
107.08582	5.0
109.06500	6.7
109.10136	3.1
111.08084	3.3
115.05426	7.3
117.07024	17.9
119.04950	8.1
119.08600	16.5
121.02799	3.0
121.06519	9.2
123.04412	3.6
123.08036	4.0
127.11165	6.0
128.06223	9.6
129.07013	14.2
131.08563	10.6
133.06490	11.3
135.04396	3.2
135.08029	10.8
137.06000	3.0
141.06981	7.9
142.07788	5.8
143.08603	12.9
145.06523	12.5
145.10173	14.9
147.08072	7.3
149.05981	9.6
151.07558	7.5
153.06932	5.6
154.07777	16.9
155.08546	10.1
156.09383	5.6
157.10086	5.3
158.07269	5.2
159.08038	15.5
159.11646	7.6
161.05968	7.3
161.09612	5.6
163.07568	17.2
165.05496	6.1
165.06956	6.1
166.07852	2.7
167.08563	4.0
169.10164	29.3
171.08055	7.7
171.11665	4.5
172.08801	4.5
173.09676	14.1
175.07538	5.4
175.11078	3.0
177.09039	3.1
179.07130	4.5
179.08475	4.7
181.08554	7.7
181.10066	4.7
182.07259	8.5
183.08073	5.8
184.08835	4.8
185.13437	3.2
187.07501	2.9
187.11154	14.2
189.09067	6.2
191.06999	4.0
193.08649	3.0
197.09624	34.3
199.07602	3.6
199.11127	7.0
201.09171	11.9
205.08626	13.6
215.10695	33.7
217.08557	4.4
219.10106	5.7
225.09142	13.1
233.11719	6.9
243.10179	29.2
247.13315	3.3
257.59219	2.5
261.11227	19.2
275.12759	3.9
293.00476	2.8
293.13907	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	393.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.6
55.05270	6.0
55.05515	83.9
59.04990	9.8
61.11893	3.8
67.05507	7.8
69.03423	7.8
69.82008	20.5
79.05476	15.8
83.04982	100.0
85.06535	14.1
91.05476	40.4
93.07050	10.7
95.04961	34.1
95.08595	5.0
97.02898	16.6
99.04453	5.7
103.05453	9.6
105.07039	28.6
107.08559	6.8
115.05457	11.9
117.07022	34.2
119.04942	11.2
119.08592	30.8
121.06485	12.7
125.05966	4.0
128.06232	13.3
129.06973	20.2
130.07828	4.6
131.04968	4.7
131.08589	12.2
133.06491	17.1
135.04422	5.2
135.08044	17.9
137.05949	4.9
141.06972	16.8
142.07774	11.3
143.08575	23.1
145.06506	20.5
145.10124	17.0
147.04449	7.9
147.08028	9.5
149.05989	12.6
151.07516	5.9
153.06967	10.1
154.07771	26.8
155.08574	13.5
156.09364	9.6
157.06493	8.7
157.10187	5.7
158.07304	7.5
159.08057	19.2
159.11699	10.9
161.06003	12.3
163.07523	31.5
165.05501	10.7
166.07814	4.1
169.10129	53.5
171.08060	9.2
171.11694	11.6
172.08835	6.1
173.09657	25.6
175.07547	5.2
176.49426	4.0
179.08530	6.3
181.06531	5.7
181.08597	12.7
181.10089	7.8
182.07231	18.8
183.08023	5.5
184.08870	5.1
187.07507	11.5
187.11208	25.8
197.09616	53.4
199.11174	12.1
201.09190	14.0
205.08571	21.3
215.10681	56.7
221.08162	6.3
225.09116	28.5
229.11943	5.0
233.11693	9.3
243.10155	51.6
243.93105	4.2
247.13033	7.5
261.11273	26.3
275.12753	8.0
309.86697	4.7
328.94434	4.8
409.50519	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61533	0.2
51.31579	0.3
53.03936	0.4
55.01863	0.4
55.05489	1.0
56.03923	0.3
57.03415	1.3
67.05502	0.5
69.03432	2.6
69.07038	1.2
71.04962	0.4
71.50957	0.4
73.02894	0.4
79.05480	0.8
81.03387	1.2
81.07036	1.1
83.01328	0.3
83.04967	0.4
83.08603	0.5
85.02455	0.5
85.02909	7.5
91.05452	0.8
93.07021	0.6
95.08579	1.3
97.02879	1.0
97.06548	0.6
99.04429	0.4
105.07000	1.2
107.05042	0.3
107.08557	1.1
109.02846	0.9
109.06477	0.4
109.10118	0.3
111.04401	0.3
119.08559	0.5
121.06510	3.3
123.04418	0.4
123.08018	0.5
125.09660	0.5
127.03909	1.8
128.06247	0.3
129.06944	0.4
131.08521	0.4
133.06552	0.4
133.10114	0.6
135.08031	1.2
137.05975	4.5
143.08577	1.5
145.04933	0.8
145.06415	0.3
145.10135	1.3
147.04483	0.3
147.08034	1.7
149.05931	0.9
149.09560	0.7
151.07535	4.7
157.06435	0.3
157.10115	0.4
159.08038	1.3
161.05971	4.9
161.09634	5.0
162.06789	0.5
163.06473	0.3
163.07578	3.3
163.11137	0.3
170.76778	0.3
171.08061	0.7
172.08667	0.3
173.09613	1.8
174.06775	1.8
174.10367	1.0
175.07550	12.2
175.11157	0.8
176.08318	2.2
177.09113	4.2
185.09560	0.4
185.13304	0.3
187.07513	0.6
188.08287	1.3
189.07393	0.7
189.09106	11.4
190.09825	0.6
191.10684	16.6
199.07538	0.3
201.09090	1.1
202.09880	0.8
203.10648	0.8
203.14279	1.5
213.12741	1.2
214.09898	0.3
215.10655	1.1
216.11462	1.5
217.12263	0.4
229.12285	2.5
231.13803	100.0
232.14127	2.9
243.13957	0.7
247.13277	0.3
275.87540	0.3
357.17181	0.3
388.32745	0.3
393.19110	11.7
417.55829	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.7
57.03434	1.4
67.05492	0.9
69.03444	3.6
69.07057	1.6
71.44818	1.1
71.45195	0.6
81.03400	1.9
81.07053	1.9
83.04963	0.8
85.02917	9.7
93.75880	0.6
95.08585	1.8
97.02872	1.1
97.06561	1.2
105.07040	1.5
106.73817	0.6
107.08597	2.0
109.02888	1.0
109.06543	0.9
119.08555	0.8
121.06488	3.5
123.08075	1.0
127.03938	2.0
129.07037	1.0
135.08089	0.7
137.05997	6.1
143.08592	1.4
145.10112	1.4
147.08023	1.2
149.05991	1.1
149.09586	0.8
151.07581	6.1
159.08043	1.8
161.05972	4.5
161.09628	4.0
163.07529	2.9
165.02922	0.7
173.09688	1.7
174.06789	1.7
174.10487	0.7
175.07568	14.0
176.08331	2.8
177.09070	4.8
188.08411	1.5
189.09143	11.8
191.10690	18.1
192.11046	1.0
201.09119	1.1
202.09865	1.5
203.10727	0.7
203.14288	1.4
213.12711	1.1
215.10645	0.8
216.11433	1.2
229.12289	3.2
231.13814	100.0
232.14151	2.4
325.01810	0.7
393.19064	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	393.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64047	4.4
55.01877	5.6
55.05276	5.6
55.05515	98.7
58.25146	3.8
58.59537	3.9
59.04989	13.6
65.03928	5.3
67.05498	14.9
69.03424	10.0
69.07071	6.0
71.50709	5.2
71.51080	5.5
79.05505	20.7
81.07061	22.8
83.04986	100.0
83.08617	5.6
85.06528	8.5
85.66720	3.9
91.05487	35.2
93.07032	24.4
95.04958	12.4
95.08608	23.3
97.02882	12.9
97.06491	7.1
103.05470	4.9
105.07059	24.6
107.08600	14.2
109.10170	14.6
111.04491	5.1
115.05484	6.7
117.07013	19.5
119.04955	4.9
119.08603	21.8
121.02859	4.3
121.06522	19.4
121.10152	7.5
123.11732	9.0
125.05939	5.1
128.06203	13.5
129.07007	17.5
129.10324	4.2
131.08553	17.5
132.05681	7.2
133.06445	9.1
133.10153	9.4
135.04434	41.1
135.08043	4.9
135.11700	12.7
137.05901	4.5
141.06989	15.6
143.08551	24.6
145.06529	8.4
145.10120	26.6
147.08006	11.3
147.48155	4.3
149.06047	7.0
149.13260	10.2
153.07018	8.4
154.07777	23.6
155.08514	19.5
157.06523	5.1
158.07314	6.3
159.04427	10.2
159.08075	11.9
159.11696	17.7
161.05974	15.7
161.09720	6.2
161.13353	5.1
163.07542	8.7
169.10147	41.5
171.08105	9.7
171.11690	9.9
172.37662	5.5
173.09604	18.4
175.07524	11.4
179.08574	9.7
182.07265	6.3
183.08134	5.9
187.07533	14.5
187.11220	10.9
191.07069	43.2
197.09647	46.4
197.13269	4.3
199.07494	6.6
199.11195	10.4
201.09099	16.7
211.11136	8.6
215.10724	36.3
217.12210	5.5
225.09073	14.3
229.12198	11.8
241.19600	12.5
243.10219	26.6
247.13379	12.0
257.11765	12.7
261.11230	19.2
269.18927	5.8
287.05505	5.3
287.20148	20.6
293.13574	9.0
304.79266	4.5
305.21130	11.8
317.06412	6.6
333.06030	10.1
333.20566	14.7
347.22202	14.3
351.21655	32.2
375.07080	13.9
393.22702	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	393.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21519	1.2
56.96569	2.8
58.99852	1.1
61.02925	1.1
70.06606	1.3
70.44140	3.2
74.08511	1.0
81.04564	1.1
82.99378	1.3
82.99860	4.8
84.08138	1.1
85.02935	2.2
85.03474	1.0
97.02884	1.4
98.21165	2.7
98.97581	4.5
101.00890	29.5
103.00602	1.1
103.02465	2.3
113.00874	10.1
113.04517	1.7
115.02441	5.3
118.08664	2.1
119.01160	2.1
119.01933	27.8
127.02415	2.4
129.03976	2.3
131.01926	19.1
131.05586	9.7
133.03471	5.3
137.00883	2.8
137.03032	1.7
141.04070	1.2
143.01909	96.1
144.02013	2.0
145.03479	10.7
147.01434	1.8
147.05003	4.6
149.02995	1.4
149.06596	8.7
155.01913	29.7
155.05574	3.3
156.02707	2.7
156.98128	1.3
157.03493	5.0
159.05054	5.1
161.02969	89.3
162.03172	1.8
167.01889	1.2
167.05563	3.4
169.03490	2.3
169.07098	1.4
171.05042	4.4
173.02989	22.9
173.04362	2.5
173.06622	31.3
174.99147	2.9
175.04532	3.4
177.00824	1.3
177.06056	4.6
184.04550	1.2
185.03040	4.3
185.06604	33.0
187.04514	1.9
187.08183	7.4
189.06151	1.6
191.07658	3.6
197.06529	2.9
199.08224	1.9
201.00801	2.0
201.02560	3.1
201.06123	2.9
203.04031	10.4
203.07666	14.3
209.06587	2.3
213.06172	1.9
215.07625	16.1
219.03481	3.4
219.07033	1.5
221.05081	19.7
227.07597	2.5
231.07155	4.5
233.08736	3.2
245.05159	3.0
257.08755	6.5
273.08264	4.0
275.09772	36.1
276.10187	1.3
293.10818	100.0
294.10938	2.0
303.05609	3.7
315.09290	1.2
316.12427	2.0
375.11484	12.9
383.30795	1.2
393.12445	81.5
394.12692	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15345	2.2
50.64782	2.1
53.03947	5.1
55.01868	5.0
55.05513	10.6
57.03442	3.4
61.02937	4.1
62.56809	1.9
63.45500	2.3
63.60339	2.3
66.20456	2.7
67.05516	4.2
68.99804	3.3
69.03445	4.7
70.67712	2.0
71.01351	4.6
71.23618	3.8
71.23975	2.7
79.05484	7.9
79.66187	2.4
81.03425	3.8
81.07057	5.0
83.04993	13.0
85.02925	13.3
87.00832	5.4
91.05498	10.6
93.07059	3.8
95.05008	3.9
95.08599	9.5
97.02899	66.0
97.06536	2.4
105.07027	9.1
107.04958	4.8
107.08631	5.9
111.04457	20.9
115.05480	11.2
117.07013	9.8
119.04945	4.9
119.08575	3.0
128.06239	8.7
129.01889	2.7
129.07019	8.9
131.04970	3.8
131.08585	8.2
133.06476	6.9
135.08112	3.3
137.06058	2.3
141.07040	8.5
143.04906	7.2
143.08577	5.2
144.05736	5.3
145.06503	10.9
145.10129	5.5
147.04430	8.5
147.08052	3.6
149.09511	2.9
153.05446	11.8
154.07773	3.0
155.06094	3.2
155.08569	7.7
157.06485	8.8
159.04437	3.0
159.08086	7.6
160.05292	2.7
161.06012	13.9
161.09566	2.7
164.04643	2.4
165.07027	8.7
169.06552	4.7
169.10121	3.6
171.04425	4.2
171.08067	3.3
173.05989	13.9
173.09700	5.5
173.13217	2.4
174.06725	3.2
175.07597	5.1
176.04797	4.3
177.05472	11.4
178.06290	4.4
179.07071	6.7
181.06551	4.6
182.07343	3.8
183.08084	6.6
185.06007	10.7
187.03960	3.5
187.07545	18.7
187.14844	4.4
188.04697	4.3
189.09135	5.8
190.06284	5.0
191.03381	3.6
191.07045	18.0
193.08543	6.3
197.06073	4.1
197.09637	5.6
199.07530	4.4
200.04707	3.8
201.09109	9.6
202.06232	7.6
203.07074	26.6
204.07852	4.3
205.08588	7.7
206.05643	4.9
210.06821	4.3
211.07491	13.1
213.05421	5.0
214.06198	5.3
214.79665	2.3
215.03458	3.1
215.07074	10.7
215.10663	3.0
217.08626	37.5
219.10158	12.1
221.06084	2.9
225.09119	10.9
227.07094	3.9
228.07843	6.4
229.08595	11.5
232.07170	3.1
233.04437	2.4
233.08183	4.2
239.07018	3.2
243.10184	20.3
245.08057	7.8
247.09549	12.8
248.06813	6.1
253.08588	7.4
261.11163	6.8
261.18503	3.9
271.09644	27.6
289.10709	100.0
307.11789	8.5
317.02933	3.9
347.07657	9.2
375.10852	2.7
393.22705	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	393.0581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37843	10.1
55.27874	8.3
69.21217	79.9
94.93007	100.0
96.92880	10.0
113.00791	10.8
119.01951	24.0
127.80154	10.4
145.03441	23.1
156.04221	14.5
161.02942	16.5
163.04451	13.6
178.53651	10.2
187.04549	28.2
204.87054	45.4
205.05511	13.7
229.05574	23.7
231.03520	23.6
248.89572	12.5
273.04556	30.4
327.58139	9.8
349.09381	11.6
350.55698	9.7
392.98892	22.0
393.05630	71.3
393.10806	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00663	1.5
53.03939	3.0
55.01865	5.0
55.05502	2.4
56.20889	1.6
57.03434	2.6
61.02926	4.2
67.05522	2.2
68.99797	7.3
69.03430	3.3
69.07095	1.7
70.67993	3.6
70.68406	3.7
71.01350	4.2
79.05498	5.0
81.03416	4.8
81.07047	2.0
83.04978	2.9
85.02912	10.0
87.00836	10.0
90.11226	1.6
91.05483	6.8
93.07056	2.7
95.04996	2.7
95.08616	2.5
97.02900	68.4
99.04476	2.3
103.03903	1.8
103.05441	2.7
103.23836	1.8
105.07043	5.0
107.04978	2.2
111.04450	16.9
115.05450	8.7
117.07014	7.2
119.04929	4.3
121.06546	2.6
128.06221	6.3
129.01843	6.1
129.07005	9.2
130.07719	1.9
131.04918	4.1
131.08615	4.3
132.05771	1.9
133.06514	4.8
135.04449	2.2
135.08087	1.8
141.06984	7.4
143.04953	6.2
143.08566	1.8
144.05707	2.1
145.06509	12.1
146.65598	2.0
147.02928	2.2
147.04417	7.8
147.08034	3.6
147.11719	2.0
153.05486	8.9
153.06985	3.4
154.07745	2.4
155.08574	6.7
157.05276	1.8
157.06470	10.5
159.04436	4.6
159.08080	6.4
159.11804	2.2
160.05197	4.4
161.02364	14.4
161.05975	10.6
165.07056	9.0
167.08571	2.2
168.05785	1.8
169.06532	5.0
171.04446	3.1
171.08119	1.7
173.06009	18.4
173.09677	4.4
174.06747	3.4
175.07602	4.4
176.04794	2.7
177.05516	8.2
179.07112	4.7
181.06511	2.3
182.07336	5.6
183.04475	2.5
183.08125	8.9
184.05190	2.9
185.05960	15.4
186.06744	3.1
187.03952	3.3
187.07564	13.7
188.04669	1.9
189.05476	2.9
189.09097	5.2
191.03461	2.1
191.07019	17.3
193.08624	7.1
197.05972	3.9
197.09708	2.9
199.03911	2.6
199.07640	3.3
200.04768	4.0
201.05502	3.1
201.09088	12.5
202.06259	7.3
203.07040	26.5
204.04260	2.2
204.07843	2.9
205.04996	2.4
205.08638	9.3
206.05864	3.5
210.06883	2.6
211.07573	17.2
213.05643	2.1
214.06230	5.0
215.03563	2.6
215.07056	13.3
215.10649	2.2
217.08638	33.5
218.09259	4.6
219.10146	14.8
225.09099	10.0
227.07103	3.3
228.07840	7.8
229.08621	12.9
230.05667	3.5
232.07266	2.5
238.06418	1.9
239.07053	6.1
241.03400	2.2
243.06529	3.0
243.10179	19.6
245.08134	14.3
247.09624	14.1
248.06865	3.6
253.08627	6.6
257.08054	4.2
259.09717	1.8
261.11203	6.8
271.09692	32.1
277.10751	2.4
289.10727	100.0
290.11185	4.6
307.11823	5.1
331.11835	1.8
375.10889	3.1
393.10004	4.1
394.25803	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	392.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14897	1.9
53.38157	2.3
56.27587	2.3
60.64750	2.3
69.47711	4.8
69.48117	13.0
81.03390	2.5
85.02910	5.3
91.03987	2.2
91.05482	2.9
102.05554	3.2
103.05451	3.7
107.04964	39.8
120.05774	2.6
123.04441	3.2
135.08054	7.9
140.63632	2.6
151.03944	2.8
154.06268	2.6
163.07573	27.8
167.07057	100.0
168.07199	2.4
195.10191	26.7
213.11241	85.7
284.52069	2.6
326.84897	2.5
342.07526	2.5
368.05338	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	392.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	47.8
57.03445	26.5
67.05505	45.1
69.03423	20.6
69.07072	27.6
71.01881	23.4
71.02217	27.8
71.04998	29.3
79.05497	36.5
81.07047	53.0
83.04958	26.0
83.08677	18.2
91.05479	55.9
93.07035	40.1
95.04974	20.6
95.08601	20.4
105.07018	66.8
107.08574	40.2
109.10172	22.6
117.07021	30.3
118.70775	14.0
119.08565	43.8
121.02874	63.0
121.06491	26.0
121.10175	33.0
127.11208	100.0
128.11554	23.8
131.08607	32.9
133.10159	27.9
135.08041	46.3
142.07809	23.0
143.08560	30.9
145.10133	62.1
149.02299	25.5
149.05974	18.8
155.08562	21.5
156.09344	14.2
157.10071	16.2
158.10445	16.5
159.11681	35.3
161.09583	18.3
163.07483	19.6
164.08028	15.4
169.10020	22.9
171.11642	31.4
176.07881	16.4
178.92694	17.8
193.10132	19.8
195.01363	15.2
204.11061	18.1
216.07539	23.5
217.08606	23.5
231.10263	29.7
232.10486	37.4
244.10342	20.2
253.33733	15.6
257.72141	16.7
262.11548	31.9
264.13080	23.3
272.13702	68.9
274.11591	20.9
292.12714	43.9
300.16742	22.5
332.19174	18.8
342.17914	52.5
347.22247	26.2
351.18295	28.6
360.18881	69.2
369.19489	37.3
392.21393	62.8
392.26810	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	391.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.2
55.01875	13.8
55.05515	38.6
57.03427	10.4
57.07078	15.2
65.03931	5.8
67.05507	41.1
69.03410	2.5
69.07073	40.1
69.59449	16.0
71.08642	3.4
71.51396	2.4
74.35746	2.7
77.03919	3.0
79.05497	41.5
81.07058	55.9
83.04984	9.4
83.08618	31.9
85.06548	7.3
85.10153	2.6
91.05481	36.0
93.07050	64.1
95.04974	59.5
95.08607	37.9
97.06525	17.4
97.10168	17.3
98.20821	2.9
98.98470	83.2
103.05474	4.2
105.04575	4.2
105.07037	67.2
107.08595	45.0
109.06530	8.9
109.10149	26.1
111.08085	4.8
111.11742	4.8
115.05528	3.8
117.07035	15.3
118.75237	2.3
119.08583	57.2
119.91648	2.3
121.06534	9.9
121.10146	44.1
123.08071	5.9
123.11702	8.9
125.09610	4.0
125.13294	3.0
128.06229	9.1
129.06995	16.3
130.07748	4.6
131.08569	23.3
133.10136	23.1
135.08043	3.8
135.11702	23.3
137.13220	4.1
141.06985	5.0
142.07771	17.4
143.08562	32.9
144.09334	5.9
145.10118	38.4
145.11154	3.3
147.08026	3.4
147.11691	7.4
149.02339	7.7
149.09610	3.3
149.13298	5.1
153.06981	6.1
154.07735	4.1
155.01047	80.0
155.08533	18.7
156.09378	18.3
157.10146	43.0
158.10901	4.5
159.08072	4.6
159.11694	27.3
161.09665	11.4
161.13245	5.4
163.14818	4.4
165.07054	7.6
166.07799	3.5
167.08600	12.9
168.09329	8.7
169.10126	27.7
170.10956	11.9
171.11700	34.2
172.12384	3.0
173.09587	5.7
173.13275	10.8
175.14861	2.6
179.08565	12.6
180.09358	7.1
181.10120	21.8
182.10941	8.6
183.11691	21.3
184.12357	3.4
185.09619	5.2
185.13321	18.6
187.11250	3.5
187.14711	13.7
188.78812	2.6
191.14336	2.8
192.09381	7.1
193.10176	22.5
194.10889	11.3
195.11719	26.6
196.12398	12.4
197.13228	23.3
198.03677	2.6
198.13922	2.4
199.11172	6.3
199.14784	7.7
201.12779	3.8
203.14371	4.0
205.10117	6.5
205.15907	3.9
206.10939	10.2
207.11693	22.7
208.12431	12.3
209.13252	28.6
210.14073	5.7
211.11176	3.6
211.14848	16.8
213.12778	10.1
215.14340	3.3
217.10117	3.3
218.10966	8.0
219.11673	13.6
219.21146	9.5
220.12566	7.3
221.13234	25.0
222.13931	7.5
223.11131	4.1
223.14883	23.4
225.12773	5.0
225.16397	9.2
227.14159	2.8
230.10870	3.4
231.11639	5.9
232.12482	5.0
233.13290	13.1
234.14151	7.9
235.14818	12.1
236.15605	4.7
237.12750	4.0
237.16418	9.2
237.22166	23.8
238.17151	4.6
239.14310	7.2
239.17975	4.3
241.15820	4.9
243.11719	5.8
244.12579	4.1
245.13335	7.2
246.14056	4.9
247.14838	11.0
248.15871	3.7
249.16393	20.9
250.16843	4.3
251.14395	4.9
251.17982	15.0
252.18684	2.8
253.15871	4.2
253.19579	4.8
255.17398	3.2
257.13174	5.6
259.14932	5.6
260.15659	4.0
261.16382	8.1
263.18021	11.7
264.18713	4.4
265.19589	6.9
267.17545	14.5
269.19080	8.3
270.19644	3.2
271.20511	3.5
273.16360	4.7
274.17065	4.0
275.17892	9.8
277.19608	7.0
281.19049	5.3
282.19830	10.1
283.20557	4.2
285.16187	2.9
287.17859	4.0
289.19531	7.3
291.17554	3.9
291.21027	4.3
293.19064	4.5
299.17844	4.3
301.19766	3.4
307.20578	4.3
315.21198	3.9
317.19034	5.3
345.25967	5.9
347.23849	4.6
355.24237	3.6
362.26105	2.7
373.25299	29.1
391.26334	100.0
392.26505	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	391.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.05519	11.0
57.07059	4.6
59.04986	2.6
67.05499	13.2
69.03441	2.5
69.07059	6.5
70.22215	9.1
71.08605	2.4
79.05498	20.0
81.03468	1.9
81.07057	29.4
83.04957	4.3
83.08619	3.2
85.06547	3.2
91.05493	26.6
93.07048	28.1
95.04979	30.6
95.08605	13.9
95.59923	2.0
97.06529	6.8
98.84790	1.9
105.07032	50.2
107.08577	19.5
109.06525	8.2
109.10138	10.0
109.62595	2.1
113.74012	2.1
115.05485	3.4
117.07014	11.6
119.08591	42.0
121.06488	12.2
121.10159	19.0
123.08065	4.6
128.06229	8.0
129.07048	11.9
129.07813	2.1
130.07826	3.6
131.08568	19.2
133.06523	2.4
133.10144	17.3
135.08073	5.7
135.11702	4.1
136.89165	2.3
141.07007	7.8
142.07832	14.4
143.08560	21.8
144.09302	3.2
145.10124	31.9
147.08044	5.0
147.11725	7.7
149.02354	14.9
149.09613	4.0
153.06975	3.7
154.07712	2.9
155.08524	14.5
156.09317	8.9
157.06485	2.1
157.10144	26.4
158.10918	3.1
159.08087	7.2
159.11732	12.9
161.09656	9.3
161.13252	2.2
165.06987	6.6
166.07761	2.7
167.08638	10.3
167.10660	2.8
168.09276	2.9
169.10130	19.3
170.10892	3.4
171.08020	2.9
171.11670	15.3
173.09616	6.1
173.13298	10.7
175.07570	3.3
175.11102	3.2
177.09186	2.8
179.08572	8.0
180.09317	4.2
181.10068	9.9
182.10860	6.3
183.11720	18.0
184.07330	4.5
184.12563	2.1
185.09647	4.6
185.13278	8.2
189.12845	2.5
192.09354	4.0
193.10136	13.2
194.10963	7.0
195.11710	15.5
196.12448	4.8
197.09619	5.9
197.13271	15.3
199.11208	5.5
199.14825	4.2
201.12862	3.1
203.14407	2.4
205.10146	4.1
206.10902	6.2
207.11700	16.1
208.12483	5.1
209.13275	17.1
211.11201	5.1
211.14854	8.1
213.12711	3.8
215.14211	3.0
217.10069	3.4
218.11026	3.5
219.11685	9.3
220.12424	3.5
220.38745	2.3
221.13272	9.2
222.14003	3.9
223.11282	3.0
223.14821	7.3
225.12845	4.6
225.16412	3.8
227.14365	2.9
231.11743	5.2
233.13263	7.3
234.13837	3.4
235.14793	9.6
236.15573	3.0
237.12781	2.5
237.16504	2.9
241.15663	2.3
245.13239	4.0
246.13998	2.9
247.14859	7.3
249.12613	2.3
249.16370	7.2
251.14568	2.5
251.17906	2.6
257.19193	2.8
259.14844	3.0
261.16370	4.9
262.17047	2.5
263.18027	3.8
265.16110	2.5
265.19449	3.2
267.17343	3.6
271.14749	3.9
273.16101	3.0
274.17050	3.3
275.17935	5.4
277.19565	2.7
279.17645	2.1
281.18796	2.6
282.19736	3.1
289.19470	3.4
291.17560	5.1
293.18942	3.3
295.20468	3.3
297.18564	4.1
307.20520	3.6
317.19052	4.6
335.20071	4.1
345.25607	2.9
373.25266	21.7
379.16724	2.8
391.26236	100.0
391.35925	4.1
392.26285	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	391.2117
Annotation	17-Acetoxyisogutiesolbriolide
Peak:m/z	Relative Intensity
55.05527	11.1
57.07076	6.6
64.00748	4.2
67.05512	27.0
69.07059	7.6
71.08633	6.1
71.12037	11.0
72.44334	4.5
79.05507	27.9
81.07049	31.2
83.08654	5.7
91.05491	39.2
93.07056	35.7
95.04970	7.4
95.08611	43.4
95.93818	4.6
97.06512	11.5
97.10207	4.9
97.82808	4.7
105.07046	55.2
107.08593	40.7
109.06551	5.2
109.10162	13.8
111.04417	6.7
112.12228	4.5
115.05478	5.3
117.07018	16.6
119.08575	38.1
121.02834	12.0
121.06537	8.6
121.10137	15.0
125.09621	6.8
129.06987	9.4
131.08585	42.9
133.10152	42.8
135.11714	10.7
141.06914	8.1
143.08578	15.9
145.06493	5.8
145.10136	35.7
147.11707	53.5
149.02368	53.6
149.13243	5.3
151.07533	6.3
151.11127	6.5
155.08566	13.5
157.10123	16.6
159.11713	15.2
161.05939	5.6
161.09619	5.5
161.13226	7.7
169.10135	22.3
171.11723	14.1
173.09662	7.8
173.13344	6.7
177.09126	5.1
183.02916	11.4
183.11697	22.4
185.13251	6.4
193.12231	15.5
195.11653	6.0
197.13278	16.3
199.14864	5.6
203.10718	5.4
205.12122	5.2
207.11772	7.1
211.14885	11.0
229.12141	5.7
239.17969	84.7
243.13838	6.2
245.04338	7.1
249.16458	19.5
257.15488	7.4
257.18997	11.4
267.17499	33.7
273.03976	5.9
285.18469	100.0
295.16891	14.7
303.19577	24.7
313.18054	28.5
327.19662	13.2
331.08191	9.4
331.19162	28.3
333.05927	5.0
345.20636	49.4
349.20114	68.4
359.07581	55.1
373.20029	9.9
391.10452	13.9
391.21112	25.1
391.26242	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	391.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.01860	2.9
55.05523	15.0
57.07064	7.2
59.04991	3.8
60.37754	2.2
65.03927	2.6
67.05515	18.5
69.03422	5.3
69.07068	12.6
69.67632	9.4
69.68042	4.4
69.95033	1.9
70.06577	2.1
70.38378	2.0
71.04965	2.2
71.08643	3.1
79.05496	28.0
81.03419	2.8
81.07059	46.9
83.04961	6.6
83.08618	5.1
85.06548	2.6
86.29163	2.2
91.05478	36.8
93.07044	46.4
93.83815	2.0
95.04964	43.7
95.08604	23.5
97.06531	5.1
103.05489	5.4
105.06319	3.5
105.07032	70.5
107.05008	2.4
107.08595	26.3
109.06510	11.7
109.10178	11.3
111.08048	2.2
115.05458	4.5
117.07005	19.1
119.08588	56.2
121.02906	2.3
121.06484	11.4
121.10134	25.6
123.08112	6.0
123.11671	3.9
128.06224	10.0
129.06998	18.5
130.07785	11.3
131.08571	25.8
133.06505	3.9
133.10133	23.5
135.08041	9.0
135.11696	3.3
141.06998	8.6
142.07780	20.7
143.08568	31.6
144.09335	8.7
145.10133	51.4
147.08084	7.7
147.11688	12.2
149.02298	10.5
149.09627	6.6
150.19814	2.1
153.06998	4.2
154.07738	3.3
155.08563	14.5
156.09348	16.0
157.10129	38.0
159.08087	6.3
159.11690	19.6
161.09653	8.4
163.11153	3.2
165.06999	9.3
166.07787	4.6
167.08553	8.1
168.09303	6.6
169.10130	26.0
170.10887	7.4
171.08154	3.6
171.11685	23.7
173.09631	9.6
173.13300	17.4
173.14627	3.0
175.11221	4.3
178.07851	3.5
179.08571	16.0
180.09406	6.9
181.10149	17.9
182.10950	8.1
183.11717	19.3
184.12418	4.0
185.09645	5.8
185.13191	10.4
187.11223	5.5
187.14851	4.6
191.08540	4.7
191.14313	6.3
192.09392	6.0
193.10106	18.8
194.10931	12.0
195.08095	2.7
195.11684	20.6
196.12433	6.3
197.09540	4.1
197.13234	18.5
199.11230	8.5
199.14809	8.0
201.12813	4.4
203.08678	4.3
205.10089	5.9
206.10921	10.1
207.11688	24.6
208.12512	7.5
209.09689	3.2
209.13258	19.9
210.14079	3.8
211.11192	6.5
211.14760	12.3
213.12851	5.5
217.10098	6.0
219.11740	10.4
220.12425	7.0
221.13202	13.5
222.14055	6.0
223.11201	4.6
223.14806	12.7
225.12749	2.8
225.16331	5.5
227.14334	5.0
229.10080	3.0
230.10889	4.7
231.11661	5.2
232.12555	4.5
233.13232	11.0
233.15286	4.5
234.14011	8.1
235.14807	11.9
237.16452	7.5
238.17329	3.1
239.14337	5.1
243.11697	3.8
244.12555	4.1
245.03183	2.1
245.13196	4.5
246.14044	4.0
247.14868	7.4
248.15581	4.3
249.16356	17.5
251.14345	4.0
251.18063	4.7
253.15971	3.8
257.19003	3.0
259.14764	3.7
260.15649	2.9
261.16473	7.1
263.17999	9.3
266.16705	2.2
267.17413	5.1
269.19037	3.4
273.16214	3.5
275.18094	2.9
277.19504	3.1
279.17416	4.5
281.19031	4.1
282.19788	11.4
289.19617	4.2
291.17386	3.8
293.18997	2.7
295.20651	6.3
297.18698	5.0
307.20761	3.0
315.21445	2.5
317.19193	7.6
335.20126	7.5
355.24420	3.0
367.88562	2.5
373.25226	24.2
391.26367	100.0
391.36191	9.5
392.26575	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.7
55.01868	7.8
55.05512	83.3
59.04995	4.7
63.32538	2.7
65.03935	3.1
67.05500	9.2
69.03417	4.6
69.53272	2.4
70.05397	9.9
71.04976	3.9
76.99363	2.7
79.05480	18.7
81.03401	5.2
81.07043	7.2
81.29404	2.4
83.04982	100.0
85.06542	7.3
91.05480	22.5
93.07030	3.1
95.04976	13.2
97.06570	3.0
97.10884	2.9
98.21394	3.8
99.04407	3.3
103.05443	4.3
105.07042	11.7
107.04951	10.6
107.08589	3.8
109.02894	3.5
109.06522	6.5
111.04448	4.8
111.08095	22.5
115.05479	11.5
117.03378	3.6
117.06989	8.6
119.04919	6.3
119.08616	4.9
121.06522	10.3
123.08079	3.8
125.06064	3.4
128.06212	21.8
129.07008	19.9
131.04916	6.2
131.08585	7.9
133.06454	5.4
135.04443	4.6
135.08063	11.5
141.07018	20.5
142.07776	20.9
143.08563	15.9
145.06529	14.0
146.23938	3.0
147.08054	18.1
149.02336	6.3
149.05986	4.1
151.07500	2.5
152.06235	18.4
153.07010	11.8
154.07765	13.1
155.04861	3.6
155.08565	10.1
157.06503	10.1
157.10124	11.4
158.07263	3.2
159.08055	14.2
161.06006	4.7
161.09665	3.5
163.03906	3.6
163.07538	5.5
165.05771	3.2
165.06963	15.6
167.08565	30.0
168.05711	3.2
169.06461	11.9
169.10172	8.1
170.07286	5.3
171.08076	20.6
173.09639	4.1
175.07567	4.5
177.09082	5.8
179.08549	4.8
181.06503	6.1
182.07298	3.4
183.08070	6.2
184.08868	7.1
185.06134	4.1
185.09616	30.3
187.07504	12.6
187.11200	3.5
189.09039	3.7
191.06964	3.8
195.08061	36.9
196.08797	3.5
196.36559	2.7
197.06018	4.0
197.09651	8.5
199.07515	12.2
199.11192	5.6
201.09126	5.1
201.12617	3.3
209.09573	4.5
212.08313	6.2
213.09128	37.4
215.07132	6.3
217.08659	5.0
223.07501	8.7
227.10667	11.9
231.10185	7.9
236.63722	2.6
241.08603	26.4
245.11784	4.3
255.10306	4.9
259.09650	27.0
259.90152	2.4
273.11234	10.1
291.12344	3.8
359.14816	10.1
383.23770	3.3
391.11813	15.4
391.17450	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.6
55.01870	5.6
55.05276	6.1
55.05518	89.5
55.29316	3.2
67.05495	11.1
67.05856	3.1
69.03435	6.0
71.05000	4.6
79.05487	11.0
81.07055	12.2
83.04986	100.0
85.02904	4.8
87.00789	4.0
91.05489	19.7
93.07040	15.9
95.04974	12.3
95.08588	8.7
97.06522	9.8
99.04464	4.3
99.85825	3.9
104.20441	3.5
105.07039	12.6
107.04957	5.5
107.08587	14.3
109.06503	4.8
109.10164	5.7
115.05447	5.4
117.07014	7.2
119.04975	4.6
119.08546	8.5
121.06520	7.9
121.10148	8.0
123.11705	3.9
128.06218	11.9
129.07025	13.4
131.08575	13.1
133.10162	6.2
135.08035	14.6
135.11688	5.8
139.16197	3.7
141.06975	8.7
142.07764	13.9
143.08556	8.8
145.06479	6.4
145.10120	9.8
147.08025	7.1
149.02333	20.1
149.05934	4.0
153.06918	5.6
154.07793	6.0
155.08566	8.7
157.06470	3.8
157.10168	21.8
159.04591	3.7
159.08008	12.8
159.11720	4.4
161.09541	4.2
163.07443	5.2
165.05490	3.7
165.07027	8.7
167.08617	10.0
169.06395	5.9
169.10100	8.8
171.08083	11.9
173.09576	5.6
178.45346	3.7
183.08076	6.4
185.09634	23.8
187.07567	14.9
187.11098	5.2
187.14899	4.2
189.09125	5.4
195.08054	6.8
201.09119	4.7
201.16405	12.5
205.19615	4.7
211.07573	6.4
213.09138	28.3
215.10739	8.2
217.08643	7.0
229.08632	4.9
231.10266	8.1
241.08630	11.3
245.11800	5.6
249.11662	3.8
259.09637	6.0
278.11179	4.4
291.12427	20.7
309.13846	3.6
332.52417	3.4
391.10580	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	389.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	11.5
55.05508	20.2
55.63917	10.6
58.91566	9.4
67.05506	67.0
69.03434	58.1
69.07063	25.1
70.84127	24.7
71.04974	11.9
74.70492	9.8
79.05477	54.6
81.03396	24.5
81.07056	97.4
83.04971	23.7
85.02914	14.7
85.06531	12.4
91.05482	64.0
93.07047	100.0
95.04964	24.1
95.08610	65.7
97.06551	28.4
99.04447	13.1
102.04675	13.0
103.05499	17.5
105.07032	82.3
107.04954	12.9
107.08595	68.8
109.10147	45.4
119.04938	10.8
119.08599	51.8
121.06487	50.7
121.10151	57.4
123.11686	16.2
129.07011	12.8
131.04945	19.9
131.08588	22.8
132.05307	15.0
133.10127	44.8
134.50143	10.2
135.11694	22.1
139.11182	10.8
143.08560	16.3
145.06494	20.8
145.10144	46.6
147.04401	22.3
147.11656	39.6
157.10092	17.7
159.11729	18.5
161.05891	14.1
161.09691	11.8
162.06721	40.5
163.07193	21.9
163.11229	34.4
169.08623	48.0
171.11642	20.1
175.14735	12.3
179.15479	10.4
191.10693	23.1
203.17889	54.3
213.16293	18.1
227.12794	17.1
231.17419	26.4
329.20886	10.9
339.07779	53.6
389.11316	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	391.1025
Annotation	5,3',5'-Trihydroxy-3,6,7,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
55.05516	2.1
57.83504	0.4
58.73820	0.4
63.57306	0.4
66.03315	0.5
69.97059	2.1
71.01369	0.5
79.05519	0.7
81.07056	0.4
83.04983	3.4
84.71607	0.5
85.02869	0.6
91.05495	0.8
93.07045	0.5
97.06524	0.5
99.00812	0.6
105.07050	0.6
107.04962	0.6
111.08099	0.5
119.08629	0.5
124.05235	0.7
128.06181	0.6
135.04460	0.7
135.08104	0.7
137.06004	1.3
141.06981	0.9
142.07768	0.8
147.07954	0.6
149.02380	2.5
149.06012	0.6
151.03926	7.3
151.05099	0.8
154.99794	0.8
155.08591	0.6
157.10098	0.7
159.08032	0.5
161.06009	1.3
163.03932	0.9
164.04608	2.8
167.08549	0.9
171.08134	0.9
178.06320	1.0
182.99336	2.6
185.09610	1.0
187.03780	0.6
189.05530	0.7
201.00267	1.2
206.05902	0.7
213.03973	0.8
213.09152	0.9
216.04309	0.9
217.05002	1.7
227.03424	1.0
231.06543	0.6
234.05292	1.1
241.08600	0.6
244.03784	0.5
245.04543	1.7
255.02960	1.3
259.06021	1.6
262.04810	1.6
270.07135	0.5
272.03250	1.1
273.03952	1.1
275.01956	0.7
276.95264	0.5
286.10812	0.7
287.05490	0.6
288.12314	2.3
290.04239	4.1
300.02612	1.6
301.03381	1.3
303.01395	1.3
305.06580	0.5
311.01706	0.6
314.00452	0.5
315.04971	6.7
318.03723	19.6
327.05035	1.0
328.02081	0.9
329.06558	0.6
331.00827	1.3
333.06079	13.5
340.05685	1.0
341.06616	0.9
343.04492	5.4
346.03235	3.8
357.06064	1.5
358.06812	2.3
359.00287	0.5
360.04688	1.0
361.05548	63.8
362.05850	2.1
375.07266	4.1
376.07898	12.0
391.10239	100.0
392.10480	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2171
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
64.62316	4.1
65.15501	4.3
67.05512	7.9
69.03429	9.3
69.07083	7.6
70.83448	5.3
70.83783	8.2
74.38766	3.6
79.05503	8.4
81.07053	20.5
83.04979	6.3
85.02911	10.4
91.05501	5.7
93.07047	19.4
95.08608	18.8
97.06533	10.6
99.08087	5.6
105.07027	14.7
107.08609	53.7
109.06516	11.6
109.10161	14.4
119.08588	9.6
121.06538	8.9
121.10143	30.7
123.08056	11.7
125.09711	4.5
131.08583	12.1
133.10127	42.1
135.08046	7.3
135.11775	5.9
137.09641	10.2
139.11201	11.0
145.10104	5.4
147.11707	8.4
149.09650	15.6
149.13258	33.7
151.11203	20.0
161.13254	6.4
163.14850	19.4
167.10667	5.2
172.36714	4.5
173.13271	33.1
191.14322	100.0
209.15393	34.6
227.16447	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2173
Annotation	Icariside B5
Peak:m/z	Relative Intensity
50.30231	1.6
53.03928	2.6
54.20803	1.8
55.01861	1.9
55.05503	5.3
58.89622	1.7
58.99578	6.8
64.14079	1.7
67.05501	6.8
69.03431	4.4
69.07062	5.7
70.06576	3.2
71.04302	1.8
71.04987	3.1
76.02232	20.6
79.05499	9.6
81.03418	15.7
81.07048	7.1
83.04988	11.9
83.08624	8.1
85.03992	1.9
86.09731	20.0
91.05479	8.3
93.07033	10.4
95.04965	5.9
95.08595	8.2
97.06538	100.0
100.98249	2.0
103.05468	2.4
105.07055	10.4
107.08603	15.5
109.06518	7.7
109.10185	10.0
111.08099	5.9
115.44817	1.7
116.01653	9.1
119.08601	6.6
121.06497	2.7
121.10143	12.0
123.08038	3.0
123.11744	2.7
123.29209	1.7
131.04935	3.9
131.08589	5.5
133.02855	1.7
133.06514	2.0
133.10120	8.2
137.05986	4.5
144.01173	2.7
147.11679	4.1
149.06013	2.3
149.09619	3.4
149.13286	12.3
151.03947	2.4
151.11171	3.6
157.10126	3.5
161.06099	2.4
162.02219	13.9
163.07541	3.2
163.14793	3.5
167.10675	3.2
169.12244	8.4
173.13095	7.6
175.11134	2.9
179.04872	23.9
189.12408	2.7
191.14310	7.6
193.04927	2.5
193.08777	2.8
193.12257	13.3
209.15314	11.1
211.13310	27.7
227.08127	3.0
227.16389	13.0
237.10246	4.8
241.09706	2.8
265.09763	10.8
267.11276	5.1
269.55225	2.0
283.10910	2.0
293.09198	14.2
295.10806	5.2
315.09869	2.7
321.08594	5.2
339.09778	16.0
371.16211	4.5
389.13379	33.3
389.17969	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	389.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	10.4
58.99598	4.9
67.05489	14.5
69.03429	5.8
69.07085	4.1
69.21784	36.6
76.02236	30.2
79.05483	10.5
81.03420	18.8
81.07051	11.5
83.04993	7.2
83.08606	7.9
85.02902	9.3
86.09718	5.6
91.05482	10.7
93.07049	10.7
95.04953	10.3
97.06536	100.0
105.07045	8.5
107.08606	15.3
109.06500	18.7
109.10123	4.1
111.08070	5.6
116.01659	5.3
121.10135	6.1
127.03952	5.1
131.08536	7.2
133.10110	6.9
144.01241	3.9
149.09666	6.2
149.13216	7.5
151.11195	8.5
157.10048	3.6
162.02242	20.7
169.12256	11.0
173.13301	3.9
175.11183	4.8
179.04895	36.9
181.04950	4.2
191.14246	10.1
193.12268	17.8
209.15370	15.0
211.13315	31.2
227.16496	8.6
249.83318	3.7
265.09915	5.1
277.48883	3.9
293.09235	4.9
305.52625	3.6
339.09811	4.5
371.16409	7.6
389.13406	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	389.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	1.7
67.05497	1.7
70.06595	3.2
70.26826	5.7
71.04955	1.7
72.08163	8.8
82.32613	1.7
84.04497	2.4
84.08163	6.3
85.02908	3.7
86.09708	11.6
92.75188	1.7
93.07092	2.2
102.05597	1.8
103.44392	1.5
114.05566	2.1
129.10287	3.3
133.47340	1.7
137.06070	2.0
172.43423	1.7
193.04962	2.1
318.13696	1.8
389.12125	100.0
389.17807	37.5
390.12393	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	389.1209
Annotation	Artemetin
Peak:m/z	Relative Intensity
53.81524	1.2
61.02931	1.4
67.05516	1.9
67.23647	1.2
69.03439	1.5
69.29251	10.7
70.06585	3.0
72.08152	4.0
74.06091	1.7
81.07055	1.6
84.04500	2.8
84.08138	5.1
84.74459	1.2
85.02913	3.8
86.09710	4.3
91.05487	2.1
97.02925	2.3
98.21536	2.8
98.97573	2.9
107.04960	1.4
127.03979	2.2
129.10246	2.8
131.04919	1.4
136.07669	1.3
137.05984	1.5
141.05542	1.8
149.43271	1.3
149.75380	1.2
184.45665	1.4
193.04985	4.9
210.14211	1.5
213.83789	1.2
243.08817	1.4
327.09705	2.3
386.47961	1.1
389.12146	100.0
389.17746	16.3
390.12289	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	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.9
55.01871	6.9
57.03442	5.0
61.02914	4.7
68.99796	2.4
69.03431	32.2
70.68387	2.5
71.04984	3.7
73.02917	5.6
79.05486	1.9
81.03419	26.7
85.02908	100.0
86.03262	1.4
87.00834	42.0
91.03935	1.4
91.05446	1.9
97.02898	28.6
98.22722	1.1
99.04464	14.5
102.04679	1.7
103.05507	1.7
104.05784	1.4
105.01867	68.7
105.07029	14.1
106.07355	1.7
108.04467	5.1
109.02883	29.8
115.03908	1.3
117.01847	4.0
119.08556	1.2
123.04477	2.4
126.05557	2.3
127.03918	74.2
129.01836	4.4
130.04138	2.4
131.04964	2.5
132.05258	2.2
137.05965	9.4
138.06325	3.7
145.04961	37.6
145.06244	1.8
146.06833	2.0
147.02872	3.7
147.04384	2.9
148.04849	1.5
151.03889	1.3
159.02879	15.2
161.05997	1.9
162.06763	5.4
163.07068	6.2
167.07208	1.9
171.02834	1.2
179.03430	2.1
189.03958	3.4
207.02820	1.8
208.03200	1.1
210.04810	1.6
213.03923	3.0
213.09161	1.8
231.05038	26.9
249.06093	8.1
278.05237	1.2
338.07355	10.6
361.75092	1.2
365.10623	1.2
370.10104	1.4
387.45264	1.3
388.10983	8.9
388.15317	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	388.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
57.03436	7.1
61.88750	1.5
67.05500	2.7
69.03438	54.4
69.29879	14.0
70.06587	1.8
71.01369	2.0
71.05005	10.0
73.02940	2.2
81.02991	2.5
81.03426	34.8
83.01342	4.1
83.54437	1.6
84.08143	2.1
85.02914	56.1
87.00838	31.0
87.04474	3.7
91.05484	2.7
93.07082	2.3
95.04998	2.1
97.02900	84.7
99.04462	30.2
105.01884	20.6
105.07053	13.6
106.07383	1.6
107.08584	1.5
109.02877	11.5
115.03921	2.7
117.07051	1.6
127.03927	100.0
137.05984	10.9
137.15176	1.6
138.06314	8.2
145.04973	68.9
147.68042	1.4
151.03960	2.5
153.16306	1.5
181.05077	2.3
182.05293	2.1
213.03926	2.8
231.05017	57.7
249.06105	21.8
358.13562	2.4
370.13651	1.8
388.14911	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	3.8
55.05515	7.3
57.03442	32.7
57.07085	19.3
60.61614	3.6
67.05524	14.8
69.07064	12.0
71.08627	14.3
75.04492	28.9
79.05473	7.1
81.07064	23.1
83.08626	10.4
85.06543	3.6
85.07676	100.0
85.10195	7.5
87.04467	4.2
91.05482	8.9
93.07074	7.6
95.04962	4.1
95.08632	20.4
97.10184	5.3
105.07037	10.1
107.08607	8.8
109.10173	13.9
117.07027	7.3
119.08578	8.8
121.10143	8.7
123.11707	4.8
131.07057	10.4
131.08585	10.3
133.10182	6.2
135.11681	5.2
137.13226	3.9
145.10112	6.4
157.10117	7.2
159.11678	5.3
171.11665	4.0
175.73590	3.3
185.13281	5.6
197.09541	3.4
239.23763	5.8
311.61063	3.3
312.93610	3.2
351.23172	4.6
369.24026	15.1
387.25546	40.1
388.25504	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	387.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
55.39889	0.2
56.05049	0.4
59.81084	0.3
60.83706	0.3
64.20547	0.3
67.05499	0.5
69.07065	0.5
69.28297	2.3
71.05000	0.2
72.04523	0.6
72.09944	0.2
74.06069	0.6
79.05484	0.9
81.07059	1.2
88.07621	0.2
91.05481	0.7
93.07072	1.6
94.06574	0.7
95.08611	1.5
96.08147	1.9
97.06548	0.3
98.21470	0.5
99.05569	0.9
105.07055	2.1
107.08592	1.7
108.08090	0.3
109.06493	0.3
109.10148	1.4
110.09671	0.9
113.07160	0.7
114.09168	0.6
114.94861	0.2
117.13168	0.2
117.48386	0.2
119.08595	0.9
120.08112	0.3
121.10167	1.4
122.09697	0.3
126.09190	1.6
127.09892	0.8
128.10724	0.3
131.08572	1.0
133.07649	0.4
133.10172	1.2
135.11722	0.6
138.08147	0.5
138.09152	7.2
145.10153	1.5
147.11694	1.1
149.13242	0.3
151.08667	0.6
152.10713	0.9
157.10185	0.4
159.11694	0.8
161.13278	0.7
171.11742	0.3
173.13283	0.3
179.11768	0.6
187.14848	1.0
199.14928	0.4
246.12100	0.4
253.19524	0.4
270.22089	0.4
280.20663	1.0
312.10120	0.2
314.24899	0.4
316.26398	1.0
328.48654	0.3
360.25360	8.7
361.26135	0.4
387.26447	100.0
388.26785	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	387.2505
Annotation	Bufalin
Peak:m/z	Relative Intensity
59.63398	0.5
64.27986	0.5
65.49084	0.6
67.05498	1.5
69.07072	0.9
70.60476	1.2
70.60808	1.1
79.05526	1.0
81.07062	1.5
82.97590	0.5
86.34190	0.6
91.05489	1.0
93.07049	1.7
97.06512	0.6
105.07030	0.9
109.10178	0.7
133.10176	0.8
195.92581	0.6
276.54871	0.7
327.22983	18.2
341.17581	0.5
351.03152	0.6
387.25095	100.0
388.25577	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	387.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	6.7
55.05515	21.2
56.89804	3.6
57.03421	6.8
57.07060	10.5
59.04996	8.1
67.05510	28.3
69.03426	11.2
69.07079	16.9
70.06582	7.8
70.13258	13.3
71.04977	8.4
77.42899	3.5
79.05498	29.8
81.03415	7.2
81.07059	42.9
83.04988	12.4
83.08620	5.9
91.05489	47.4
93.07048	56.0
95.04958	14.1
95.08615	38.5
97.06543	27.8
97.10144	4.0
105.07043	93.7
107.05005	3.6
107.08608	45.1
109.06512	13.5
109.10145	11.6
111.08057	3.8
115.05445	5.4
115.08683	5.5
117.07027	17.2
119.04986	3.6
119.06078	3.5
119.07810	5.4
119.08594	69.5
121.06483	13.4
121.10143	21.8
123.08091	45.0
123.11723	3.5
128.06204	10.1
129.06982	10.9
130.07806	8.3
131.08586	50.7
133.06490	9.7
133.10149	50.4
135.08060	20.2
135.11684	14.9
137.05960	7.8
137.09618	10.1
139.07561	38.4
141.06985	3.8
142.07802	9.8
143.08524	23.5
145.09068	5.2
145.10139	58.1
147.08063	27.6
147.11641	19.9
149.09633	21.2
151.07558	72.2
155.08549	8.7
156.09383	17.8
157.06567	4.3
157.10162	19.5
159.08105	10.6
159.11705	19.4
160.08830	4.8
161.09619	32.0
161.13298	25.1
163.11195	14.0
165.09145	36.5
167.08484	3.5
169.10103	9.9
171.08011	4.8
171.11726	18.0
173.09648	12.2
173.13283	10.8
175.11212	6.4
175.14867	4.1
176.56551	3.5
177.09053	10.9
179.10689	13.6
183.11710	9.8
184.07364	4.2
185.09631	8.9
185.13322	7.5
187.11171	7.5
189.12749	32.6
195.11775	4.7
197.13280	9.9
199.11189	6.2
199.14757	5.0
201.12923	4.0
203.10646	6.3
203.14255	18.5
207.13795	24.3
211.14857	4.8
213.12749	8.1
217.12209	11.3
221.13736	3.5
221.15375	83.0
223.14841	4.1
233.15387	5.9
243.13698	6.4
247.13258	6.2
253.19551	15.2
271.20505	5.7
274.19257	4.3
287.20081	5.4
299.19962	13.5
307.18924	21.5
312.32181	4.0
317.21133	4.3
323.23376	4.1
351.22964	5.7
355.15530	5.0
369.24243	25.1
377.09363	3.6
387.25381	100.0
388.24899	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	387.2013
Annotation	Macarangioside D
Peak:m/z	Relative Intensity
52.56520	8.8
60.60793	10.2
68.20707	8.5
70.66203	17.4
79.05510	11.8
85.02913	21.2
85.06525	18.6
91.05482	18.3
93.07024	22.9
95.08597	12.2
105.07021	29.7
107.08585	94.2
109.06528	22.4
109.10197	10.2
119.08579	36.2
121.06506	16.0
121.10140	38.5
131.08601	15.4
133.10143	12.1
137.09633	56.6
147.11687	53.8
149.09656	50.5
149.13304	11.7
159.11664	15.7
161.13232	42.2
167.10692	100.0
171.11693	19.5
172.47937	8.9
177.12746	60.7
189.12743	97.2
207.13823	87.8
225.14847	76.7
414.98987	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	387.2014
Annotation	Macarangioside D
Peak:m/z	Relative Intensity
52.62340	8.6
56.33824	8.7
58.90141	8.0
60.11634	8.6
69.03424	10.2
70.48541	19.2
70.48896	16.9
79.01393	9.5
79.05486	12.1
81.07034	17.4
85.02934	12.3
85.06560	12.6
87.92454	9.1
91.05499	11.6
93.07030	31.5
105.07043	26.4
107.08603	73.0
109.06520	11.8
109.10190	11.1
119.08577	16.9
121.06522	17.0
121.10158	33.3
137.09641	60.4
147.11673	41.8
149.09642	48.0
149.13260	17.5
161.13252	49.0
167.10670	100.0
171.11725	19.9
177.12782	59.7
189.12762	86.1
207.13803	81.0
225.14883	74.9
239.45161	9.1
281.21512	10.0
325.65283	9.5
336.18799	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	387.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.5
53.03943	1.2
64.20702	0.2
67.05508	0.5
69.03447	0.5
69.07042	0.3
70.28825	0.9
77.03953	0.3
79.05499	5.0
81.03416	1.2
81.07067	0.6
81.30793	0.2
83.04966	0.3
91.05492	0.8
93.07069	0.8
95.04977	0.9
97.06534	0.6
103.05480	3.1
105.07040	100.0
106.07362	1.0
119.04935	1.2
121.06481	0.4
125.10703	0.3
145.41946	0.3
163.03908	0.4
173.02351	0.4
173.09586	0.4
175.07626	0.3
178.23595	0.3
187.03976	0.3
203.10768	0.3
213.05560	0.3
247.13390	0.3
267.13858	0.4
369.20575	0.3
387.21570	1.0
404.14725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1441
Annotation	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
Peak:m/z	Relative Intensity
53.03941	0.5
55.01864	0.4
65.03935	1.1
66.04720	0.4
67.05499	1.1
69.03431	1.0
69.07071	0.5
71.40176	0.5
72.08157	0.7
79.05495	1.2
81.03403	0.4
81.07053	0.9
82.04198	0.4
85.02914	1.3
86.09714	0.4
91.05490	1.5
93.03416	0.5
93.07014	0.3
94.04204	3.4
95.04981	0.5
95.08603	0.2
97.02918	0.3
97.06552	0.5
99.08137	0.3
103.05469	0.5
105.07033	0.8
107.04953	1.1
107.08591	0.6
108.02087	0.3
109.06512	0.4
110.03658	0.4
111.04487	0.4
115.05473	1.6
117.07026	1.8
119.08578	0.5
121.02922	0.4
121.10146	0.6
122.03659	8.9
123.04424	0.7
123.08054	0.6
124.05206	0.4
125.05985	0.4
127.00246	0.3
127.05408	0.4
131.04964	0.3
131.08603	0.4
135.08093	0.3
135.11691	0.3
137.05988	100.0
137.56839	0.2
138.06358	0.7
142.02695	0.4
143.04924	3.0
143.08571	0.3
145.04994	0.3
145.06490	2.3
147.08081	0.4
151.03954	3.1
151.05043	0.4
151.07549	0.5
153.05507	0.9
155.06065	0.8
161.06033	0.7
161.09583	0.3
162.03688	0.3
163.11194	0.6
167.07059	8.3
171.06543	0.4
173.05988	2.6
175.07550	1.1
181.04965	12.9
181.12158	0.3
187.07471	0.3
189.12790	0.4
191.07053	0.4
203.07056	1.9
205.08623	1.9
207.06610	0.3
207.13852	1.8
221.08063	0.3
225.14931	0.7
233.08052	1.2
235.09567	1.6
247.13249	0.3
309.11444	0.3
342.04544	0.3
357.13336	12.3
358.13837	0.4
369.13113	0.3
387.14429	23.1
388.14618	0.8
389.45831	0.2
406.48129	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1076
Annotation	Cleomiscosin A
Peak:m/z	Relative Intensity
53.03942	2.3
55.01876	2.4
56.10322	1.2
63.99292	1.1
67.05505	1.3
68.99767	1.7
69.03457	1.3
69.28187	9.0
69.28583	2.3
71.77484	1.1
77.03942	2.4
79.05495	3.4
79.12820	1.3
80.25438	1.1
81.03426	2.3
82.09847	1.0
85.02895	3.6
87.00819	1.8
89.03936	1.8
90.81612	1.0
91.05473	12.4
93.03397	1.2
95.04969	16.5
97.02937	1.4
102.04688	23.6
103.05476	19.9
105.01833	2.5
105.03425	3.9
105.07044	8.6
107.04938	6.5
109.02917	2.0
114.05049	1.2
115.05444	4.6
117.07027	4.4
119.04950	14.4
120.02050	2.4
121.06519	5.3
122.03646	1.6
123.04428	17.1
124.05189	4.1
127.03927	2.4
130.04153	39.0
130.05121	2.4
131.04938	75.0
132.05695	2.0
133.02850	9.2
133.06474	7.4
134.03619	1.9
135.04407	14.2
137.05984	15.0
145.04912	1.1
145.05151	1.1
145.06499	28.9
146.03625	4.1
147.00766	3.1
147.04419	52.3
148.01515	7.2
148.05124	2.4
149.02339	7.6
149.06006	6.4
150.06773	21.4
151.03934	4.1
151.07544	3.0
153.05405	1.8
155.06070	2.2
161.02348	8.7
161.03523	1.3
161.04796	2.2
161.05991	22.5
162.06770	100.0
163.03928	14.7
163.07549	11.4
165.01849	1.4
165.06964	2.9
166.02713	1.6
167.07144	1.5
176.04648	1.1
179.03395	24.8
179.07076	1.3
180.07820	3.4
181.04977	3.6
191.03384	1.9
192.04274	2.1
193.04933	2.6
193.06523	1.6
194.02142	4.0
205.04976	1.8
207.02899	43.9
208.03575	2.6
209.04439	25.4
209.06224	2.1
210.06778	2.3
218.02121	2.1
219.02994	2.8
221.04160	1.9
221.06143	9.1
222.06767	1.9
229.04970	3.9
233.04474	4.9
238.06290	3.7
245.04550	3.1
248.04654	1.3
249.05547	10.0
250.06186	4.3
253.08621	2.4
263.05469	10.5
266.05841	5.5
277.02075	1.2
277.04980	5.1
281.08337	2.9
294.05215	2.3
309.07651	4.1
322.04950	1.6
337.07083	80.6
338.07651	1.7
339.62228	1.2
357.09750	6.2
369.09671	12.2
387.10760	71.0
388.11469	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.144
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
53.03927	0.7
54.43846	0.5
55.01885	1.1
62.66452	0.5
65.03947	2.8
66.04725	0.5
67.05495	0.7
69.03444	0.8
69.67652	1.7
69.68060	0.8
79.05491	1.4
81.03415	0.6
81.07069	0.7
82.04204	0.6
83.54016	0.5
85.02897	1.8
87.92213	0.4
91.05490	2.7
93.03377	1.0
93.07062	0.6
94.04187	3.1
97.02940	0.5
97.06531	1.4
98.21492	0.9
103.05460	4.6
105.03398	0.5
105.07051	0.9
107.04964	2.0
108.02061	0.5
110.03682	0.7
115.05505	2.5
117.07037	2.5
118.04136	1.2
118.18954	0.5
119.08588	0.6
122.03658	8.6
123.04504	0.6
124.63512	0.5
125.06013	1.1
130.04178	0.6
131.04926	3.6
133.06506	1.3
137.05986	100.0
138.03171	0.6
138.06349	1.4
142.02725	0.6
143.04915	3.0
144.05708	0.5
145.06468	2.3
147.04427	0.6
148.05211	2.4
151.03917	12.0
151.05029	1.0
153.05469	1.1
155.06035	1.0
161.05939	0.7
161.09602	0.7
162.06789	0.9
163.07570	4.5
167.07050	9.3
171.06523	0.9
173.05951	2.9
175.07539	1.4
181.04964	27.7
182.57700	0.5
191.07047	11.5
203.07062	2.0
205.08594	2.3
233.08090	1.1
235.09695	2.1
237.09111	0.6
337.10883	0.8
351.12408	1.5
355.11948	1.0
357.13348	10.0
369.13596	1.5
376.54575	0.5
387.14447	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	387.144
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03933	0.5
55.01871	1.4
55.05500	0.4
63.03337	0.4
65.03922	2.4
67.05501	1.3
69.03419	2.0
69.68217	2.3
70.97655	0.4
77.03930	0.6
79.05501	1.6
81.03409	1.6
81.07044	0.9
81.78197	0.4
82.04179	0.6
83.08601	0.6
85.02903	2.4
87.00840	0.7
91.05492	2.1
92.06221	0.4
92.24682	0.4
94.04194	3.1
95.04972	1.1
97.06531	1.2
99.04452	0.6
103.05470	6.1
105.03404	0.7
105.07047	1.3
107.04948	1.3
108.02108	0.8
109.02878	1.1
109.06519	0.6
110.03665	0.7
111.04406	0.5
115.05463	2.2
117.07008	2.7
118.04162	1.1
119.04973	0.6
119.08576	0.5
121.06456	0.5
122.03651	9.3
122.04488	0.8
123.04442	0.9
125.05981	1.0
127.03936	2.0
130.04131	0.6
131.04935	4.8
133.02904	1.0
133.06506	0.8
135.04414	0.6
136.07578	0.8
137.05980	100.0
138.06322	1.3
142.02560	0.8
143.04918	2.7
144.05666	0.5
145.06462	2.6
148.05194	2.7
149.06010	0.6
151.03914	16.7
151.05017	1.4
153.05478	0.8
155.06042	1.0
161.05974	0.8
162.06769	0.5
163.03850	0.5
163.07564	5.2
165.05507	0.5
167.07056	9.8
171.06613	0.6
173.05960	3.2
175.07602	1.2
176.04747	0.9
179.07101	0.7
181.04955	24.5
187.07509	0.6
191.07031	15.7
193.08604	0.5
195.06554	0.6
197.06142	0.4
203.07074	2.0
205.08574	2.4
209.08153	1.0
209.14330	0.4
213.03792	0.6
233.08150	1.6
235.09706	2.1
327.12216	0.7
337.07327	0.6
351.12228	1.2
355.11884	1.3
357.13333	11.2
369.13361	0.8
387.14404	25.7
388.14548	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54920	0.7
51.02371	0.9
53.03951	1.4
54.41588	0.7
57.92688	0.8
62.36323	0.9
64.72515	0.8
65.03934	1.9
68.99780	1.6
69.38857	3.7
69.39285	2.4
77.03925	3.4
79.05503	2.1
81.07075	1.4
82.46432	0.7
89.03944	0.8
89.40961	0.7
91.05495	8.7
92.02637	1.0
93.07056	0.8
95.04971	10.1
97.06522	1.7
102.04688	26.7
103.05480	17.2
105.03382	2.2
105.07024	8.0
107.04945	5.3
109.02917	0.9
111.62947	0.8
115.05471	5.7
117.06985	4.3
119.04967	12.9
120.02081	2.1
121.02863	2.6
121.06503	3.1
123.04444	9.6
124.05194	2.4
130.04152	38.7
131.04938	66.9
132.05745	1.7
133.02838	6.1
133.06505	7.1
135.04420	8.6
137.05981	11.5
137.23564	0.7
144.05695	1.0
145.06499	26.9
146.03619	4.1
147.00816	1.8
147.04419	51.7
148.01564	4.9
148.05191	2.4
149.02348	3.2
149.06001	5.5
150.06772	11.0
151.03886	3.8
151.07576	2.4
153.05421	0.8
155.06058	3.0
161.02335	5.3
161.05998	22.8
162.06772	100.0
163.03912	10.1
163.07549	10.6
165.01837	1.3
165.06976	2.5
167.64902	0.7
179.03398	16.0
179.07028	1.5
180.07886	2.4
181.04973	1.6
181.06535	1.8
186.56973	0.8
187.03935	1.4
191.03436	1.6
192.04187	1.1
193.04889	1.1
193.06540	1.9
194.02136	1.4
194.07254	1.1
201.05580	1.0
204.04153	1.3
207.02893	27.3
208.03445	1.1
209.04449	12.4
209.06187	1.2
210.06770	2.1
220.05205	0.8
221.06024	11.1
222.06744	2.5
229.05023	3.3
237.05438	1.8
238.06250	3.7
238.14998	0.8
249.05505	9.7
250.06258	4.5
253.08617	1.9
263.05197	1.3
265.05069	1.2
266.05789	5.8
276.04239	1.0
277.04984	5.3
278.05634	1.2
281.08160	2.5
294.05182	3.4
309.07596	3.4
313.72672	0.8
322.04749	1.9
325.07300	1.2
337.07080	84.6
338.07428	2.2
357.09778	5.4
369.09644	10.1
387.10626	20.8
388.11142	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1077
Annotation	Cleomiscosin A
Peak:m/z	Relative Intensity
51.02372	1.0
53.03944	1.6
65.03937	1.9
68.99802	1.3
69.79964	5.3
71.05959	0.8
77.03918	2.3
79.05490	3.5
81.07036	1.8
89.03926	2.3
91.05476	10.0
93.07047	3.6
95.04978	9.8
97.06548	2.5
102.04691	5.4
103.05478	11.8
105.03371	2.1
105.07037	2.8
107.04955	6.4
109.02927	1.1
109.06506	1.1
110.03657	1.4
111.04434	1.6
117.03386	1.8
119.04954	9.8
120.02061	1.7
121.02873	1.9
121.06526	4.9
122.03612	2.0
123.04430	12.7
124.05186	3.2
130.04163	7.8
131.04938	29.1
133.02838	5.9
133.06541	1.6
134.03656	1.8
135.04433	12.3
136.05164	1.2
137.05992	29.1
139.22267	1.0
143.08516	1.1
145.06474	4.0
146.03627	1.5
147.00777	3.0
147.04433	15.9
148.01546	3.6
148.05203	1.8
149.02342	6.8
149.05983	6.2
150.06769	15.2
151.03908	5.0
151.07536	3.0
152.08298	1.2
153.05414	1.1
155.06082	1.1
161.02374	7.7
161.06010	3.3
162.03093	2.5
162.06773	10.6
163.03894	9.6
163.07553	6.1
164.04793	1.0
165.01888	2.2
165.05415	1.1
166.02667	1.0
167.07101	1.6
168.12666	1.1
175.03940	1.1
177.25888	1.0
178.02606	1.4
179.03409	24.8
179.07069	2.1
180.07797	2.1
180.42516	0.9
181.04961	5.2
189.05363	1.0
190.02541	1.8
192.04160	1.1
193.04974	3.9
194.02097	4.1
205.04991	2.5
207.02908	33.4
208.03583	1.4
209.04488	18.8
218.02078	3.5
219.02908	3.7
221.04344	4.3
223.05991	1.1
233.04465	8.1
237.18391	0.9
245.04433	4.6
250.06329	1.0
263.02921	1.7
263.05530	22.9
266.72742	0.9
269.58588	1.1
284.11145	1.8
294.04819	1.1
337.07120	7.8
357.09534	1.9
357.13474	1.3
369.09705	3.8
387.10712	100.0
388.11090	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	386.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61784	0.8
55.01855	1.6
55.05499	4.0
57.03402	1.0
57.07063	1.1
58.06604	4.8
60.04274	1.0
60.04533	15.5
65.35313	0.8
67.05511	6.8
69.03423	1.4
69.07077	8.2
69.98219	4.0
70.06577	1.0
71.04990	2.3
72.08185	1.0
79.05487	4.9
81.07060	5.7
83.04987	1.0
83.08594	2.0
84.08149	6.5
91.05490	4.4
93.07036	3.6
95.08600	1.6
97.06517	3.5
98.09676	7.6
98.20777	1.0
105.07018	3.8
107.08596	5.2
109.10156	5.1
117.07019	1.8
119.04948	3.8
119.08577	2.9
121.06501	3.1
121.10114	1.6
126.12787	1.8
127.11189	3.9
128.06177	1.2
129.06996	1.7
130.07767	1.0
131.08540	2.4
133.06519	1.6
133.10106	1.0
135.08041	2.5
142.07771	1.8
143.08572	2.9
145.06485	2.3
145.10133	2.4
147.08043	3.9
149.05960	2.4
149.09619	1.1
155.08504	1.9
156.09407	1.2
157.06480	1.3
157.10091	3.0
158.07280	1.2
159.08041	4.0
159.11681	1.2
160.08836	1.1
161.05981	3.5
161.09630	3.4
163.03912	1.4
163.07535	2.5
165.06976	1.6
169.10162	7.0
171.08046	2.1
171.11772	1.5
172.08778	1.0
173.06020	1.4
173.09619	5.5
174.06783	2.1
175.07552	4.9
175.11055	1.3
176.08313	3.2
177.05463	2.8
177.09079	2.3
179.08571	1.2
181.10046	1.0
183.11711	2.5
183.48120	0.8
184.08788	1.2
185.06032	1.1
185.09680	3.5
187.07553	18.9
187.11206	3.5
188.08333	5.8
189.05463	1.0
189.09097	10.1
195.08098	1.0
196.08791	1.9
197.09657	4.5
197.13257	1.3
198.06689	1.6
199.07555	2.6
199.11163	3.9
200.08347	2.3
201.09126	5.7
201.12813	2.0
202.09789	1.2
203.06998	4.2
203.10721	3.9
204.10312	1.1
207.11667	1.5
209.09575	1.8
210.10371	2.0
211.07640	1.7
211.11153	3.1
211.14729	1.5
212.08261	1.1
212.11807	1.2
213.09055	4.2
213.12714	2.2
214.09732	1.1
215.07043	2.5
215.10648	16.9
217.08684	1.8
217.12251	2.8
219.10176	1.0
221.13268	1.3
222.10289	1.1
223.11250	1.4
223.55402	0.8
224.12047	1.6
225.09064	2.3
225.12735	3.0
226.09978	1.6
227.10667	4.5
227.14320	1.0
228.11519	1.3
229.08607	2.9
229.12233	7.4
230.13020	15.1
231.10165	1.8
231.13748	1.6
233.11783	2.4
237.12810	1.2
238.09840	0.9
239.10696	1.6
239.14352	5.4
241.12215	3.1
243.10216	2.1
243.13881	5.1
245.11755	20.1
247.13318	2.5
252.11571	1.0
252.14943	1.0
253.12286	2.0
254.12900	1.4
255.13892	3.2
257.11664	4.2
259.13290	1.5
267.13748	4.4
271.13300	11.4
272.13937	3.2
273.14828	5.2
281.19110	1.9
283.16953	1.5
284.13919	1.0
285.14954	4.7
285.17957	1.1
295.61899	1.0
298.21674	1.0
299.20062	1.0
309.18475	4.5
327.19568	16.0
344.22195	13.5
386.23267	100.0
387.23117	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	385.2374
Annotation	Mutisicoumaranone D
Peak:m/z	Relative Intensity
53.03938	4.9
55.01853	4.3
55.05494	13.4
55.14925	3.2
57.03447	3.6
57.07064	7.0
59.04995	7.4
61.02944	4.1
65.03922	3.9
67.05521	16.1
69.03411	8.5
69.07104	3.2
79.05502	18.4
81.07059	21.1
83.04957	3.9
83.08606	12.0
85.06534	8.3
91.05493	25.7
93.07037	33.3
95.04995	15.2
95.08612	28.9
97.06506	15.2
99.04453	3.8
103.05498	5.0
103.93844	3.1
105.06398	4.2
105.07035	41.5
107.08594	50.0
108.75500	3.0
109.06518	16.6
109.10165	6.3
111.04430	6.9
111.08101	16.1
113.09621	4.0
115.05456	7.3
117.07004	15.7
119.08590	42.3
121.06490	11.4
121.10110	16.0
123.08073	48.8
125.09616	7.1
128.06223	6.6
129.06990	14.1
130.07794	9.7
131.08582	43.5
133.06476	9.4
133.10144	19.4
135.08054	19.8
135.11697	29.7
137.05974	26.8
137.09584	5.8
141.07005	3.8
142.07755	4.7
143.08534	15.6
144.09349	13.1
145.06483	5.8
145.10124	57.2
147.08089	16.3
147.11697	9.3
149.09651	17.5
151.07552	91.2
153.09137	5.0
155.08595	6.0
156.09422	4.7
157.10144	14.7
158.07317	4.9
159.08064	25.3
159.11697	53.6
161.09619	13.6
161.13220	4.1
162.10396	6.2
163.11176	35.6
165.09096	10.5
169.10100	7.8
171.11705	10.7
172.08829	5.4
173.09547	5.7
173.13277	5.3
175.11151	9.0
177.09138	24.0
177.12762	33.7
183.11789	6.5
185.13248	5.3
187.11185	30.6
189.12724	20.2
191.14311	4.6
195.11708	6.8
199.11179	6.8
199.14807	3.3
201.12642	4.0
203.14360	8.4
205.10455	5.1
205.12251	59.0
207.13771	10.8
209.15234	5.3
213.12741	7.2
215.14272	5.6
217.12331	6.9
221.15390	13.3
225.12782	4.8
225.16339	4.8
229.12144	4.1
229.30420	4.5
233.15340	8.3
237.16385	4.1
242.50307	3.5
243.13957	3.9
246.16182	7.2
247.16922	5.1
285.18497	3.7
286.19296	20.0
305.17416	4.1
309.18427	3.7
311.16360	3.9
341.14548	3.2
349.21658	3.9
367.22720	17.3
385.23776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.3
55.01886	3.9
55.05503	13.6
57.07072	8.3
59.04997	5.9
67.05503	13.4
69.03432	8.5
69.07066	7.3
71.05005	7.4
79.05508	22.8
81.07069	23.3
82.27646	3.4
83.04996	10.4
83.08624	14.7
84.08155	25.7
85.06532	6.6
91.05489	35.0
93.07051	34.3
93.37508	3.6
95.04966	12.2
95.08634	28.0
97.06563	17.5
99.04453	5.7
105.07049	42.7
107.08613	49.6
109.06516	13.8
109.10117	4.9
111.04432	9.7
111.08112	21.1
113.09694	4.4
115.05482	3.9
117.07024	14.0
119.08585	47.2
121.06487	12.1
121.10139	14.3
122.36269	3.3
123.08099	44.4
125.06006	5.2
125.09573	5.7
128.06190	7.3
129.07022	10.4
130.07803	5.2
131.08568	47.8
133.06508	10.2
133.10094	20.0
135.08052	14.6
135.11720	32.2
137.05086	5.1
137.05966	28.7
137.09602	6.0
142.07791	4.2
143.08591	16.6
144.09375	11.6
145.06500	5.5
145.10141	52.7
147.08043	19.1
147.11652	8.7
149.09651	12.6
151.07567	93.8
152.66483	3.4
153.09113	8.6
155.08733	4.0
155.10713	4.9
156.09367	4.2
157.10181	18.1
159.08057	25.8
159.11710	49.3
161.09612	13.3
161.13254	4.5
162.10423	9.9
163.11201	33.9
165.09120	16.3
169.10153	7.8
171.11711	12.2
172.08820	7.1
173.06081	3.7
173.09628	8.1
173.13264	5.9
175.07565	4.9
177.09201	23.5
177.12801	27.7
181.10181	7.7
183.11745	4.4
185.13242	5.1
187.11195	35.1
189.12752	23.3
190.18077	3.7
191.14301	4.8
197.13292	7.9
205.10411	6.6
205.12270	65.5
207.11632	4.0
207.13721	9.3
209.15352	8.4
215.14589	4.2
217.05023	15.1
217.12222	8.3
221.13310	5.6
221.15410	16.4
223.14810	5.1
229.12320	4.2
233.15390	5.7
233.46581	3.7
241.15955	5.2
246.16145	7.7
271.17038	4.2
286.19357	16.3
311.16357	5.5
324.20911	3.8
329.13763	8.2
367.22678	10.5
385.16379	7.9
385.23734	100.0
385.34433	5.0
386.23837	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	385.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04132	0.5
65.16700	0.5
66.51098	0.5
67.05500	1.4
70.34239	0.6
70.34595	2.1
79.05513	0.9
81.07047	1.2
88.15137	0.5
91.05496	0.8
93.07024	0.9
95.08614	1.0
97.06548	0.6
105.07027	0.7
108.54370	0.5
109.06528	0.6
131.08583	0.7
145.10120	0.7
327.15726	1.2
385.19879	100.0
386.20035	2.8
389.68256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.4
55.05502	6.4
57.03434	4.7
57.07076	15.8
59.04966	3.3
65.03910	3.2
67.05508	17.6
69.03440	31.0
69.07057	14.5
69.87357	13.2
79.05495	15.8
81.03405	8.6
81.07066	100.0
83.04967	4.0
85.02894	10.6
87.00826	11.1
89.00584	3.8
91.05462	8.5
93.07037	13.0
95.04972	6.2
95.08610	80.0
95.83277	3.7
97.02895	11.0
97.06538	8.4
98.21391	4.3
105.01871	5.2
105.07035	16.8
105.35728	3.4
107.04969	5.6
107.08578	14.6
109.02843	4.7
109.06527	4.3
109.10156	13.4
115.03932	8.4
116.98516	4.4
117.06963	4.8
119.08568	13.2
121.06488	7.4
121.10155	13.5
123.08054	5.7
125.05963	3.1
127.03860	7.4
129.07011	5.1
131.08606	6.8
133.10143	7.1
135.11691	8.2
137.09599	13.0
137.13255	97.6
143.00060	5.1
143.08548	4.1
145.10121	9.7
147.08029	5.2
147.11665	14.5
149.02350	8.6
149.09615	4.2
149.13242	5.2
153.01822	6.4
153.12767	3.8
157.10204	4.0
159.02826	4.4
159.11629	3.9
161.09566	4.1
161.13223	6.2
163.11234	4.0
163.88669	3.4
165.12759	9.9
167.14333	11.0
171.11720	4.0
173.13264	4.5
174.98952	3.4
177.12721	3.7
179.07208	3.5
179.14243	8.8
183.11766	3.9
184.92473	3.3
189.00552	8.3
189.12761	11.1
191.14284	4.8
193.04947	6.9
195.13799	11.8
201.03903	5.5
201.12640	4.2
207.13814	4.7
215.10675	3.6
217.12245	7.3
219.13893	4.2
245.15402	10.3
256.44293	3.4
263.16452	14.1
266.97726	3.8
269.07022	4.3
281.17404	4.4
287.07825	4.4
318.02069	3.3
323.18753	5.4
346.96317	4.2
349.16455	12.0
367.17737	9.1
385.09073	7.4
385.13306	5.0
385.14706	5.3
385.19788	54.3
385.24222	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.7
55.01865	8.2
55.05510	26.6
57.03447	8.6
61.01154	5.2
61.02925	6.2
65.03948	4.6
67.05490	18.1
68.99817	6.8
69.03429	62.0
69.07072	9.6
69.46577	36.4
70.06597	63.5
71.04978	15.5
72.08145	19.3
73.02919	5.2
77.97881	4.7
79.05487	18.0
81.03410	18.5
81.07056	16.8
83.04989	50.3
84.04495	5.0
85.02436	8.4
85.02911	100.0
86.09719	26.9
87.04478	9.3
88.59753	4.6
91.05482	24.8
93.07050	38.8
95.04978	24.6
95.08615	39.1
97.02937	23.1
97.06566	32.5
98.20699	5.0
98.97578	10.8
99.04441	14.0
103.03923	8.6
103.05480	5.2
105.07022	25.9
107.08608	30.8
109.02878	15.6
109.06528	30.9
109.10195	11.5
110.07171	5.7
115.05470	4.6
117.07047	12.0
119.08609	45.4
120.08105	5.4
121.06511	18.3
121.10168	26.7
123.08066	49.9
125.05981	18.5
127.03913	15.3
129.05484	8.4
129.06978	10.1
131.04921	6.9
131.08559	15.0
133.06459	6.7
133.10136	13.7
135.08087	38.7
135.11684	5.8
137.06004	14.7
137.09651	36.0
143.08511	6.6
145.05002	8.5
145.10107	29.4
147.08047	25.8
149.06021	6.6
149.09634	5.6
149.13234	6.7
159.11696	47.3
161.05925	6.2
161.09621	15.3
162.05473	4.8
163.07570	14.0
163.11200	49.9
165.09132	42.9
167.07094	15.7
173.09309	27.1
177.09114	5.1
177.12750	36.3
179.10698	12.9
187.11214	16.6
195.10133	9.1
205.12251	75.5
223.09569	8.8
223.13300	83.7
247.13213	7.5
271.59381	4.5
312.75229	4.9
367.17700	14.0
385.14679	46.5
385.18771	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	385.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
53.53325	2.4
55.01862	10.3
55.05503	10.8
59.04988	3.7
59.37233	2.0
61.01145	7.7
64.65669	2.3
67.05513	16.2
69.03415	8.3
69.07061	9.5
69.87027	12.6
71.05001	12.9
71.65559	2.5
76.38458	2.3
77.03921	2.7
79.05501	35.1
81.07063	49.2
83.04970	10.4
85.06541	6.5
86.99046	2.6
87.04485	11.2
89.00615	8.6
91.05491	42.5
93.07051	100.0
93.07642	5.9
95.04966	18.7
95.08613	28.7
97.02926	3.4
97.06531	24.8
97.94651	2.3
98.21485	4.7
99.04443	10.8
105.04531	3.0
105.07038	91.6
107.04947	6.9
107.08608	71.2
109.06501	26.2
109.10151	6.3
111.08070	4.8
113.06011	3.2
115.03938	8.6
117.07050	6.3
119.04982	3.7
119.07806	4.4
119.08591	53.7
121.05684	3.0
121.06514	39.3
121.10138	6.7
123.04381	2.9
123.08051	7.9
123.11713	5.0
125.06012	4.8
127.07536	8.2
128.06230	2.6
129.07016	9.4
131.08563	9.3
133.06491	8.1
133.10133	49.7
134.78416	2.3
135.08066	20.9
137.05972	5.0
139.07538	14.4
141.05536	4.3
141.06953	3.0
142.07753	12.2
143.07307	2.4
143.08511	15.6
145.10136	16.7
147.08060	9.8
147.11693	94.1
149.13255	10.9
151.07530	3.0
153.07036	2.7
153.09193	3.1
155.08568	6.6
156.09344	4.8
157.08720	4.1
157.10123	28.7
161.09653	6.2
161.13275	15.9
163.14859	3.2
165.12773	30.2
166.07733	3.6
169.10098	4.7
171.11699	26.8
173.09642	11.1
173.13275	3.4
175.06027	2.3
175.11201	56.0
181.10112	9.6
183.11630	2.7
187.06012	7.6
189.12744	42.2
191.14331	3.1
193.12251	44.4
197.09587	3.2
199.11180	23.2
207.13884	15.8
211.13303	6.4
217.12241	62.9
235.13342	26.6
241.10727	2.9
246.57861	3.3
253.10840	4.0
253.14320	8.9
267.12338	5.2
297.16937	2.3
298.94003	2.6
303.15842	3.0
307.15387	8.9
308.56976	2.6
310.40192	3.1
321.16919	9.9
325.16425	14.1
333.87921	2.4
349.16373	11.8
385.13092	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	385.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.2
55.01875	5.1
55.05518	8.4
56.51263	2.2
65.03955	2.7
67.05515	18.7
69.03431	9.5
69.07069	11.9
69.52784	14.4
71.04995	9.5
73.27904	2.5
79.05499	27.1
81.07068	49.3
83.04971	9.9
83.08624	3.5
85.02917	3.5
85.06551	9.5
87.04480	9.7
88.08580	2.8
91.05478	29.1
92.79113	2.1
93.07052	58.3
95.04965	12.3
95.08611	25.4
97.02901	3.8
97.06544	25.4
99.04439	5.0
101.06055	2.4
105.06326	2.7
105.07037	47.9
107.04974	5.3
107.08606	48.4
109.06538	28.1
109.10184	23.1
111.08079	9.4
115.03938	6.5
117.07011	4.2
119.08595	35.8
121.06522	25.1
121.10150	17.1
123.08100	19.9
123.11723	17.2
125.05986	4.0
127.07572	7.0
129.07048	5.6
131.08600	8.9
133.10136	21.1
135.08060	21.0
135.11633	4.0
137.06000	6.6
137.09607	10.4
139.07550	14.0
142.07727	2.4
143.08563	8.3
145.10149	8.5
147.08043	6.0
147.11700	100.0
149.09642	6.2
149.13243	27.2
151.07516	2.7
151.11183	2.7
153.09093	2.6
157.08792	3.9
157.10170	14.2
161.05899	2.4
161.09612	4.4
161.13284	10.1
163.14828	9.9
165.12776	59.6
171.11717	10.0
173.09660	3.7
173.13243	5.9
175.06068	4.0
175.07538	4.2
175.11180	26.2
181.10208	3.9
183.13840	5.3
187.06078	4.8
189.12747	17.0
191.14320	7.8
193.12271	61.4
199.11203	7.5
207.13861	11.6
209.15353	12.8
211.13426	3.2
217.12296	26.3
229.14392	10.6
235.13315	32.6
253.14391	9.4
297.17093	5.0
307.15350	8.1
321.17010	9.7
325.16602	13.4
349.16681	7.7
367.17511	13.7
385.12936	8.4
385.18414	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	385.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.3
55.01862	10.7
55.05514	18.1
59.04993	5.6
61.01130	4.5
66.17130	2.6
67.05240	2.1
67.05511	24.2
69.03419	11.0
69.07076	15.7
71.05002	13.0
71.50546	3.7
72.35382	2.7
75.59646	2.2
79.05499	27.1
79.98597	2.1
81.03416	3.6
81.07064	61.2
83.04987	44.4
83.08610	8.7
85.02916	2.8
85.06562	13.2
87.04475	15.2
91.05479	29.3
93.07050	84.9
93.07639	4.1
94.07367	3.0
95.04971	22.4
95.08610	46.0
97.02882	5.2
97.06536	37.5
99.04465	20.9
101.05993	3.2
105.07039	72.1
107.04941	7.7
107.07866	4.3
107.08602	54.8
109.06525	28.6
109.10149	11.2
111.08096	29.0
113.06007	6.9
115.03931	13.3
115.07606	4.2
117.06955	5.4
119.08583	36.9
121.06515	56.9
121.07372	4.1
121.10134	14.4
123.04454	5.2
123.08076	10.7
123.11711	12.1
125.06013	19.8
127.07582	12.0
129.05447	8.8
129.06992	5.9
131.08577	10.4
133.06509	4.7
133.10149	41.3
135.08073	25.6
137.05977	6.5
137.09631	3.5
139.07533	25.1
141.05495	5.6
142.07805	4.2
143.07025	6.4
143.08574	8.2
145.10124	10.7
147.08032	9.4
147.11697	100.0
149.09569	4.7
149.13237	4.8
151.03873	6.2
151.07559	4.7
151.11200	8.2
153.09085	4.5
156.09312	4.7
157.04974	5.6
157.08659	7.1
157.10124	18.7
159.06398	3.2
161.04457	5.0
161.09596	3.5
161.13263	10.9
163.11270	3.1
165.12762	35.0
169.12283	11.7
171.11668	15.7
173.09637	4.3
173.13235	4.4
175.06007	20.7
175.07465	5.3
175.11200	54.0
181.10136	6.9
187.05991	5.2
187.11174	2.9
189.09105	2.5
189.12737	32.2
193.12259	79.6
194.12587	2.8
199.11192	22.0
199.91954	2.8
207.13857	22.4
211.13303	41.3
215.08900	2.9
217.12241	74.8
225.15337	2.5
235.13312	54.2
253.14369	35.5
257.10132	15.1
271.11877	2.9
273.09650	7.1
288.02835	2.6
299.16412	5.5
299.77405	2.5
307.15222	4.9
321.16962	3.9
325.16461	16.0
339.18011	8.6
340.15649	2.4
349.16504	8.8
367.17474	22.9
385.12708	3.7
385.17941	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	385.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.2
55.01863	10.6
55.05511	20.8
55.32705	3.2
67.05515	20.0
69.03420	16.4
69.07072	18.9
69.49390	24.7
71.04997	18.0
77.03913	3.8
79.02531	3.6
79.05496	38.5
81.03417	5.6
81.07061	54.3
83.04985	23.6
83.08609	8.4
85.02914	5.6
85.06541	8.7
87.04469	13.2
91.05482	46.4
93.07050	98.0
95.04996	24.7
95.08608	31.2
97.02872	10.7
97.06546	31.6
99.04459	6.6
101.05976	5.3
105.03358	4.1
105.07037	83.5
107.04942	9.0
107.08604	69.2
109.06520	22.5
109.10163	8.1
111.04440	4.4
111.08084	18.0
115.03918	12.5
117.07013	8.9
119.08582	52.0
121.06498	43.5
121.10113	7.1
123.08038	8.1
123.11700	4.7
125.06008	24.9
127.07525	9.5
128.06210	6.2
129.06970	8.9
131.08559	14.0
133.06444	6.7
133.10138	49.1
135.08063	25.3
135.11652	6.3
137.05956	5.5
139.07523	15.9
141.05489	4.0
142.07751	7.1
143.07021	18.2
143.08562	10.1
145.10104	19.0
147.08058	8.1
147.11694	100.0
149.13211	13.1
151.07518	3.7
155.08501	4.4
156.09373	4.4
157.08675	4.0
157.10124	20.2
159.11703	5.2
161.09680	7.0
161.13280	14.3
165.12805	26.1
171.11682	25.7
173.09621	14.3
175.11171	48.4
181.08487	4.4
181.10123	6.3
187.06018	9.4
189.12740	40.6
193.12282	40.3
199.11214	19.8
207.13779	17.4
211.13324	5.5
217.12315	51.8
227.14334	3.9
235.13342	17.8
245.15298	3.8
253.14343	8.6
299.16284	10.4
307.15381	11.8
321.17007	9.7
325.16522	17.3
349.16434	12.5
367.17401	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90714	1.0
53.03939	1.6
55.01858	3.5
55.05506	1.7
56.37495	1.2
58.99599	8.2
61.01153	48.5
67.05496	3.3
69.03428	8.5
69.07060	1.5
70.86588	1.8
70.86919	1.4
73.02894	1.9
77.00609	2.1
77.03910	1.2
77.57777	1.1
79.05494	9.1
81.03400	1.0
81.07052	5.5
83.04976	1.9
85.02877	1.4
86.99046	6.7
89.00623	53.6
91.04964	1.8
91.05486	17.4
93.07053	6.4
95.04943	1.8
95.08614	1.4
97.02876	1.5
99.04472	1.2
103.05444	2.6
105.00093	4.2
105.07036	24.5
106.11948	1.0
107.04967	5.1
107.08605	3.2
109.06493	2.8
115.03915	1.6
115.05460	5.9
116.06255	2.0
117.07025	14.2
119.04982	1.2
119.08576	6.5
121.06485	6.0
121.10159	1.8
128.06233	18.2
129.07008	24.6
130.07797	4.8
131.04889	3.8
131.08568	23.6
132.99580	5.2
133.06491	6.5
133.10132	3.4
135.08075	1.7
141.06987	14.5
142.07770	12.5
143.08566	54.4
144.09308	1.3
145.06497	6.0
145.10120	34.3
146.10451	1.3
147.08044	5.1
147.11682	2.4
149.09546	1.5
153.06993	7.6
154.07794	12.3
155.08568	31.3
156.09351	7.3
157.06537	6.1
157.10121	22.8
158.07266	4.6
159.08015	8.7
159.11676	8.9
161.04227	1.6
161.09642	14.1
165.07004	12.2
166.07773	14.5
167.08530	5.0
168.09357	3.4
169.10129	36.1
170.07295	1.3
171.08038	7.1
171.11699	22.9
173.09624	26.1
173.13300	1.3
175.11154	2.7
177.09087	3.3
179.08527	3.1
181.10130	40.5
182.10876	1.3
183.08061	3.2
183.11713	6.7
184.08847	3.6
185.05911	1.7
185.09610	12.2
187.05840	1.2
187.11195	12.3
189.09039	1.9
189.12708	3.3
191.10703	3.8
197.09625	9.6
199.11189	37.8
201.07394	2.1
201.09143	2.9
201.12758	1.8
202.09839	1.3
203.10664	3.0
209.09634	8.9
213.07368	3.1
215.08714	1.9
215.10678	22.2
217.12270	13.1
227.08621	1.8
227.10680	26.7
233.11769	4.9
245.09558	1.2
245.11768	15.7
257.09921	1.4
259.07916	3.2
263.12674	1.4
275.11008	1.7
291.10620	2.2
295.09839	1.3
303.10666	5.4
321.11581	6.7
337.10962	4.0
339.12506	5.7
349.10922	8.0
367.12054	8.4
381.35721	1.2
385.13168	100.0
386.13269	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57355	0.7
56.96561	3.9
66.61879	0.8
69.96523	1.5
69.96934	2.7
71.95239	0.9
80.73038	0.7
89.78133	0.7
93.06289	0.7
98.21487	0.9
98.97590	56.2
99.97874	0.9
100.97198	0.8
101.00874	3.3
116.98628	23.5
119.01939	5.4
134.99670	6.5
140.00273	0.8
140.98886	1.1
158.99901	2.1
166.08836	0.7
177.00961	12.6
178.01106	1.0
182.99876	1.2
201.00990	2.8
217.04135	2.3
219.02010	20.3
220.02173	0.9
224.85284	0.9
225.01064	2.9
234.99886	0.8
240.98857	3.1
242.98361	1.6
243.02014	13.3
244.02319	0.8
258.99802	20.3
260.00046	5.1
260.99731	17.5
261.03079	100.0
262.03268	3.7
277.00833	17.9
278.00937	4.7
279.00659	20.6
282.99823	4.3
284.04819	1.1
284.99854	4.3
301.00821	4.4
302.01489	1.2
303.00867	3.1
325.00519	0.9
343.02322	2.2
343.10880	0.7
367.02371	2.5
385.03281	19.5
386.03366	1.1
402.99985	3.2
403.04984	11.9
408.04675	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.1
55.01873	9.8
55.05500	5.3
57.03419	2.3
58.99586	16.5
61.00844	4.0
61.01152	67.4
65.03934	2.4
67.05508	9.9
69.03434	17.9
69.58876	11.1
71.04996	3.2
73.02870	2.8
77.00612	2.2
79.05493	19.8
81.03435	3.7
81.07085	12.6
82.69427	1.8
83.04976	6.4
86.99076	10.9
89.00622	74.2
91.05482	28.8
93.07047	14.5
95.04971	7.5
95.08607	6.5
97.02890	6.6
97.06528	3.2
99.04429	2.7
103.05472	4.6
105.00069	9.6
105.06403	3.5
105.07038	47.4
107.04942	9.6
107.08616	14.1
109.06513	6.5
109.10172	2.1
111.08052	3.5
115.05444	10.3
117.07012	19.5
119.08577	15.0
121.06512	7.5
121.10122	2.8
123.04414	2.3
123.08102	4.2
128.06221	25.0
129.07010	33.6
130.07776	7.2
131.04951	5.8
131.08560	32.3
132.99519	7.9
133.06493	10.0
133.10115	10.5
135.08026	3.4
141.06985	18.4
142.07788	19.7
143.08574	73.2
144.09267	2.1
145.06461	10.3
145.10123	45.5
147.04378	2.6
147.08061	9.6
147.11708	5.3
149.05959	2.1
149.09625	5.8
153.06978	6.7
154.07759	12.3
155.06046	2.8
155.08551	37.4
156.09369	13.7
157.06490	8.6
157.10152	37.4
158.07269	5.0
159.08084	12.0
159.11719	8.5
161.09616	22.9
163.07587	2.9
165.07024	12.9
166.07800	26.9
167.08588	8.0
168.09320	4.5
169.06473	2.4
169.10135	43.5
171.08040	6.6
171.11688	37.8
172.12192	2.2
173.09642	35.9
175.07581	3.4
175.11217	6.2
177.09154	2.9
179.08536	4.9
181.10127	57.3
182.10504	2.0
183.11708	4.2
184.08882	5.1
185.09641	11.6
187.07565	3.5
187.11185	16.4
189.12749	6.9
191.10684	6.4
197.09647	14.4
198.05043	2.4
199.11169	41.2
201.09068	2.7
201.12756	3.6
203.10690	2.9
209.09595	16.6
215.10678	26.3
217.12241	37.6
227.10663	27.7
229.12349	4.7
231.08369	2.4
233.11726	7.3
245.11794	12.8
263.12878	4.1
300.58908	1.8
303.10516	4.6
321.11520	6.0
337.11172	6.1
339.12564	5.0
349.11121	5.2
359.42773	1.9
367.11963	6.6
385.13162	100.0
386.13751	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	384.1155
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
55.01861	1.3
56.96584	0.7
57.03444	2.6
61.02933	0.5
69.03417	1.3
69.04448	0.5
70.06595	0.5
70.07874	0.4
71.01337	0.8
71.14437	1.0
73.02917	0.8
73.70782	0.4
84.08146	0.5
85.02934	2.5
85.28499	0.4
85.65011	0.4
94.04021	0.5
97.02896	0.8
98.89180	0.4
98.97629	0.6
99.00832	0.5
100.63491	0.4
110.07159	0.4
115.03873	1.0
121.05145	1.1
133.04996	0.8
135.06682	2.0
136.06198	19.6
137.04565	0.6
148.06195	6.7
151.03947	3.7
155.05624	0.7
160.06189	1.2
161.04573	0.5
162.07762	36.3
163.08069	0.6
164.05643	0.5
187.80513	0.4
188.05696	12.2
192.05174	18.0
201.96469	0.5
206.06779	7.7
208.95348	0.6
216.05188	0.6
219.98970	0.4
222.11250	0.6
234.06232	9.8
252.07309	100.0
253.07509	0.8
260.86920	0.5
263.96976	0.8
291.13663	0.5
299.99170	0.8
304.52515	0.5
384.11508	22.2
385.11652	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.8
55.01876	7.3
57.03436	7.3
61.02946	5.2
68.17098	3.2
68.99800	4.2
69.03436	31.8
69.82749	13.4
70.63543	2.2
71.04996	4.7
73.02917	7.6
81.03424	25.7
81.07046	3.0
84.04489	2.3
85.02909	100.0
87.00831	49.7
87.04457	5.0
91.03993	3.4
91.05490	4.2
93.07040	5.5
95.74879	2.7
97.02898	38.9
99.04468	15.2
105.01864	67.2
107.08644	2.8
109.02875	33.1
109.10188	7.0
117.01827	3.1
119.10686	5.3
127.03924	80.8
129.01846	3.6
145.04971	38.2
146.95740	2.4
148.50854	2.6
153.05511	3.4
159.02885	14.2
160.09373	2.8
189.03934	2.7
213.04073	5.3
213.99751	2.7
231.05074	17.8
249.06094	5.7
366.15198	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	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03948	6.5
55.05522	16.7
56.20665	2.8
57.07073	9.1
58.29484	2.8
59.05002	6.4
67.05505	31.0
69.03422	16.1
69.07069	6.2
69.37617	26.2
71.04986	6.3
79.05499	32.5
81.03400	4.8
81.07057	32.1
83.04989	10.3
83.08642	3.5
83.62982	2.8
85.06570	3.8
88.24746	2.7
91.05491	49.4
93.07050	100.0
93.07640	5.4
93.20805	2.9
94.65884	2.8
95.04970	24.3
95.08618	43.5
97.06533	10.1
105.07043	77.0
107.04980	4.2
107.08599	42.2
109.06531	28.2
109.10173	17.4
111.08080	10.9
115.05421	3.1
117.07037	11.1
119.08590	56.4
120.09358	3.8
121.06505	15.1
121.10157	45.7
123.08076	29.3
128.06236	7.2
129.07062	14.9
130.07814	5.5
131.08556	31.7
133.06465	13.5
133.10135	32.1
135.08057	19.8
135.11719	5.8
137.06017	3.5
137.09645	11.6
137.60976	2.7
141.07077	4.2
142.07805	23.5
143.08580	27.4
144.09372	4.4
145.10138	42.0
146.07213	4.6
147.08063	28.8
147.11716	18.6
149.09657	27.6
151.07567	45.8
153.09061	3.3
155.08580	11.5
156.09361	12.3
157.10152	45.4
158.10785	3.6
159.08049	9.6
159.11725	20.6
160.08850	4.1
161.09602	27.5
161.13283	8.4
163.11200	8.7
165.09117	45.5
167.08530	3.6
169.10123	7.1
170.10780	3.6
171.11751	7.1
173.09679	11.9
173.13242	8.7
174.10416	3.2
175.11234	26.9
175.14806	7.0
177.09146	14.0
181.12292	3.4
183.11676	5.1
185.09665	3.4
185.13203	17.8
187.11250	4.6
187.14772	3.5
189.12741	10.0
191.14226	3.8
195.11754	5.3
197.13286	6.2
199.11179	4.3
199.14684	4.5
201.12770	7.9
203.14299	36.1
207.11960	4.5
207.13843	12.9
209.13316	4.1
209.15311	6.7
211.14992	3.2
213.12642	5.0
215.14394	8.7
219.13792	8.4
221.15372	74.5
225.16534	3.8
227.14319	4.7
233.15315	8.2
234.16212	15.5
237.14578	3.3
274.19250	4.1
281.19034	3.6
286.19269	7.2
287.20032	9.7
299.20221	6.5
303.19662	9.2
309.18655	4.5
313.21915	3.3
365.24747	14.1
383.25854	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.5
55.05521	17.5
57.07062	9.6
59.05008	3.6
65.03918	3.5
67.05505	33.1
69.03430	14.4
69.07063	10.1
69.82224	11.0
71.04998	8.7
79.05493	32.0
81.07070	36.5
83.04972	7.6
83.08623	5.9
85.06544	4.2
91.05481	54.8
93.07053	100.0
95.04979	26.1
95.08619	33.8
97.06523	12.2
98.21429	4.0
103.05464	7.9
105.07044	79.2
107.08604	45.3
109.06518	20.6
109.10172	23.6
111.08067	10.1
111.33265	2.9
115.05437	7.3
117.07002	11.2
119.08586	50.5
121.06542	16.3
121.10163	42.3
123.08070	33.0
123.11708	4.1
128.06244	7.9
129.06989	14.0
130.07817	4.5
131.08583	29.9
133.06506	6.0
133.10143	39.2
135.08038	27.5
135.11618	5.0
137.09601	11.6
141.06976	9.3
142.07817	22.2
143.08571	29.2
144.09322	3.8
145.10139	41.7
147.08054	34.8
147.11734	20.2
149.09615	26.4
151.07561	44.0
155.08554	7.1
156.09309	10.3
157.10144	46.0
159.08131	7.9
159.11652	17.1
161.09651	19.8
161.13248	5.5
163.11189	6.5
165.09126	47.0
169.10210	8.0
170.10963	7.2
171.11641	11.0
173.09608	13.6
173.13258	10.0
174.10454	3.6
175.11211	26.7
175.14781	8.6
177.09074	9.6
179.08597	3.3
181.10077	4.6
183.11696	5.5
185.13316	20.0
187.11208	3.6
189.12735	12.9
195.11647	4.6
197.13249	10.0
199.11237	7.0
201.12740	10.4
203.14375	33.5
207.13806	14.2
209.13257	8.9
209.15292	6.2
211.11058	3.3
213.12752	4.4
215.14253	7.6
219.13855	4.8
221.13396	4.3
221.15378	84.1
227.14240	6.1
231.13933	3.3
233.15375	8.0
234.16106	8.8
243.13953	4.6
281.18973	6.6
286.19055	4.1
287.19827	6.4
291.17410	3.2
299.20093	7.9
303.19434	12.4
365.24823	15.1
383.25793	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.9
55.01877	3.0
55.05514	15.4
57.03424	3.2
57.07075	16.1
59.04994	6.8
65.03945	4.3
67.05511	32.4
69.03421	13.6
69.07062	8.1
69.28391	20.3
71.04984	7.9
77.03932	3.0
79.05499	29.6
81.03412	2.8
81.07063	39.4
83.04985	7.4
83.08617	2.5
85.06559	6.7
91.05482	47.8
93.07047	100.0
95.04970	27.5
95.08616	31.3
97.06530	13.6
98.20741	4.3
103.05444	2.7
105.06314	4.0
105.07036	78.1
107.04979	2.7
107.08606	40.9
109.06516	21.4
109.10156	23.3
111.08073	8.3
116.06294	3.1
117.07007	11.3
119.08585	52.8
121.06501	17.1
121.10139	46.9
123.04506	3.0
123.08072	28.2
125.06007	3.0
128.06186	5.8
129.07037	11.6
130.07811	5.6
131.08577	28.3
133.06566	10.7
133.07487	2.7
133.10135	29.5
135.08052	26.2
135.11728	7.8
137.09637	13.9
141.06979	4.3
142.07782	21.6
143.08571	21.5
144.09335	5.1
145.06480	3.1
145.10127	31.5
147.08058	27.3
147.11688	15.7
147.71004	2.2
148.08859	3.0
149.09631	27.1
150.10387	2.7
151.07538	35.1
151.11263	2.7
153.09093	3.5
155.08577	10.1
156.09352	6.9
157.10155	36.8
159.08072	7.9
159.11705	13.2
159.62888	2.3
161.09622	23.1
161.13232	7.9
163.07591	2.6
163.11208	6.3
165.07037	3.3
165.09125	42.6
169.10167	4.0
170.10887	5.1
171.11687	8.2
173.09639	11.4
173.13275	10.3
175.11201	18.9
175.14922	7.6
177.09134	12.9
178.09886	3.9
179.14326	2.4
181.10178	5.5
183.11726	6.3
185.09657	2.6
185.13264	15.9
187.11180	5.2
187.14783	3.4
189.12778	7.7
191.14352	4.3
193.10210	3.9
195.11716	5.4
197.13281	7.0
199.11221	3.9
199.14851	2.6
201.12743	10.0
203.14331	27.8
205.15862	2.5
207.11847	3.6
207.13847	11.0
209.13396	4.8
209.15288	4.4
211.11084	4.3
211.14757	3.3
213.12646	3.2
215.14313	5.7
216.15141	4.5
219.13831	10.3
221.13432	3.5
221.15378	76.4
222.14085	2.4
223.14848	3.9
227.14409	6.0
228.44231	2.8
231.13821	4.6
233.15459	6.5
234.16129	18.3
237.14868	2.6
243.13828	3.3
281.19186	2.9
286.19266	2.7
287.20053	9.2
299.19992	5.5
303.19540	5.9
309.18384	4.5
334.91888	2.7
365.24777	9.6
383.25888	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03944	7.4
54.61442	2.8
55.05503	15.0
57.07066	11.6
57.58312	3.2
59.04993	4.2
64.98431	3.2
67.05506	33.7
67.97543	3.2
69.03428	11.1
69.07060	8.9
69.98537	9.2
69.98927	5.8
71.04991	8.9
77.03931	4.5
79.00732	2.8
79.05492	34.4
81.07064	33.5
83.04977	7.7
83.08648	5.2
85.06527	7.5
87.79095	3.5
91.05486	52.8
93.07051	100.0
95.04970	22.2
95.08613	43.4
97.06528	16.5
105.07034	87.8
107.05006	5.3
107.08607	52.5
109.06534	28.4
109.10149	13.6
111.08078	7.4
115.05472	3.4
117.07022	12.1
119.07802	5.0
119.08591	57.0
121.06497	12.6
121.10152	47.2
123.08070	34.0
125.09648	4.3
128.06229	9.8
129.06995	16.0
130.07819	7.9
131.08578	30.4
133.06500	10.9
133.10124	30.9
135.08069	26.8
135.11707	7.2
137.09590	11.2
141.06993	5.9
142.07770	24.7
143.08607	24.4
144.09320	5.7
145.10129	39.8
147.08041	21.0
147.11708	15.8
149.09641	32.7
151.07550	45.8
155.08508	7.8
156.09297	10.2
157.10133	45.0
159.08063	13.0
159.11681	21.0
161.09628	24.4
161.13307	7.0
163.11140	8.1
165.09155	26.5
169.10101	8.2
170.11050	4.4
171.11681	15.0
173.09630	11.4
173.13258	11.9
175.11166	29.1
175.14819	9.6
177.09123	11.2
181.10144	3.7
182.10922	3.7
183.11655	8.0
185.13290	13.7
187.11172	6.9
187.14777	3.4
189.12758	11.7
191.14287	4.6
194.10944	5.2
195.11646	3.7
197.13272	6.2
199.11325	3.3
199.14743	4.3
201.12715	7.9
203.10799	3.4
203.14307	29.5
207.11790	5.8
207.13803	11.5
209.13257	6.0
211.14893	4.5
213.12735	5.3
215.14323	16.5
219.13768	9.9
221.13280	4.4
221.15343	64.8
222.07187	2.9
223.14816	4.9
225.12823	4.9
227.14233	8.0
229.12234	3.8
231.13911	4.5
233.13312	4.1
233.15393	6.1
234.16139	16.5
271.17062	3.6
274.19186	4.1
286.19241	6.0
287.20087	7.5
299.20245	7.3
303.19568	7.3
323.23984	3.6
365.24689	11.7
383.25821	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	4.4
55.01875	10.8
55.05508	14.4
57.03439	7.2
61.02919	4.8
65.03950	3.8
67.05499	18.4
68.40487	3.8
68.99792	7.7
69.03436	53.0
69.07079	7.3
69.71029	21.7
71.04992	15.1
79.05513	31.8
81.03425	23.8
81.07069	59.7
82.11470	3.2
83.04993	16.6
85.02915	34.4
85.06562	3.5
87.00864	18.0
87.01302	3.9
87.04472	3.7
91.05491	43.3
93.07048	100.0
95.04976	19.8
95.08620	26.1
97.02907	30.9
97.06538	10.1
98.20854	6.1
99.04469	8.0
105.01864	5.8
105.07039	62.5
107.04967	7.3
107.08607	97.8
108.08893	4.4
109.02917	5.4
109.06525	10.9
109.10169	10.8
109.14127	3.7
111.04431	19.3
115.03938	6.7
117.07035	12.3
119.04939	4.2
119.06036	4.1
119.08571	33.4
121.06524	15.1
121.10158	19.6
123.04427	6.2
123.08089	13.1
123.11748	3.9
125.05997	6.0
127.03915	8.6
128.06233	3.7
129.07002	11.3
130.07779	5.5
131.08553	22.9
133.06551	8.1
133.10178	21.0
135.04460	3.9
135.08067	9.8
135.11708	42.5
137.06004	7.9
137.13272	7.7
141.07043	6.3
143.08574	15.9
145.06531	5.2
145.10149	28.9
147.08070	11.4
147.11681	23.8
149.05994	8.3
149.09663	7.2
149.13278	5.6
151.07530	4.5
151.11195	7.1
155.08559	6.7
157.10182	12.7
159.02911	5.5
159.08073	6.6
159.11687	21.0
161.13257	4.1
163.07570	4.4
163.11205	35.6
165.09103	5.3
165.12770	43.6
166.14531	3.7
167.07024	4.5
169.10100	5.4
171.08022	6.3
171.11725	4.0
173.09610	17.1
173.13278	8.1
175.07567	4.7
175.11205	11.9
177.12761	10.9
183.08189	4.7
185.09598	5.8
187.07559	4.5
187.11227	9.2
189.12766	10.4
191.10692	5.7
193.12267	13.6
197.09711	4.6
197.13300	6.3
199.07608	8.4
201.03978	5.6
201.12813	6.4
203.10699	3.8
205.12262	10.0
207.13846	5.4
209.11931	4.1
215.10760	5.9
215.14339	10.4
219.13814	6.8
223.13374	3.5
225.12894	5.2
233.15372	5.9
243.13846	43.9
257.06665	4.5
261.14890	69.9
279.15939	15.8
297.16867	4.1
321.17020	6.7
337.11194	3.8
347.14883	22.5
365.16028	36.8
383.17160	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	12.8
53.42001	2.7
55.01880	14.8
55.05516	26.4
55.88500	2.9
57.03427	9.7
58.99574	5.5
59.04994	4.5
61.01160	17.5
61.02920	8.3
65.03934	6.4
67.05510	45.9
69.03429	45.5
69.07066	15.8
71.01367	4.7
71.05004	35.1
71.50459	3.9
73.02918	5.8
79.05504	45.7
81.03427	98.0
81.06595	4.7
81.07066	92.7
83.04552	4.7
83.04985	49.9
83.08607	7.0
85.02915	40.4
85.06542	8.0
86.99056	3.9
87.00820	6.0
87.04438	4.0
89.00633	16.7
91.05478	40.0
93.03405	3.9
93.07050	78.1
94.07394	2.9
95.04988	23.8
95.08611	47.4
97.02905	20.1
97.06517	11.5
99.04454	14.0
103.03931	10.6
103.05483	3.4
105.01866	3.7
105.06413	4.3
105.07041	68.6
107.04956	9.5
107.08606	88.2
107.77789	3.6
109.02914	15.9
109.06544	18.0
109.10168	54.8
111.03722	6.7
111.04451	100.0
111.08055	3.6
113.05995	4.5
115.03928	6.2
117.07021	12.3
119.04945	6.8
119.08591	45.2
121.06496	15.0
121.10151	35.2
123.04440	7.8
123.08054	10.0
123.11702	65.1
125.06014	3.7
125.09642	11.3
127.03912	13.6
127.11220	13.2
128.06198	9.6
129.05444	3.1
129.07024	14.9
130.07753	4.4
131.08580	25.9
133.06493	7.1
133.10126	35.5
135.04387	4.4
135.08115	7.2
135.11700	63.6
137.05972	8.9
137.09636	7.1
141.07005	9.3
141.83968	3.0
142.07799	5.6
143.08578	25.3
145.06477	8.0
145.10129	48.0
147.04414	3.3
147.08047	9.9
147.11688	30.6
149.06026	3.4
149.09631	7.9
149.13217	7.5
151.07562	4.5
151.11176	21.1
153.06908	4.1
153.12766	5.7
154.07809	5.7
155.08531	10.9
156.09377	5.7
157.09001	3.8
157.10092	19.7
159.08023	9.1
159.11697	37.0
161.06006	5.4
161.09576	8.0
161.13284	20.1
163.03912	7.2
163.11198	11.7
165.06940	5.7
165.12709	6.1
167.08524	3.7
169.10158	17.3
171.08028	8.6
171.11684	15.0
172.08887	3.4
173.09662	15.3
173.13258	8.5
175.11272	7.4
175.14745	7.4
177.12729	6.9
177.16394	4.1
183.11609	8.2
185.09636	5.0
185.13176	7.4
187.11165	15.2
187.14813	12.0
189.09151	5.0
189.12747	10.5
189.16344	10.7
191.10699	7.1
191.14359	5.1
193.15839	4.2
195.11690	5.2
197.09657	9.7
197.13295	6.5
199.14761	3.4
201.12785	6.3
201.16397	9.8
203.14262	6.5
203.17957	6.9
205.12221	5.9
213.12766	5.0
213.16602	4.9
215.10770	20.8
215.14381	4.5
221.19031	5.2
225.12723	4.9
227.08905	3.5
227.17911	4.6
231.05074	4.2
231.17470	4.2
233.11716	9.0
233.15508	4.6
243.10216	7.7
243.13765	7.0
261.11197	4.0
261.14984	9.6
279.15887	3.7
282.54538	3.4
294.76404	3.4
319.09668	4.7
329.20901	6.9
337.10764	7.0
347.15109	3.4
347.22092	7.1
351.12109	5.3
353.10376	3.4
365.15820	7.6
365.23392	5.9
383.11465	16.7
383.16785	39.4
383.24463	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74969	4.5
53.03940	6.9
54.03135	3.7
55.01867	11.8
55.05502	15.8
55.59518	4.7
62.76900	3.8
65.03938	4.0
67.05503	25.0
69.03091	7.2
69.03436	100.0
71.04979	13.8
71.24024	5.5
71.24348	4.4
79.05505	27.3
81.03423	35.1
81.07068	37.3
83.04999	29.5
83.08596	5.6
85.02934	9.0
87.00829	3.9
91.05483	47.6
93.07047	53.1
93.62085	4.4
95.04973	40.4
95.08644	8.8
97.02917	19.0
97.06531	17.5
99.04447	14.4
100.11250	23.7
103.05463	9.1
105.07037	47.2
107.04935	15.2
107.08603	23.9
109.02892	8.7
109.06522	9.5
109.10133	20.9
111.04460	44.0
113.05990	15.5
114.09171	21.2
115.03925	12.1
115.05432	7.1
117.07059	26.9
119.04944	6.9
119.08590	28.6
121.06534	28.7
121.10175	6.6
123.04439	10.8
123.08034	6.9
123.11727	22.9
125.05975	4.1
127.03920	10.0
128.06221	22.0
129.07016	22.6
131.08594	22.9
133.06480	11.6
133.10126	9.6
135.04419	7.9
135.08112	8.9
135.11707	21.5
137.05963	12.7
139.03853	3.9
141.05440	5.5
141.06987	18.6
142.07715	9.2
142.08690	9.4
143.08560	26.7
144.09280	3.7
145.06485	24.0
145.10197	24.7
147.08032	20.8
147.11711	5.3
149.05963	20.4
151.07552	11.4
153.05750	3.9
153.07008	13.8
154.07726	20.9
154.12256	8.8
155.08566	22.5
157.06494	5.3
157.10121	12.1
159.08060	18.1
159.11743	7.2
161.05997	9.3
161.09595	18.1
163.07553	9.5
163.11105	5.0
165.05580	4.9
165.07004	4.7
165.09073	6.8
166.07843	4.8
167.07054	15.2
167.08548	16.1
169.10173	31.2
171.08060	15.7
171.11649	7.6
173.05940	13.3
173.09631	31.2
175.07561	5.7
175.11174	7.3
179.07089	4.7
179.08588	5.4
182.15381	11.4
183.07983	7.8
185.09610	18.5
187.07501	8.6
187.11205	19.5
189.09134	10.3
191.07033	12.5
191.10695	7.8
197.09625	31.0
199.07541	9.7
199.11166	5.9
201.09113	17.1
203.10677	11.1
203.14159	4.6
205.08617	6.2
205.12248	6.2
209.16481	6.5
210.14827	12.2
213.03940	6.9
213.09047	15.3
215.10677	37.9
217.08492	9.5
217.12222	7.2
219.10043	8.6
221.15363	6.3
225.09126	12.8
231.04970	9.6
231.10194	12.5
233.11700	15.1
243.10210	33.6
259.09738	5.2
261.11295	56.2
261.14261	6.8
279.12338	32.0
297.13300	10.3
369.82678	4.5
378.45947	4.0
383.11084	8.8
383.16858	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	383.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52852	1.5
53.03934	6.4
55.01867	3.7
55.05502	6.6
57.07072	4.6
59.04982	2.5
61.65602	1.5
65.03960	2.6
67.05511	13.0
69.03093	3.1
69.03436	49.6
69.07061	5.8
71.04980	5.8
71.50878	2.0
79.05489	10.6
81.03425	20.1
81.07053	14.0
83.04978	9.8
85.02889	9.4
85.06531	1.9
87.00829	3.0
87.04496	2.6
91.05479	19.6
93.07050	64.0
93.07639	3.1
95.04962	7.1
95.08613	18.0
97.02878	7.9
97.06513	8.2
99.04466	18.9
105.07020	21.1
107.04935	3.7
107.08598	52.8
109.02879	6.4
109.06536	4.5
109.10164	28.3
111.04448	10.6
113.06041	2.0
117.07030	3.1
119.04932	4.0
119.08606	9.8
121.06473	3.9
121.10143	5.2
123.04424	2.9
123.08059	4.1
123.11678	8.3
127.03915	13.7
129.07021	2.6
130.07822	1.9
131.08563	6.3
133.06512	2.5
133.10115	6.4
135.08012	3.5
135.11700	100.0
137.06003	3.2
139.03909	1.9
139.07539	1.7
143.03372	11.7
143.08543	5.6
145.04973	3.8
145.06474	2.3
145.10133	11.2
147.11687	6.2
153.12762	26.0
157.10078	2.8
159.06606	1.9
159.08055	2.8
159.11705	8.1
161.05939	2.2
161.13295	2.4
163.11211	3.9
167.08488	1.7
169.10152	3.5
171.11693	3.2
173.09593	5.8
173.13203	1.8
175.07607	2.3
181.12277	4.6
187.06123	1.7
187.11215	6.5
187.14758	1.8
189.12740	1.8
191.10698	2.3
199.07524	2.2
203.05489	9.5
205.12219	3.8
213.03908	17.9
215.10683	6.8
215.14389	2.7
231.04979	11.3
233.11798	5.5
233.15327	3.7
268.61346	1.5
347.15106	2.1
357.27295	1.8
365.16003	17.8
383.11166	2.4
383.16827	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	383.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.8
55.01860	14.0
55.05505	15.5
57.03428	4.9
58.24940	4.7
61.01160	5.9
65.03938	6.2
67.05500	26.0
69.03432	100.0
69.07047	4.4
70.06588	5.7
70.29454	11.5
70.29800	9.5
71.04996	13.0
79.05506	26.1
79.35210	4.4
81.03415	26.6
81.07055	41.8
83.04988	29.7
85.02898	16.7
85.06519	7.5
87.00822	5.6
91.05489	58.0
93.07045	59.8
95.04958	35.2
95.08608	13.9
97.02898	17.1
97.06535	13.4
99.04459	10.3
100.11255	12.6
103.05485	6.0
105.07051	50.2
107.04910	6.5
107.08618	32.0
109.02877	5.8
109.06514	13.1
109.10154	15.8
111.04428	35.7
113.05998	22.8
115.03941	16.0
115.05460	9.6
117.06275	5.7
117.06994	35.3
119.04917	5.4
119.08581	20.8
121.06512	27.1
121.10146	9.3
123.04420	9.7
123.08069	5.6
123.11708	16.9
125.05994	6.5
127.03954	8.9
128.06236	13.2
129.06999	26.4
130.07762	5.7
131.04907	5.0
131.08565	16.0
133.06487	10.6
133.10123	12.7
135.04439	6.0
135.08089	15.1
135.11678	24.0
137.06006	10.7
139.07576	4.1
141.05472	5.2
141.06978	17.9
143.08569	27.5
145.04842	5.3
145.06514	20.9
145.10133	34.5
147.08025	17.9
147.11670	6.4
149.06007	17.4
151.07520	7.4
151.11240	8.8
153.07031	9.6
154.07762	11.3
155.08534	25.6
157.10138	14.1
158.07196	5.5
159.08101	18.1
159.11726	15.1
161.05988	7.2
161.09653	10.9
163.07492	10.6
165.09151	5.4
167.07068	13.7
167.08525	11.0
169.10156	24.2
171.08064	12.1
171.11722	9.1
173.06041	7.5
173.09679	26.4
175.07596	7.6
175.11172	10.6
179.07085	6.2
179.08546	9.3
182.07309	5.0
182.15503	5.1
183.08160	6.7
185.09602	13.9
187.07553	7.7
187.11195	16.6
189.09227	6.6
191.07043	12.7
191.10725	5.6
197.09570	23.0
199.07642	7.4
199.11246	12.7
201.09140	20.1
203.10715	6.7
205.08424	6.4
210.14845	8.5
215.10692	45.9
219.10185	12.0
225.09106	11.8
231.10158	11.0
233.11722	12.7
243.10265	38.6
243.13989	5.7
243.33054	5.2
261.11240	48.4
261.14780	7.0
279.12326	24.6
300.02573	5.0
310.74194	4.9
365.15814	6.3
383.10739	5.9
383.16629	12.5
383.22458	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	383.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07324	3.8
56.96557	10.9
57.36342	4.6
61.02920	4.1
69.03429	13.5
70.06592	4.7
70.20053	9.4
70.20438	7.4
72.11134	4.3
79.05504	4.3
82.99863	10.7
84.04518	4.2
84.08157	4.9
85.02914	12.6
86.99352	6.5
97.02890	29.7
98.97606	10.5
101.00881	51.1
109.02882	6.8
110.97600	6.8
113.00908	19.3
115.02402	4.3
116.98663	4.8
119.01156	7.3
119.01929	92.9
121.02882	65.8
127.02360	8.5
131.01926	32.6
133.03465	7.3
137.02936	11.6
139.02425	6.3
140.02454	3.8
143.01883	32.0
145.03511	43.6
155.01910	34.6
157.03513	30.9
161.01044	4.1
161.01672	5.9
161.02968	59.3
163.03929	5.6
167.01936	11.4
169.03432	8.9
173.03020	30.0
175.04509	7.8
179.01868	23.9
185.02977	45.3
187.04530	11.5
193.03482	4.9
194.04263	5.2
195.05038	15.5
197.02975	85.3
203.02141	7.0
203.04042	23.9
211.04564	7.9
213.06108	4.5
215.03983	27.3
221.02989	71.5
221.05113	16.1
227.04120	6.6
233.02972	13.2
235.04492	10.9
237.02762	4.4
237.06128	11.8
239.04028	33.1
245.02916	28.2
245.05113	68.9
247.04550	10.9
251.04010	9.5
263.03845	25.1
263.06229	14.0
265.05579	11.7
275.04001	32.0
281.05194	22.6
281.12051	4.8
287.04077	6.3
293.05106	7.4
295.06711	19.8
305.05151	8.5
321.08273	4.7
323.06174	82.0
336.24765	4.0
341.07175	52.0
350.69550	4.8
359.08069	5.7
383.08279	100.0
384.08652	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01871	3.4
55.05510	1.1
57.03436	0.7
61.02914	0.7
65.03943	1.9
67.05503	1.9
69.03424	3.5
69.07056	0.6
69.70361	2.7
71.05007	1.1
79.05496	2.3
81.03418	2.2
81.07066	2.3
83.04990	1.5
85.02894	3.1
87.00822	0.6
87.04443	0.5
91.05484	18.5
93.07049	4.7
94.17195	0.5
95.04959	1.9
95.08604	1.2
97.02885	1.8
97.06554	1.0
99.04462	0.9
103.05470	1.5
105.07040	3.7
107.08625	3.5
109.02895	0.9
109.06511	0.8
109.10153	2.1
109.70734	0.5
111.04420	1.9
115.03918	0.6
117.07043	0.9
119.04951	6.9
119.08572	1.5
121.06515	2.1
121.10162	1.6
122.94621	0.5
123.04429	0.6
123.11668	0.7
125.06026	0.7
127.03931	1.4
129.01823	0.6
129.06985	0.7
131.08548	1.7
133.06499	1.4
133.10144	1.3
135.08066	0.9
135.11705	1.6
137.05989	0.8
139.07590	0.4
145.06551	0.7
145.10132	2.2
147.04399	11.9
147.08032	0.8
147.11642	0.9
149.05986	18.0
157.10162	0.7
159.08017	0.7
159.11696	1.5
161.05940	0.5
161.09682	0.6
163.11183	1.2
165.05484	100.0
165.12701	0.7
166.05812	0.8
173.09647	1.3
175.11188	1.3
177.12740	0.8
185.09575	1.2
187.11197	1.3
187.65225	0.5
191.10594	0.6
203.10680	87.0
204.11063	1.7
205.12239	14.1
215.10667	0.7
233.11670	0.8
243.13881	1.1
261.14874	1.5
347.95731	0.5
383.17038	16.5
393.96399	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1723
Annotation	O-beta-D-Glucopyranosyl-cis-zeatin
Peak:m/z	Relative Intensity
53.03942	0.9
55.01875	1.1
57.03419	1.4
61.02928	3.0
67.05499	1.6
68.53906	0.4
69.03436	8.1
70.06581	0.6
70.74783	1.3
71.04993	0.8
73.02898	1.2
81.03415	3.1
85.02914	15.2
87.04472	1.7
91.03991	0.7
97.02905	6.0
99.04446	1.1
102.89752	0.5
109.02870	1.1
119.03534	3.2
120.08105	1.7
127.03934	2.3
135.06664	1.1
136.06192	100.0
137.04620	0.8
137.06577	1.3
145.04964	2.8
148.06204	4.8
159.06633	3.0
175.09796	1.3
178.21024	0.6
183.44319	0.5
185.08217	10.4
185.11755	0.5
187.08560	0.9
189.08798	0.8
202.10881	17.6
217.08167	0.8
220.11946	70.0
221.12288	0.5
289.89127	0.6
319.40677	0.5
382.17249	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	382.9991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	6.6
60.47820	0.3
70.04417	0.8
70.04810	0.8
71.95277	2.4
79.39098	0.3
80.62675	0.3
86.23563	0.3
98.97588	100.0
102.00925	0.3
116.98627	46.4
119.01952	0.5
128.00258	0.3
134.99664	13.1
136.86314	0.3
140.00208	0.9
153.00755	0.7
168.03033	0.3
177.00949	0.4
181.97447	0.5
190.33157	0.4
198.97673	0.4
216.98756	1.8
219.01964	0.7
225.96318	0.3
234.99811	2.1
237.90671	0.3
240.98686	6.3
258.99780	70.5
259.99945	2.6
261.00067	0.4
261.03082	1.1
262.03149	0.4
263.02780	0.4
274.97861	0.4
277.00836	73.9
278.00995	2.3
282.01379	0.8
283.00012	4.8
284.00092	0.5
284.99817	0.6
295.01816	0.4
299.97806	0.4
300.02396	1.2
301.01065	4.5
302.01163	0.4
303.01041	0.7
316.99100	0.5
317.99008	0.4
358.92905	0.3
359.01114	1.3
360.00012	0.7
382.99899	2.3
400.93228	0.6
400.96017	0.5
401.01086	8.7
402.01260	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.4
55.01873	7.4
57.03441	4.7
60.04517	2.9
61.02922	6.6
63.16848	2.9
66.57471	2.8
68.99759	2.8
69.03434	28.3
70.06593	7.0
70.12823	14.5
71.04999	36.6
73.02903	6.6
75.15336	2.8
81.03403	24.0
83.04972	4.2
84.08146	6.7
85.02910	78.4
87.00842	36.0
97.02894	32.5
99.04450	12.9
99.08103	52.9
105.01877	44.5
109.02896	26.2
117.09135	100.0
121.10178	3.1
121.79236	2.9
121.80048	3.5
127.03934	62.6
128.40474	2.7
135.04440	21.0
143.08325	3.1
145.04990	21.5
147.02890	3.1
158.37639	3.2
159.02890	13.8
185.11768	10.6
201.93997	3.4
231.05019	18.6
246.09445	3.2
246.92236	3.0
249.05998	4.1
255.22462	3.1
337.39435	3.4
343.06577	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	381.2999
Annotation	Persin
Peak:m/z	Relative Intensity
50.38307	2.7
50.47428	2.9
55.01864	7.7
55.05513	32.7
55.23013	2.7
57.07080	25.5
63.00027	2.3
63.42005	2.2
64.18113	2.5
67.01845	9.9
67.05503	19.4
68.99792	51.0
69.03421	5.3
69.07065	38.6
71.08640	12.3
71.51998	3.6
72.70950	2.4
79.05495	13.7
81.03407	3.0
81.07052	20.7
83.04969	8.6
83.08156	2.4
83.08601	18.1
84.08143	6.3
85.10190	7.5
85.65645	2.9
87.00822	4.7
91.05479	6.3
93.07054	15.7
95.08612	19.1
97.02884	7.7
97.06512	10.7
97.10186	12.7
99.04406	3.6
105.07010	7.8
107.08614	13.2
109.10142	7.3
111.00807	75.9
111.04435	11.9
111.08017	3.1
111.11703	2.8
119.08550	3.7
121.10131	12.2
123.11670	3.5
125.05975	4.4
127.03923	37.7
135.08054	5.4
135.11682	9.1
139.03886	30.8
143.11790	12.9
145.10126	4.1
147.11615	4.5
149.13193	3.7
153.05489	3.2
159.11765	2.6
167.10715	2.8
175.11140	2.8
181.12201	3.1
195.10130	6.6
195.13815	3.3
209.11794	15.1
223.13329	13.4
237.14919	15.6
237.18517	3.6
237.28732	2.9
251.16493	19.6
265.17984	14.2
267.15891	5.5
279.19531	21.2
293.21136	10.9
307.22638	7.4
321.24268	4.7
321.27829	6.4
363.28943	100.0
364.29111	5.1
370.06992	3.0
381.30060	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71239	1.0
55.05519	12.1
57.07066	3.2
61.42945	1.3
67.05498	6.7
68.99776	1.5
69.03432	1.4
69.07072	14.4
71.05001	3.2
76.46497	1.2
79.05485	4.3
81.07059	10.4
83.04968	1.5
83.08620	6.5
85.02907	87.4
85.10171	1.7
91.05475	2.9
93.07040	4.7
95.04958	1.8
95.08608	10.6
96.35955	1.2
97.06535	2.5
97.10159	4.9
99.01878	1.1
100.91331	1.1
105.07053	4.3
107.08599	5.0
109.06521	1.5
109.10149	6.5
111.00810	2.9
111.08094	1.6
111.11732	2.0
113.06012	4.5
117.06985	1.2
119.08593	2.1
121.10137	3.1
123.08105	1.7
123.11703	2.6
127.03962	2.5
133.10146	2.2
135.08072	1.5
135.11737	2.4
139.03911	2.0
149.27148	1.4
195.71008	1.2
209.11667	1.2
238.32722	1.2
279.19348	1.4
287.27319	1.5
293.21039	1.8
297.95587	1.2
305.28375	3.0
329.41248	1.1
363.32599	100.0
364.32959	2.5
384.25827	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2639
Annotation	Sartol acetate B
Peak:m/z	Relative Intensity
53.03938	1.6
55.01855	1.6
55.05515	7.2
57.07081	7.2
67.01855	1.8
67.05507	4.9
68.99799	7.2
69.03414	0.8
69.07073	10.3
70.76456	1.9
71.08615	2.7
72.98579	0.8
79.05493	3.3
81.07057	9.8
82.54675	0.8
83.04977	2.5
83.08633	7.2
85.10173	1.0
91.05470	2.6
93.07043	8.7
95.08607	8.8
97.02877	1.1
97.06545	5.2
97.10181	5.7
99.08046	0.7
105.07037	1.9
106.37305	0.8
107.04924	0.9
107.08606	5.7
109.06561	0.8
109.10146	4.4
111.00808	15.9
111.04459	3.8
111.08080	2.2
111.11738	1.3
117.07036	1.1
118.09497	0.8
119.08546	2.6
121.06510	1.5
121.10175	4.6
123.08105	1.7
123.11678	1.0
125.05991	2.7
125.09599	1.5
127.03916	7.1
131.08578	1.9
133.10149	1.4
135.08046	2.4
135.11693	3.4
139.03915	11.9
139.07556	1.6
145.10139	1.9
147.11681	1.1
149.09608	2.5
149.13274	1.6
153.09056	1.0
159.11702	1.0
163.11163	1.5
163.14673	0.9
167.06973	0.9
167.10680	1.0
173.13261	1.3
181.08617	2.2
181.12234	1.2
185.11786	0.9
191.14259	1.0
195.10167	3.1
201.16409	0.8
209.11714	3.3
223.13292	3.4
223.16841	0.8
235.03326	0.8
237.14886	2.7
251.16386	4.0
265.17953	3.5
279.19464	2.4
293.21442	1.1
293.24774	3.4
321.24292	4.2
325.96039	0.9
335.25806	14.9
344.72134	1.0
345.24313	1.3
363.25327	100.0
364.25632	4.8
381.24274	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	381.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.01868	11.9
55.05514	13.5
57.07077	87.6
65.03936	8.1
67.05511	25.8
69.03436	33.5
69.28524	7.8
69.28930	27.5
71.04998	5.3
72.32062	3.3
73.75292	3.7
79.05504	25.3
81.03439	8.9
81.07054	22.2
83.04980	23.8
85.02914	6.3
85.06525	9.1
91.05485	50.3
93.07072	21.8
95.04979	44.7
95.08629	8.3
97.02888	13.9
97.06538	9.5
99.04484	3.6
103.05482	10.7
105.04517	4.5
105.07046	41.9
107.04943	19.9
107.08605	10.8
109.06551	8.7
109.10071	5.9
111.04436	7.2
115.05466	16.2
117.07034	41.4
119.04988	9.4
119.08591	28.4
121.02842	10.7
121.06504	23.6
121.10150	4.2
123.04449	7.8
123.08093	5.9
125.05988	5.9
128.06230	36.3
129.07014	48.9
130.07834	6.3
131.04953	10.1
131.08575	34.5
133.06480	13.2
133.10143	6.0
135.04398	7.9
135.08043	7.2
137.05957	8.7
139.03856	8.6
141.06996	34.1
142.07768	17.2
143.08578	68.0
145.06479	30.7
145.10127	39.1
147.08026	33.9
149.06058	6.8
152.06180	9.4
153.06970	20.8
154.07780	60.4
155.08563	61.9
156.09334	8.8
157.06502	15.8
157.10129	23.1
159.08105	21.2
159.11732	13.0
161.06036	9.2
161.09654	9.5
165.06967	10.5
166.07753	9.2
167.07318	4.2
167.08577	27.4
169.06442	7.8
169.10147	83.8
170.07298	5.5
171.08028	32.1
171.11732	7.4
172.08817	9.2
173.05977	7.3
173.09625	45.5
175.07555	9.5
177.08929	4.5
178.07843	10.8
179.08530	23.9
181.10091	8.4
182.07301	16.6
183.08069	19.9
185.09602	21.6
187.11258	19.7
189.09126	13.6
197.09625	84.6
199.07550	7.7
199.11140	12.8
201.09071	29.6
203.10721	14.1
210.06639	4.2
213.09109	15.5
215.10669	83.6
217.08508	4.7
217.12238	7.9
225.09116	53.5
225.79865	3.9
231.10214	12.3
233.11783	10.2
243.10219	78.2
243.14005	6.5
244.14128	15.4
245.11839	5.3
261.11243	100.0
263.12668	6.4
279.12265	9.5
288.16568	9.3
359.97040	4.2
377.43945	3.8
381.18539	5.9
381.24118	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	381.1909
Annotation	2alpha-Tigloyloxydugaldiolide
Peak:m/z	Relative Intensity
53.03938	6.7
55.05514	89.6
63.21558	3.3
67.05491	10.9
69.03425	10.6
69.07069	3.7
70.68747	10.0
71.04974	8.5
74.21325	3.1
79.05515	19.6
81.03413	9.9
81.07052	11.5
81.10468	3.4
83.04989	100.0
91.05479	26.9
93.07037	13.9
95.04976	15.2
95.08624	6.1
97.02881	4.7
97.06522	8.9
99.04461	26.1
103.05415	3.8
105.07054	44.1
107.04948	11.9
107.08605	8.7
108.81480	3.7
109.06480	6.6
115.05435	12.5
117.07037	17.4
119.04971	7.1
119.08551	12.4
120.80934	3.2
121.06487	7.6
123.04436	3.8
123.08051	7.5
125.05992	5.0
126.95781	3.4
128.06232	13.6
129.07011	22.1
131.04913	5.5
131.08580	28.0
133.06497	11.3
133.10132	6.7
135.04388	4.0
141.06987	14.0
142.07751	10.9
143.08560	29.1
145.06509	11.2
145.10181	19.2
147.04373	5.7
147.08052	9.8
149.06061	4.3
149.09590	11.6
151.07529	8.7
153.06946	5.3
154.07759	8.2
155.08577	20.0
156.09328	9.0
157.06477	8.0
157.10126	22.2
159.04492	4.2
159.08038	19.5
159.11671	5.7
161.09654	5.2
163.07587	4.7
165.06969	8.6
166.07776	12.7
168.09314	3.9
169.06569	7.5
169.08704	3.8
169.10141	14.0
171.08043	8.8
171.11693	31.4
173.09619	11.0
175.07530	8.1
175.11214	6.6
177.09065	7.0
179.08585	4.0
181.10129	48.5
183.11661	9.2
184.08885	6.0
185.09648	16.8
187.07568	11.6
187.11218	14.5
189.12598	4.6
197.09686	8.0
199.11230	46.0
201.09239	3.9
203.10721	9.8
209.09584	8.8
215.10666	32.0
217.12257	30.6
227.10709	56.9
233.11800	11.3
245.11739	74.0
263.12817	87.4
281.13849	17.2
341.80426	3.8
381.07651	3.6
381.14124	4.3
381.19135	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39452	1.5
53.03946	4.7
53.56097	1.5
53.87955	1.9
54.72718	1.5
55.01878	1.9
55.05516	77.1
65.03957	2.1
65.58147	1.6
67.05502	6.6
69.03416	4.5
69.07076	2.8
69.71297	9.3
71.04994	5.5
79.05505	13.9
81.03431	5.5
81.07074	8.1
83.04990	100.0
85.06532	1.6
91.05001	1.3
91.05492	28.6
93.07052	16.8
95.04988	19.1
95.08595	2.8
97.02872	2.8
97.06522	5.6
99.04447	12.4
103.05456	3.5
105.04560	2.2
105.07040	23.6
107.04977	9.0
107.08630	8.0
109.06526	7.6
111.04445	2.4
115.05460	5.6
117.07035	11.4
117.72276	2.0
119.04945	6.5
119.08597	8.8
121.06528	9.2
121.10164	6.5
123.04430	2.9
123.08044	4.5
125.05943	1.9
128.06229	7.2
129.07040	15.4
131.04893	1.8
131.08586	19.8
133.06494	9.4
133.10136	4.6
135.04462	2.5
135.08078	4.7
137.05969	2.6
141.06992	8.8
142.07817	5.4
143.08556	16.1
145.06496	5.7
145.10150	13.6
147.04440	3.3
147.08073	5.0
147.11690	1.6
149.06033	2.8
149.09654	14.0
151.07498	3.9
153.06999	2.4
154.07758	2.7
155.08554	10.7
156.09320	6.4
157.06566	4.9
157.10153	11.3
159.04477	1.9
159.08054	11.2
159.11736	1.6
161.05983	2.5
161.09558	2.5
163.07567	7.1
165.05605	3.7
165.07028	5.3
166.07796	7.3
167.10718	4.1
169.06474	2.2
169.10155	5.5
171.08078	7.0
171.11697	20.2
173.06088	2.2
173.09673	8.2
175.03894	1.8
175.07625	2.2
175.11223	3.7
177.09140	5.2
179.08569	1.9
181.10172	21.3
183.11656	3.6
184.08923	3.4
185.09610	6.7
187.07611	7.3
187.11237	2.5
189.12804	5.9
197.09633	3.0
199.11214	32.4
201.09183	3.2
201.12744	1.8
203.10681	3.9
209.09618	7.1
215.10666	5.7
217.12222	16.9
219.10312	1.9
227.10683	34.1
245.11769	43.4
246.12003	1.6
263.12808	64.5
281.13849	11.5
340.76990	1.7
381.19034	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	381.191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99582	2.9
53.03943	6.4
55.05520	80.2
57.07070	7.7
67.05501	8.9
69.03438	34.2
69.07068	3.3
69.24924	32.3
74.74242	2.9
79.05521	17.5
81.03413	7.7
81.07050	12.2
82.31264	2.9
83.04990	100.0
85.02895	7.9
91.05078	2.9
91.05487	34.4
93.07058	24.1
95.04988	15.2
95.08628	5.3
97.06534	6.3
99.04465	10.3
99.08083	4.6
101.06046	3.3
103.05453	7.1
105.07040	31.8
107.04948	4.8
107.08584	10.8
115.05469	7.1
117.07026	18.2
119.08581	19.0
121.06519	18.7
121.10162	5.3
123.04398	4.8
123.08052	6.6
127.03946	5.1
128.06245	10.8
129.07001	16.8
131.04907	3.2
131.08551	17.9
133.06487	5.9
133.10161	8.0
135.08034	4.2
137.05942	3.2
141.07069	15.3
142.07767	7.8
143.08528	23.4
145.06479	10.7
145.10097	17.5
147.08043	12.1
147.11694	3.9
149.05983	12.5
153.07031	5.1
154.07771	7.9
154.32268	3.1
155.08582	19.2
156.09334	6.4
157.10121	14.0
159.08031	9.2
159.11658	9.7
161.09615	5.8
163.07562	4.2
165.07050	5.8
166.07753	7.2
167.07072	5.6
167.08554	5.5
168.09346	4.0
169.10127	14.1
171.08015	6.9
171.11717	19.7
173.09663	15.5
175.07558	5.4
175.11133	9.5
181.10146	21.7
183.11688	6.6
185.09641	7.4
187.11116	5.0
189.09154	7.7
189.12790	4.8
197.09570	15.9
199.11194	25.3
201.09203	9.8
203.10680	9.2
209.09601	4.6
215.10704	13.1
217.12311	13.7
225.09166	7.3
227.10706	26.6
233.11746	4.6
243.10135	5.6
245.11768	29.4
249.11028	10.6
261.11307	11.1
263.12750	19.1
273.84433	3.0
328.73282	3.4
363.14029	7.5
363.18085	4.4
381.15155	60.5
381.19336	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	381.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70767	3.7
53.03949	4.3
55.01875	14.4
55.05505	10.4
60.77760	4.0
62.90128	4.4
67.05501	10.1
69.03084	7.7
69.03437	100.0
69.07075	8.5
70.60483	11.0
75.02259	3.6
77.03909	4.9
79.05502	23.2
81.03435	7.9
81.07062	14.2
83.04974	14.4
83.72276	3.6
85.02913	11.9
91.05490	34.3
93.07047	23.9
95.04979	20.2
95.08611	7.8
97.02895	10.8
97.06530	21.2
103.05453	10.3
105.07046	40.4
107.04958	16.5
107.08622	9.0
109.02889	7.2
109.06536	9.6
111.04459	32.1
115.05470	20.0
116.06243	6.1
117.07028	35.1
119.04963	4.7
119.08586	23.6
121.06494	20.2
121.10140	6.0
123.11709	7.0
127.03944	9.6
128.06261	33.0
129.07037	35.3
130.07854	4.7
131.04964	8.8
131.08574	37.9
133.06506	17.9
133.10141	12.8
135.04428	11.7
135.08086	16.7
137.05986	10.0
141.07007	21.3
142.07811	31.4
143.04988	4.5
143.08585	46.4
144.05745	5.0
145.06526	17.6
145.10106	25.8
147.08049	18.2
149.06026	8.5
151.03876	5.0
152.06210	9.6
153.05479	5.6
153.07004	9.5
154.07813	15.3
155.08633	24.1
157.06540	15.5
157.10155	29.6
159.04469	7.2
159.08069	29.5
161.06024	12.6
161.09633	12.2
163.07547	11.4
165.05521	7.3
165.06905	5.7
166.07784	3.9
167.08528	26.6
169.06456	4.8
169.10155	9.4
170.07253	13.9
171.08064	39.7
173.06009	7.0
173.09653	24.5
173.13246	9.1
174.06789	6.9
175.07585	22.1
175.11176	6.2
177.05525	5.4
177.09138	7.6
179.07059	8.9
183.08055	15.1
183.11679	6.2
185.09641	71.9
187.07524	15.8
189.09105	21.5
191.07074	6.2
195.08116	18.2
197.09619	8.2
198.06786	4.4
199.07526	20.8
201.09102	28.0
201.12819	19.7
203.10696	12.3
204.22171	3.9
205.08661	17.7
213.09114	81.6
215.07246	4.8
217.08611	25.8
219.10172	15.5
223.07549	7.2
223.09641	6.5
229.08624	16.7
231.10188	53.7
241.08586	59.6
247.09634	36.1
249.11238	9.5
259.09689	69.3
263.29880	4.1
277.10764	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	381.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93272	4.5
65.30445	4.2
70.41557	7.9
70.41929	14.1
155.21420	4.7
196.61638	4.6
237.79468	4.2
245.75398	4.3
308.76193	4.4
381.07956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07307	4.0
65.36717	4.8
70.02544	19.2
98.21411	7.2
114.87472	4.1
125.52101	3.9
249.37410	4.2
271.83640	6.1
367.89752	5.1
381.07901	100.0
404.83167	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	381.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	17.4
55.01870	11.8
55.05507	8.8
55.30893	5.5
56.96555	16.0
57.03430	13.2
65.03945	6.3
67.05491	19.5
67.25789	5.3
69.03439	76.8
69.07065	15.5
70.22836	21.4
70.23169	5.8
71.04974	7.8
79.05505	41.2
81.03410	9.9
81.07052	15.0
83.04969	23.2
85.02901	17.4
91.05492	71.3
93.07059	41.6
95.04970	39.5
95.08602	8.4
95.51467	5.8
97.02913	30.2
97.06532	56.7
99.04479	9.0
103.05456	17.6
105.07034	70.3
107.04935	23.0
107.08579	9.4
109.02861	17.4
109.06551	14.4
111.04454	69.1
115.05492	29.5
116.06230	9.3
116.99162	5.2
117.03256	5.9
117.07024	44.6
119.04915	8.9
119.08582	32.0
121.02874	6.6
121.06536	46.5
121.10143	9.4
123.04432	14.6
123.08087	7.8
127.03976	9.1
128.06235	51.3
129.07033	40.3
131.04913	10.8
131.08580	38.3
133.06497	23.0
133.10136	12.4
135.04454	18.4
135.08028	22.1
137.05980	15.0
137.09579	6.3
139.03850	5.2
141.06985	33.8
142.07791	69.7
143.08574	51.5
145.06512	26.5
145.10124	22.3
147.04433	9.7
147.08034	17.4
147.11702	7.7
149.05965	22.9
151.04004	6.0
152.06183	17.3
153.07008	13.1
154.07767	17.8
155.08580	26.3
157.06491	14.2
157.10121	39.1
158.07332	7.0
159.04411	6.6
159.08032	33.1
159.11713	12.6
161.05974	26.4
161.09624	22.1
163.03860	8.6
163.07564	26.8
165.05540	10.3
165.06978	13.2
167.08545	45.9
169.06519	10.9
169.10168	26.5
170.07245	14.7
171.08075	60.7
171.11649	6.5
173.05997	13.2
173.09598	21.2
174.06766	7.1
175.07518	29.9
175.11113	6.6
177.09106	7.7
179.08609	8.1
183.08006	12.0
185.09634	84.0
187.07556	21.1
187.11194	6.4
189.05443	9.9
189.09090	27.2
195.08054	22.7
199.07483	26.1
201.09085	23.0
203.07060	8.5
203.10692	16.9
205.08646	32.2
211.07425	7.4
213.09106	100.0
215.06902	7.2
215.10635	8.0
217.08667	25.2
219.10234	14.0
223.07507	8.1
223.09616	11.6
229.08611	12.4
231.10199	49.6
241.08659	55.3
247.09743	14.7
249.10901	6.9
253.03775	11.0
259.09686	73.4
277.10782	21.8
277.13660	5.9
363.21689	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	380.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70902	14.4
53.03947	16.2
55.05522	93.6
59.05019	17.0
59.92087	12.9
67.05492	30.7
69.03427	25.7
69.75603	53.4
71.04986	23.6
76.76723	13.4
79.05478	45.1
81.07045	39.4
83.04980	100.0
91.05488	78.6
92.05833	17.9
93.03411	13.6
93.07041	59.4
94.07322	15.9
95.04996	36.1
95.08580	23.5
97.06565	21.5
105.07022	53.4
106.07385	16.2
107.08575	16.4
107.31236	14.2
109.06505	44.4
109.10142	18.2
109.57475	14.8
110.06867	17.2
111.08070	16.7
117.07070	16.0
119.08594	29.4
121.06499	29.4
125.09610	25.7
127.11212	44.9
128.06204	21.6
128.11528	26.9
129.07071	16.5
131.08562	19.0
137.06023	28.9
139.07555	31.0
140.07869	28.7
141.06970	21.9
143.08540	42.8
145.06526	17.7
145.10121	21.9
145.58594	15.3
147.08038	17.7
151.07527	21.0
156.08977	14.9
157.10162	41.2
159.11732	17.9
163.03922	23.3
167.08464	18.5
169.10027	17.3
170.10553	16.2
171.08110	20.4
171.11751	21.5
173.09613	23.7
177.09117	16.0
181.10191	14.9
183.11559	18.4
185.09547	21.6
187.07634	18.1
197.13292	18.3
201.09218	17.7
203.10809	27.2
206.06462	18.6
215.10690	24.2
216.11053	31.1
226.15215	21.6
229.12004	26.6
244.10458	25.0
249.11304	16.0
294.13791	26.2
322.11005	16.3
362.20370	40.7
380.24362	21.1
381.24561	17.8
384.62836	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99384	4.3
66.38762	4.1
70.09807	18.6
74.15142	4.1
79.00453	4.7
86.30687	4.2
93.50978	4.4
98.20787	5.2
106.53321	4.5
175.16106	4.2
214.76581	4.4
223.90105	5.2
381.07990	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34548	4.3
55.05498	7.9
57.03438	7.9
59.05002	8.2
59.15555	3.4
59.54754	3.5
60.49414	4.1
64.25342	3.5
67.05491	3.8
69.63152	15.5
69.63566	10.1
83.04983	4.7
86.39569	3.7
86.99478	4.5
91.89262	3.7
98.20821	4.5
98.72959	3.7
107.08588	4.4
111.96696	3.7
121.06514	4.5
137.05959	4.8
161.78683	3.6
163.03897	4.3
173.09616	16.5
175.07277	4.7
175.11241	5.0
187.11191	10.4
189.09123	16.6
200.20184	5.2
203.10678	29.7
207.06512	8.4
214.09648	4.7
215.10663	4.9
215.14294	10.5
221.14314	4.3
225.12706	5.1
228.11432	5.9
229.12312	6.7
242.78923	4.0
243.13841	100.0
247.13312	8.8
265.82449	3.9
271.13403	3.7
271.16928	9.4
283.16949	11.5
287.16443	55.7
301.17905	4.7
327.19611	7.7
380.24319	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01868	2.1
55.05515	49.0
59.38251	1.7
64.87901	1.7
67.05490	2.7
67.28236	1.4
69.07078	1.8
70.19984	5.3
71.04990	2.1
78.53893	1.9
79.05489	5.0
80.30644	1.3
80.67348	1.3
81.07067	3.4
83.04986	100.0
84.05330	1.8
91.05505	9.6
93.07045	4.8
95.04977	7.4
97.06536	2.2
99.04456	4.3
103.05482	1.6
105.07033	14.1
107.05001	1.4
107.08602	3.2
109.06521	2.1
115.05460	3.5
117.07026	20.2
119.08592	16.1
121.06490	1.8
128.06226	4.9
129.07042	7.2
129.07823	1.4
130.07799	1.7
131.08617	7.7
133.06506	2.0
133.10188	3.0
135.08075	2.6
137.05963	2.9
138.32666	1.7
141.06976	2.3
142.07771	4.8
143.08572	13.8
145.06470	4.8
145.10132	26.4
147.08057	6.4
147.11693	4.6
151.07552	3.7
153.92300	1.4
155.08575	9.5
156.09372	12.1
157.10088	9.0
159.08057	1.7
159.11688	3.0
161.06000	1.7
161.09668	4.9
163.07556	17.4
165.06952	2.3
165.09097	1.7
166.07822	2.9
169.10139	4.6
171.08229	2.7
171.11691	30.9
173.09660	7.9
173.13257	3.2
175.07526	5.6
175.11096	2.9
181.10162	9.3
183.08139	1.7
184.08873	2.3
185.09682	2.2
189.09154	5.8
189.12721	8.6
191.07043	3.4
191.10678	19.2
199.11192	33.9
201.09103	8.5
203.10747	4.4
207.13750	1.7
209.09651	1.8
215.10742	1.9
216.10982	2.1
217.12233	43.9
217.14317	2.5
217.60332	1.5
219.10114	2.7
227.10683	9.0
235.13348	13.3
245.11751	29.4
263.12793	28.8
320.91089	1.7
352.16156	1.6
362.19949	1.7
363.18100	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	379.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53991	5.1
53.03967	5.8
55.05517	39.7
60.44692	4.7
63.14276	4.2
67.05511	9.8
69.03416	11.5
70.45716	14.4
71.05000	40.9
72.85940	5.5
79.05486	15.9
81.07076	9.4
83.04985	45.1
87.93297	4.7
91.05487	17.8
93.07028	15.3
95.04983	12.6
97.06562	7.2
105.07063	25.6
109.10155	7.1
117.07023	15.7
119.04924	6.0
119.08604	16.1
127.11210	100.0
128.06244	8.2
129.07019	17.7
131.08559	11.8
133.06454	8.2
135.08032	7.7
137.05981	7.0
141.06964	14.6
142.07777	9.2
143.08578	16.4
145.06519	16.3
145.10139	12.3
147.04478	6.5
147.08034	11.1
153.07011	9.7
154.07776	15.4
155.08582	20.1
157.10081	6.0
159.08052	9.4
159.11716	11.5
166.07935	5.1
167.08575	8.1
169.10168	32.1
171.08052	6.6
171.11638	6.0
173.05962	8.5
173.09619	12.8
175.07507	9.6
179.08533	7.7
180.37500	4.9
180.55630	6.2
182.07306	5.0
183.08095	8.6
185.09610	11.8
187.11208	16.8
189.09154	14.3
197.09714	36.2
199.11296	9.4
201.09174	12.1
213.09070	8.7
215.10677	32.3
219.10262	8.7
225.09102	19.6
227.10832	5.2
229.12312	6.9
231.10213	7.5
243.10242	36.5
246.36194	5.1
259.13263	5.6
261.11328	29.6
263.12875	12.5
279.12448	7.4
301.17847	5.6
319.15414	18.3
319.19046	47.7
333.20294	6.1
343.18961	7.1
361.20132	43.7
379.22546	8.4
379.32632	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	379.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.01864	0.4
55.05515	2.7
57.07078	2.7
65.03931	0.4
67.01871	0.5
67.05510	2.7
68.99798	3.1
69.07071	2.9
70.94305	0.6
70.94663	0.4
71.01366	0.3
71.08622	0.9
72.69769	0.2
76.48920	0.3
79.05504	1.4
81.03428	1.0
81.07065	2.6
83.04978	0.8
83.08611	1.4
85.06532	0.3
85.10179	0.4
87.00846	1.7
91.05479	0.9
93.07056	0.9
95.04968	0.7
95.08615	1.3
97.02917	0.3
97.06535	0.8
97.10179	0.8
98.03663	0.2
105.07029	0.8
107.08588	0.9
109.10149	0.8
111.00808	2.6
111.04448	0.6
111.08105	0.4
113.02364	1.1
119.08596	0.4
121.10168	0.7
123.04429	0.5
123.08105	0.3
126.03127	2.2
127.03953	1.3
130.71515	0.2
131.08615	0.3
135.08073	0.3
135.11673	0.5
137.09709	0.2
139.03888	1.8
139.11221	0.3
169.08633	0.3
177.38446	0.3
183.10175	0.7
197.09875	0.3
197.11722	0.7
209.11678	0.5
211.13383	1.0
225.14807	1.2
239.16432	1.2
243.10193	0.3
253.18065	1.0
267.19629	1.3
281.21179	0.7
295.22787	0.6
309.24246	0.5
351.32712	0.3
379.32089	100.0
380.32526	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.1
55.01879	7.5
55.05516	100.0
60.05700	5.7
61.07618	5.3
67.05495	24.9
69.03431	21.4
69.97327	21.2
71.05003	37.1
79.05488	25.7
81.07069	10.1
83.04989	96.9
91.04989	5.1
91.05473	36.9
93.07044	13.9
95.04967	22.5
97.02885	8.6
97.06539	10.0
97.10141	6.8
103.05470	9.0
103.98643	5.7
105.07034	36.4
107.04976	14.6
107.08604	13.4
109.06496	7.6
109.10161	10.3
115.05460	13.2
115.61605	6.4
117.07013	31.0
119.04919	10.7
119.08595	17.5
121.06503	23.6
123.04460	8.1
123.08067	8.2
127.11212	84.1
128.06236	32.7
129.07027	43.6
131.08562	20.0
133.06424	7.5
135.04391	9.6
135.08014	6.4
141.07011	27.6
142.07854	14.1
143.08574	49.9
145.06494	20.9
145.10132	20.0
147.08054	23.3
147.74663	6.1
149.06000	7.9
149.09615	5.8
153.06992	19.1
154.07790	41.3
155.06122	7.6
155.08551	53.0
156.09404	6.5
157.06543	8.9
157.10139	16.6
158.07310	10.7
159.08070	10.9
159.11714	9.9
165.07111	6.9
165.09184	7.6
166.07747	8.7
167.08572	18.4
169.10120	67.5
171.08061	24.0
171.11690	9.6
173.09622	25.0
175.07597	8.9
179.08539	26.3
181.06465	8.0
182.07248	12.1
183.08154	8.1
185.09622	17.2
187.11211	19.8
189.09052	11.4
197.09641	79.1
199.07532	9.3
199.11296	8.1
201.09099	28.0
203.10625	9.2
213.09125	10.2
215.10670	65.0
225.09140	50.9
231.10191	11.0
243.10197	71.0
261.11249	87.5
262.11618	7.0
263.12695	12.2
279.12311	7.4
314.10971	5.4
315.19577	8.6
319.15732	9.3
319.19025	55.8
361.20102	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89383	0.8
53.03933	1.1
55.01868	3.7
55.05514	4.7
57.03438	2.7
57.07083	95.8
58.07426	1.0
65.03967	1.1
67.05524	4.5
67.10314	0.8
69.03424	1.1
69.07073	12.1
70.09663	3.2
71.05019	1.1
79.05503	11.4
81.07065	2.8
83.04981	5.3
85.06547	12.4
91.05508	5.8
93.07076	2.6
95.04961	1.6
95.08632	1.0
97.06543	100.0
99.08118	0.9
101.21600	0.9
103.05460	2.8
105.07050	8.5
107.04975	3.6
107.08598	2.7
109.06507	1.2
115.05455	2.1
117.07034	3.1
119.04969	2.9
119.08617	1.9
121.06520	7.9
121.10133	1.1
123.04395	1.0
123.08053	1.5
128.06258	1.4
129.06987	2.9
131.04927	1.7
131.08586	3.7
133.06499	3.9
133.10152	1.3
135.04384	1.1
135.08044	2.2
138.03139	1.6
141.07042	3.0
142.07840	1.8
143.08578	3.6
145.06487	2.2
145.10115	3.7
147.04417	3.0
147.08073	2.7
148.05164	1.1
149.04903	1.6
149.06003	11.2
149.09607	0.9
151.07576	1.8
153.05492	24.8
153.06796	1.8
154.07790	2.3
155.08548	4.2
156.09375	1.2
157.10130	2.1
159.08038	2.4
161.06009	1.4
163.07545	2.8
165.06982	1.2
166.06314	2.2
167.08588	1.9
169.10121	6.8
171.08044	1.9
171.11769	1.1
173.06010	1.5
173.09673	1.2
175.07452	1.1
177.09146	10.1
179.07054	13.2
179.08545	1.9
181.08629	18.9
181.10110	1.4
182.07249	1.2
183.11522	1.1
185.09659	1.3
187.11201	3.0
189.09171	1.4
191.07039	12.7
197.09706	5.2
199.11241	1.5
200.63034	0.8
201.09169	3.4
202.96210	0.8
204.07811	1.8
205.08652	5.8
205.12230	2.6
215.10748	4.8
217.08679	1.1
218.09444	1.3
225.09116	3.2
227.10643	1.7
231.10150	1.9
233.11752	62.9
243.10263	4.1
249.11224	4.1
251.13065	1.0
259.13190	2.4
261.11267	2.7
277.14438	8.6
295.15338	0.9
319.15457	1.8
335.18524	4.9
361.20093	1.5
361.24066	1.5
377.13062	1.1
379.21393	1.9
379.26358	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.8
54.59797	5.0
55.01873	9.3
55.05516	64.4
56.14148	5.1
63.50467	5.1
65.03948	4.8
67.05508	15.2
69.03416	10.0
70.94749	16.3
79.05503	34.4
81.07051	14.8
83.04992	71.9
85.02902	8.3
86.07099	5.0
91.05486	44.2
93.07034	13.2
95.04959	19.7
95.08617	6.3
97.02883	6.4
97.06522	14.8
103.05450	10.0
105.07040	64.5
107.04963	17.2
107.08617	9.6
109.06547	11.2
111.04476	5.4
115.05456	19.2
117.07030	25.8
119.04973	6.1
119.08596	14.6
121.06550	13.7
123.04427	16.3
123.08028	8.6
128.06255	30.5
129.07014	29.0
130.07686	5.0
131.04883	5.8
131.08574	24.5
133.06482	21.9
135.04443	8.3
138.80064	5.4
141.07011	35.5
142.07816	12.6
143.08568	55.7
145.06514	19.4
145.10126	19.5
147.08058	18.7
149.06036	9.5
151.07516	6.4
153.07014	20.5
154.07802	41.4
155.08560	44.9
157.06448	11.4
157.10164	17.5
158.07344	7.4
159.08044	13.1
159.11665	13.2
165.07057	9.3
166.07712	5.7
167.08595	15.5
169.10136	100.0
171.08095	22.8
171.11670	7.5
172.08914	7.1
173.06038	8.3
173.09650	33.2
179.08580	16.3
181.10123	7.8
182.07329	16.7
183.08058	10.1
185.09586	22.1
187.07611	7.7
187.11232	34.2
189.09106	12.0
197.09631	79.4
201.09113	26.8
213.09218	12.5
215.10715	68.9
225.09105	43.8
231.10175	11.5
233.11772	14.8
243.10202	59.7
261.11227	49.7
379.17810	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	379.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
54.27378	1.3
55.01860	3.6
55.05498	6.2
57.03426	4.8
57.07080	100.0
67.05512	2.7
69.07078	7.9
70.70738	1.4
76.79523	1.5
79.05491	15.0
81.07040	1.5
83.05003	6.8
85.06067	1.8
85.06541	13.9
91.05496	7.0
93.07053	3.2
95.04948	3.0
97.06538	98.3
99.08113	1.5
103.05473	2.9
104.17588	1.6
105.07045	7.2
107.04954	3.8
115.05354	1.5
117.07018	3.5
119.04977	1.9
119.08570	3.4
121.06509	9.4
123.04429	2.4
129.06982	3.5
130.07774	1.6
131.08571	1.8
133.06529	1.9
135.08104	2.0
141.06952	2.4
143.08568	3.3
145.06487	2.5
145.10133	1.9
147.04399	1.7
147.08041	2.9
148.05211	1.7
149.05988	12.4
151.07544	2.9
153.05486	27.0
154.07753	4.5
155.08588	2.6
159.07990	1.9
161.06078	2.4
163.07628	2.7
166.06305	2.0
169.10162	7.2
171.08092	1.9
173.06033	2.2
177.09111	9.4
179.07082	12.3
179.08582	2.3
181.08595	22.3
181.10052	2.8
183.03163	1.3
185.09624	2.3
187.07536	2.1
187.11179	2.4
191.07051	11.4
197.09602	5.5
197.66206	1.5
201.09131	4.8
203.06972	2.2
205.08630	6.3
215.10680	6.1
219.10210	1.8
225.09062	2.3
227.10732	2.5
231.10165	2.2
233.11743	37.0
243.10205	5.9
249.11224	3.9
259.13174	2.8
261.11270	2.1
277.14401	7.7
298.42020	1.6
327.02179	1.5
335.18658	2.9
401.98886	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96320	2.8
51.02381	4.3
53.03950	8.6
55.01864	7.4
55.05518	82.9
65.57617	3.4
67.04495	3.0
67.05510	15.7
67.45602	2.7
69.03442	18.3
70.06587	3.1
70.75442	7.8
72.08121	4.0
79.05483	17.3
81.03432	9.1
81.07047	13.2
83.04986	100.0
85.02916	7.1
91.05491	34.3
93.07056	15.3
93.87010	2.8
95.04972	28.7
95.08604	6.8
97.02892	15.8
103.05486	9.3
105.07026	31.4
107.04929	7.6
107.08637	5.3
109.02892	8.4
109.06506	8.2
110.68304	3.3
111.04529	4.1
115.05466	8.1
117.07018	24.7
119.04950	5.3
119.08586	16.2
121.06512	21.0
123.04501	3.9
123.08068	7.3
125.05982	4.8
128.06232	19.8
129.07024	26.4
130.07779	4.9
131.04871	3.8
131.08568	22.6
133.06494	8.7
133.10129	3.3
135.04439	14.7
137.05965	4.5
139.03871	3.0
141.06982	28.5
142.07796	9.5
143.08565	44.2
145.06480	13.2
145.10110	26.7
147.08054	24.5
149.05951	6.7
151.03958	4.9
151.07602	4.8
153.06975	16.1
154.07759	37.3
155.08574	39.9
156.09305	5.7
157.06505	10.8
157.10165	11.9
158.07269	4.7
159.08054	8.0
159.11688	9.2
161.05972	7.1
161.09595	4.2
162.89915	3.0
163.07564	4.3
165.06996	10.1
165.09137	4.6
166.07828	4.2
167.08588	21.5
169.06424	3.4
169.10127	61.3
171.08073	14.6
171.11688	7.6
171.64069	2.9
173.05969	7.6
173.09651	28.8
175.07622	4.3
175.11368	3.5
179.08528	14.8
181.06476	5.3
181.10098	4.3
182.07278	14.0
183.08076	10.0
185.09637	11.1
187.11153	15.3
189.09172	7.0
191.07022	11.1
197.09631	54.4
199.07538	8.0
199.11157	5.7
201.09175	16.0
213.09114	6.4
215.10660	46.0
219.10146	5.0
225.09120	41.4
231.10272	6.5
233.11766	8.1
243.10185	54.8
261.11230	73.6
262.11453	5.1
379.15216	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	379.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.3
55.05279	4.5
55.05519	75.3
67.05505	13.5
69.03448	17.7
69.59386	8.5
69.59804	16.4
70.49215	4.1
79.05505	11.5
81.03397	4.9
81.07061	7.4
83.04990	100.0
85.28357	3.3
91.05504	30.5
93.07043	13.5
95.04987	25.0
97.02885	7.1
97.06551	5.5
103.05480	5.9
105.07030	19.2
107.04966	8.6
107.08549	4.2
109.06487	5.8
111.04451	5.4
115.05475	11.8
117.07035	24.0
119.08584	14.6
121.02914	3.6
121.06514	15.8
123.08096	8.1
125.05969	5.5
128.06248	14.3
129.07011	25.2
131.08588	13.1
133.06479	10.7
133.09996	3.6
135.04428	6.6
135.08067	4.8
138.62991	3.8
139.03906	4.8
141.06985	21.2
142.07809	6.6
143.08580	32.8
145.06514	14.3
145.10129	15.8
147.08063	14.3
148.27379	3.8
151.07451	5.1
152.06288	5.3
153.07033	14.4
154.07791	30.5
155.08559	34.9
156.09283	6.4
157.06540	5.3
157.10124	6.2
159.08043	7.6
159.11652	5.1
161.09683	5.9
165.05620	3.7
165.07007	6.4
166.07813	5.2
167.08556	8.4
169.10165	51.7
171.08055	15.8
171.11655	6.4
173.06047	4.7
173.09634	14.5
178.07857	4.7
179.08563	14.5
181.06459	6.1
181.10168	4.0
182.07306	11.5
183.08031	8.1
185.09677	4.8
187.11212	13.4
197.09647	58.2
201.09103	9.2
215.10706	33.9
219.10289	5.8
223.33023	3.8
225.09116	32.9
233.11786	5.1
243.10172	42.8
261.11237	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	379.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.2
55.01867	7.5
55.05273	5.8
55.05518	85.1
65.03935	4.4
67.05504	8.6
67.45694	3.7
69.03410	11.1
70.10343	5.5
70.10746	9.8
79.05486	12.8
81.03403	3.2
81.07058	10.6
83.04988	100.0
91.05496	25.9
93.07063	5.8
95.04968	15.0
97.02901	5.4
97.06574	3.9
103.05501	5.7
105.07043	23.4
107.04971	7.4
115.05456	9.3
117.07031	23.9
119.08592	10.0
121.06509	13.1
123.04417	4.6
128.06218	11.5
129.07002	21.1
131.08563	14.7
133.06494	7.2
135.04379	5.0
141.07007	17.5
142.07780	9.3
143.08572	33.2
145.06499	12.7
145.10158	16.2
147.08131	18.2
152.06206	3.5
153.07024	13.7
154.07813	31.6
155.08562	38.1
156.09447	3.8
157.10141	10.2
159.08043	6.3
159.11638	4.5
161.09680	4.2
163.07535	4.0
165.07053	8.6
166.07764	6.4
167.08575	13.4
169.10130	55.6
171.08054	13.4
171.11635	4.6
173.09650	27.2
179.08510	9.8
182.07320	8.8
183.08028	5.9
185.05930	4.0
185.09663	8.5
187.11212	18.1
189.09071	4.4
191.54500	3.4
197.09625	46.8
199.07607	6.9
201.09126	23.3
213.09085	4.9
215.10693	47.3
217.08705	4.3
219.10077	6.6
225.09152	35.9
231.10324	3.8
233.11763	6.3
243.10216	47.0
261.11264	69.3
385.29483	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	379.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.8
55.05516	92.0
59.04055	3.9
65.03933	5.0
66.88548	3.9
67.05483	14.4
69.03433	16.9
69.77859	18.9
74.49739	4.6
76.53623	3.9
78.65177	3.8
79.05497	15.8
80.12513	3.4
81.07065	7.3
83.04990	100.0
91.05484	24.7
93.03418	5.7
93.07063	9.8
95.04964	18.1
97.02906	7.7
103.05469	5.6
105.07029	23.0
107.04957	13.0
110.22369	3.6
110.98583	4.1
115.05473	14.7
117.07000	28.1
119.04910	5.1
119.08546	9.3
121.06518	12.2
123.08047	5.1
128.06221	26.4
129.07010	26.9
131.08554	16.4
133.06490	6.0
134.07259	4.6
135.04404	5.7
141.06984	23.0
142.07755	7.7
143.08583	41.9
145.06480	16.5
145.10089	21.8
147.08073	23.4
152.06181	4.0
153.07008	11.8
154.07797	43.0
155.06065	4.2
155.08545	46.6
157.06511	8.0
157.10129	11.3
158.07339	5.6
159.08052	8.8
159.11719	5.5
165.07016	11.2
166.07745	5.9
167.08582	12.8
169.10143	71.6
171.08067	17.0
171.11690	9.5
173.06047	9.1
173.09579	25.3
179.08531	18.3
182.07277	11.8
183.08064	8.1
185.09686	11.8
187.11211	14.3
189.09126	6.4
197.09624	68.8
199.11081	7.7
201.09181	21.6
213.09163	5.6
215.10692	59.0
225.09131	42.9
231.10057	7.1
233.11728	4.9
243.10159	63.5
261.11240	82.6
279.12247	6.6
363.11804	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	379.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	21.8
67.05499	11.5
67.71909	7.8
68.20126	7.4
69.03441	45.1
69.61906	7.2
70.43008	25.5
79.05495	32.5
81.03403	7.0
81.07055	14.3
81.55649	7.7
83.04990	22.7
85.06512	13.9
91.05485	88.2
93.07052	31.6
95.04977	36.1
95.08583	8.5
97.02893	31.1
97.06517	12.0
103.05506	11.6
105.07045	53.8
107.04991	13.2
107.08591	9.1
109.06505	17.9
109.10184	8.6
111.08099	9.0
113.50748	6.9
115.05471	21.0
117.07024	72.0
119.04945	20.9
119.08614	45.1
121.06533	16.3
123.08050	8.3
125.05946	7.9
128.06209	21.5
129.07063	36.7
131.08569	24.1
133.06502	26.8
135.08072	20.6
141.06946	32.8
142.07764	14.5
143.08560	36.9
145.06503	33.8
145.10115	32.8
147.04424	17.0
147.07948	7.6
149.06029	14.0
151.07520	10.9
153.07021	22.7
154.07809	46.2
155.08583	36.5
156.09367	17.9
157.06392	12.3
157.10077	11.6
158.07370	9.6
159.08080	20.3
159.11707	12.5
161.06003	17.7
163.07565	52.8
165.05443	15.0
165.06976	6.8
165.09053	10.0
165.76990	7.8
166.07895	15.0
167.08565	11.4
169.10156	100.0
171.08104	17.9
173.06067	9.9
173.08316	7.5
173.09601	41.4
173.61327	8.0
179.08603	17.7
181.08591	11.1
181.10130	12.0
182.07249	23.5
183.08051	17.2
187.07458	11.6
187.11186	47.9
189.09039	17.3
197.09659	91.4
198.10187	8.7
199.07420	8.7
199.11234	17.1
201.09132	32.3
205.08643	21.2
215.10689	85.8
219.10121	12.5
221.08090	9.2
225.09099	38.2
229.12294	9.2
233.11729	11.7
243.10175	66.3
247.13451	12.9
261.11206	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.2
53.33484	6.6
54.10788	5.7
55.05507	45.4
67.05481	7.8
70.33364	19.5
70.33762	13.8
79.05481	37.3
80.30246	6.5
83.04989	59.1
91.05489	34.7
93.07034	19.5
95.04971	11.7
97.06526	19.2
99.04414	7.7
103.05503	6.7
105.07034	65.8
107.04977	14.4
107.08601	8.9
115.05480	19.9
117.07025	22.8
119.08568	11.0
121.00456	5.9
121.06495	14.4
123.04472	13.4
123.08101	9.6
128.06219	28.2
129.07028	45.0
131.04932	11.0
131.08562	27.5
133.06483	19.4
135.04453	11.7
141.06985	34.9
142.07774	16.9
143.08527	30.7
145.06476	16.7
145.10153	20.4
147.04451	7.4
147.08052	18.9
153.07002	15.2
154.07794	41.8
155.08539	39.2
156.09398	8.2
157.06528	16.6
157.10153	22.0
159.04401	9.4
159.08047	17.8
159.11765	15.0
161.05969	7.6
163.03879	12.1
165.06885	10.0
165.09140	10.7
167.08522	12.3
169.06465	8.3
169.10129	100.0
171.08012	17.2
171.11655	12.1
173.05986	8.4
173.09692	31.2
179.08553	17.4
181.10236	7.9
182.07320	17.7
183.08099	15.4
185.09772	8.2
187.07616	12.4
187.11166	43.3
197.09634	97.7
199.11224	9.4
201.09114	33.8
213.09111	19.9
215.10686	95.5
223.05878	7.8
225.09093	47.5
231.10132	18.9
233.11665	14.0
243.10188	88.6
261.11215	32.2
371.99014	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	379.1577
Annotation	Abafungin
Peak:m/z	Relative Intensity
55.05514	1.2
56.96573	0.9
60.31534	0.7
69.03429	0.9
69.32381	0.9
70.05305	0.6
70.06596	1.2
70.07256	3.4
74.06100	0.8
83.04978	2.2
85.02911	1.0
86.09718	0.9
91.05467	1.3
93.07072	0.7
97.02905	1.3
98.20836	0.9
98.97592	2.0
105.07046	1.6
116.98653	1.0
121.02843	0.8
147.04411	1.6
157.06487	0.8
160.37923	0.7
169.10162	1.3
173.75693	0.7
177.00754	0.8
177.90845	0.7
187.11281	1.3
197.09674	1.3
217.10527	9.6
234.99060	1.3
275.04636	0.7
379.15793	100.0
380.16141	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	379.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.7
53.94596	4.9
55.01862	11.3
55.05273	8.5
55.05515	99.5
55.19321	6.4
60.59396	5.3
62.60941	6.0
65.03934	9.4
67.05492	13.4
69.03413	10.1
71.12374	8.3
72.59145	5.5
79.05511	26.7
81.07054	13.2
83.04989	100.0
91.05473	40.7
93.07030	18.2
95.04957	25.3
95.08562	5.4
97.02890	8.8
97.06522	8.0
105.07056	41.0
107.04965	15.9
109.06514	8.1
115.05453	12.0
116.96983	5.5
117.07010	28.0
119.08588	15.8
121.06507	15.5
123.04420	12.8
123.08075	5.7
128.06242	28.5
129.07013	41.4
130.07770	6.6
131.05032	6.0
131.08563	25.8
133.06474	12.9
135.04420	7.7
141.06981	30.3
142.07756	16.2
143.08585	43.0
145.06491	21.8
145.10129	21.9
147.08052	13.9
149.06010	8.7
152.06250	7.5
153.06993	17.9
154.07805	46.6
155.08598	51.0
156.09258	7.4
157.10095	16.4
158.07246	6.9
159.08058	13.7
159.11705	13.8
163.07413	6.8
165.06932	10.2
166.07785	6.2
167.07272	5.4
167.08566	20.9
169.10158	90.5
171.08054	21.6
171.11606	9.9
173.05997	9.0
173.09686	34.2
179.08553	12.6
181.10059	6.9
182.07320	14.9
183.08049	12.0
185.09651	22.4
187.07483	7.2
187.11229	30.8
197.09662	73.3
199.07600	6.7
199.11229	10.1
201.09116	26.5
213.09158	13.9
215.10699	79.8
225.09132	59.1
231.10078	11.5
233.11732	11.8
243.10201	81.5
261.11227	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	377.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	9.1
55.05516	28.6
57.07058	9.7
63.28455	3.8
65.03947	5.0
67.05241	2.9
67.05513	33.2
69.07075	43.4
71.04957	3.7
71.08636	4.5
71.50475	3.4
72.66432	3.2
79.05499	34.6
81.07063	77.7
83.04987	11.6
83.08632	16.5
85.10154	5.2
89.06036	13.7
91.05489	58.0
92.05811	8.1
93.07055	79.7
93.07631	5.3
95.04983	45.9
95.08076	5.8
95.08626	70.1
97.06526	15.4
97.10150	4.6
105.07046	100.0
107.08606	46.0
109.06524	13.8
109.10172	38.3
109.37999	3.3
111.11768	3.5
115.05476	3.9
117.07046	16.7
119.08592	93.8
121.06543	18.5
121.10156	46.7
123.08044	4.2
123.11754	16.1
128.06209	8.5
129.07034	10.1
130.07791	5.9
131.08563	31.5
133.08609	4.5
133.10147	45.3
135.11719	14.3
137.13246	9.5
141.06976	9.0
142.07802	25.9
143.06972	3.4
143.08568	31.0
144.09370	5.6
145.06522	3.8
145.10130	53.5
147.08087	4.3
147.11726	27.5
149.13287	4.5
155.08519	10.7
156.09341	14.7
157.10159	41.4
158.10838	4.2
159.11678	32.0
161.09642	12.9
161.13268	14.7
163.11308	4.8
167.08481	4.3
168.09441	5.6
169.08899	3.4
169.10101	17.8
170.10925	5.4
171.11737	17.7
173.09576	4.4
173.13269	17.8
175.11128	5.1
175.14792	11.2
177.16380	11.7
178.60538	3.2
181.10060	5.3
182.10912	5.1
183.11710	17.2
185.09619	3.9
185.13239	13.5
187.11232	7.6
187.14799	7.1
189.16368	7.9
193.10074	4.4
195.12135	4.2
196.12625	3.4
197.13229	9.8
199.14836	6.0
201.12740	3.8
201.16420	5.6
203.18007	9.6
209.13257	7.1
211.14772	6.6
213.16428	5.3
219.17488	4.4
221.13269	4.7
223.14951	4.2
225.16396	6.7
237.16257	3.8
243.21013	4.8
244.27724	3.4
267.21136	4.7
377.28595	23.4
377.35522	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	378.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72529	0.4
55.05513	2.4
69.03410	0.5
70.04406	1.6
81.03467	0.5
82.06592	0.5
83.04962	1.0
83.08609	0.8
86.09712	18.6
86.95451	0.4
93.07049	1.4
100.07659	0.5
100.11271	4.6
103.05479	3.9
105.07018	0.6
111.04427	0.8
120.08113	100.0
121.08445	0.7
128.10725	7.1
136.06209	1.4
141.11510	0.5
156.10208	0.8
178.08638	0.5
182.15433	1.3
209.16573	0.6
210.14998	1.5
213.17920	0.5
223.10779	18.8
224.11009	0.4
316.17285	0.4
378.08978	0.5
378.15231	0.7
378.22375	0.7
398.32626	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	10.1
55.01866	12.9
55.05515	65.5
57.03425	17.9
57.07079	68.3
66.71456	6.5
67.05509	41.8
67.36470	7.5
69.03424	14.4
69.07066	20.5
69.71604	44.1
71.04990	7.8
74.85935	7.5
75.05015	6.9
79.05494	39.8
81.07060	49.6
83.04984	99.5
85.06567	12.3
91.05482	71.9
93.07057	44.0
95.04969	100.0
95.08617	33.8
97.06523	41.0
103.05476	10.6
105.07035	64.0
107.08601	33.5
109.06511	15.9
109.10183	16.2
111.04434	10.3
117.07020	53.1
119.04980	13.4
119.08580	43.0
121.06525	7.7
121.10166	15.2
125.05951	8.5
128.06244	18.5
129.07001	29.1
131.04930	11.1
131.08565	45.1
131.69321	7.7
133.10138	13.7
135.08081	14.7
137.06030	10.1
141.06958	23.0
142.07803	22.3
143.08566	34.4
145.06500	15.1
145.10112	38.6
147.08072	18.0
147.11807	8.8
149.05949	10.0
153.05495	15.6
153.06998	13.5
155.08575	21.3
156.09325	9.1
157.10127	26.2
159.08124	17.9
159.11717	47.8
161.05992	10.6
163.07556	19.8
165.05496	8.2
167.08534	13.6
169.06522	9.3
169.10156	22.6
171.08095	17.1
171.11722	16.2
173.05872	10.9
173.09647	16.9
175.07573	17.1
175.11217	10.0
177.09123	12.9
178.33298	9.3
179.07045	18.6
181.10126	16.7
183.11758	16.6
185.09621	21.4
185.13142	11.2
187.07578	29.0
189.09145	12.3
189.12895	12.6
195.08188	10.5
197.13254	18.3
199.07617	15.5
199.11157	15.6
199.14856	9.4
201.09151	10.4
203.10815	8.9
211.14920	9.2
213.09085	29.7
215.10741	14.0
219.10274	15.9
231.10181	13.9
233.56613	9.1
234.71632	7.4
241.08624	11.0
243.10204	12.8
245.11761	11.0
247.09680	22.9
247.13348	8.1
253.19458	10.4
257.11697	9.5
275.12799	61.4
281.19131	12.3
299.20102	10.9
320.45538	8.8
377.08640	7.6
377.19873	9.5
377.24817	17.4
397.93405	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	377.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.01872	4.5
55.05502	5.1
57.03441	8.0
58.80560	1.5
61.02920	5.4
67.05499	6.9
68.15372	1.5
69.03439	9.9
69.07063	3.8
69.95815	3.6
69.96207	3.3
70.06588	4.9
71.04989	2.6
73.02926	9.1
74.10001	1.3
79.05498	4.6
81.03426	4.4
81.07052	5.7
83.04977	6.3
85.02909	15.0
91.05489	4.6
93.07043	5.3
95.04963	6.6
95.08596	3.6
97.02894	12.1
97.06522	3.7
98.20779	1.9
99.04433	2.0
103.03961	9.3
105.07023	4.5
107.04926	3.0
107.08587	3.5
109.06515	3.9
109.10110	2.0
110.09707	1.7
110.61111	1.5
111.04440	3.3
115.03968	2.4
116.10767	1.9
117.07027	2.1
119.08591	2.5
120.08105	5.6
121.06513	14.1
123.04425	4.0
123.08099	1.7
125.05985	5.3
128.06229	1.8
129.05505	3.7
129.07010	3.2
131.08614	3.7
133.04982	1.8
133.06494	1.7
133.10127	1.6
135.04431	66.7
135.08032	3.0
137.05963	10.1
138.09146	9.5
139.07581	1.9
141.05508	3.0
143.07056	2.8
143.08528	3.4
145.06461	3.2
145.10162	9.3
147.08038	2.6
149.05971	1.7
149.09596	3.4
151.07545	7.1
155.08591	4.9
157.10106	4.3
158.07262	3.5
159.06586	3.5
159.08083	5.1
159.11729	2.6
161.06053	8.7
161.09636	3.8
162.06740	2.0
163.07567	8.1
163.11089	2.2
169.08617	1.9
171.08066	4.0
172.08774	3.6
173.09656	19.1
174.06766	6.3
174.10158	1.7
175.07570	28.4
175.11160	4.6
176.08318	7.2
177.05438	2.6
177.09117	11.2
183.08084	1.9
184.70837	1.5
185.05991	2.6
185.09572	7.3
187.07599	7.7
187.11136	3.8
188.08313	3.6
189.09132	28.9
191.10692	100.0
192.10992	1.8
197.09641	2.5
198.06757	2.9
199.07520	9.5
199.11224	2.7
200.08336	3.0
201.09125	35.6
202.09813	1.6
203.10646	4.6
209.09650	2.3
211.07497	2.3
211.11183	2.5
212.08415	4.2
213.09108	13.0
213.12701	2.5
214.06300	3.2
214.09891	7.1
215.10684	18.4
215.14182	3.5
216.11411	2.0
217.12230	21.9
219.13785	2.8
225.09132	3.4
225.12711	2.9
227.10811	7.2
227.14314	19.4
228.11436	1.6
229.08653	4.0
229.12244	37.7
229.15901	4.9
231.10211	6.1
231.13817	21.8
239.10661	4.7
241.08636	2.1
241.12360	4.3
243.10152	7.6
243.13820	27.1
245.04485	5.2
245.15398	40.1
255.10284	2.5
255.13800	11.6
257.11655	2.6
257.15390	43.1
267.10220	3.1
267.13806	3.3
269.15427	9.3
273.11246	2.7
281.15469	1.6
285.11212	6.5
287.16431	2.5
294.78876	1.6
295.16772	2.9
299.16483	9.9
303.12332	15.7
311.16391	9.0
323.16498	9.3
329.17487	6.8
341.17514	12.9
345.10553	2.8
359.11755	1.7
359.18677	25.7
360.18570	2.1
377.15543	2.0
377.19754	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	377.196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93985	2.4
53.40768	3.2
55.01873	4.7
55.05505	8.1
57.03432	13.1
57.07076	4.1
61.02921	4.1
67.05503	10.7
69.03419	10.6
69.07069	5.1
69.43458	19.6
70.06575	4.3
70.19991	2.7
71.04982	3.0
71.08634	4.8
73.02917	7.4
79.05498	6.1
81.07059	8.4
83.04981	5.7
85.02913	41.4
85.03397	5.1
91.05467	6.9
93.07052	6.5
95.04973	3.6
95.08598	7.9
97.02905	9.7
97.06558	3.8
103.03937	17.6
105.07039	11.6
107.08611	3.2
109.06503	2.9
109.10165	8.3
117.07053	2.5
119.08592	5.3
120.97305	2.6
121.06508	5.5
123.04469	3.2
123.08118	4.0
125.06052	3.8
127.11205	3.2
128.06221	7.0
129.06984	5.3
131.08633	4.5
135.04430	13.2
135.08031	3.7
137.05978	6.7
143.08583	5.7
145.06485	5.3
145.10138	12.1
147.08034	7.0
147.11716	2.9
149.05901	3.6
151.07565	15.0
155.08575	6.7
158.07288	6.6
159.08044	12.3
159.11646	5.2
161.05937	13.7
161.09569	7.2
163.07532	5.1
169.10135	7.3
171.08043	4.6
172.08835	4.8
173.09644	23.1
175.07550	40.2
175.11208	5.7
176.08264	4.3
177.09079	7.8
183.08081	7.2
185.09604	7.7
186.06789	3.8
187.07581	10.5
187.11151	8.6
189.09084	28.3
191.10680	44.8
197.09605	6.6
199.07556	8.5
200.08269	6.6
201.09116	71.1
202.09880	3.9
203.10725	12.6
211.11301	4.1
212.08278	4.3
213.09106	16.7
214.09941	7.5
215.10658	41.6
217.08565	3.7
217.12280	11.4
225.09094	5.0
226.09808	3.1
227.10687	11.2
227.14317	9.9
228.11523	4.7
229.12231	26.8
229.15834	8.9
230.13036	2.7
231.10350	5.9
231.13814	12.8
239.10834	4.3
241.08641	5.5
241.12280	7.3
243.10146	20.9
243.13762	17.8
245.15392	100.0
246.15936	3.9
257.11765	9.1
257.15375	99.6
269.15369	11.5
273.11285	4.4
285.11234	15.9
295.16794	3.0
299.16425	36.8
303.12350	20.8
311.16425	5.9
323.16339	17.3
329.17389	4.7
341.17462	36.5
359.18573	59.8
377.14996	5.2
377.19617	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	377.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79044	5.0
55.01870	15.6
55.05493	7.1
63.09313	4.2
67.05494	7.5
69.03441	4.6
69.07059	17.3
69.34613	6.0
69.35021	29.5
79.05495	10.4
81.07066	10.9
83.04997	4.5
85.06541	8.7
87.17387	4.6
91.05463	7.1
93.07051	28.2
95.04967	5.5
95.08603	17.8
97.06531	15.9
99.04456	6.5
103.85703	4.3
105.07040	11.7
107.08599	31.6
109.06499	7.8
110.14037	4.1
110.57041	4.3
111.08101	4.6
121.06512	10.7
121.10156	12.6
123.08057	10.3
131.08522	4.9
133.32573	4.0
135.08035	5.0
135.11728	4.4
137.05997	6.2
145.10129	13.2
149.09618	8.3
151.07596	14.2
163.11221	34.4
167.10690	17.6
169.08623	100.0
181.12233	14.4
185.11841	6.5
191.10664	15.4
209.11789	16.8
216.56198	4.2
227.12828	49.8
228.70432	6.0
229.04918	4.8
285.03891	5.7
299.14850	7.4
377.08923	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	377.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08679	5.6
55.05276	5.9
55.05519	88.2
56.74421	5.0
57.07072	4.9
57.17110	5.2
58.62391	6.0
59.41908	5.8
67.05499	16.6
69.03420	14.2
69.23421	54.5
71.04997	15.4
79.05492	10.5
81.07072	14.9
83.04990	100.0
85.06551	5.9
85.80026	5.6
91.05477	26.7
93.07031	15.2
95.04967	18.0
95.08606	10.1
97.02895	8.9
98.20683	12.0
102.05548	8.7
102.89771	6.2
103.05455	8.9
105.07013	20.3
107.08594	10.9
109.06514	20.8
109.10133	9.8
115.05436	8.1
117.07020	17.8
119.08577	14.3
121.06540	11.3
127.11197	17.4
128.06223	25.7
129.07005	22.3
131.08620	8.8
133.10110	9.4
135.04379	7.9
135.08047	11.5
137.05986	40.8
141.06990	22.2
142.07780	38.4
143.08589	35.1
145.06506	17.9
152.06178	32.2
153.07008	20.6
154.07759	20.5
157.10141	31.4
159.08049	18.4
159.11726	10.9
161.06017	6.3
161.09630	7.2
163.07518	12.0
165.06995	12.2
167.08582	51.3
169.06429	7.8
169.10141	14.0
170.07275	7.3
171.08081	24.2
173.09602	8.6
175.07568	6.4
177.09097	9.3
185.09619	48.2
189.09192	10.9
195.08063	52.3
197.09645	7.0
199.07503	16.6
213.09119	63.8
215.10504	7.4
217.08659	6.4
223.07582	26.2
229.12427	6.9
231.10100	18.9
241.08562	27.0
259.09616	15.7
266.12598	5.9
277.10657	17.1
301.17987	11.5
345.20551	9.9
377.24881	11.5
395.12466	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	377.1599
Annotation	threo-Guaiacylglycerol beta-coniferyl ether
Peak:m/z	Relative Intensity
50.49817	0.7
51.02382	1.2
53.03952	3.9
55.01863	2.3
63.98406	0.8
65.03940	2.0
67.02773	0.7
67.05503	1.6
68.99786	1.7
69.03426	4.2
69.03741	0.8
69.45567	5.2
71.01368	4.7
77.03941	1.2
79.05493	8.3
81.07073	0.8
85.02910	1.4
91.05496	6.9
92.02635	1.7
93.03416	1.0
93.07036	2.1
94.04195	0.7
95.04975	7.0
103.05479	14.9
105.04530	1.8
105.07031	5.3
107.04967	37.6
107.08620	2.0
108.02072	1.3
109.02879	1.0
109.06455	1.0
111.04426	1.7
115.05439	4.4
116.62868	0.8
117.07011	1.9
118.04187	1.2
119.04938	3.0
120.05672	1.0
121.06517	5.9
123.04415	3.1
125.06011	5.0
128.06250	1.1
129.07018	1.0
131.04956	3.9
133.02821	2.3
133.06479	1.8
135.04433	100.0
135.08069	8.9
136.04787	1.3
137.05991	16.6
138.06709	1.6
145.06494	2.3
145.10095	1.0
146.03622	1.2
147.04420	2.4
149.05992	8.1
150.06723	3.1
151.03926	49.0
151.05045	4.7
151.07532	3.2
153.05443	4.6
159.04413	1.1
161.05989	9.2
161.09612	1.9
163.03879	2.3
163.07555	49.2
165.05486	2.8
165.09148	0.8
167.07034	4.8
167.08295	0.9
169.06447	0.9
175.07549	3.8
177.05507	5.7
177.09067	2.1
178.06268	13.6
179.07062	2.9
181.08623	23.0
181.10207	1.5
182.09344	2.0
189.05469	1.9
189.09126	5.8
191.07013	1.5
195.06517	5.5
195.08009	1.0
196.07356	7.1
201.09042	1.2
203.07042	2.4
207.10153	5.3
217.08572	2.0
219.06557	3.3
231.10123	1.3
235.09592	1.1
237.09088	1.0
241.08972	0.8
245.04503	5.8
255.10307	2.2
257.08289	1.6
261.07578	1.0
263.05594	5.6
273.11243	2.8
283.09857	1.0
283.13318	1.7
317.06522	1.0
327.12241	1.6
329.13852	2.1
345.06308	1.3
359.15186	1.0
377.12848	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	377.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43715	1.6
53.03933	7.1
55.01878	2.4
55.05517	77.3
65.03942	2.1
67.05499	5.4
69.03445	2.5
69.07088	2.5
69.72045	3.3
69.72452	6.5
71.05002	1.8
77.03955	2.2
79.05502	8.6
81.03407	2.1
81.07065	4.2
82.00747	1.8
83.04987	100.0
85.02922	1.9
91.05479	14.2
93.03401	1.9
93.07045	6.8
95.04964	11.9
95.08611	3.0
97.06525	3.2
99.04479	2.5
103.05463	3.1
105.07038	11.8
105.68636	1.6
107.04961	3.9
107.08603	3.0
109.02858	1.8
109.06528	3.6
111.04453	14.1
115.05471	6.1
117.03416	2.2
117.07051	8.6
119.04939	4.7
119.08572	4.3
121.06516	5.4
121.10117	2.8
123.04487	2.9
128.06207	12.5
129.07048	10.1
129.12747	2.5
129.97720	1.7
131.04984	2.8
131.08574	5.3
133.06488	6.2
135.04408	4.2
135.08064	8.1
137.06000	5.4
141.06982	8.6
142.07800	13.6
143.08621	9.1
145.02876	3.2
145.06482	6.7
145.10139	2.7
146.55307	1.7
147.08061	3.0
149.05992	3.2
152.06232	7.0
153.07016	2.7
154.07860	3.1
154.09079	2.1
155.08557	6.2
157.06531	2.6
157.10110	8.3
159.08115	7.5
161.06047	4.2
163.03899	4.0
163.07561	5.0
165.05569	1.9
165.06999	3.1
166.07722	1.9
167.08568	10.6
169.10138	3.6
171.08012	9.3
171.11795	2.1
173.06097	2.0
173.09602	3.1
175.07619	3.2
177.09135	2.0
179.08578	2.0
182.99170	2.3
184.08804	2.0
185.09628	23.4
187.07584	7.4
189.09171	3.4
195.08058	11.5
198.09090	2.1
199.07549	4.9
201.09142	3.8
203.10686	2.5
205.08588	2.8
213.09135	22.3
214.09311	1.8
215.10840	2.5
217.08669	4.3
219.10266	2.4
223.07585	3.4
231.10168	9.3
241.08662	12.3
259.09702	13.0
277.10806	5.7
332.01807	1.9
347.03952	11.5
359.14709	4.0
359.18686	3.7
362.06366	2.9
377.08655	16.8
377.15784	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	377.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
54.75096	1.0
55.01864	2.1
55.05515	71.9
57.03421	1.9
65.03948	1.0
67.05493	3.1
69.03419	1.9
71.04995	1.2
71.21133	2.7
78.96547	1.0
79.05492	4.1
81.07053	2.4
83.04987	100.0
91.05492	6.7
93.07032	1.6
95.04961	4.0
95.08588	1.3
103.05461	1.6
105.07035	5.9
107.05009	3.0
107.08578	3.2
109.06554	1.4
111.04405	2.8
115.05464	4.0
117.07010	3.3
119.08571	3.3
121.06535	3.1
125.09644	1.9
128.06223	7.5
129.06970	7.0
131.08592	3.9
133.06514	2.6
133.10135	1.5
135.04413	1.8
137.05968	1.8
140.10500	1.0
141.06992	4.0
142.07788	9.9
143.08562	8.8
145.06482	8.5
145.10152	1.8
146.07323	1.7
147.08046	3.9
149.05943	1.3
152.06213	3.8
153.05588	1.3
153.06984	2.9
154.07779	1.7
155.06131	1.3
155.08513	3.3
157.06483	4.5
157.10173	7.1
159.08067	9.6
161.09657	3.2
163.07567	2.2
165.05537	2.1
165.06921	2.2
166.07678	1.7
167.08560	11.3
169.06483	3.1
169.10112	1.4
170.07246	3.1
171.08066	11.8
173.06021	2.3
173.09621	1.4
175.07510	3.5
175.11185	2.0
177.09190	1.4
183.08081	3.8
185.09627	29.9
185.11282	1.7
187.07614	2.4
187.11342	1.4
189.09099	7.0
191.07062	2.0
195.08058	5.2
198.06812	1.2
199.07555	2.8
199.11166	1.7
201.05486	1.7
201.09097	2.4
203.10687	3.2
205.08656	2.6
213.09135	23.5
215.10670	1.7
217.08611	8.1
219.10201	3.1
227.10701	1.4
229.12186	2.2
231.10168	15.8
241.08592	9.0
245.11676	1.5
259.09692	14.3
259.13315	3.7
277.10687	1.6
279.12250	1.6
317.17368	1.5
319.15421	3.1
377.12073	2.0
377.19800	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	377.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88409	4.0
53.03952	6.6
55.01878	8.0
55.05515	89.2
55.05761	3.4
57.07060	5.7
60.04559	4.1
61.70191	3.8
65.03925	5.7
67.05496	21.0
69.03435	27.0
69.07076	25.0
69.56098	16.2
69.56512	11.4
71.04993	7.3
73.06591	3.9
75.19230	3.8
75.25311	4.6
79.05496	17.4
81.07066	21.0
83.04982	100.0
85.02909	10.6
87.00836	7.1
91.05474	21.6
93.07053	15.2
95.04992	16.5
95.08596	7.8
97.02904	19.1
97.06527	10.2
97.10140	5.3
99.04494	4.5
105.01899	4.5
105.07036	24.4
107.04945	12.5
107.08598	11.9
109.06522	27.6
109.10152	14.7
111.11719	13.2
115.05447	13.8
117.07014	21.6
119.04944	5.6
119.08582	13.9
121.06519	12.4
121.10168	6.1
123.04472	6.5
123.08049	4.5
125.06004	8.1
125.09657	12.7
126.72150	4.0
127.11182	8.5
128.06232	30.9
129.07008	27.4
129.12732	23.1
131.08582	13.8
133.06473	7.8
133.10129	6.7
135.04414	4.1
135.08104	4.4
135.11664	4.8
137.05954	41.7
141.06989	22.7
142.07787	41.8
143.08594	29.4
145.06493	16.7
145.10172	5.8
147.04370	4.9
147.08076	15.9
149.05989	5.1
152.06203	51.6
153.05524	8.2
153.06990	18.5
154.07785	20.1
155.08516	6.0
157.06453	6.2
157.10120	29.5
159.08089	14.4
159.11734	7.2
161.09622	12.1
165.07071	14.0
167.08553	51.2
169.06483	7.6
169.10158	18.7
170.07283	11.7
171.08081	21.9
173.05994	8.6
173.09700	6.8
175.07539	10.4
175.11249	5.1
177.09122	8.9
185.09615	51.4
187.07556	7.4
189.09152	11.8
191.07016	5.5
191.10657	6.5
195.08070	57.5
199.07544	10.0
201.09099	5.5
203.10678	9.7
207.13846	12.4
213.09143	53.6
215.10658	12.0
217.08574	11.8
217.12196	5.1
219.10254	6.4
223.07433	21.6
227.10706	5.4
231.10165	17.1
241.08670	20.3
243.10115	4.4
245.11626	5.3
245.15462	5.4
259.09637	25.2
261.11288	9.7
275.13052	6.6
315.19662	5.9
345.40268	4.7
359.18475	6.8
377.19562	26.7
377.23773	7.2
400.93097	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01875	3.3
55.05272	1.6
55.05515	24.1
57.03439	1.3
57.86969	1.1
59.70647	1.1
61.02919	3.7
61.47573	1.3
63.06009	1.1
67.05507	3.2
67.68980	1.1
68.99792	7.5
69.03426	2.1
69.97868	5.1
71.01353	2.7
71.05016	1.6
75.04470	4.3
79.05499	2.3
79.52134	1.1
81.03407	2.4
81.07046	2.3
83.01346	1.6
83.04493	1.8
83.04987	36.7
85.02905	4.3
87.00828	7.3
91.05486	4.5
93.07056	3.5
95.04976	4.1
97.02893	2.4
97.06506	1.5
99.04427	1.7
105.07034	3.7
107.04964	3.8
109.02887	2.0
109.06495	1.8
111.04430	4.8
113.06018	1.1
115.05472	7.6
117.07024	6.4
119.04958	2.3
119.08544	2.9
121.02882	6.4
121.06509	5.8
127.03928	3.1
128.06227	7.6
129.01839	2.9
129.05545	1.3
129.06972	7.4
129.25111	1.2
130.07751	1.9
131.01723	1.2
131.04919	4.1
131.08586	4.0
133.06476	1.9
135.04434	1.5
135.08124	1.5
136.60666	1.1
137.05986	3.0
141.07001	9.7
142.07782	5.2
143.08553	6.4
144.05721	6.9
145.02855	100.0
145.06503	6.2
145.10173	2.1
146.03189	1.7
146.07239	1.6
147.04437	1.6
147.08110	1.7
148.05226	2.0
152.06216	5.8
153.06937	3.0
154.07797	2.6
155.04860	1.7
155.08530	2.2
155.20596	1.2
157.04971	9.2
157.06485	4.3
157.10155	5.1
158.07300	10.1
159.04385	1.3
159.08080	4.7
160.05217	1.5
161.06000	18.4
161.09563	1.5
162.06773	2.8
163.07529	2.6
165.07047	3.5
166.07675	1.6
167.08571	11.3
168.05688	1.4
169.06462	6.2
169.10114	1.6
170.07227	6.1
171.04439	3.3
171.08049	9.3
172.05270	2.6
173.04466	3.1
173.05898	2.0
173.09631	5.0
174.06798	5.6
175.07567	11.1
175.11134	1.9
177.05508	11.0
177.09091	5.8
181.06516	3.5
182.02002	1.5
182.07292	1.4
183.02887	2.5
183.08096	3.3
184.08867	2.6
185.04454	3.9
185.05991	3.1
185.09581	8.3
186.06662	5.7
187.07553	22.4
188.04755	3.4
189.05495	4.2
189.09160	7.5
190.06354	2.0
191.07076	4.5
194.07086	1.5
195.08049	10.9
197.04440	8.6
197.06027	3.6
197.09547	2.0
198.06744	1.6
199.03902	3.0
199.07549	5.3
199.11200	2.1
200.03120	1.7
201.05525	1.8
201.09109	45.6
202.09750	2.2
203.07104	2.5
203.10683	6.7
209.09560	1.4
212.08362	3.5
213.09120	15.6
214.06274	4.8
215.07060	2.0
215.10698	5.3
217.04999	7.4
217.08574	3.0
217.12354	1.4
223.07547	2.5
225.09068	1.4
227.07079	3.2
227.10695	23.6
229.08621	7.0
231.10182	7.9
232.07307	16.4
233.07927	1.5
237.09123	1.9
237.73274	1.2
240.07901	1.7
241.03442	15.1
241.08641	4.8
243.10155	2.8
245.11748	2.4
253.08574	1.4
255.10188	17.1
259.09717	6.9
261.11304	1.6
273.11224	53.9
277.10693	2.1
291.12231	4.0
301.07187	4.3
319.15335	1.8
327.04736	1.5
331.08121	2.7
345.06140	1.7
359.07663	10.6
359.15030	1.4
377.08337	2.3
377.12390	2.5
377.24927	1.4
379.94919	1.3
381.50540	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1457
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
52.87770	0.5
53.03931	1.9
55.01867	0.7
57.03444	7.9
59.04973	0.7
61.02941	2.7
69.03434	15.3
69.23154	4.3
69.23564	1.1
70.06544	0.7
71.01359	2.8
71.04991	3.5
72.08138	0.6
73.02905	2.4
75.04475	1.9
78.43911	0.5
81.03415	3.8
84.04514	0.7
91.05449	0.8
99.04453	5.0
117.05478	0.9
120.08064	0.9
121.02840	0.6
121.06438	0.6
145.07628	3.2
151.03870	0.8
151.07495	0.6
157.06404	0.9
157.07625	0.6
170.07115	1.3
172.08711	33.1
173.09134	0.6
175.07518	0.6
177.09132	0.8
184.08601	0.6
189.09113	0.6
190.09763	1.3
191.10619	2.0
197.09660	0.9
198.06642	8.4
200.08261	6.2
211.13397	0.7
212.13596	0.7
214.09753	0.8
216.07681	18.0
217.12207	0.9
225.07759	0.6
229.12038	0.7
231.59723	0.6
243.08792	77.4
244.06973	0.8
244.09155	0.8
277.26672	0.6
333.17493	1.0
359.13474	3.8
359.18619	1.0
377.14572	100.0
378.14984	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	377.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83729	1.1
53.03935	2.2
58.93736	1.1
63.32878	1.3
71.41606	2.0
75.04478	2.6
81.65397	1.1
95.04980	1.5
125.05997	2.3
132.05717	77.5
135.04434	43.8
135.05429	1.2
143.03401	1.4
145.06447	1.6
147.06743	1.4
157.02870	2.5
159.04393	3.3
161.05920	1.5
172.05205	14.1
175.07532	3.4
190.06306	2.0
197.02280	2.1
200.04697	9.5
203.07233	1.4
215.07048	9.5
218.05840	2.4
228.04182	26.1
234.84206	1.2
243.06596	7.6
256.03732	5.7
271.05838	2.7
274.04715	20.0
284.03140	16.1
292.68439	1.3
299.05563	2.3
301.06931	1.4
302.00784	2.3
302.04230	45.5
304.71432	1.2
316.05719	14.3
317.06595	16.4
331.08142	100.0
332.08441	3.2
360.68655	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0868
Annotation	Limnophilaspiroketone
Peak:m/z	Relative Intensity
53.03940	0.6
55.01862	0.6
55.05511	8.0
59.01377	0.4
63.02375	0.7
67.05475	0.6
68.99791	1.6
69.03419	0.6
70.81484	0.8
71.01353	1.1
75.04489	1.9
79.05491	0.8
81.03405	0.6
81.07074	0.4
82.28957	0.4
83.01343	5.0
83.04488	0.6
83.04982	12.0
85.02899	0.6
88.52578	0.3
89.03906	1.4
91.05470	0.8
95.04949	0.7
96.02106	0.4
97.02904	0.3
99.04453	1.0
103.05437	0.6
104.85232	0.4
105.07026	1.3
109.02876	2.3
111.00854	0.4
111.04440	0.6
113.06026	0.6
115.05432	0.6
117.01817	0.4
117.07007	0.9
118.04175	0.9
119.04932	0.7
119.08593	0.4
121.02864	8.5
121.06514	0.5
127.03922	1.5
128.06224	1.2
129.05498	0.6
129.06995	1.2
131.03323	0.4
131.04919	0.7
131.08565	0.6
131.54407	0.4
135.08046	0.5
137.05994	0.5
139.00237	0.7
141.06978	0.9
142.07797	1.0
143.08568	0.8
145.02849	100.0
145.10138	0.5
146.03197	1.3
147.04372	0.5
147.08061	0.5
153.01833	1.5
153.07047	0.4
155.08569	0.8
157.04980	8.0
157.06322	0.6
157.10133	1.1
158.03592	0.5
159.08058	0.9
160.05397	0.4
161.05977	3.1
163.03900	0.4
167.08562	1.0
169.02907	0.4
170.07268	0.5
171.02972	0.5
171.08005	2.1
173.04466	2.9
173.05927	0.9
175.07484	0.5
177.05479	8.8
177.06898	0.7
177.09094	0.7
182.02097	1.4
183.02925	2.3
183.04288	0.4
185.04478	3.9
185.09618	2.1
185.73166	0.4
186.03128	0.5
187.03978	0.5
187.07573	1.2
189.09138	0.7
195.07941	0.6
197.02620	0.5
197.04433	7.7
197.06100	0.6
199.04037	0.5
199.07510	0.9
200.03128	1.9
201.05482	1.0
201.09134	1.1
203.10809	0.4
213.00266	1.2
213.09129	3.5
215.03476	1.0
215.07091	0.5
215.10674	0.6
217.08612	0.8
229.04999	3.6
231.02954	0.4
231.10213	1.1
241.03424	14.8
241.08485	2.5
257.04468	4.7
259.06070	0.5
259.09714	1.4
271.02417	1.1
273.03870	0.4
273.11301	1.2
285.03903	3.3
286.04703	0.9
287.08984	0.4
299.05536	0.5
301.07071	5.6
303.05020	2.9
313.03546	0.6
315.08615	0.8
317.06583	2.1
327.04929	1.6
331.08130	3.5
345.06061	10.3
346.06412	0.4
359.07645	10.4
374.55905	0.4
376.24966	0.7
377.08612	1.8
377.24905	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	11.1
67.05503	10.7
68.05043	6.1
69.03410	5.8
69.07075	6.1
69.44335	31.9
69.44746	8.6
70.06565	5.5
79.05481	16.4
81.03428	36.8
81.07055	19.4
83.04968	14.6
83.08630	13.9
84.04502	77.5
85.02896	13.0
91.05488	18.4
93.07030	16.3
95.04963	16.0
95.08623	7.3
96.04494	21.5
102.05529	24.1
105.07029	6.4
110.87312	4.5
113.87998	4.3
114.05523	6.0
119.08582	10.8
121.10144	11.7
124.03965	6.7
126.05506	5.9
130.05000	69.9
131.08560	8.0
133.10104	6.0
147.07588	5.3
147.11723	8.0
148.06059	100.0
149.09631	18.9
157.10153	6.6
163.75647	5.8
175.11128	8.9
193.12230	38.7
193.13788	6.1
204.13837	7.7
211.13284	96.8
222.14949	9.1
250.14384	50.0
268.15518	19.8
280.91663	5.5
282.22202	4.7
286.16544	6.7
314.16040	13.9
332.16953	16.6
358.18414	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	376.2483
Annotation	Tuberostemonine
Peak:m/z	Relative Intensity
55.05491	0.2
56.05030	0.5
58.06604	1.2
59.71669	0.1
67.05500	0.4
70.06587	0.2
70.40639	0.1
72.04522	0.2
74.06082	0.4
77.68620	0.1
79.05499	0.5
79.18391	0.1
80.05008	0.2
81.03406	0.2
81.07061	0.8
83.04976	0.2
86.06073	2.3
88.07630	0.1
90.05520	0.1
91.05488	0.6
92.05804	0.1
93.07050	0.6
95.08629	0.7
96.08163	0.1
97.02866	0.1
98.06036	0.2
105.07037	0.8
107.08590	0.6
108.08105	0.2
109.10123	0.4
112.07634	0.3
116.07144	0.1
117.07033	0.2
119.08583	0.6
120.08146	0.2
120.72344	0.1
121.10145	0.5
124.07607	1.0
129.07018	0.2
130.08675	0.1
131.08559	0.4
133.10143	0.5
135.11661	0.2
136.07591	0.3
137.09599	0.2
138.09119	0.3
143.08524	0.2
145.10098	0.3
147.11702	0.5
149.13240	0.1
150.09122	0.1
154.08630	0.6
156.09000	0.1
157.10074	0.3
159.11710	0.3
161.09616	0.2
163.11179	0.2
166.07350	0.3
169.10086	0.2
171.11742	0.1
173.13255	0.1
175.14856	0.2
177.09113	0.1
184.08340	0.2
190.12289	0.1
203.06866	0.2
211.07147	0.1
212.07872	0.2
216.03697	0.2
216.07446	0.2
230.08829	0.2
244.10463	0.2
254.08917	0.1
271.09735	0.1
272.10074	1.0
290.11023	0.2
292.11243	0.1
304.19260	0.1
309.36694	0.1
314.21271	0.2
345.23010	0.2
346.24017	0.3
376.24838	100.0
377.25165	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	375.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18927	1.0
53.03955	5.4
55.01878	8.5
55.05513	26.9
57.07078	16.9
65.03941	3.5
67.01858	1.3
67.05508	47.8
68.99796	53.1
69.03424	2.1
69.07072	33.1
69.18914	4.8
69.19338	4.9
71.01347	1.1
71.04991	1.1
71.08631	7.2
79.05495	17.7
79.05920	1.7
81.03427	10.4
81.07060	62.0
83.04994	14.5
83.08626	23.3
83.83763	0.9
85.10187	3.8
87.00910	1.4
91.05492	13.4
93.07045	14.0
95.04980	9.7
95.08611	55.7
97.06540	8.0
97.10183	12.7
99.04453	1.7
102.16821	1.1
105.07029	13.6
107.04951	3.4
107.08601	9.6
109.02860	1.7
109.06529	4.0
109.10168	26.2
111.00809	100.0
111.04446	7.9
111.08102	2.6
111.11751	7.0
113.06042	0.9
117.07013	2.1
119.08569	11.2
121.06557	2.5
121.10152	8.2
123.04461	5.6
123.08072	4.9
123.11719	11.5
125.06030	2.8
126.03101	1.3
127.02968	2.0
127.03925	42.2
128.06290	1.4
129.07066	1.4
131.08604	3.1
133.06512	1.3
133.10139	12.2
135.08084	2.0
135.11728	3.6
137.06026	2.9
137.09621	3.0
137.13309	4.7
139.03914	40.4
139.07608	1.6
143.08607	2.3
145.10143	3.5
147.04393	1.0
147.08051	2.3
147.11736	5.7
149.06001	3.8
149.13277	2.4
151.03918	2.2
151.07585	2.3
151.11192	1.1
151.14879	3.0
153.05499	2.1
153.09088	1.7
157.10136	2.7
159.11690	1.9
161.06032	2.1
161.09564	2.9
161.13293	3.9
163.07571	1.2
165.05511	2.7
165.16446	2.9
167.07071	2.7
167.10628	1.5
169.01396	1.1
171.11720	1.3
173.09642	1.2
173.13431	0.9
175.07550	2.1
175.11237	2.0
175.14873	1.5
176.38049	1.0
177.12785	1.3
179.07060	3.4
179.10747	2.6
179.17941	1.2
181.08615	1.7
189.09023	1.2
189.12770	1.1
193.08656	2.7
193.12259	2.0
193.19452	1.2
195.10196	2.4
195.11816	1.2
197.00885	1.0
203.10808	1.7
203.17949	1.3
207.10199	3.8
209.11765	2.6
217.12123	1.4
221.11806	3.6
223.13339	2.3
235.13359	4.1
235.24332	1.0
237.14650	1.9
249.14905	5.1
249.18604	1.6
249.25882	4.0
251.16399	2.6
263.16443	5.5
265.18076	1.7
273.25818	5.7
277.18161	3.2
279.19565	1.8
291.19620	5.3
291.23813	1.6
291.26639	7.2
293.21460	2.0
303.65018	1.0
305.21191	3.8
307.29919	2.0
315.26917	2.9
319.22562	1.9
327.05301	1.2
333.27823	7.6
345.06158	3.8
345.59174	1.1
357.28024	2.8
375.10837	7.5
375.29034	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	375.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56702	2.4
53.03944	11.0
55.01864	2.8
55.05513	16.0
57.07082	4.2
63.10654	2.1
65.03924	4.3
67.05510	25.0
69.03420	2.5
69.07066	15.0
71.04990	2.6
71.28831	3.2
79.05499	34.3
81.07059	50.8
83.04984	2.6
83.08604	5.8
91.05484	62.7
93.06488	4.9
93.07048	71.6
93.07631	4.1
95.04967	40.2
95.08613	45.0
97.06520	9.9
97.67207	2.1
101.39863	2.2
103.05463	7.3
105.04521	4.6
105.07034	100.0
107.08597	42.0
109.06499	8.0
109.10151	25.2
116.06223	2.8
117.07007	19.6
118.07790	2.7
119.08582	76.2
121.06516	18.0
121.10152	71.5
121.11031	3.6
123.08081	6.0
123.11715	7.0
126.65320	2.1
128.06223	9.0
129.06993	13.9
130.07764	8.0
131.08582	46.4
133.06511	3.1
133.10138	41.2
135.08044	5.3
135.11716	13.9
141.06979	9.2
142.07790	22.1
143.08568	31.3
144.09337	6.6
145.10120	57.6
147.08054	5.1
147.11673	18.3
153.07021	3.0
155.08542	9.8
156.09305	12.2
157.10130	44.0
158.10904	3.1
159.08076	3.2
159.11702	26.4
161.09659	11.1
161.13240	5.8
165.06963	4.2
166.07820	3.1
167.08531	4.9
168.09348	4.2
169.10103	20.5
170.10883	6.5
171.11671	16.6
173.09656	4.7
173.13283	17.7
175.11124	4.6
175.14775	7.1
179.08525	8.3
180.09398	3.4
181.10138	7.3
182.10889	4.3
183.11671	14.7
185.13278	8.6
186.45280	2.5
187.11127	2.7
187.14833	14.1
192.09203	3.0
193.10165	7.7
194.10876	5.3
195.11728	12.4
197.13278	8.2
199.14799	6.7
201.16321	3.0
206.10902	3.4
207.11639	7.5
209.13181	12.8
211.14824	7.5
213.16296	4.7
220.12436	3.5
221.13194	2.9
223.14735	5.0
225.16321	5.9
233.13222	2.3
235.14749	4.5
251.18007	2.9
253.15895	5.0
253.19449	2.9
261.16589	2.4
265.19492	3.1
273.16769	2.6
279.21182	2.5
345.05869	5.8
347.27484	3.3
357.25934	3.7
375.10654	8.1
375.26834	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	375.1803
Annotation	Subexpinnatin B
Peak:m/z	Relative Intensity
55.01879	4.0
55.05507	4.1
57.03424	4.0
67.05489	5.0
69.03433	14.3
69.07071	3.3
69.92599	4.5
69.93006	8.2
70.06579	3.0
71.04979	3.6
73.02928	4.8
79.05496	5.0
81.03417	7.1
81.07066	5.9
83.04978	6.6
84.04510	6.2
85.02909	14.4
85.06548	5.3
86.09686	4.7
91.05492	3.9
93.07071	3.9
95.04989	5.5
95.08605	6.5
97.02905	7.2
99.04486	5.3
103.03957	6.4
105.07019	10.5
107.04984	3.1
107.08572	4.8
109.02866	3.1
109.10184	4.5
111.04440	2.9
115.03934	3.2
117.06979	3.7
119.04919	7.4
121.06506	6.1
123.04469	3.2
125.09644	4.9
127.03891	6.3
128.06229	3.2
130.05025	3.8
130.07867	2.5
131.08549	5.2
133.06509	3.1
133.10164	2.5
135.08067	3.7
137.05978	22.8
142.07808	5.5
143.08557	6.3
145.06473	3.5
145.10139	4.0
147.04431	4.0
147.08003	3.7
149.05960	2.1
151.03915	3.6
151.07527	16.1
157.06541	2.6
157.10129	9.0
159.08163	5.4
159.11787	2.8
161.05984	13.8
161.09625	5.0
163.07425	3.4
167.07037	6.3
171.08044	4.2
172.08803	2.7
173.09636	7.6
174.06784	2.7
175.07558	16.9
175.11195	8.3
177.09166	5.4
179.06973	6.4
181.10211	2.4
185.09627	6.0
186.06824	3.6
187.07579	9.0
187.11191	7.9
188.08372	9.0
189.09132	19.2
191.10677	9.4
199.07463	3.2
199.11195	2.8
200.08337	4.5
201.09108	9.0
203.06975	2.9
203.10680	45.6
209.09636	3.1
211.07457	4.5
211.11211	5.8
211.13170	4.3
213.09152	10.2
213.12727	3.3
214.09903	5.0
215.07372	2.5
215.10674	54.7
217.12296	4.0
225.09242	4.7
227.10597	13.5
227.14224	3.4
228.11472	5.3
229.08586	7.5
229.12195	17.3
230.12994	2.9
231.10179	4.2
231.13811	10.1
239.10637	5.6
241.08607	2.4
241.12262	4.8
243.10129	3.6
243.13855	100.0
251.10609	3.0
252.11523	2.3
253.08421	3.0
253.12257	5.1
254.13187	3.3
255.10268	5.6
255.13814	10.4
257.11725	11.5
259.13318	3.2
261.14871	3.8
267.10172	6.4
269.09241	3.6
269.11807	14.7
269.14896	3.4
271.13196	7.1
273.14853	4.2
281.11716	3.8
282.12488	7.5
283.13181	4.8
285.14798	4.5
287.12930	4.8
297.14929	6.5
299.12799	9.0
315.09525	3.2
317.13864	44.0
317.65439	2.7
327.15945	5.4
339.15869	14.0
357.17017	28.6
375.12997	6.5
375.17975	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	375.1441
Annotation	Vladinol D
Peak:m/z	Relative Intensity
50.87557	0.7
53.00008	0.7
53.03941	1.4
55.01868	3.1
65.03943	4.3
67.05496	3.2
69.03412	1.8
69.07095	1.4
70.16805	1.2
70.17205	2.0
71.04986	1.0
76.79093	0.7
77.03907	0.8
79.05488	1.7
81.03416	10.0
81.07052	2.0
84.04529	1.0
84.08150	0.9
85.02905	1.7
86.09692	1.8
91.05494	3.9
93.03393	2.1
93.07033	1.7
94.04214	1.6
95.04972	2.3
97.02864	0.9
103.05454	0.9
105.07022	1.8
107.04955	2.3
108.02115	2.7
109.02843	1.3
109.06535	2.7
111.04455	1.6
115.05492	4.2
117.07019	1.7
119.04975	1.7
119.08577	1.5
121.06524	1.4
121.74036	0.8
122.03644	4.7
123.04440	0.8
125.06016	2.3
128.06238	2.8
129.07005	9.5
131.04915	2.2
135.04478	0.9
136.01578	0.9
137.05984	55.1
141.05484	2.4
143.04964	3.7
145.06487	0.9
147.04492	1.6
147.08090	2.0
149.05988	1.8
151.03922	100.0
151.05040	11.0
151.11186	1.8
152.04218	0.9
153.05511	3.8
155.06035	1.1
157.06500	8.7
160.05215	2.8
161.06001	3.0
161.09592	1.4
163.07619	1.5
165.05505	2.9
167.07083	2.5
171.04460	4.2
174.06682	1.2
175.07565	6.3
176.04683	1.2
177.05470	1.4
177.09157	1.5
179.07054	0.8
181.04971	6.8
187.07617	2.8
188.04677	1.2
189.09099	7.4
191.07045	7.1
191.08502	1.0
203.07045	24.4
205.06822	1.0
205.08626	4.6
215.07031	2.1
218.07333	1.0
219.08156	1.9
221.08014	6.0
233.08179	3.0
234.06874	1.4
235.07660	1.6
243.06705	1.2
247.07649	1.3
261.09268	1.0
263.07043	0.8
264.07892	1.5
265.08685	1.3
267.10345	1.0
277.08426	1.0
279.10205	3.7
286.08429	3.1
295.09726	1.6
301.11838	8.3
307.09753	3.1
311.12711	1.5
312.09763	0.9
321.11215	4.6
326.11569	0.8
327.12238	6.8
339.12357	7.7
345.06396	0.9
345.13068	1.1
357.13348	6.1
375.14862	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.5
55.01872	23.7
55.05502	7.6
57.03436	4.9
57.58018	2.2
61.02939	2.5
65.03918	4.4
67.05495	10.0
69.03085	3.3
69.03431	39.2
69.07065	6.3
71.04990	2.8
71.50158	2.4
73.02916	3.6
79.05514	10.7
81.03422	16.8
81.07056	7.8
83.04976	12.1
83.11646	2.5
84.08132	2.7
85.02899	12.9
85.06543	12.5
86.06075	2.6
86.09702	5.4
86.19340	2.7
87.00840	5.3
87.10052	2.9
91.05482	39.4
93.07024	10.8
95.04960	13.2
95.08618	8.0
97.02879	15.3
97.06536	5.5
99.04437	5.1
100.81422	2.2
103.05491	4.5
105.07035	18.0
107.04954	6.2
107.08588	8.3
107.51212	2.3
109.02864	3.6
109.06514	11.1
109.10156	18.5
113.09624	3.8
115.03941	3.6
115.05466	5.2
115.07549	2.7
117.06985	3.1
118.04111	3.8
118.94883	2.2
119.04940	37.4
119.08614	3.5
120.39915	2.3
121.06496	9.0
121.10146	4.1
123.04445	21.0
123.08083	2.1
123.11708	2.5
125.09635	54.1
126.51029	2.5
127.03911	4.0
129.01810	2.7
131.04900	2.5
133.06503	14.0
133.10088	2.3
135.08070	6.7
135.11697	3.0
136.05077	2.8
137.06007	26.5
137.09628	2.8
141.05415	3.5
143.08557	3.1
145.06514	3.2
146.03645	9.7
147.04414	62.6
149.06027	5.9
149.09578	4.4
151.03897	4.3
151.07536	5.2
151.11168	3.0
153.05421	2.9
153.09126	3.0
159.07994	2.3
161.05994	40.3
161.09660	2.6
162.06673	3.5
163.07510	2.4
167.07040	12.4
167.10614	3.0
172.08690	4.6
175.07486	3.6
175.11124	3.2
177.05519	3.0
179.07048	100.0
193.12202	9.7
199.11131	2.5
203.07007	5.0
211.13289	17.8
212.16541	3.5
213.16774	3.5
215.06931	5.5
217.12247	5.3
235.13235	8.1
243.08693	6.9
255.07645	4.6
277.08664	2.8
307.09470	3.2
315.09604	3.6
333.11105	2.1
357.15576	3.3
375.12183	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	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.8
55.01867	3.7
56.02132	1.0
57.03426	3.5
61.02922	3.4
65.03931	1.8
68.99805	2.3
69.03432	15.4
69.07053	1.3
69.31491	7.6
71.04974	2.0
73.02902	3.1
81.03427	10.2
84.04475	2.5
85.02910	45.6
86.09705	9.7
87.00835	22.2
91.05488	100.0
97.02899	14.9
99.04483	6.6
102.05564	1.6
105.01877	27.0
105.07028	2.6
108.04443	2.7
109.02886	13.5
117.01845	1.6
126.05579	1.6
126.90357	1.0
127.03929	36.9
129.01875	1.6
129.07005	2.2
132.10228	2.8
137.05971	4.0
138.09142	1.7
145.04974	17.3
145.06274	1.5
145.06493	1.3
151.03915	9.5
151.05016	2.1
157.06451	2.1
159.02924	7.5
171.08067	1.5
175.07585	2.0
189.03915	2.2
197.12752	1.9
199.07364	2.5
199.89146	1.0
203.07118	2.4
213.03897	2.4
215.13963	3.2
217.08601	1.3
230.06485	0.9
231.05046	8.5
243.13286	1.2
248.07617	1.6
249.06004	1.7
262.38531	1.0
284.52942	1.0
327.12256	1.0
397.25406	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84803	1.5
56.96580	1.9
60.26947	1.2
61.02922	2.5
69.03426	2.6
70.06595	6.0
70.77182	2.7
70.77547	2.8
73.02933	2.0
84.04518	4.4
84.08140	5.2
85.02914	11.3
86.09711	8.7
87.05597	2.5
89.06039	54.8
96.04504	6.6
97.02899	3.6
98.97584	2.5
104.61488	1.3
107.04942	1.4
107.07076	4.2
124.03959	24.9
127.03915	7.4
129.10248	2.0
130.06517	2.3
133.08606	20.4
145.02866	6.2
145.04936	2.2
151.09673	4.0
177.05505	14.8
177.11227	4.2
180.06599	8.5
195.06570	5.1
195.12297	100.0
196.12611	1.6
198.07639	16.6
209.05490	2.2
340.90051	1.3
367.25064	1.5
374.11078	1.8
375.16370	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09872	0.3
53.03936	0.6
55.01869	0.8
61.02909	0.3
69.03429	2.6
69.67110	1.6
73.02924	0.5
77.92705	0.3
81.03426	2.7
84.08170	0.4
85.02910	4.0
86.09700	0.4
87.00840	2.3
87.59249	0.3
90.48381	0.3
92.82923	0.3
97.02890	1.4
98.21523	0.4
99.04457	0.9
105.01875	1.0
109.02877	2.7
117.01849	0.6
127.03925	100.0
128.04253	0.9
130.08629	0.3
132.69994	0.2
137.05992	0.5
145.04958	0.7
147.02972	0.3
159.02925	1.9
274.56631	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1076
Annotation	Eriostemin
Peak:m/z	Relative Intensity
55.01871	0.7
70.74915	0.8
70.75241	0.9
85.02887	0.8
86.93975	0.5
88.90189	0.4
89.90062	0.5
104.09229	0.5
113.02349	1.6
138.03152	0.6
148.05121	0.6
149.06004	5.9
151.00262	1.1
151.03918	3.7
162.43149	0.6
169.01343	10.6
178.99689	1.1
184.99472	0.5
197.00816	15.3
212.03290	0.6
215.01869	3.4
227.05576	1.1
230.05763	1.3
243.06500	0.8
246.05261	1.0
271.06009	1.7
298.04800	0.6
299.05521	3.2
302.04236	5.9
312.02573	2.2
313.07098	2.9
314.07864	2.8
316.05951	0.5
317.06546	3.0
327.05020	27.2
328.05399	0.7
330.03680	10.5
330.07471	0.8
341.06436	1.8
342.07272	3.9
345.06064	69.9
346.06415	1.5
359.07419	0.7
360.08426	10.1
375.10754	100.0
376.11063	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.4
55.01876	3.7
57.03433	2.6
61.02921	3.0
65.03955	2.9
69.03432	16.4
70.84103	2.9
71.04998	2.3
73.02923	2.8
81.03418	10.2
85.02911	41.7
86.09705	4.4
87.00841	19.1
91.05492	100.0
92.05807	1.5
97.02890	14.6
99.04482	4.7
105.01875	25.7
105.07030	2.6
108.04478	1.3
109.02881	13.2
111.04496	1.1
117.01833	1.8
126.05511	1.2
127.03926	28.8
129.01875	1.8
129.07057	1.1
132.10234	1.9
133.06494	2.2
137.05983	1.9
141.06653	1.1
145.04977	15.5
145.06473	1.9
147.08018	1.2
151.03944	3.3
159.02934	6.4
175.07610	2.4
187.07648	1.2
189.03952	3.0
213.03981	1.2
215.13989	1.1
217.08548	1.4
231.05063	7.6
231.94075	1.1
249.06116	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	9.0
55.01887	14.8
55.05510	14.6
56.05035	9.1
56.96577	7.1
67.05504	35.4
69.03431	12.5
69.07069	24.2
70.06590	9.3
70.83236	17.4
79.05500	24.3
81.03453	8.8
81.07062	23.9
83.04967	15.8
83.08646	7.9
85.02925	18.0
86.00648	8.6
86.09695	9.6
91.05486	25.6
93.07059	26.6
95.04987	13.6
95.08611	33.1
97.02892	8.8
97.06528	15.7
101.10212	9.9
104.96901	7.7
105.07025	23.2
107.08612	30.1
109.06535	18.6
109.10162	100.0
119.08588	46.1
121.10141	18.4
123.08124	9.6
123.11748	9.8
129.07057	9.9
131.04883	8.8
131.08591	8.1
133.10141	27.2
135.08093	8.8
135.11714	87.6
137.06003	27.1
137.09633	23.9
143.08607	14.3
145.10255	9.7
149.06053	9.3
151.03961	10.2
162.06718	9.9
165.05455	20.3
167.07095	22.2
169.10130	12.9
175.14876	35.6
177.42241	8.8
193.15891	58.7
211.16982	39.4
225.10265	10.7
239.11868	10.7
285.15329	9.0
313.11597	24.4
343.11551	15.3
373.13876	58.7
373.18091	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.2
55.05498	5.4
56.63418	1.9
57.03421	2.2
67.05500	3.8
69.03421	5.2
69.07064	5.0
70.63162	4.8
71.04998	1.9
73.02932	1.9
75.19481	1.8
79.05489	4.9
81.03407	5.6
81.07072	13.8
82.70501	1.6
83.08614	3.4
85.02900	12.6
87.32083	1.9
91.05485	7.0
93.07049	9.7
95.04955	1.8
95.08618	22.4
97.02901	5.3
97.06503	5.1
99.04443	2.2
99.08080	5.2
105.07039	14.0
107.08598	12.8
108.04454	1.8
109.02899	3.1
109.06507	4.4
109.10159	6.4
113.05975	2.1
113.09569	1.9
115.03955	2.1
118.06522	1.8
119.08585	54.8
120.08944	2.5
121.10146	3.2
125.06004	2.3
127.03898	4.5
131.08612	3.8
133.10141	63.1
135.11682	17.4
136.29868	2.0
137.05981	7.4
138.05484	2.1
145.04900	2.5
146.05966	3.2
147.11668	6.1
148.07539	5.6
149.16968	2.0
152.07086	2.3
164.07114	3.1
166.04970	4.8
166.08609	2.4
169.03534	1.7
175.14839	100.0
176.15192	2.0
180.06572	2.0
185.10797	2.0
192.06525	3.4
193.08653	2.0
193.15851	11.6
197.10721	2.9
199.07320	2.5
209.15279	2.0
211.08656	3.1
211.16933	4.1
225.10257	5.6
239.08025	2.3
239.11899	2.8
253.09804	2.5
267.11377	2.5
281.08890	1.9
295.10474	1.9
313.11646	10.4
327.09830	2.9
373.10043	8.5
373.13892	27.5
373.18411	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	373.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	11.0
57.03452	4.8
67.05499	15.5
69.03427	18.9
69.06732	4.4
69.07073	59.6
69.71342	21.6
79.05489	19.2
80.45885	3.3
81.03423	6.1
81.07070	20.0
83.04955	7.1
83.08595	12.2
87.48506	3.5
91.05481	13.2
93.07034	10.0
94.91008	3.4
95.04985	9.7
95.08591	7.4
97.02871	3.8
97.06538	33.0
98.20864	7.8
105.07018	16.1
107.08604	27.7
109.06512	8.0
109.10130	7.7
117.07032	10.6
118.07747	3.0
119.04906	4.1
119.08569	6.8
121.06516	8.7
126.89234	4.0
129.06996	10.2
131.08536	4.5
133.10104	4.7
135.04428	3.9
135.08044	31.9
137.06001	5.2
142.07777	15.1
143.08574	9.3
145.06517	21.2
145.10167	9.1
147.08061	4.5
149.06026	28.2
151.03844	5.1
152.06169	3.4
154.07655	4.6
155.08571	5.3
156.09396	4.6
157.06444	6.1
157.10130	12.4
159.08035	13.7
161.06013	7.9
161.09618	20.2
163.03952	8.6
163.07535	10.5
166.13097	3.7
167.08606	4.6
169.06482	4.4
171.11757	3.8
173.09596	10.6
175.07542	12.9
175.11192	8.2
175.63969	3.8
177.05444	7.8
185.05957	5.9
185.09628	16.1
187.07533	13.9
189.09129	16.8
191.07054	8.4
191.10635	4.1
195.08162	4.1
199.07649	4.3
199.11209	8.1
201.05429	4.9
201.09122	11.5
202.06258	5.1
203.07050	38.4
203.10677	31.5
205.05055	5.8
205.08595	15.1
212.08318	4.2
213.09117	22.2
213.12752	3.8
215.07025	55.8
215.10551	8.2
217.04904	7.9
217.08604	26.1
219.10135	6.8
227.10699	15.6
229.08615	56.7
229.12144	6.3
231.10181	86.5
232.10820	8.2
239.10602	7.2
241.08566	10.1
241.12291	4.0
243.06601	17.5
243.10184	26.3
244.10884	17.8
245.11731	7.4
247.09685	25.3
255.10094	8.6
257.11835	10.0
259.09665	10.4
261.11121	11.2
263.09500	7.6
263.12820	51.0
267.13721	4.7
273.11243	51.2
275.09140	17.4
279.12231	9.5
291.12271	100.0
292.12903	15.2
293.13818	4.5
299.12793	11.0
299.16412	11.2
304.13068	94.2
305.13657	6.1
313.17969	9.0
317.13718	19.6
318.14508	11.0
327.15640	3.6
331.15405	13.9
341.17587	22.7
355.14981	4.2
355.18973	9.0
373.20050	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82213	1.8
53.03950	8.4
53.41626	1.9
53.73986	1.4
55.01864	2.1
55.05318	1.2
55.05515	15.1
56.85851	1.7
57.03441	24.3
59.04999	4.4
67.05511	76.1
69.03439	50.9
69.07076	3.6
69.59842	10.4
71.04999	10.8
73.02904	3.5
78.89396	1.6
79.05484	6.0
81.03424	55.6
81.07074	17.4
83.04993	20.6
83.08628	7.0
85.02912	17.2
85.06547	2.8
85.32462	1.4
87.04464	4.5
91.05477	6.3
93.01952	1.5
93.07067	5.2
93.92370	1.6
95.04954	2.8
95.08608	6.7
97.02902	27.7
97.10172	3.1
99.04471	10.8
101.02353	2.8
105.07045	2.0
107.08582	6.0
107.88930	1.6
109.02898	13.3
109.10167	71.0
111.04465	12.4
111.08089	2.5
119.08590	7.1
121.10220	1.8
125.09641	5.7
127.03923	22.3
127.11280	1.6
129.05530	8.2
131.08533	1.9
133.10146	2.0
135.68491	1.4
137.09619	7.2
155.10701	12.3
167.08350	1.8
173.04518	4.7
173.11754	50.9
189.11330	8.0
209.11742	3.8
229.14317	10.4
285.63535	1.8
299.14896	10.4
301.13351	1.9
316.17853	1.6
355.17511	4.1
373.18594	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88733	1.3
51.42162	1.2
53.03959	6.7
55.01872	2.7
55.05518	13.3
57.03443	25.3
59.04995	4.6
65.03948	2.1
67.05511	73.0
67.70206	1.5
69.03436	44.5
69.07066	3.5
69.94431	1.4
71.05006	9.1
73.02921	3.8
79.05495	5.5
81.03426	57.8
81.07069	12.0
83.04998	19.6
83.08608	5.3
85.02912	17.8
85.06544	3.0
87.04475	3.7
87.14876	1.3
91.05486	6.5
93.07039	4.8
93.26836	1.2
95.04957	1.8
95.08608	5.6
97.02900	26.0
97.10175	4.2
99.04471	10.5
101.02400	2.9
103.03926	1.8
107.08582	4.7
109.02888	13.3
109.10167	62.2
111.04449	11.0
111.08096	2.5
114.28307	1.2
114.93108	1.2
119.08591	7.2
125.09632	6.3
127.03928	19.7
127.55004	1.2
129.05519	6.9
133.10114	1.6
137.09624	5.6
137.53021	1.4
138.67413	1.2
145.05005	1.4
155.10701	11.2
173.04477	3.9
173.11755	46.7
183.06680	1.6
189.11189	6.8
209.11757	4.1
229.14409	8.9
281.13892	2.0
299.14832	12.4
355.17719	3.1
373.18591	100.0
374.19086	2.2
391.74133	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62256	1.2
53.03948	9.0
55.01853	3.9
55.05516	14.5
57.03442	23.8
57.07060	2.8
59.04994	2.9
65.03927	1.7
67.05507	76.4
69.03431	46.4
69.07042	4.8
71.04998	12.5
71.08632	1.5
71.52164	1.6
73.02895	3.1
79.05483	5.9
79.64993	1.4
81.03423	58.3
81.07064	15.0
82.87376	1.4
83.04984	17.9
83.08648	6.4
85.02914	18.3
85.06547	1.7
86.09653	2.4
87.04484	7.5
91.05474	8.0
93.07043	6.6
94.99959	1.3
95.04953	5.2
95.08620	7.6
97.02896	24.5
97.06530	2.3
97.10158	5.0
99.04458	9.6
101.02359	2.9
105.07022	5.3
107.08569	4.3
109.02882	10.9
109.10155	62.6
111.04443	9.0
111.08072	3.9
119.08610	8.1
121.10133	2.3
125.09599	6.5
127.03921	19.2
129.05472	6.1
133.10156	1.8
135.30513	1.2
137.09607	4.7
143.08565	1.6
145.04973	2.4
145.10101	1.7
155.10677	11.9
157.10107	2.7
173.04495	3.4
173.11748	49.2
180.19083	1.3
189.11189	7.0
209.11665	4.0
209.13358	1.9
221.13261	2.1
223.85153	1.5
229.14339	9.5
231.36946	1.5
245.04570	1.4
249.16376	2.3
250.04071	1.6
266.47952	1.6
299.14893	11.3
299.25827	1.6
355.17508	2.9
373.18567	100.0
373.25348	4.3
374.18860	2.5
374.36215	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.1
55.01864	2.5
55.05520	14.1
57.03195	2.0
57.03443	24.0
57.07072	3.8
59.04994	4.8
61.02928	1.8
65.03943	3.5
67.05512	78.3
69.03438	45.9
69.07059	4.5
71.01350	2.0
71.05000	9.0
71.08643	1.7
73.02927	3.3
75.12489	1.3
76.21922	1.2
79.05515	6.1
81.03428	54.2
81.07079	13.1
83.01334	1.9
83.04991	19.3
83.08630	7.3
85.02924	17.6
85.06527	2.8
87.04471	4.3
91.05496	10.2
93.07042	5.9
95.04960	3.7
95.08641	7.4
97.02901	28.4
97.06532	1.8
97.10180	6.9
99.04478	10.3
101.02364	2.6
105.07053	5.0
107.08573	4.3
108.65807	1.6
109.02898	14.2
109.10169	71.7
111.04438	10.4
111.08057	3.2
119.08586	9.8
121.10183	2.1
125.09635	6.5
127.03909	22.0
129.05502	8.4
129.06987	1.9
130.56047	1.3
131.08633	1.6
133.10164	2.8
135.11748	1.8
137.09616	3.9
142.07834	1.4
143.08562	1.7
145.10120	1.6
155.10675	11.8
157.10127	2.6
169.10078	1.7
171.11693	1.4
173.04567	3.1
173.11752	47.0
183.36987	1.5
185.13402	1.8
189.11255	8.0
193.10088	1.9
207.11790	1.6
207.73466	1.6
209.11729	3.2
221.13196	1.6
229.14307	10.4
245.13469	1.7
249.16191	1.7
291.96823	1.4
299.14886	11.3
303.05344	1.5
347.95117	1.4
355.17612	3.1
373.18600	100.0
373.25220	6.4
374.36331	2.1
397.04523	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01875	1.0
55.05514	70.0
56.05836	0.6
59.04999	0.9
61.02919	2.5
63.74615	0.6
67.01868	0.6
67.05500	2.5
69.03430	1.0
71.50961	0.7
79.05499	1.3
81.07067	1.2
83.04984	100.0
85.06527	1.1
89.71355	0.6
91.05502	1.6
91.54322	0.6
95.04984	2.1
97.06534	1.3
105.07029	1.7
107.08604	0.7
109.06545	1.0
111.08070	0.8
115.05476	0.6
117.07017	1.1
119.08582	1.1
121.06531	0.6
123.08119	1.1
128.06256	1.6
129.07027	1.2
131.08633	0.9
133.10135	0.8
135.08092	1.0
141.06987	0.8
142.07780	1.0
143.08577	1.6
145.06471	0.9
149.05969	0.9
153.07085	0.7
155.08554	1.3
157.10178	0.9
161.05931	0.6
161.09630	1.9
165.07037	1.1
167.08644	1.6
171.08089	1.4
173.04410	0.6
173.05965	0.7
183.08069	0.7
185.09671	1.7
189.09154	0.9
189.16487	0.6
193.10191	0.8
195.08165	1.3
195.11665	0.6
196.08798	0.8
197.09676	1.4
199.07599	1.1
201.09125	0.7
207.11789	0.6
211.07698	1.1
213.09135	2.5
215.10770	0.9
217.08684	1.1
217.16043	1.0
219.10255	0.6
223.11166	0.9
227.10905	0.9
233.13567	0.6
239.14330	0.6
241.08719	2.0
241.12143	0.8
245.08171	1.7
249.12871	0.8
253.12193	0.7
255.10124	0.9
267.10516	0.9
267.13907	3.6
269.11826	1.5
273.11224	0.9
277.12305	1.3
295.13309	4.0
297.11334	1.1
313.14423	1.8
323.12927	2.4
341.13858	11.4
355.15613	1.9
373.16461	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.3
55.01872	2.3
55.05511	14.0
57.03442	19.3
59.05001	5.3
60.21014	1.4
67.05509	68.0
69.03436	46.9
69.07083	2.8
71.05003	8.7
73.02921	2.0
74.33909	1.6
79.05487	4.8
81.03423	48.5
81.07065	12.6
83.01373	1.8
83.04992	16.2
83.08621	6.9
85.02905	18.2
85.06525	3.1
87.04472	3.9
89.75754	1.5
91.05504	9.5
93.07049	5.3
95.04974	2.0
95.08601	7.2
97.02900	26.4
97.06534	1.9
97.10158	3.0
99.04453	10.0
101.02404	2.5
105.05599	1.7
105.07036	2.4
107.08585	4.8
109.02882	13.8
109.10164	72.3
111.04489	9.5
111.08111	3.9
119.08569	8.1
121.10163	1.9
125.09621	3.8
126.94510	1.5
127.03912	20.4
129.05490	7.3
137.09581	5.8
146.26448	2.1
151.61452	1.6
155.10661	12.8
173.04492	3.1
173.11757	50.7
189.11237	7.4
209.11786	4.5
227.12808	2.4
229.14468	8.6
299.14850	10.3
355.17496	3.8
373.18604	100.0
398.87436	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	10.5
67.05497	21.8
69.07043	5.9
70.06602	4.2
71.51752	3.3
71.52238	4.4
76.63104	3.5
79.05498	10.6
80.86613	3.0
81.07052	37.2
83.04984	6.5
83.08595	5.2
88.07637	5.3
89.05959	3.4
91.05472	9.4
93.07067	24.3
93.19845	2.8
95.08615	42.2
97.10154	3.3
105.07038	18.9
106.08675	10.0
107.08601	17.5
109.10173	24.1
119.08574	12.1
121.10170	16.3
123.11700	7.9
131.08629	5.0
133.10107	14.0
135.11691	12.4
145.10075	4.7
147.11717	10.2
149.13232	11.6
159.11667	5.1
161.13235	14.0
163.14798	6.5
163.80467	3.8
169.58061	3.4
175.14806	16.0
189.16388	16.0
201.16493	6.2
215.17902	10.2
218.99136	3.5
251.07805	3.6
271.24216	100.0
343.00406	3.6
350.48712	3.1
353.23874	3.7
371.29791	3.8
376.50974	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	372.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01877	0.9
56.96581	0.7
57.03437	0.7
61.02921	2.9
69.03430	6.6
70.06601	1.6
70.51629	0.6
70.84981	0.7
70.85320	1.2
71.04990	1.1
72.04517	0.6
72.08155	0.8
73.02920	0.6
73.04752	1.5
74.06069	0.6
74.74810	0.5
76.11875	0.6
79.05506	1.2
81.03423	2.9
81.63497	0.5
84.08161	0.9
85.02909	16.5
86.09716	0.9
87.04433	0.8
91.05418	0.8
91.05869	1.4
93.07052	0.6
97.02883	5.9
99.04473	0.9
103.05467	2.8
105.07034	5.4
107.04931	1.2
109.02878	1.8
117.05769	0.9
117.07023	2.1
118.06564	2.5
119.07324	4.5
120.08107	5.1
127.03960	2.8
129.07019	3.9
131.04948	1.6
131.07346	0.7
144.08073	0.6
145.04968	2.5
146.09622	6.3
164.10724	100.0
165.11165	1.3
192.10164	1.1
196.65297	0.5
210.11261	95.8
211.11603	2.0
246.07298	0.5
269.97879	0.7
286.00906	1.3
356.07117	1.2
372.16696	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	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.7
55.01866	6.4
55.05517	19.9
56.73970	2.1
57.03428	3.8
57.07058	4.9
59.77962	1.9
63.58025	2.2
64.72922	2.2
64.90283	2.1
65.03933	4.0
66.48197	2.4
66.48515	2.5
67.05508	91.0
68.99783	3.7
69.03432	13.4
69.07075	17.9
70.58226	4.9
70.58593	4.8
71.04993	8.5
71.08630	3.0
73.02900	3.7
79.05070	3.7
79.05496	44.2
79.05946	1.6
81.03423	29.1
81.07059	100.0
83.04967	8.1
83.08611	7.2
84.08045	2.6
85.02894	5.7
85.06529	10.1
85.10146	3.4
87.00830	15.2
91.05484	48.2
93.07045	71.2
93.07638	3.8
95.04948	11.0
95.08614	93.8
97.06539	14.3
99.04461	4.9
99.08082	9.0
101.05994	3.2
105.07040	47.1
107.04952	4.4
107.08588	41.8
109.02876	12.1
109.06496	10.1
109.10161	48.7
111.04435	5.6
111.08064	6.9
113.06002	4.8
113.09647	13.0
115.03926	3.8
117.07014	7.7
119.08601	37.3
121.06499	10.9
121.10149	49.1
122.13342	2.3
123.08074	7.7
123.11700	15.0
127.03910	10.4
129.05481	2.7
129.06966	8.3
131.08578	13.6
132.54666	2.2
133.06470	3.4
133.10147	38.2
135.08038	9.0
135.11729	24.6
137.05957	8.5
137.09607	9.0
137.13269	4.0
138.73096	2.5
143.08534	4.7
145.10127	16.2
147.08037	7.6
147.11693	28.3
149.09607	10.5
149.13245	9.1
151.07501	4.0
157.10088	5.9
159.11693	5.8
161.09599	5.8
161.13261	10.7
163.11182	13.2
163.14816	3.5
165.09129	9.3
167.06990	4.5
167.10732	11.1
169.08582	3.9
171.11693	7.6
175.11172	5.1
175.14746	4.9
177.16347	5.0
179.10625	4.9
181.12332	2.9
185.13254	4.3
187.07463	2.8
187.14845	3.9
189.16338	5.0
191.10706	6.8
203.17972	55.6
213.16440	12.6
217.08510	2.9
221.19014	8.1
227.12714	3.3
231.17427	18.8
239.20126	16.9
249.18547	8.1
267.19547	5.7
285.07654	3.6
300.10275	2.7
307.19037	3.0
353.19604	10.8
371.11169	4.5
371.16794	3.2
371.21368	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	371.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.9
54.55171	2.5
55.01863	9.6
55.05503	13.4
57.03426	5.9
61.01147	4.0
61.02920	6.7
65.03947	5.8
67.05510	15.1
68.47887	2.4
69.03428	22.8
69.07061	5.6
71.04990	10.0
71.50313	4.1
73.02916	6.9
79.05500	22.6
81.03423	16.2
81.07057	28.7
83.04995	20.5
83.08596	8.9
84.08126	2.9
85.02440	4.0
85.02914	55.3
85.06542	5.1
91.05480	22.8
93.07040	17.8
94.04169	3.1
94.07381	3.2
95.04980	30.1
95.08606	12.5
97.02877	19.0
97.06513	7.4
99.04467	5.6
103.05476	12.6
103.97175	2.6
105.07040	23.0
107.04976	19.8
107.08601	17.4
109.02863	8.9
109.06523	100.0
109.10165	13.2
110.03679	2.8
111.04473	3.5
111.08073	6.4
115.05450	11.2
117.07021	11.5
119.04948	5.6
119.08591	14.3
121.06486	15.1
121.10141	17.0
122.03699	4.2
122.71149	2.7
123.04421	4.2
123.08065	9.3
123.11683	6.0
124.05270	3.3
125.05976	3.7
125.09674	2.9
126.39369	2.5
127.03893	14.2
128.06241	20.5
129.07014	34.7
131.04926	20.1
131.08586	17.3
132.05737	13.5
133.06468	4.1
133.10138	8.5
135.08040	8.7
135.11713	3.9
137.05989	64.6
137.09601	9.4
139.11166	3.9
141.07011	10.5
143.08562	22.3
144.05728	8.3
145.04956	6.3
145.06464	9.2
145.10120	11.9
146.07347	3.0
147.04459	5.6
147.08051	8.2
147.11673	3.2
149.06009	18.8
149.09618	11.6
149.13263	7.9
151.07516	8.8
151.11214	14.3
153.06989	4.2
153.09099	12.2
154.07790	11.7
155.08542	5.7
156.05653	16.2
157.06467	16.3
157.10052	5.4
158.07191	2.8
159.04408	4.9
159.08115	14.4
159.11749	4.3
160.05214	7.3
161.05988	11.7
161.09590	4.5
163.03841	5.9
163.07549	9.4
163.11156	3.9
165.05634	3.2
165.09084	3.3
165.12715	21.7
167.07082	47.3
167.08557	7.4
167.14389	14.2
169.06479	4.2
169.10146	26.7
171.08072	8.3
171.11674	9.7
172.05278	3.8
173.06006	4.5
173.13260	4.7
174.06755	8.7
175.07619	13.8
177.05501	31.3
178.07761	5.6
179.07042	4.0
179.08423	5.9
180.07864	4.0
181.05074	16.3
181.12215	5.4
182.07220	4.3
183.08051	2.9
184.05157	3.2
185.05943	4.5
187.03928	2.9
187.07532	15.3
187.11240	6.2
189.07323	4.1
189.09059	24.3
190.07774	5.5
191.06984	9.0
191.08612	2.6
191.14249	16.7
192.07849	31.2
193.15799	3.6
195.08002	4.2
197.09573	15.8
201.07315	2.9
201.09245	3.8
202.06169	4.7
203.08624	3.5
205.08554	4.4
206.07329	4.9
209.15381	93.5
213.09087	4.3
215.08662	7.6
215.10692	27.5
217.06638	4.1
217.08595	37.5
218.07285	7.5
219.08011	5.1
221.09666	7.8
223.07796	3.8
225.09081	7.4
231.07985	4.9
231.13750	3.2
232.08887	3.0
233.09596	11.2
234.06793	7.1
235.07565	7.8
239.07048	5.5
241.08580	6.5
243.08080	4.1
243.10219	25.7
246.06703	4.3
247.07599	6.9
247.09674	13.5
248.08209	3.5
249.09079	12.3
251.07227	3.7
252.07861	5.1
260.08154	6.5
261.09195	26.3
262.09790	4.2
263.07080	6.0
265.05222	3.5
265.08661	3.9
266.09412	4.4
267.10001	3.0
269.08069	5.0
277.08606	15.6
278.09402	11.5
280.07544	4.8
281.08057	3.1
281.11652	5.5
283.09644	3.0
285.00961	3.9
285.07593	16.1
288.07986	3.1
289.08731	13.1
292.10934	3.9
293.08362	4.7
293.11655	12.5
294.09106	4.3
295.09607	3.6
300.09869	24.0
301.10690	7.3
306.08719	4.7
307.09802	13.8
309.11115	11.5
311.09445	4.3
313.10593	7.0
321.11224	19.1
323.09073	6.2
326.11615	6.7
335.09402	4.6
338.11569	5.2
339.12369	12.9
341.13742	7.5
343.11697	4.5
343.15680	2.7
353.10568	4.0
353.13913	27.9
371.15033	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
55.01864	1.9
55.05506	2.4
57.03423	2.1
57.07073	1.9
59.04993	1.2
61.02925	1.4
67.05491	3.8
69.03082	1.4
69.03428	16.4
69.07059	3.5
69.23728	8.9
73.02901	1.1
77.33633	0.9
79.05460	1.8
81.03406	1.1
81.07043	5.1
83.04987	9.3
83.08608	1.7
85.02911	8.0
85.06522	3.6
91.05469	3.3
93.07025	4.1
95.04958	1.8
95.08603	9.0
96.79578	0.9
97.02881	3.5
97.06535	2.0
99.08095	1.2
101.02406	1.0
105.07019	5.5
107.08589	16.5
109.02853	1.0
109.06520	9.0
109.10155	2.4
111.08085	10.4
119.08572	4.9
121.06528	1.7
121.10144	10.3
123.08059	3.0
123.11700	2.7
125.09632	32.7
127.03905	4.0
131.08604	6.3
133.10110	8.9
135.08064	20.8
135.11674	5.1
145.04982	1.3
145.10085	3.7
147.11691	3.4
149.09621	13.2
149.13275	3.7
150.10355	2.2
151.11157	1.9
153.09145	10.6
158.10872	3.8
161.09628	2.3
163.11159	5.4
163.14778	5.3
165.12737	2.7
167.10675	1.9
173.13258	22.4
176.11969	1.9
186.34731	0.9
187.07591	1.2
191.14308	99.2
192.14732	2.0
209.15366	100.0
210.15698	2.9
213.42445	0.9
246.51917	0.9
353.19537	2.9
371.16599	1.5
371.20697	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	371.2068
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03946	7.8
55.01873	16.0
55.05516	32.6
57.03439	11.2
61.02928	13.2
65.03940	3.4
67.05511	10.0
69.03431	48.7
69.07077	7.5
71.01363	2.6
71.04996	8.8
73.02922	6.2
73.04724	3.0
79.05521	12.9
79.77791	2.7
81.03413	18.7
81.07054	15.9
83.04987	47.6
83.08613	33.4
85.02912	65.6
85.06552	4.5
87.04485	7.0
91.05473	20.1
93.07059	18.7
95.04977	41.9
95.08598	13.2
97.02905	24.3
97.06535	12.1
97.10152	4.7
98.97598	4.4
99.04485	10.8
102.79957	2.6
103.03967	7.8
103.05479	19.7
105.07029	19.8
106.04205	3.4
107.04965	10.1
107.08615	23.4
109.02901	9.6
109.06530	13.1
109.10165	14.6
111.04430	5.2
111.08086	8.7
115.05483	5.8
117.07054	3.7
119.04958	10.4
119.08603	9.5
121.06499	10.6
121.10170	17.5
122.03703	4.5
123.04440	5.2
123.08077	9.1
123.11698	5.7
125.05988	10.1
125.09635	14.7
127.03954	15.6
128.06265	4.4
128.07115	4.1
129.07027	11.3
131.04927	15.3
131.08540	6.5
132.05772	3.4
133.06494	3.2
133.10150	6.7
135.08069	14.6
135.11668	4.6
137.05966	31.0
139.11192	20.0
143.08556	5.6
145.04945	9.7
145.10109	3.8
147.04405	33.5
147.08064	3.0
147.11761	5.6
148.05241	4.2
149.05984	14.1
149.09596	6.1
149.13274	4.1
151.03973	4.2
151.07553	6.5
151.11205	33.0
153.09096	13.7
155.10704	3.5
156.05698	7.7
157.06461	8.0
157.10184	3.3
159.08055	5.5
159.11708	2.7
161.06017	6.6
162.06694	2.8
163.07597	12.3
163.11232	7.6
165.05525	5.1
165.09113	12.4
167.07062	30.8
167.10770	3.2
167.14320	35.7
169.12245	5.0
173.13216	3.4
174.06810	4.2
175.03949	2.8
175.07571	5.8
175.11133	3.5
177.05482	13.8
178.07687	2.5
179.07092	6.9
181.08687	4.5
181.12260	34.9
185.08136	3.1
187.06161	3.3
187.07529	17.0
189.09154	6.4
191.07065	26.4
191.10674	3.9
191.14285	5.5
193.08617	5.9
197.09712	3.2
207.08220	4.9
207.10129	3.8
209.08055	3.6
209.15376	100.0
215.10803	5.2
217.08582	20.3
219.08165	4.0
222.38934	2.4
225.09164	3.5
228.15947	3.4
231.08156	3.8
233.09674	5.5
233.15367	6.2
234.06720	4.0
235.07547	4.0
239.07228	3.7
243.10283	3.5
247.09700	4.2
249.09082	8.3
261.09180	7.6
262.09933	4.0
264.07965	3.3
265.08975	2.9
275.16547	3.8
277.08762	6.1
278.09299	3.4
281.11713	4.3
285.00830	2.8
285.07544	8.0
289.08734	4.7
293.08566	3.3
293.11838	9.5
300.09991	5.9
301.10730	3.3
307.09866	4.1
308.10538	2.6
309.11319	7.5
311.09198	3.1
321.11227	9.9
323.09320	2.9
326.11807	5.3
335.18723	7.4
338.11395	2.9
339.12323	25.7
341.14014	5.1
353.13956	16.0
353.20142	3.3
371.15179	25.6
371.20847	15.3
384.64978	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	371.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18084	2.1
53.03951	6.5
53.40481	2.0
53.90349	2.0
55.01877	4.8
55.05517	12.0
57.03440	3.4
57.07076	5.2
65.03954	7.1
67.05512	77.6
68.99802	2.9
69.03416	7.2
69.07082	13.2
71.04998	7.0
71.08613	4.0
71.51211	2.3
71.51584	2.7
73.04769	2.8
74.99976	2.2
79.05496	47.5
80.21092	2.1
81.03395	13.5
81.07063	100.0
83.04984	7.7
83.08618	6.3
85.06548	27.4
87.00841	14.3
91.05483	53.7
93.06485	3.9
93.07054	62.6
95.04984	7.7
95.08614	71.4
97.02835	2.4
97.06539	11.8
98.97588	2.4
99.08117	10.2
101.05962	2.1
103.05489	2.2
105.07040	43.7
107.07885	4.0
107.08598	45.7
109.02840	3.9
109.06545	4.3
109.10169	36.2
111.04451	4.4
111.08070	6.6
113.06026	2.3
115.05415	2.6
117.07017	9.3
119.08594	34.8
121.06519	6.8
121.10155	50.5
123.08114	2.6
123.11690	14.4
125.05978	3.2
125.09639	11.0
127.07558	2.2
129.06999	6.6
130.33627	2.2
131.08592	12.4
133.06436	2.8
133.10136	44.1
135.08073	5.3
135.11710	24.2
137.05969	6.1
137.09570	3.3
137.13303	5.3
143.08543	3.6
145.10138	11.6
146.77080	2.3
147.08072	6.1
147.11707	34.6
149.09630	8.2
149.13286	12.9
151.07547	3.2
151.11246	3.1
157.10136	9.2
159.11748	6.8
161.09668	6.8
161.13295	15.6
163.11209	5.6
163.14824	4.0
165.09219	3.3
167.07083	7.2
167.10703	4.6
171.11700	5.1
173.09673	3.0
173.13127	2.8
175.11176	6.5
175.14856	8.0
177.16443	5.0
179.10693	5.7
181.12340	2.2
183.13806	2.3
185.13310	3.4
189.12833	3.4
189.16440	5.4
191.10684	3.3
193.12265	4.2
203.14494	2.6
203.17967	51.6
213.16406	15.7
217.08624	2.6
217.37883	2.6
221.18999	10.5
231.17488	17.8
239.20105	15.9
249.09256	2.8
249.18549	7.8
267.19516	3.3
285.20724	2.7
307.09763	2.5
307.19107	5.2
321.11078	3.2
335.18610	5.6
339.12305	5.6
353.15414	2.4
353.19543	16.8
371.11728	2.9
371.20963	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	371.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18566	2.2
53.03959	13.6
55.01880	5.9
55.05522	9.1
57.03442	4.5
57.07075	2.5
61.01135	2.8
64.08173	1.8
67.05515	32.5
69.03438	22.8
69.07081	10.4
70.11866	4.9
71.05004	10.5
79.05495	25.4
81.03425	100.0
81.07064	43.7
83.04996	6.1
83.08642	4.5
85.02916	11.9
85.06548	7.8
87.00839	3.7
91.05492	26.0
93.07050	54.0
95.04988	4.6
95.08614	39.1
97.02923	4.1
97.06548	8.8
99.04464	14.0
99.08095	2.9
101.06047	1.9
105.07035	26.0
107.04955	2.3
107.08608	36.0
109.02895	38.7
109.03607	3.5
109.06538	12.8
109.10158	17.2
111.08104	10.7
113.06041	2.7
113.09656	5.7
115.38795	1.7
117.07037	4.6
119.08590	23.6
121.06487	10.5
121.10152	30.1
123.08071	4.1
123.11745	5.3
127.03931	29.9
127.07561	3.4
129.07037	4.0
131.08607	6.2
133.10136	12.7
135.08073	6.6
135.11716	15.7
137.05997	2.5
137.09627	4.0
139.11159	3.5
143.08569	3.1
145.05017	2.4
145.10144	19.0
147.08066	4.3
147.11720	7.7
149.09633	20.0
149.13225	2.0
151.07605	3.7
155.08472	2.1
157.10097	3.3
159.11720	4.1
161.09601	2.5
161.13274	4.2
163.11188	42.7
164.11659	2.1
165.09077	4.3
167.06995	2.3
167.10689	27.9
169.08620	15.1
173.09581	2.8
175.11189	2.9
179.10684	2.0
181.12245	10.1
185.11734	2.7
185.13226	2.1
187.06000	2.9
191.10683	23.2
203.17967	11.8
209.11754	9.6
213.16473	4.1
221.19017	3.1
227.12720	11.5
231.13979	2.1
231.17435	5.9
239.20113	5.5
247.16924	2.6
267.19366	2.5
309.17087	2.4
311.14929	3.8
345.39987	2.4
353.15683	9.3
353.19830	4.2
354.20563	2.0
371.17075	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	371.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59357	3.0
51.74937	3.3
53.03945	4.0
55.01875	12.3
55.05518	14.9
57.03432	6.7
61.02926	6.6
65.03941	3.0
67.05505	21.9
69.03442	29.4
69.07063	7.1
69.27518	29.2
71.04992	15.1
71.05738	2.8
76.81555	3.8
78.29105	2.9
79.05500	22.8
79.35354	2.9
81.03436	18.8
81.07060	35.8
83.05002	16.1
83.08615	9.2
85.02915	41.9
85.06558	6.1
87.93616	2.9
91.05468	26.9
93.07040	17.6
94.04169	3.4
95.04982	27.7
95.08606	12.2
97.02895	13.4
97.06523	7.2
98.21555	6.1
99.04465	8.0
99.08089	7.4
103.03905	3.9
103.05496	15.5
105.07041	18.8
107.04958	14.8
107.08581	17.2
109.02863	9.5
109.06525	100.0
109.10159	12.0
111.04426	4.0
111.08123	4.5
115.05453	7.6
117.07066	7.7
119.04938	6.0
119.08588	8.3
121.06519	10.2
121.10168	10.2
122.03670	7.9
123.04450	3.0
123.08079	8.8
123.11694	6.6
125.05972	3.5
125.09644	6.3
127.03912	11.0
128.06253	9.8
129.07002	23.7
130.42610	3.4
131.04942	18.1
131.08560	18.2
132.05714	11.1
133.06512	4.7
133.10155	7.0
135.04401	3.7
135.08057	5.8
135.11665	7.2
137.05981	73.5
137.09694	7.1
137.13170	3.5
138.14545	3.2
139.11217	5.1
141.07025	9.5
143.04912	3.1
143.08571	17.3
144.05685	8.0
145.04982	5.1
145.06506	6.9
145.10129	8.1
147.08060	7.1
149.06013	10.5
149.09622	6.8
149.13268	4.6
151.03825	3.5
151.07576	8.6
151.11171	22.7
153.07043	4.1
153.09097	18.3
153.72902	3.0
154.07794	7.4
155.08560	6.8
156.05739	15.6
157.06519	11.2
159.04436	6.9
159.08060	14.1
159.11723	3.9
160.05209	5.4
161.09570	4.1
163.03941	4.3
163.07530	7.0
163.11171	4.2
165.05521	4.7
165.12752	11.5
167.07050	51.3
167.08444	5.7
167.14301	11.6
169.10156	18.5
171.08026	6.0
171.11725	7.7
172.05190	4.8
173.13274	3.4
175.07555	11.5
177.05470	19.1
177.08998	3.5
178.07751	5.3
179.07062	4.1
180.07816	7.5
181.04974	7.4
181.12239	6.1
184.05211	3.6
187.03928	4.6
187.07487	16.7
187.11194	5.2
189.07370	4.2
189.09120	15.5
191.07022	9.7
191.14279	11.1
191.38049	3.2
192.07823	27.4
195.08034	4.9
197.09634	9.1
199.07487	4.4
201.09090	3.3
202.06230	4.7
203.08650	5.3
205.08577	4.3
206.07268	4.3
207.08127	5.5
209.15364	66.7
215.08685	8.0
215.10696	18.2
217.08597	48.7
218.07248	8.5
219.08076	6.9
219.10060	3.7
222.76402	3.2
225.09200	7.4
231.08051	5.5
233.09657	8.9
234.06805	8.1
235.07608	10.2
239.07097	5.7
240.07886	3.5
241.08636	13.3
243.08017	4.5
243.10196	17.6
246.06779	4.6
247.07460	7.0
247.09515	17.2
248.08342	3.6
249.09036	15.3
251.06995	5.9
252.07838	6.6
260.08261	5.0
261.09088	22.5
261.11218	3.0
262.06277	3.9
263.06979	6.8
265.08575	6.7
266.09338	5.3
269.08167	5.2
275.10504	4.8
277.08621	14.0
278.09393	9.3
279.10413	3.3
280.07288	6.2
281.11584	5.0
285.07599	25.7
289.08835	9.9
293.08627	3.7
293.11600	15.1
296.10495	4.9
300.09958	30.6
301.10712	13.0
306.08936	4.2
307.09946	9.8
309.11185	13.5
313.10684	9.4
321.11221	28.6
322.11780	6.1
323.09094	7.3
326.11581	8.6
335.09332	4.7
338.11441	6.2
339.12390	19.6
341.13815	7.1
352.40533	3.0
353.13867	36.8
371.15091	37.0
371.20108	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	371.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
69.03407	3.5
69.07069	3.2
69.76631	1.8
79.05486	10.5
81.03418	7.3
81.07047	4.5
83.10214	2.1
91.05484	12.2
93.07056	3.1
94.04184	4.4
95.04945	2.9
97.02942	1.9
97.06551	2.3
98.21540	4.4
103.05467	4.0
105.07027	5.9
107.04947	17.3
109.06510	5.3
109.10133	1.9
109.58361	1.7
111.08069	2.9
115.05494	3.3
116.06261	2.3
116.87247	1.8
117.07030	2.8
119.08500	2.8
121.06556	3.2
121.10137	2.6
122.03648	11.8
123.04369	2.5
124.05234	3.5
125.06028	3.7
127.03903	2.7
128.06232	6.0
129.07008	16.6
131.04936	3.9
131.08569	13.8
132.05692	3.0
133.02872	2.3
133.06456	1.8
133.10106	1.7
135.08018	2.2
137.05988	100.0
141.06975	6.5
144.05716	7.9
145.06493	5.7
145.10106	2.6
149.05994	3.8
149.09563	2.0
149.18062	1.7
151.03806	2.5
151.07532	6.0
153.06874	2.1
156.05714	23.9
157.06480	5.1
158.07263	4.5
159.08069	22.4
159.71326	1.8
160.05226	4.1
161.06001	3.5
163.03877	2.1
163.11195	3.2
165.05486	2.0
167.07060	40.8
169.06418	4.4
169.07652	2.1
172.05174	4.2
173.05983	3.4
174.06778	7.3
175.07562	7.8
177.05457	3.6
178.07816	5.9
179.07045	2.2
181.06384	2.1
184.05208	2.2
185.06041	2.1
186.06635	2.6
187.07552	19.9
189.07121	4.5
189.09137	7.2
190.06232	2.8
190.07797	3.0
193.08566	2.2
193.10199	3.1
198.06671	2.1
201.09105	3.1
202.06259	7.1
202.07866	3.4
203.06940	3.2
203.08624	7.5
204.07715	2.1
205.06615	3.2
205.08539	4.5
205.10265	3.0
206.07182	6.1
207.08141	3.7
211.07524	4.6
215.06850	4.5
215.08586	5.7
217.08618	67.3
218.07320	10.2
218.09087	2.7
219.08028	5.6
219.10130	3.6
221.09644	7.3
223.07423	2.5
224.04689	3.3
224.08185	2.1
226.06230	4.2
229.08606	4.5
231.08075	8.2
232.08884	4.8
233.09654	15.2
234.06842	8.7
235.07635	12.3
236.08427	2.6
237.05463	3.3
238.09822	2.7
239.07068	17.8
241.08688	11.2
242.05682	4.3
246.06746	5.1
247.07571	3.7
247.09747	28.6
248.08249	5.8
249.09109	19.9
250.09900	6.4
251.06970	5.7
251.10977	2.5
252.07866	10.7
253.04956	2.5
256.03644	4.4
257.08026	4.2
260.08423	3.2
261.09082	26.6
262.06094	4.3
262.09799	4.3
263.07034	10.4
263.10614	4.4
264.07941	2.9
265.08585	7.3
266.09381	4.9
267.10150	2.8
269.07980	6.5
271.06039	6.7
275.07062	2.8
275.10468	2.1
276.07938	2.5
277.08652	19.0
278.09384	13.9
279.06467	5.2
279.09979	4.5
280.07309	4.2
281.11722	9.2
283.09796	3.0
285.07584	43.0
286.08450	3.0
289.08615	13.6
290.09299	3.5
291.06793	2.9
291.10074	3.5
292.10870	3.4
293.08246	3.9
293.11655	27.6
294.08878	5.5
295.09686	4.3
298.08374	2.5
300.06631	3.3
300.09943	44.7
301.10611	18.4
306.08841	6.9
307.09668	7.4
308.06796	3.0
309.11243	21.0
310.11530	2.3
311.09363	3.6
313.10699	10.4
321.11234	34.4
322.11713	6.1
323.09161	8.4
325.10678	2.1
326.11603	18.6
338.11676	6.3
339.12183	7.4
341.13925	11.3
353.13840	54.4
371.15012	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	371.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.0
55.01858	5.2
61.01157	6.6
67.05511	6.8
69.02760	4.5
70.45258	16.0
77.00621	8.7
77.15604	4.4
77.96731	4.7
79.05496	14.1
81.03402	9.6
81.07046	5.9
82.21193	4.9
85.01105	7.3
91.05482	30.1
91.65940	4.9
93.07051	20.6
95.04986	5.9
97.02905	8.5
105.07035	36.6
107.04935	5.2
107.08613	8.5
109.02916	7.8
109.06512	6.4
115.05458	8.5
117.07011	18.5
118.11028	4.7
119.08573	13.3
121.06502	10.6
128.06250	27.4
129.07013	37.0
130.07774	5.7
131.08574	31.1
133.06584	4.5
133.10185	7.8
137.04178	10.1
137.05971	6.0
141.06998	27.6
142.07761	8.0
143.08557	73.0
145.06544	9.3
145.10123	25.0
147.08054	10.9
153.06979	7.0
154.07730	35.3
155.08533	17.9
156.09280	5.4
157.06534	5.1
157.10141	8.8
159.08067	13.3
159.11688	9.6
161.04289	5.6
166.07834	8.3
167.07083	7.7
167.08595	12.1
169.06473	7.3
169.10132	81.0
171.08029	28.8
171.11737	26.9
173.06035	11.7
173.09612	7.1
177.09167	4.8
179.08600	10.7
181.10074	9.0
182.07259	11.4
183.04698	5.7
183.08015	7.0
185.09647	9.2
187.05782	4.9
187.11194	20.3
189.09114	12.5
197.09645	47.5
199.07645	9.0
199.11177	11.3
201.07362	8.6
209.09772	6.0
213.09032	8.9
215.08836	13.6
215.10690	100.0
225.09152	28.1
227.10573	5.7
233.11708	8.2
241.08687	5.4
243.10268	88.7
261.09116	30.7
261.11792	7.9
271.07898	9.7
289.09100	24.9
307.10043	15.8
335.09488	17.8
353.10471	13.1
371.14893	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	371.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96612	2.9
53.03939	3.4
63.60772	3.0
67.05477	3.7
67.50365	2.7
69.03398	3.8
69.07041	3.2
69.57456	6.7
69.57857	15.9
79.05502	11.2
81.03416	6.4
81.07046	6.2
83.04939	3.1
91.05483	9.7
94.04215	5.8
95.04925	4.1
97.06519	4.3
105.07024	5.9
107.04948	21.5
109.06485	5.0
114.94778	3.7
115.05527	4.5
121.06502	3.5
121.10141	3.4
122.03646	11.6
122.10579	3.0
123.04480	3.2
124.05194	5.2
128.06233	9.3
129.07016	13.6
131.04924	7.8
131.08582	15.0
135.04437	3.1
137.05988	100.0
141.06978	5.3
144.05721	10.3
145.06442	6.1
145.10121	3.5
147.04439	3.2
149.05969	5.3
153.05447	3.2
156.05687	30.7
157.06474	8.1
159.08092	17.1
167.07047	46.0
169.06458	2.9
172.05251	3.5
173.06061	4.5
174.06767	8.3
175.07613	13.7
177.05464	5.4
178.07805	4.5
187.07536	21.4
189.07022	7.2
189.09157	7.6
190.07774	5.2
191.07004	3.4
191.08655	3.3
195.08040	4.0
197.05914	3.0
198.06853	5.1
201.09132	4.7
202.06183	7.2
202.07898	5.1
203.06900	2.9
203.08623	8.0
204.09357	2.9
205.06578	5.2
205.08548	6.5
206.07301	6.0
207.08031	7.4
211.07536	5.0
215.06834	5.9
215.08696	5.0
217.08603	65.0
218.07336	9.6
219.08072	9.2
219.10130	5.0
221.06107	5.0
221.09702	9.0
222.06540	4.2
223.07574	8.1
224.04665	3.5
229.08623	3.7
231.08076	12.4
232.08943	3.5
233.05952	3.6
233.09581	14.3
234.06792	13.7
235.07617	11.3
236.08185	4.1
237.05539	4.3
237.09116	7.9
238.09995	4.3
239.06947	16.1
241.08635	13.4
242.05930	3.6
245.06065	3.8
246.06729	7.2
247.07486	5.3
247.09671	27.8
249.09152	26.0
250.06239	5.3
250.09906	3.3
251.07106	10.2
252.07825	18.1
257.08173	7.5
260.08484	5.7
261.09113	22.8
262.06314	4.3
262.09802	3.8
263.07034	18.3
263.10562	4.7
264.07806	5.8
265.08591	13.1
266.09402	8.0
269.07953	5.2
271.06039	6.5
276.07986	6.0
277.08566	24.6
278.09482	14.7
279.06705	4.5
279.10089	5.9
280.07336	14.2
281.08194	5.5
281.11713	10.7
283.09784	3.6
285.07526	50.3
286.08572	3.3
289.08572	10.3
291.06387	3.3
291.10208	4.9
292.10980	4.5
293.08496	5.1
293.11694	21.7
294.08820	7.0
295.09656	8.7
296.10425	4.7
300.09921	51.0
301.10574	15.4
304.53064	3.1
306.08865	11.8
307.09656	8.6
308.06808	3.2
309.11273	26.3
311.09290	4.8
311.12735	7.1
313.10687	14.2
321.11249	36.3
322.11752	4.2
323.09100	8.5
326.11426	18.7
338.11490	8.4
339.12350	56.4
340.12735	4.0
341.13797	11.1
353.13855	56.5
371.15018	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	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77124	5.5
55.01868	9.8
55.05518	40.3
57.03423	15.4
57.07066	19.2
67.05175	8.6
67.05508	100.0
69.03427	13.5
69.07073	30.0
69.78685	31.1
70.29505	5.6
71.05008	9.4
71.08631	29.4
71.95182	5.7
75.78083	5.5
79.05499	66.7
81.03410	6.5
81.07051	89.7
81.55383	5.7
83.04973	14.3
83.08609	20.8
85.02916	7.9
85.06528	11.3
91.05487	51.2
93.07037	63.4
95.04951	19.2
95.08609	57.8
97.06504	8.8
97.10143	20.1
98.20634	7.3
99.08057	14.0
105.07040	44.5
107.04899	5.6
107.08602	70.3
109.06500	15.2
109.10168	62.3
112.05689	5.3
116.41512	5.6
117.06995	13.4
119.08576	27.9
121.10147	38.2
123.11696	9.2
125.09595	21.8
127.11214	8.3
128.00441	5.5
129.07030	8.5
131.08560	21.2
133.10094	26.3
135.08043	10.8
135.11685	49.1
139.72229	5.6
143.08548	11.1
145.10138	21.5
147.04424	7.1
147.11632	20.7
149.13271	16.0
151.11220	13.5
157.10115	6.8
159.11684	17.1
161.13239	8.4
165.12810	6.9
171.08133	8.2
171.11694	16.1
173.13208	9.8
175.14792	10.6
179.14333	66.4
185.13174	8.9
189.11201	17.1
207.13719	11.5
227.12712	6.3
235.16985	7.1
259.20508	11.8
269.71890	5.2
277.21683	57.8
351.25464	44.5
352.21658	6.0
364.82010	6.6
369.23993	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2428
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
53.03958	5.1
55.01872	5.5
55.05501	17.5
56.96574	5.2
57.07066	11.6
67.05513	30.8
69.03439	9.6
69.07056	11.3
70.79214	4.1
70.79557	8.9
71.04987	10.9
78.35463	3.7
79.05504	18.3
81.07066	28.0
83.04993	10.7
83.08624	12.2
85.02904	4.7
85.06554	27.8
91.05496	44.2
93.07069	34.3
95.04978	89.2
95.08610	29.3
97.06513	23.6
97.10164	4.5
105.07037	53.9
107.04937	3.8
107.08596	44.1
109.06525	21.2
109.10177	19.7
111.08070	4.6
113.06015	7.2
115.05485	7.5
117.07040	18.6
119.08580	52.0
121.02818	5.4
121.06529	7.3
121.10149	29.2
123.08053	17.9
125.09647	8.7
128.06232	12.3
129.07030	10.7
130.07758	5.6
131.08572	57.1
133.06493	5.6
133.10147	32.7
134.62395	3.9
135.08055	30.2
135.11682	9.4
137.09615	16.2
141.07005	8.2
142.07787	14.8
143.08571	40.4
144.09344	7.4
145.06532	6.1
145.10133	41.0
146.07292	5.3
146.10869	4.7
147.04341	5.2
147.08051	21.2
147.11681	14.1
149.09619	21.9
151.07581	9.5
153.06929	4.2
155.08598	21.2
155.10664	7.6
156.09338	13.8
157.10173	32.4
158.10851	5.6
159.08072	10.6
159.11711	29.7
161.09628	36.1
161.13268	7.4
163.11253	6.3
167.08559	10.0
169.10153	24.5
170.10902	7.8
171.08093	4.5
171.11736	34.6
173.09583	21.6
173.13281	16.0
175.11261	11.5
175.14865	4.3
177.05592	4.6
177.12672	5.5
179.08533	8.9
180.09465	4.8
181.10117	15.0
182.10878	5.2
183.11742	28.5
185.09621	8.3
185.13275	17.3
187.11221	7.1
187.14844	6.7
189.12718	24.3
191.08717	4.0
191.14357	4.1
192.09323	5.8
193.10167	10.3
193.12047	4.3
194.10985	7.7
195.11786	20.3
196.12575	4.6
197.13249	15.6
199.11183	8.2
199.14890	6.8
201.09132	3.8
201.12790	13.5
203.14285	11.6
207.11839	8.5
207.13812	16.5
208.12485	5.3
209.13295	28.0
211.11145	11.2
211.14838	13.6
213.12781	18.8
215.14322	10.8
217.16147	4.7
219.11687	5.8
220.12645	4.9
221.13420	9.1
221.15398	10.8
223.14847	15.0
225.12730	6.0
225.16368	10.2
227.14261	8.9
229.12329	10.8
229.15881	5.3
233.13232	9.7
235.14792	7.3
237.12599	5.0
239.14374	7.0
241.15866	13.4
249.16287	6.8
250.17163	6.0
251.14253	5.4
251.17949	9.4
257.15466	4.9
265.19559	5.5
267.17438	14.7
269.15442	8.4
269.19006	6.7
271.16867	7.8
275.18045	9.3
281.18887	7.6
283.20496	4.6
293.18991	17.4
309.22211	10.9
311.20117	17.2
313.17902	5.1
333.22058	13.6
337.10696	7.4
351.23285	44.0
369.20270	68.0
369.24280	100.0
369.29370	8.2
370.24759	6.4
386.91995	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2425
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
50.33001	6.2
55.01862	7.6
55.05501	20.1
57.07089	7.2
59.31862	4.7
67.05505	38.5
69.03400	6.5
69.07084	29.5
69.35326	36.1
69.73497	5.1
71.05001	7.1
77.03934	6.7
79.05493	32.7
80.54109	5.0
81.07059	43.3
83.05006	5.8
83.08616	13.0
85.06530	6.9
91.05470	41.9
93.07059	39.8
95.04973	26.1
95.08609	82.3
97.06517	14.4
105.07038	73.3
107.08604	71.0
109.06493	12.9
109.10168	36.9
111.04446	5.9
111.08065	37.3
117.06989	22.4
119.08591	100.0
121.06527	9.4
121.10144	40.6
123.08037	11.4
123.11697	9.5
128.06194	10.9
129.06992	20.7
131.08563	37.6
133.06471	6.3
133.10133	57.2
135.08080	28.1
135.11703	26.0
137.05998	85.3
137.09621	9.4
141.06956	8.2
142.07774	18.4
143.08568	36.5
143.45195	5.4
145.10127	59.2
147.08022	19.9
147.11624	26.4
149.09636	23.1
149.13155	5.5
151.07549	6.8
155.08543	13.2
156.09343	20.6
157.10162	46.2
158.10815	7.7
159.08051	15.9
159.11708	41.0
161.09653	10.1
161.13235	12.1
163.07541	8.7
163.11212	5.4
163.14862	7.6
167.08530	8.7
168.09364	7.6
169.10112	26.7
170.10855	13.4
171.11650	32.3
173.09695	7.1
173.13271	28.3
173.68011	5.6
175.11079	8.8
175.14838	44.4
179.08521	7.8
181.10101	17.3
182.10953	7.0
183.11705	28.3
185.13274	19.3
187.11157	6.6
187.14851	34.7
191.14413	5.5
193.10071	13.4
195.11711	15.9
196.08847	7.5
196.12413	7.1
197.13255	22.0
199.14839	14.0
201.12727	12.7
204.98390	5.6
205.15939	9.3
207.13719	9.1
209.13277	22.6
211.11192	17.3
211.14871	14.4
213.16331	8.5
215.14198	6.9
217.15883	5.5
221.13187	7.8
223.14922	10.6
233.13202	5.5
233.15297	10.3
235.14876	7.0
239.18048	8.6
252.18637	6.6
257.15344	14.5
258.49847	6.0
265.19452	7.5
267.17657	6.8
269.15384	6.4
270.19684	7.1
271.16840	6.4
285.18387	7.6
291.21436	6.7
295.16708	8.2
333.22412	7.1
351.23163	29.2
369.24167	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
55.01862	5.0
55.05510	5.7
57.03434	2.7
59.05005	3.2
61.01142	3.2
61.02940	4.2
65.03941	2.7
65.25436	2.3
67.05506	9.8
69.03438	21.7
69.07077	7.0
69.34669	2.3
70.06577	3.8
71.04993	7.5
71.51038	4.5
73.02930	4.3
79.05505	12.3
81.03409	7.6
81.07045	14.2
83.04975	12.3
84.08149	2.8
85.02430	4.3
85.02907	44.0
85.06544	5.4
86.09702	4.1
87.04469	6.4
89.00629	6.4
89.03932	7.5
91.05478	13.2
93.07053	12.2
95.04991	8.2
95.08602	9.5
97.02903	14.3
99.04411	5.6
105.07047	22.1
107.04956	5.5
107.08604	11.5
109.02889	6.4
109.06541	7.8
109.10162	9.5
111.04460	3.7
115.03960	3.2
115.05485	3.0
117.03387	25.1
117.07030	8.3
119.08566	15.7
121.06524	8.8
121.10161	8.6
123.08060	6.9
123.11712	11.5
125.06039	4.9
127.03927	8.8
128.06189	2.6
130.04187	3.2
131.04921	7.6
131.08578	10.3
133.06476	5.7
133.10088	14.2
135.08057	7.7
137.05998	9.4
137.09619	4.2
139.07549	3.4
141.06950	2.7
143.08583	4.2
145.02852	52.2
145.04897	6.5
145.10156	8.9
147.08022	7.7
147.11681	9.1
148.05186	3.7
149.06018	11.6
149.09621	16.5
151.07545	4.0
151.11172	16.8
156.09341	3.0
157.10168	4.0
159.08011	3.3
159.11746	4.1
161.05977	5.2
161.09692	6.9
161.13258	4.0
163.07541	6.8
163.11189	19.3
171.11659	5.8
173.09572	3.4
174.10416	8.7
176.07274	2.6
177.05482	100.0
179.10764	5.4
181.04941	2.9
183.11748	6.2
185.09703	2.5
189.09213	3.0
189.12752	40.5
191.14320	21.0
205.12311	4.4
207.10115	5.7
207.13826	46.1
219.13776	4.7
229.12286	3.0
237.14961	2.8
351.18057	10.4
369.15143	31.8
369.19196	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	368.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01886	6.3
55.05267	1.8
55.05517	23.4
57.03422	3.8
57.07058	2.2
58.06609	9.4
58.99580	1.5
60.04533	25.6
61.01146	5.4
62.01487	1.9
64.27531	1.1
67.05193	1.6
67.05516	21.8
68.05027	2.3
69.03423	5.5
69.07073	17.1
69.85815	6.5
70.06602	2.1
71.04994	11.6
72.04519	2.0
77.88614	1.5
79.05499	24.4
81.03422	2.0
81.07059	22.9
83.04994	2.9
83.08630	12.6
83.09076	2.1
84.08160	8.6
85.06543	3.6
86.09711	29.8
88.07633	4.3
89.00616	5.4
91.05495	12.0
93.06564	1.7
93.07058	18.7
94.06564	2.7
95.04959	7.2
95.08611	12.4
96.08167	3.1
97.06537	4.6
97.10184	20.9
100.07629	2.6
103.32159	1.2
105.07037	11.2
107.04963	3.6
107.08600	13.9
108.08121	2.7
109.06516	7.2
109.10173	3.4
110.06046	2.0
111.08096	2.2
112.07616	34.6
113.06017	2.2
114.09202	2.0
117.07048	7.8
118.07368	1.5
119.08588	9.0
121.06493	3.6
121.10152	9.8
122.09692	8.2
123.08084	4.5
123.11708	2.1
124.07563	1.6
125.09641	15.5
126.09142	3.0
127.88619	1.3
128.10722	31.8
129.07001	2.5
130.07388	1.4
130.08620	2.7
131.08604	10.7
132.08939	2.0
133.10153	4.6
135.08075	5.0
135.11693	1.6
137.09589	2.0
138.12775	3.8
139.81136	1.1
141.06908	1.7
142.07693	2.0
143.08578	2.7
144.08913	3.3
145.10159	7.0
146.09538	1.8
146.10547	2.1
147.08009	2.2
147.11722	3.2
148.11281	2.9
149.09663	2.0
154.08670	8.2
157.10185	6.0
158.10478	3.8
159.11688	3.5
161.13252	1.9
162.04489	1.4
169.10188	1.9
171.11765	2.6
172.09726	12.0
172.12074	2.9
173.13284	2.2
174.09921	1.7
174.13521	1.3
175.11250	1.3
177.12759	2.8
180.13866	14.1
181.10146	2.3
182.10516	4.4
182.15414	2.6
185.09441	1.5
185.13223	1.4
186.09949	2.9
187.11201	3.1
189.11217	10.6
199.11169	1.8
200.11549	3.8
201.12794	1.8
204.11151	1.8
216.11073	1.9
217.15816	2.2
221.15359	2.9
223.13341	5.7
224.16502	2.1
227.10652	2.3
228.11076	5.0
229.12430	1.2
246.12140	2.3
268.15744	1.8
272.20139	2.8
273.18542	7.0
276.20233	1.4
290.21182	11.3
291.19464	8.1
303.71658	1.3
308.22266	16.9
322.11917	3.8
325.43979	1.3
332.22198	1.9
350.23322	23.2
368.24356	100.0
369.24692	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	367.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04733	0.7
55.01888	0.7
55.05517	10.4
56.25214	0.8
57.07071	3.7
62.46034	0.7
67.05508	8.1
69.07070	15.4
70.91071	2.1
71.04993	3.2
71.08630	2.1
72.08160	8.2
79.05505	3.3
81.07061	10.0
83.04967	1.3
83.08629	6.6
84.95165	0.8
85.02912	90.9
85.06548	1.6
91.05481	6.6
92.19138	0.7
93.07065	4.5
95.04994	1.3
95.08615	10.4
97.06525	3.2
97.10169	5.0
99.08123	1.1
105.07030	3.2
107.08604	3.0
109.10174	6.5
111.04445	0.9
111.08083	1.2
111.11755	1.5
113.06015	4.3
117.07028	0.9
117.37125	0.9
119.08577	1.9
121.10157	3.2
123.11707	2.5
124.81361	0.7
129.10269	2.3
131.08559	1.0
133.10141	2.1
135.11713	2.0
145.10117	0.9
147.11690	1.1
161.13255	1.3
169.10220	1.0
183.78281	0.8
273.25803	1.7
291.26758	1.4
293.21051	1.0
349.31039	100.0
350.31516	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	367.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01651	1.1
55.05514	13.7
57.07059	3.2
67.05511	6.7
69.07076	13.7
71.04980	2.3
71.08643	2.4
72.08141	2.0
73.68774	1.1
76.26838	0.9
79.05489	5.5
79.33466	0.9
81.07045	13.1
83.04936	1.2
83.08635	7.5
85.02907	91.8
85.06544	1.8
86.18165	0.9
91.05463	4.1
93.07034	5.4
95.04954	1.4
95.08610	12.4
97.06545	2.7
97.10198	4.9
98.21613	2.0
103.43944	1.1
105.07018	2.5
107.08585	4.4
109.10145	4.3
111.11707	1.6
111.26722	1.0
113.06003	5.3
117.06964	1.1
119.08548	2.2
121.10105	3.7
123.10728	1.0
123.11700	3.0
127.07588	1.4
131.08618	1.6
133.10077	2.0
135.11714	2.5
139.89485	1.2
145.10054	1.5
147.11732	1.3
159.11752	1.2
161.13232	1.4
273.25775	1.3
293.20935	1.3
349.31021	100.0
350.31375	4.1
367.26385	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	8.4
55.05527	28.0
56.96535	4.9
59.05008	10.4
60.05272	5.2
67.05511	14.5
69.03428	11.8
69.07079	7.5
69.84637	26.2
70.06598	17.3
72.08162	12.5
81.07056	10.0
83.05003	8.4
83.08627	47.1
84.08160	21.3
85.02901	20.7
85.06544	19.2
87.04474	8.2
89.00600	7.3
91.05452	10.8
93.07052	8.2
95.04972	33.6
95.08625	7.7
97.02911	8.2
97.06545	6.4
97.10188	11.4
98.06097	7.4
98.20700	5.9
98.97596	10.5
105.07024	15.2
107.08591	28.0
108.42432	5.5
109.10173	8.4
111.08118	32.1
113.06020	18.5
115.07592	12.9
117.07015	9.5
119.08550	6.4
120.08099	9.4
125.09634	31.5
127.03893	8.5
130.08647	9.2
131.07027	9.4
131.08594	9.7
135.04443	10.8
135.08049	19.5
141.09059	7.6
143.08614	8.0
143.10689	11.1
147.24736	5.3
153.09119	90.4
157.10117	7.0
159.11639	6.9
163.03900	14.1
171.10187	100.0
173.13306	12.0
177.05495	15.6
183.11728	21.2
187.11197	9.1
189.11247	85.9
201.12749	18.6
217.05634	5.8
226.69992	5.9
229.12282	9.7
272.11020	6.2
360.80615	6.3
368.12411	7.5
368.17075	9.6
369.14066	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	368.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	6.6
55.05503	17.2
55.93512	6.2
55.96078	5.7
56.31694	5.5
59.05007	5.6
60.04525	8.3
61.02916	6.5
67.05493	10.3
69.03432	12.4
70.04537	5.8
70.06598	18.1
70.96485	5.4
71.49006	7.7
72.08186	7.4
74.06105	9.8
81.03445	7.6
81.07059	11.8
83.08620	33.9
84.08180	33.1
85.02898	15.9
85.06542	14.5
87.04491	9.7
91.05481	10.3
93.07024	11.0
95.04982	43.4
95.08599	6.4
97.02897	9.8
97.05293	5.9
97.06544	12.0
98.06081	7.2
100.07626	6.5
107.08616	19.6
110.07111	8.6
111.08085	25.2
113.06010	23.7
115.07599	6.6
120.08094	10.4
125.09648	35.7
127.03928	10.4
129.10231	11.5
131.07043	9.5
135.08080	19.2
136.07574	9.4
137.06007	9.6
143.10672	12.1
153.09114	74.4
171.10182	100.0
177.05475	8.3
179.03380	8.9
189.11243	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01886	6.3
55.05267	1.8
55.05517	23.4
57.03422	3.8
57.07058	2.2
58.06609	9.4
58.99580	1.5
60.04533	25.6
61.01146	5.4
62.01487	1.9
64.27531	1.1
67.05193	1.6
67.05516	21.8
68.05027	2.3
69.03423	5.5
69.07073	17.1
69.85815	6.5
70.06602	2.1
71.04994	11.6
72.04519	2.0
77.88614	1.5
79.05499	24.4
81.03422	2.0
81.07059	22.9
83.04994	2.9
83.08630	12.6
83.09076	2.1
84.08160	8.6
85.06543	3.6
86.09711	29.8
88.07633	4.3
89.00616	5.4
91.05495	12.0
93.06564	1.7
93.07058	18.7
94.06564	2.7
95.04959	7.2
95.08611	12.4
96.08167	3.1
97.06537	4.6
97.10184	20.9
100.07629	2.6
103.32159	1.2
105.07037	11.2
107.04963	3.6
107.08600	13.9
108.08121	2.7
109.06516	7.2
109.10173	3.4
110.06046	2.0
111.08096	2.2
112.07616	34.6
113.06017	2.2
114.09202	2.0
117.07048	7.8
118.07368	1.5
119.08588	9.0
121.06493	3.6
121.10152	9.8
122.09692	8.2
123.08084	4.5
123.11708	2.1
124.07563	1.6
125.09641	15.5
126.09142	3.0
127.88619	1.3
128.10722	31.8
129.07001	2.5
130.07388	1.4
130.08620	2.7
131.08604	10.7
132.08939	2.0
133.10153	4.6
135.08075	5.0
135.11693	1.6
137.09589	2.0
138.12775	3.8
139.81136	1.1
141.06908	1.7
142.07693	2.0
143.08578	2.7
144.08913	3.3
145.10159	7.0
146.09538	1.8
146.10547	2.1
147.08009	2.2
147.11722	3.2
148.11281	2.9
149.09663	2.0
154.08670	8.2
157.10185	6.0
158.10478	3.8
159.11688	3.5
161.13252	1.9
162.04489	1.4
169.10188	1.9
171.11765	2.6
172.09726	12.0
172.12074	2.9
173.13284	2.2
174.09921	1.7
174.13521	1.3
175.11250	1.3
177.12759	2.8
180.13866	14.1
181.10146	2.3
182.10516	4.4
182.15414	2.6
185.09441	1.5
185.13223	1.4
186.09949	2.9
187.11201	3.1
189.11217	10.6
199.11169	1.8
200.11549	3.8
201.12794	1.8
204.11151	1.8
216.11073	1.9
217.15816	2.2
221.15359	2.9
223.13341	5.7
224.16502	2.1
227.10652	2.3
228.11076	5.0
229.12430	1.2
246.12140	2.3
268.15744	1.8
272.20139	2.8
273.18542	7.0
276.20233	1.4
290.21182	11.3
291.19464	8.1
303.71658	1.3
308.22266	16.9
322.11917	3.8
325.43979	1.3
332.22198	1.9
350.23322	23.2
368.24356	100.0
369.24692	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	367.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
55.05513	15.1
57.07078	13.4
59.04986	1.9
59.17222	1.5
67.05509	15.5
69.03430	20.0
69.07066	16.0
71.01347	4.7
71.05000	4.4
71.08644	7.0
79.05499	7.8
81.03407	3.0
81.07063	19.9
83.04976	4.6
83.08614	13.7
85.02908	100.0
85.06539	3.5
85.10180	5.2
88.26567	1.3
91.05476	3.9
93.07053	5.8
95.04962	5.9
95.08617	17.8
95.89214	1.4
97.06541	12.1
97.10192	9.4
99.08069	1.8
103.03952	2.9
105.07030	3.5
107.08612	4.5
109.06519	3.9
109.10162	7.5
111.04445	13.5
111.08092	3.1
111.11727	3.1
113.05995	6.5
113.96616	1.3
119.08575	3.0
121.10139	4.1
123.11721	4.1
125.13219	1.9
127.07569	11.4
133.10139	2.2
135.08063	1.5
135.11682	3.7
137.13269	1.6
147.11713	2.1
222.01465	1.4
249.25819	1.6
250.92052	1.5
273.25668	2.9
287.77771	1.3
291.26849	7.4
305.28436	6.5
307.29959	10.1
323.29837	1.7
331.29959	1.5
349.31036	41.1
349.35062	2.8
350.31787	2.1
367.32077	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	367.2845
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
53.03953	2.2
55.01867	2.3
55.05266	1.5
55.05511	13.2
57.07085	7.6
61.26532	1.0
66.91875	0.9
67.05506	18.1
69.07071	23.4
69.71334	4.3
69.71741	1.7
71.05003	3.7
71.08638	12.3
71.75890	1.1
72.08195	1.2
79.05498	10.3
81.07059	25.6
83.04973	4.0
83.08627	9.0
85.06548	2.6
91.05491	8.5
93.07053	16.1
95.04992	5.6
95.08609	23.9
97.06542	4.4
97.10171	3.1
98.20778	2.3
99.08100	11.8
103.05453	1.3
105.07035	14.9
106.00081	1.2
107.08592	17.7
109.06528	8.6
109.10157	13.9
111.04467	2.7
111.08072	5.3
117.07021	2.2
119.08583	12.1
121.06504	3.5
121.10139	9.7
123.08064	28.2
123.11699	6.1
125.06001	3.3
125.09653	2.2
129.06958	1.9
131.08582	3.7
133.10144	12.9
135.04402	1.2
135.08078	7.8
135.11694	6.4
136.30002	1.0
137.05998	2.8
137.09618	3.6
137.13228	2.1
139.07562	1.8
143.08588	4.0
145.10123	6.8
147.11674	5.0
149.09628	5.1
149.13249	4.6
151.11176	1.5
153.12729	4.7
156.09311	1.1
157.10088	2.9
159.11723	5.9
161.09654	2.2
161.13283	3.7
163.11200	2.5
163.14838	1.4
165.12842	1.6
167.14288	1.3
169.10120	2.6
171.11726	3.2
173.09584	1.3
173.13315	2.1
175.14771	2.6
177.12814	1.3
177.16362	1.5
179.12750	1.9
179.14330	39.2
181.10100	1.8
181.12271	2.3
181.15849	1.4
183.11719	2.7
185.13246	1.8
187.11188	1.3
187.14865	1.3
189.16344	2.1
191.14346	2.3
195.11703	1.2
207.11629	2.4
207.50119	1.2
209.13353	2.0
251.20081	10.2
275.20041	1.7
285.26077	1.3
293.21127	12.0
293.28311	5.1
303.26855	12.7
308.54764	1.0
309.18579	1.8
313.25238	2.2
321.27917	6.8
325.50693	1.0
331.26324	44.6
332.26730	1.4
349.27390	100.0
350.27698	2.5
367.18747	2.7
367.22696	6.9
367.28046	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	367.2845
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
53.03945	1.8
55.01876	5.3
55.05516	27.8
57.03448	1.6
57.07078	22.1
65.03953	1.3
67.01857	5.3
67.05512	17.4
68.99799	22.0
69.03416	2.2
69.07075	36.6
69.25325	10.4
71.01362	2.0
71.04978	1.2
71.08636	11.2
75.14170	1.0
79.05502	10.2
80.68802	1.1
81.03423	2.7
81.07063	17.4
83.04996	7.1
83.08628	22.0
84.75523	1.2
85.06544	2.3
85.10184	4.6
87.00772	1.0
91.05493	5.1
93.07045	16.5
95.04985	2.8
95.08619	14.9
97.02876	3.1
97.06535	11.4
97.10162	14.4
105.07035	4.0
106.10260	1.1
107.04974	2.3
107.08597	14.3
109.06525	3.7
109.10168	7.2
111.00815	47.9
111.04453	15.5
111.08080	5.7
111.11700	2.5
113.02354	1.4
117.07044	1.5
119.08562	4.8
121.06512	3.2
121.10145	11.8
123.08056	2.3
123.11697	3.5
125.06010	5.9
125.09635	4.8
126.03123	3.3
127.03922	17.4
131.08594	2.4
133.10141	3.3
135.08084	5.3
135.11705	9.9
137.09619	1.5
139.03912	31.9
139.07529	4.0
139.11177	2.3
145.10126	3.4
147.11670	2.1
149.09645	2.9
149.13272	5.8
153.05508	2.1
153.09085	3.0
153.12730	1.0
159.11690	1.9
163.11238	2.1
163.14851	3.3
167.07074	3.5
167.10706	3.4
171.10252	1.3
173.13271	1.7
177.09128	1.3
177.12724	2.4
179.10730	1.7
179.14360	1.3
181.08623	5.2
181.12238	3.0
185.11743	2.3
191.14343	2.3
195.10164	7.4
195.13828	2.7
199.13347	2.1
205.15924	2.4
209.11754	14.0
209.15344	2.8
213.14891	1.7
223.13283	13.2
223.16910	2.1
237.14867	20.1
247.24321	2.3
251.16464	22.0
251.20381	1.8
265.15353	1.6
265.18045	22.2
265.25262	2.1
271.24234	1.5
279.19559	19.4
289.25320	1.6
293.21191	17.2
303.26965	1.4
307.22751	4.8
307.26346	5.3
331.26202	1.5
349.27405	100.0
350.27701	3.0
367.23468	1.8
367.28537	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2847
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
53.03944	2.1
55.01875	6.8
55.05277	2.9
55.05518	32.7
57.06827	2.2
57.07080	24.3
67.01856	5.0
67.05508	18.9
68.29490	1.5
68.99794	19.6
69.03431	3.2
69.07077	36.0
71.04978	3.0
71.08639	10.4
73.06573	1.4
79.05508	11.4
81.07059	22.2
83.04989	8.1
83.08633	19.5
85.06536	1.7
85.10182	6.5
87.00842	1.4
91.05479	5.1
93.06557	2.0
93.07059	19.4
95.04938	2.1
95.08617	17.2
97.02885	2.7
97.06540	13.1
97.10169	13.4
97.18592	1.3
98.21548	6.0
105.07030	4.9
107.04938	3.1
107.08593	13.4
109.06520	4.5
109.10166	8.6
111.00818	44.1
111.04454	13.6
111.08097	6.9
111.11726	3.1
117.07019	3.1
119.08586	3.5
121.06498	5.5
121.10155	13.0
121.85210	1.4
123.04547	1.8
123.08091	3.1
123.11707	2.6
125.06001	5.6
125.09608	4.4
126.03149	3.8
127.03941	14.7
131.08566	3.3
132.28209	1.4
133.10139	4.4
135.07051	1.4
135.08066	5.9
135.11682	9.7
137.09586	2.0
137.13217	2.1
139.03915	35.1
139.07515	3.6
139.11142	3.7
145.10056	2.2
147.11618	2.5
149.06006	1.5
149.09619	3.9
149.13231	5.7
153.09109	5.4
153.12733	1.7
159.11699	2.2
163.11162	3.2
163.14821	3.2
167.07027	4.1
167.10759	3.1
171.10159	2.1
173.13280	2.2
177.12729	3.0
179.10692	3.6
181.08598	5.7
181.12192	5.6
185.11732	3.4
195.10191	8.6
195.13843	2.1
199.13278	2.3
209.11720	13.9
209.15416	1.9
223.13306	17.6
223.16840	2.1
237.14877	20.6
237.18520	2.6
251.16461	21.1
265.18005	19.6
265.25333	2.1
279.19550	16.5
293.21124	14.6
305.20944	2.4
307.22623	5.1
307.26309	5.7
349.27405	100.0
350.27713	2.1
367.23550	2.3
367.28577	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	367.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52770	3.0
53.03954	5.9
55.01865	3.7
55.05519	38.1
57.03426	4.3
57.07080	36.9
59.35665	2.8
61.02917	7.8
65.38571	2.5
66.17927	3.0
67.05511	36.8
69.03439	5.2
69.07072	57.7
70.75529	6.2
70.75861	4.3
71.04983	4.8
71.08640	17.7
71.11240	2.7
79.01073	3.4
79.05499	93.9
81.07067	45.5
83.04986	23.3
83.08625	37.1
85.10180	9.6
91.05479	30.9
93.03402	3.7
93.07047	100.0
95.04945	9.0
95.08610	41.7
97.06543	21.9
97.10186	30.4
105.07035	36.2
107.04973	15.6
107.08587	57.1
109.06514	10.6
109.10147	20.4
111.04433	7.4
111.08093	5.9
111.11717	11.5
116.20072	2.9
117.06997	11.4
119.08588	34.8
121.02874	3.7
121.06547	16.4
121.10146	47.8
121.28120	3.4
123.08049	6.7
123.11698	9.7
124.31617	2.9
125.06003	26.6
125.09628	4.6
125.13273	3.1
129.07028	6.3
130.07809	2.9
131.08560	23.8
133.10136	18.2
135.08047	11.1
135.11711	27.2
139.07556	29.9
142.07767	4.6
143.08557	4.8
145.10117	22.9
147.11707	6.9
149.09685	14.1
149.13239	10.9
151.07590	6.8
153.05475	10.7
153.09120	8.9
154.82510	3.2
157.10109	9.0
159.11690	11.6
161.09659	5.7
161.13283	3.6
163.07581	3.5
163.11188	4.6
163.14746	4.2
165.09166	3.1
167.10767	6.6
173.13301	7.8
175.11206	7.2
175.14894	4.5
177.09172	4.8
177.16335	3.7
185.13326	4.1
187.14819	7.3
191.10776	5.6
191.14220	5.2
200.57782	3.2
203.14246	3.2
205.15852	17.7
259.24094	4.8
261.25784	57.0
261.45490	3.1
279.26926	3.6
285.25745	8.8
299.94583	3.2
303.26834	11.5
321.27930	15.3
331.26321	11.9
349.27350	12.7
367.26501	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	367.2844
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
53.03947	2.6
55.01861	4.5
55.05270	2.7
55.05515	30.8
57.07076	24.5
66.50313	1.6
67.01871	12.7
67.05510	19.6
68.99796	55.3
69.03429	4.6
69.07070	34.6
71.04980	3.3
71.08630	10.8
79.05500	11.0
81.03421	2.6
81.07065	18.5
83.04969	6.0
83.08631	21.7
84.08146	8.7
85.02888	1.7
85.10190	6.9
87.00815	3.9
91.05483	5.4
93.07049	17.5
95.04995	1.9
95.08601	16.9
97.02888	4.6
97.06528	11.9
97.10189	13.8
99.04449	3.4
105.07045	2.7
107.04953	2.9
107.08592	14.9
109.06502	2.0
109.10176	5.3
111.00810	93.7
111.04453	13.5
111.08087	5.0
111.11720	4.3
117.07057	1.8
119.08615	3.0
121.06485	2.0
121.10151	14.2
123.11727	2.8
125.06000	4.0
125.09613	4.0
126.03172	4.9
127.03929	43.3
129.10257	12.4
131.08562	2.2
133.10139	2.8
135.08057	3.2
135.11711	11.0
137.09621	2.0
138.56853	1.4
139.03911	39.7
139.07549	3.3
139.11192	2.0
145.10115	2.4
146.24178	1.5
147.11656	1.9
149.09673	1.9
149.13255	5.7
151.07449	1.4
153.05473	2.3
159.11702	3.2
163.11203	3.5
167.07043	3.7
167.10735	4.1
171.10274	1.3
181.08589	4.3
181.12227	2.5
185.11751	2.2
195.10167	6.8
195.13765	2.5
199.13132	1.8
209.11687	9.0
209.15221	1.4
213.14955	1.6
223.13275	17.9
223.16922	2.8
237.14890	18.0
251.16435	18.0
265.18015	17.1
265.25165	2.2
271.24207	2.4
279.19571	14.0
289.25323	1.8
293.20993	10.2
307.22849	3.4
307.26254	7.1
349.27393	100.0
350.27670	2.5
367.24396	2.8
367.28488	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	7.0
55.01884	4.9
55.05518	22.3
57.03441	5.7
57.07082	7.1
58.37003	4.0
59.05005	4.4
59.98791	3.8
67.05508	50.4
68.11448	3.9
69.03426	7.0
69.07086	31.6
71.51967	5.8
79.05499	35.9
81.07069	59.9
83.08630	12.6
85.02933	4.2
85.06562	7.7
91.05484	52.1
93.07051	83.4
95.04980	26.5
95.08613	62.0
97.06539	11.9
97.10131	5.2
100.32587	4.0
105.07037	87.7
107.08611	59.4
109.06518	18.2
109.10163	45.9
111.08076	6.0
115.05445	9.9
117.07048	13.6
119.08585	100.0
119.09370	7.2
121.06530	9.3
121.10154	40.2
123.08095	10.3
123.11716	13.3
128.06232	8.6
129.07033	18.6
130.07765	9.8
131.08597	46.6
133.10143	54.4
135.08075	12.1
135.11719	19.0
141.07010	4.9
142.07773	20.9
143.08575	33.0
144.09357	7.8
145.10139	67.1
147.08063	8.9
147.11693	18.9
149.09625	14.9
149.13226	6.5
155.08575	10.8
156.09392	15.4
157.10138	47.2
159.11716	42.5
161.09631	33.6
161.13300	13.7
163.11201	8.0
167.08662	8.0
169.10132	21.5
170.10878	11.1
171.11697	24.5
172.12526	5.4
173.09665	11.3
173.13347	21.6
175.11246	7.9
175.14844	11.5
179.08485	8.4
181.10146	8.0
182.10872	6.0
183.11670	22.1
185.09624	6.0
185.13306	14.8
187.14874	10.8
193.10091	4.8
194.10966	6.4
195.11694	9.5
197.13295	17.0
199.14897	9.8
200.15645	4.0
201.12790	5.7
201.16441	6.3
207.11775	7.0
209.13313	17.7
211.15019	9.2
213.12912	4.4
223.14833	7.9
225.12773	4.4
225.16414	6.7
227.14360	14.3
257.18985	8.6
265.19717	5.1
266.33173	4.0
267.17410	4.9
312.48477	3.9
367.26147	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.9
55.05515	25.5
55.75093	3.5
57.03430	8.6
57.07070	10.7
61.38237	3.3
67.05508	34.7
68.53460	3.6
69.03419	9.5
69.07074	30.1
70.62259	3.8
71.04993	8.3
71.08601	5.1
72.08163	4.5
77.67359	4.4
79.05494	38.4
81.07059	59.6
83.04963	5.2
83.08616	10.7
84.86520	3.5
91.05482	48.7
93.07043	100.0
95.04981	24.1
95.08612	53.9
97.06537	12.3
98.20778	7.5
105.04488	5.0
105.07035	77.6
107.04985	4.2
107.08590	54.7
109.06531	21.0
109.10169	30.1
111.08099	11.3
113.05913	3.5
117.07020	8.9
119.08591	52.3
121.06504	13.0
121.10145	50.8
122.07307	4.8
123.08070	20.0
123.11695	15.7
123.12524	4.1
128.06248	5.2
129.07004	14.1
131.08592	28.4
133.10135	27.2
135.08064	52.7
135.11710	11.7
137.09657	6.8
139.07439	4.2
142.07825	23.8
143.08556	25.1
144.09334	4.2
145.10136	43.1
147.08031	11.2
147.11638	22.9
149.09628	33.3
149.13274	5.4
156.09416	5.6
157.10155	45.0
159.11690	13.0
161.09599	21.8
161.13281	7.4
163.11226	9.4
163.14848	7.4
169.10031	7.5
170.10878	5.4
171.11736	4.1
173.09644	10.0
173.13283	4.1
175.11192	16.3
175.14818	9.4
183.11746	6.3
185.13245	16.5
187.11060	6.5
187.14777	5.6
191.14330	33.9
193.15926	7.8
199.14838	5.5
201.12727	7.4
203.14265	30.2
205.15895	90.3
213.12692	6.8
217.15843	12.9
218.16656	25.2
227.14375	4.9
228.93629	3.9
263.06161	4.2
270.19769	4.5
271.20450	7.9
283.20441	9.2
287.19980	9.8
349.25128	5.4
356.86670	4.2
367.26370	69.9
368.42392	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	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.5
54.89392	3.3
55.05518	27.3
57.03416	3.4
57.07072	12.6
65.03944	3.0
67.05177	4.1
67.05512	45.5
69.03433	10.5
69.07072	24.9
69.76638	15.7
71.05000	11.7
79.05505	42.0
81.07064	54.5
83.04992	6.5
83.08627	8.5
85.06534	6.2
88.24100	2.7
91.05493	63.5
93.07055	86.6
95.04983	38.4
95.08611	61.2
97.06543	10.6
103.05482	6.5
104.70557	2.7
105.07042	92.0
107.08605	68.2
109.06517	15.9
109.10174	38.4
111.08114	5.8
115.05457	7.3
117.07033	22.6
119.04943	3.1
119.08595	100.0
121.06548	15.1
121.07324	3.0
121.10150	54.5
121.10948	5.2
123.08073	7.7
123.11695	13.5
128.06235	9.6
129.07045	20.6
130.07803	11.0
131.08582	69.8
133.06552	3.8
133.10153	68.8
135.08072	15.5
135.11679	23.9
137.09639	6.1
141.07016	6.8
142.07790	24.4
143.08585	48.3
144.09329	10.1
145.06535	2.9
145.10136	66.1
146.07268	6.6
147.08041	10.7
147.11713	23.2
149.09621	13.3
155.08551	20.4
156.09344	13.1
157.10162	55.5
158.10892	9.7
159.08069	6.9
159.11722	39.1
161.09650	44.9
161.13251	13.7
163.14874	3.4
166.07747	2.8
167.08604	10.0
168.09402	5.5
169.10159	24.2
170.10965	4.7
171.11708	31.7
172.12427	3.5
173.09627	6.7
173.13268	25.4
175.11224	4.7
175.14861	19.9
179.08572	8.1
181.10213	11.0
182.10922	4.4
183.11705	24.0
184.12411	4.4
185.09651	5.6
185.13272	18.0
186.14012	3.8
187.11195	4.3
187.14882	11.2
193.10152	5.8
194.10950	6.9
195.11708	15.5
196.12440	3.4
197.13322	19.9
199.11224	3.3
199.14821	16.0
201.16432	8.1
206.10991	3.9
207.11731	4.9
208.12473	5.1
209.13315	22.3
211.14827	11.5
213.12810	5.7
213.16360	5.4
215.14441	3.4
223.14964	6.6
225.12770	3.1
225.16418	7.4
227.14330	18.2
227.17868	3.6
235.14742	3.2
237.16373	3.6
239.14383	3.5
239.17941	8.4
251.17844	4.1
265.19565	5.2
267.17413	3.6
269.18906	4.9
271.20773	3.0
275.17838	3.4
283.20590	3.5
347.11075	3.1
349.25320	11.1
367.26483	13.9
379.40457	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	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	7.0
55.01884	4.9
55.05518	22.3
57.03441	5.7
57.07082	7.1
58.37003	4.0
59.05005	4.4
59.98791	3.8
67.05508	50.4
68.11448	3.9
69.03426	7.0
69.07086	31.6
71.51967	5.8
79.05499	35.9
81.07069	59.9
83.08630	12.6
85.02933	4.2
85.06562	7.7
91.05484	52.1
93.07051	83.4
95.04980	26.5
95.08613	62.0
97.06539	11.9
97.10131	5.2
100.32587	4.0
105.07037	87.7
107.08611	59.4
109.06518	18.2
109.10163	45.9
111.08076	6.0
115.05445	9.9
117.07048	13.6
119.08585	100.0
119.09370	7.2
121.06530	9.3
121.10154	40.2
123.08095	10.3
123.11716	13.3
128.06232	8.6
129.07033	18.6
130.07765	9.8
131.08597	46.6
133.10143	54.4
135.08075	12.1
135.11719	19.0
141.07010	4.9
142.07773	20.9
143.08575	33.0
144.09357	7.8
145.10139	67.1
147.08063	8.9
147.11693	18.9
149.09625	14.9
149.13226	6.5
155.08575	10.8
156.09392	15.4
157.10138	47.2
159.11716	42.5
161.09631	33.6
161.13300	13.7
163.11201	8.0
167.08662	8.0
169.10132	21.5
170.10878	11.1
171.11697	24.5
172.12526	5.4
173.09665	11.3
173.13347	21.6
175.11246	7.9
175.14844	11.5
179.08485	8.4
181.10146	8.0
182.10872	6.0
183.11670	22.1
185.09624	6.0
185.13306	14.8
187.14874	10.8
193.10091	4.8
194.10966	6.4
195.11694	9.5
197.13295	17.0
199.14897	9.8
200.15645	4.0
201.12790	5.7
201.16441	6.3
207.11775	7.0
209.13313	17.7
211.15019	9.2
213.12912	4.4
223.14833	7.9
225.12773	4.4
225.16414	6.7
227.14360	14.3
257.18985	8.6
265.19717	5.1
266.33173	4.0
267.17410	4.9
312.48477	3.9
367.26147	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01879	1.9
55.05510	7.4
56.11395	1.3
56.96573	1.5
57.03446	13.2
64.95955	1.4
67.05503	22.0
67.05836	2.0
69.07076	7.4
69.24344	7.5
69.24776	6.9
71.05006	2.6
79.05497	19.5
81.03426	2.2
81.07062	22.5
83.04944	2.0
83.08627	4.6
84.96068	1.8
85.06541	3.7
91.05488	31.4
93.07051	19.7
95.05001	2.9
95.08615	16.7
97.06519	2.5
99.04449	3.8
99.08060	2.3
105.07036	23.2
107.04966	3.9
107.08613	14.5
109.06545	3.4
109.10149	6.4
111.08092	2.4
117.07014	10.8
119.08596	18.1
120.63063	1.5
121.06495	3.7
121.10156	7.6
123.08064	2.3
129.06969	3.1
131.07089	3.2
131.08607	16.6
133.10152	10.6
135.08092	3.8
135.11696	5.6
141.06975	1.9
143.08615	4.2
145.10103	9.0
147.11716	4.1
149.09647	5.1
155.08589	2.3
157.10117	1.9
159.11723	8.1
171.11729	2.2
173.13252	4.8
175.11122	1.6
175.14882	2.4
183.11818	2.1
184.75851	1.7
185.13303	3.4
189.32420	1.7
201.16393	6.9
203.14369	6.7
219.17448	100.0
220.17857	2.7
257.19064	3.2
275.20078	18.0
293.21133	3.3
349.23740	13.9
367.23001	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01879	1.9
55.05510	7.4
56.11395	1.3
56.96573	1.5
57.03446	13.2
64.95955	1.4
67.05503	22.0
67.05836	2.0
69.07076	7.4
69.24344	7.5
69.24776	6.9
71.05006	2.6
79.05497	19.5
81.03426	2.2
81.07062	22.5
83.04944	2.0
83.08627	4.6
84.96068	1.8
85.06541	3.7
91.05488	31.4
93.07051	19.7
95.05001	2.9
95.08615	16.7
97.06519	2.5
99.04449	3.8
99.08060	2.3
105.07036	23.2
107.04966	3.9
107.08613	14.5
109.06545	3.4
109.10149	6.4
111.08092	2.4
117.07014	10.8
119.08596	18.1
120.63063	1.5
121.06495	3.7
121.10156	7.6
123.08064	2.3
129.06969	3.1
131.07089	3.2
131.08607	16.6
133.10152	10.6
135.08092	3.8
135.11696	5.6
141.06975	1.9
143.08615	4.2
145.10103	9.0
147.11716	4.1
149.09647	5.1
155.08589	2.3
157.10117	1.9
159.11723	8.1
171.11729	2.2
173.13252	4.8
175.11122	1.6
175.14882	2.4
183.11818	2.1
184.75851	1.7
185.13303	3.4
189.32420	1.7
201.16393	6.9
203.14369	6.7
219.17448	100.0
220.17857	2.7
257.19064	3.2
275.20078	18.0
293.21133	3.3
349.23740	13.9
367.23001	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	367.1884
Annotation	20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol
Peak:m/z	Relative Intensity
52.27697	3.0
56.96567	24.5
57.07069	3.3
67.05504	6.5
69.03432	4.7
69.07075	6.1
69.97136	2.9
70.84514	6.9
70.84859	4.2
71.95265	4.1
79.05495	10.5
81.07056	23.0
83.04975	3.2
85.06519	3.1
87.61581	3.3
91.05488	7.7
93.07040	8.9
95.08604	9.1
97.06516	5.0
105.07032	8.8
109.06520	5.9
110.97565	6.8
117.07020	5.8
119.08591	9.2
120.50813	3.2
121.06490	5.4
128.98643	4.6
129.06952	3.8
131.08557	3.6
137.09683	6.7
137.13292	6.6
143.08551	4.8
145.10115	4.8
147.11655	6.0
157.10181	4.4
169.10118	3.7
173.09584	3.7
195.13768	4.1
197.09552	5.5
203.05890	3.7
208.91600	3.1
213.08012	10.1
217.07375	3.5
225.07953	5.9
231.08911	7.5
241.11031	4.8
243.10165	4.8
251.09560	6.4
253.16583	3.4
255.09196	7.7
269.07950	4.8
269.10562	27.5
279.09247	3.4
287.11737	11.9
297.10391	3.6
301.05301	3.3
331.15817	6.8
349.16739	12.3
367.17908	100.0
368.18106	4.4
385.19009	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.5
55.01881	35.1
55.05517	32.3
57.03434	9.3
59.04992	3.8
61.01139	2.9
65.03939	2.7
67.05512	49.9
69.03422	6.7
69.07072	34.5
70.12582	2.7
70.72751	6.9
71.04993	4.8
72.65988	2.7
73.14346	2.7
79.05497	57.3
81.03413	6.9
81.07063	53.5
83.04969	10.4
83.08628	12.7
85.06503	3.7
87.17549	2.7
91.05489	42.8
91.73160	2.4
93.07050	56.1
95.04975	13.7
95.08618	35.7
97.06546	45.2
97.10165	11.6
98.21561	2.9
105.07044	50.2
107.04952	25.1
107.08613	47.8
109.06515	12.3
109.10175	19.3
111.08095	5.7
117.07029	19.4
119.08604	29.7
121.06516	8.3
121.10159	18.2
123.08048	7.1
123.11668	6.6
125.09615	11.4
129.07010	6.4
131.08600	24.3
133.09453	2.3
133.10161	26.5
135.08057	9.2
135.11696	12.3
137.09651	4.7
141.06958	4.3
143.08519	6.2
145.10117	26.0
147.11703	22.2
149.09639	38.4
149.13203	4.8
151.11195	4.1
153.09010	3.3
155.08574	4.7
157.10107	5.0
159.11702	16.5
160.51591	2.5
161.09677	3.1
163.11201	18.1
165.09113	4.6
169.10101	3.1
171.10251	5.8
171.11703	8.5
173.09674	4.5
173.13268	9.4
175.11227	4.8
177.12761	7.0
179.14343	3.2
181.05003	2.7
183.11707	5.7
184.16917	2.7
189.11227	11.0
189.12822	4.2
193.92578	3.2
197.13202	3.3
199.11183	6.9
201.12741	4.2
215.14493	3.2
225.87891	2.7
227.12860	5.2
229.19373	5.2
239.17998	7.3
245.11670	4.3
245.13925	5.6
247.20592	11.0
257.19092	14.7
265.12750	4.9
265.24319	2.8
275.20093	100.0
276.20532	4.5
293.21170	4.8
303.64151	2.7
349.23706	34.2
367.11676	3.9
367.18695	3.5
367.24567	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	367.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71934	1.9
53.03936	6.5
55.01865	6.9
55.05515	16.0
55.39051	2.0
56.96560	2.2
57.03439	2.9
59.04985	5.1
65.03948	5.1
67.05515	15.7
69.03429	8.0
69.07072	10.8
71.04989	9.6
71.51200	2.9
78.18070	2.0
79.05491	42.2
81.03429	3.9
81.07061	70.5
83.05003	10.8
83.08609	3.1
85.06534	8.8
87.04461	9.4
91.05483	39.4
93.07048	100.0
94.63381	2.2
95.04971	15.8
95.08610	6.8
97.02892	3.9
97.06544	21.0
99.04465	19.1
101.06020	4.3
103.05478	3.9
103.10442	2.1
105.07034	80.7
106.26952	2.2
107.04954	7.6
107.08599	21.7
109.06522	37.7
109.10161	3.7
115.03906	9.6
115.05383	3.2
117.07011	5.9
119.08583	55.3
121.06514	88.7
121.07383	5.0
121.10120	5.0
123.04430	2.4
123.08089	5.8
125.06007	2.5
127.07558	17.5
128.06250	7.0
129.05565	2.3
129.06999	12.0
131.08582	15.7
133.06465	7.7
133.10144	55.7
135.04436	4.2
135.08031	7.8
135.11757	3.0
137.05981	8.3
139.07564	9.7
140.99438	2.1
141.05365	2.4
141.06961	4.5
142.07758	12.3
143.08578	19.6
145.06490	3.4
145.10123	20.3
147.08138	12.1
147.11693	64.7
149.09685	3.6
155.08566	4.9
156.09319	8.9
157.10143	39.2
159.08049	5.6
159.11740	3.5
161.09564	4.4
161.13258	17.0
163.11151	2.8
166.07806	3.6
171.08047	2.7
171.11703	41.6
173.09595	3.1
173.13297	3.9
175.11188	37.4
181.10078	8.7
187.05954	4.7
189.11098	4.5
189.12750	65.4
193.12265	12.9
199.11171	32.9
207.10210	2.6
207.13782	14.3
217.12244	75.2
235.13275	16.0
253.10750	8.1
275.20074	6.2
303.15970	5.0
321.16931	10.4
331.15326	3.4
349.16458	15.3
349.23877	2.5
367.22049	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	367.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.7
55.05506	10.3
56.96560	8.3
57.07084	13.2
57.07318	2.4
57.41526	2.3
58.31124	2.2
59.04994	4.9
65.85606	2.5
67.05501	25.1
69.03432	66.7
69.07076	13.7
71.04980	5.4
79.05503	27.2
81.03421	3.9
81.07060	100.0
81.82338	2.2
83.04982	5.2
85.02890	4.6
85.06555	5.0
87.04469	3.6
91.05475	20.3
93.07050	52.3
95.04974	14.0
95.08613	55.7
97.02872	5.0
97.06529	10.9
99.04462	8.7
105.07036	31.6
107.04955	4.3
107.08598	19.5
109.06516	13.0
109.10157	14.0
110.97620	2.8
111.04479	6.4
111.08068	4.4
113.05998	2.5
115.03950	5.5
117.07003	7.6
119.08589	23.3
121.06509	45.5
121.10168	11.9
123.08091	4.6
123.11711	6.3
127.07577	8.6
128.06256	4.1
129.07054	3.2
131.08560	9.5
133.06485	5.0
133.10117	28.6
135.08087	4.6
135.11694	9.3
137.05994	3.9
137.09625	55.9
137.13260	61.7
139.07562	7.8
142.07800	5.1
143.08559	7.4
145.10127	13.2
147.08067	5.8
147.11694	25.8
149.09651	5.2
149.13255	3.0
151.11145	3.4
153.12761	2.6
155.08612	3.5
157.10153	16.5
159.11713	5.6
160.08923	2.6
161.09583	4.0
161.13252	6.2
165.12767	16.3
169.10104	2.7
171.02853	2.5
171.11707	12.1
173.13268	4.5
175.07520	2.4
175.11192	13.3
177.12769	9.8
189.12767	26.7
193.12326	8.1
195.13812	65.2
199.11185	9.4
201.12744	3.9
207.13744	3.8
208.88618	2.9
216.04112	2.3
217.12244	40.1
217.14302	3.6
227.09171	2.9
228.36838	2.5
235.13358	8.1
245.15395	7.4
253.10751	5.0
263.16409	19.0
269.10608	9.7
275.19980	3.6
279.42371	2.5
323.18588	3.9
336.72556	2.4
349.16507	51.7
367.12619	3.5
367.17880	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	367.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72721	3.9
53.03937	6.8
55.01873	9.4
55.05510	9.4
57.03437	4.2
60.39296	4.1
65.03911	4.8
67.05517	19.6
69.03433	5.7
70.91583	4.3
70.91898	6.1
75.93179	3.9
79.05505	48.6
81.03410	5.0
81.07054	18.3
83.04983	7.5
85.02895	5.6
91.05479	53.3
93.03392	4.8
93.07061	23.9
95.04984	16.2
95.08625	12.7
97.06520	24.5
99.04472	11.5
103.05465	9.6
103.86681	4.4
105.07039	98.4
107.04962	17.5
107.08613	18.8
109.06551	9.8
110.42286	4.5
111.04491	6.4
115.05472	13.6
116.06290	5.0
117.07043	20.2
119.04939	13.5
119.08582	22.6
121.06528	18.8
121.10156	4.5
123.04429	23.3
123.08103	19.1
123.63989	4.4
128.06242	26.4
129.07019	43.3
130.07774	7.7
131.04901	6.2
131.08594	31.3
133.06497	15.7
135.04439	13.4
135.08110	4.4
137.05968	6.3
141.06999	40.2
142.07779	21.6
143.08597	38.5
145.06526	20.3
145.10196	20.6
147.04431	7.5
147.08057	20.9
147.11667	4.9
149.06027	11.5
149.09631	8.2
152.06213	5.1
153.06982	16.1
154.07796	42.2
155.06023	5.1
155.08577	48.6
156.09354	13.2
157.06465	9.6
157.10149	17.5
158.07294	10.8
159.04422	7.4
159.08090	14.8
159.11661	16.1
161.06001	6.4
161.09706	7.7
163.07594	4.6
165.07014	10.5
166.07825	5.2
167.08568	14.7
169.10156	100.0
171.08066	17.2
171.11728	14.0
173.06020	11.5
173.09645	27.9
175.07600	8.1
177.05524	5.1
178.07893	5.8
179.08589	23.0
181.10152	8.9
182.07315	14.6
183.08086	11.2
184.08736	4.7
185.06023	7.5
185.09651	14.6
187.07588	7.3
187.11217	36.2
189.09137	5.9
193.05037	3.6
197.09627	87.8
199.11229	13.0
201.09129	27.1
203.07190	4.7
210.06741	4.8
213.09126	13.6
215.10698	86.4
225.09100	40.6
231.10181	16.5
233.11737	8.1
243.10204	72.5
261.11221	30.4
287.07248	4.1
367.21771	4.1
370.29361	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	367.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.9
55.01876	8.3
55.05266	2.1
55.05511	16.9
57.07061	2.2
59.05015	1.7
65.03922	3.6
67.05516	16.9
69.03420	7.4
69.07066	10.2
69.49434	3.6
69.49844	8.7
71.04998	15.0
73.17213	1.9
77.03906	2.7
79.05067	3.1
79.05496	42.7
81.03416	2.0
81.07063	48.6
83.04993	13.7
85.06526	8.0
87.04485	9.3
91.05479	36.5
93.07050	82.9
95.04981	19.4
95.08615	31.4
97.02896	3.3
97.06534	22.0
97.92798	1.7
98.21470	4.0
99.04462	14.2
101.06023	3.3
103.05453	2.4
105.04502	2.2
105.07034	97.1
107.04951	7.2
107.08605	56.2
109.06525	23.4
109.10165	2.7
111.08070	4.7
113.06014	1.8
114.77560	1.7
115.03938	8.1
115.05445	4.2
116.49545	1.9
117.06995	8.6
119.04971	2.0
119.08590	53.4
121.06509	45.6
121.10146	7.4
123.04421	3.4
123.08073	9.7
123.11692	3.8
125.06018	2.6
127.07575	12.2
128.06209	5.4
129.05476	3.3
129.07019	10.1
130.07826	2.5
131.08585	11.0
132.87297	1.8
133.06531	8.7
133.10143	43.3
135.04420	4.3
135.08054	21.2
135.11668	2.4
137.05988	6.3
137.11833	2.0
139.07516	10.3
141.05493	1.7
141.06973	2.8
142.07785	12.6
143.08553	13.9
145.06467	3.4
145.10138	21.3
147.08054	11.3
147.11694	100.0
149.05927	2.5
149.09602	3.6
149.13232	2.4
151.03931	1.8
151.07610	3.8
153.09135	3.1
154.07750	3.9
155.08542	4.2
156.09329	7.7
157.05025	3.2
157.06480	2.9
157.10129	29.1
159.08049	4.1
159.11716	2.1
161.06038	2.5
161.09621	5.4
161.13275	13.9
161.36606	1.9
163.11069	1.9
165.12781	20.5
166.07698	2.5
167.08553	2.7
169.10136	7.8
171.07980	3.4
171.11705	27.5
173.09683	9.3
173.13271	3.6
175.11180	39.2
179.10669	1.7
181.10136	7.2
185.09584	2.1
187.06058	4.3
189.12766	48.7
190.45950	1.9
193.12254	26.4
197.09607	5.6
199.11185	19.7
203.10805	1.9
207.13776	17.1
211.13263	8.5
215.10687	5.7
217.12244	64.2
225.09145	2.3
231.10175	3.5
235.13300	25.1
243.10194	3.0
245.11832	3.0
246.46056	1.6
249.11176	3.3
253.10808	2.1
253.14389	2.7
261.11246	2.3
267.12396	2.5
303.16025	3.2
307.15347	6.3
321.16946	13.8
331.15286	2.1
349.16483	16.5
367.12164	2.7
367.17465	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	367.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64061	2.6
53.03937	6.3
55.01858	11.5
55.05502	9.0
56.74621	2.6
57.03418	3.0
57.78203	2.7
59.72351	2.6
61.01145	6.8
65.03910	2.7
66.05187	2.8
67.05518	18.4
67.45491	2.4
69.03438	34.5
69.07062	8.0
70.70744	4.1
70.71086	6.4
71.05006	16.3
77.33382	2.9
77.69289	2.8
79.05495	31.6
81.03412	12.7
81.07065	28.2
83.04969	9.9
85.02896	6.8
86.84843	3.0
89.00633	5.1
91.05492	45.4
93.07046	27.3
95.04969	20.0
95.08607	11.1
97.02890	4.0
97.06530	8.6
99.04467	34.1
103.05468	8.0
105.07036	64.3
107.04971	16.1
107.08585	18.8
109.06520	15.0
111.04446	5.5
115.05460	11.9
117.07031	20.0
119.04922	12.1
119.08599	22.8
121.02906	3.2
121.06523	19.0
121.10136	8.6
123.08068	14.6
125.05980	2.8
125.09650	4.3
128.06229	16.5
129.07027	42.9
130.07858	3.5
131.04915	7.7
131.08557	43.2
133.06506	24.1
133.10135	11.9
135.04405	5.8
135.08038	8.4
137.06027	5.6
141.07002	22.9
142.07837	20.4
143.08565	43.8
145.06473	17.8
145.10133	28.8
147.04445	4.6
147.08054	13.5
147.11696	7.2
149.05988	7.2
149.09631	5.7
151.07492	8.3
153.07054	14.6
154.07776	10.2
155.08606	28.0
156.09335	19.4
157.06505	13.7
157.10136	37.1
159.08058	32.0
159.11728	8.1
160.08783	4.3
161.05994	6.2
161.09581	6.3
163.07520	8.2
165.05621	3.4
165.06975	14.8
166.07770	24.8
167.08562	8.4
168.09389	7.3
169.06482	4.5
169.10083	19.3
171.08073	13.1
171.11703	35.6
173.09657	18.8
175.07538	12.7
175.11221	10.4
177.09119	9.6
179.08667	4.7
181.10150	56.1
182.10632	3.7
183.08107	5.6
183.11700	12.0
184.08879	9.4
185.05960	4.2
185.09618	19.0
187.07512	17.6
187.11212	17.2
189.09122	3.7
189.12814	14.2
191.10693	4.2
197.09612	10.8
199.11205	69.3
201.09135	9.6
201.12706	4.1
203.10637	9.5
205.08612	6.9
209.09627	13.3
215.10709	29.0
215.69431	2.8
217.12270	49.4
227.10680	58.5
233.11795	8.2
235.13257	5.6
235.38249	3.0
245.11740	71.4
263.12796	56.6
281.13873	14.5
346.47198	2.9
367.12155	9.9
367.17444	100.0
367.22061	4.9
368.17712	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	367.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73907	4.5
53.03936	11.0
55.01856	18.2
55.05501	19.6
57.03443	6.9
65.03929	8.7
67.05501	36.0
67.93291	5.3
68.99779	5.0
69.03442	45.1
69.07063	22.2
71.04984	23.1
71.51131	8.3
79.05500	65.4
81.03418	25.8
81.07060	97.7
83.04968	21.0
83.58423	5.0
85.02882	6.0
85.06522	12.0
87.04477	5.5
91.05489	73.8
93.07047	57.2
95.04979	38.6
95.08601	33.1
95.41349	4.0
97.02883	8.4
97.06008	4.8
97.06521	31.5
99.04462	52.8
100.11298	5.9
103.05497	10.8
105.04528	4.8
105.07030	95.6
107.04948	28.0
107.08597	54.0
109.06501	29.5
109.10168	13.6
111.08086	10.9
114.36278	5.6
115.05457	14.7
117.07034	38.3
119.05000	12.1
119.08581	56.3
121.05722	7.4
121.06499	36.7
121.10129	19.8
123.04421	9.5
123.08064	23.2
123.11684	11.6
125.06037	6.2
125.09660	5.6
125.31435	4.8
127.07525	5.5
128.06181	25.1
129.07007	52.7
131.04941	15.2
131.08582	48.3
133.06522	30.8
133.10120	23.4
135.08089	24.4
135.11667	5.3
137.06017	12.2
139.07504	7.5
141.06990	30.8
142.07826	30.0
143.08565	52.5
145.06436	20.6
145.10124	34.9
146.10629	5.9
147.04398	5.7
147.08017	23.1
147.11705	95.7
149.05925	9.0
149.09642	16.8
149.13275	8.0
151.03896	8.0
151.07568	16.6
153.06963	10.8
154.07735	14.8
155.06087	6.0
155.08549	31.0
156.09346	21.5
157.04941	8.8
157.06512	16.6
157.10130	55.9
159.04518	5.1
159.08102	36.8
159.11708	8.1
161.05984	10.3
161.09584	8.4
161.13240	8.0
161.30667	5.1
163.07573	19.9
165.06982	17.7
165.12762	60.8
166.07779	24.8
168.09351	5.7
169.06483	6.5
169.08813	7.4
169.10071	31.2
171.08086	6.6
171.11732	62.9
173.06021	10.4
173.09572	23.9
175.07545	19.7
175.11191	31.9
177.09058	13.7
179.08702	6.5
181.08664	6.9
181.10126	52.2
181.12312	11.2
183.08060	7.0
183.11697	10.6
183.13855	5.4
184.08780	9.7
185.09634	18.0
187.06133	5.7
187.07619	25.0
187.11119	13.0
189.08992	5.9
189.12743	18.9
193.12225	42.4
197.09695	8.1
199.07567	6.2
199.11195	90.7
201.09128	12.2
203.10623	12.5
205.08429	5.4
207.13866	5.5
209.09650	16.7
215.10670	21.0
217.12233	78.5
227.10675	70.3
233.11755	6.5
235.13329	22.0
245.11737	100.0
263.12805	71.8
275.20206	6.9
281.13861	28.3
319.72180	5.3
349.16437	15.3
367.17404	30.2
367.21326	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	367.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.7
55.01863	14.0
55.05492	6.9
65.03948	6.5
67.05521	21.3
69.03420	6.8
69.07070	6.0
71.04977	5.7
71.50076	4.9
74.31008	4.6
79.05495	42.4
81.03418	6.8
81.07056	19.4
83.04987	8.0
85.02901	5.7
91.05492	44.4
93.07050	30.9
95.04971	16.1
95.08614	7.0
97.02895	8.3
97.06538	22.2
99.04461	8.7
100.94411	4.7
103.05470	10.8
105.07043	94.6
107.04967	19.3
107.08586	16.8
109.06567	5.9
115.05463	14.3
117.07027	29.2
119.04948	10.2
119.08571	28.9
121.06509	16.4
121.10159	4.4
123.04408	23.7
123.08051	16.3
128.06239	25.0
129.07002	45.8
130.07828	6.1
131.04944	6.6
131.08592	30.3
133.06499	18.9
133.10123	6.7
135.04436	9.7
135.19502	4.7
137.05991	7.9
141.07008	40.3
142.07770	21.8
143.08569	46.4
145.06499	23.9
145.10168	21.3
147.04396	7.3
147.08044	22.7
149.05989	14.6
151.07532	8.9
153.06975	22.0
154.07803	49.8
155.08565	35.3
156.09348	10.1
157.06493	7.9
157.10124	19.4
158.07303	5.7
159.04469	7.3
159.08052	18.3
159.11705	15.3
161.05885	5.5
161.09583	6.4
163.03880	4.7
165.06993	10.4
165.09148	6.7
167.08522	15.5
169.10118	98.0
170.07307	5.3
171.08044	19.0
171.11725	19.1
171.83069	4.3
173.05963	15.7
173.09631	25.2
175.07565	6.8
177.05412	4.8
179.08521	21.7
181.10158	7.8
182.07281	14.4
183.08098	11.0
185.09641	20.5
187.07556	9.9
187.11212	34.5
197.09645	87.0
199.07663	5.9
199.11197	11.9
201.09108	27.5
213.09122	15.7
215.10699	100.0
225.09088	49.4
231.10196	14.0
233.11755	14.3
243.10181	76.8
261.11230	26.2
367.22388	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	10.4
55.05514	9.3
65.03950	8.6
65.79312	4.9
67.05496	29.9
67.29819	4.7
69.03433	40.1
69.07053	7.6
71.50199	6.5
79.05506	32.2
81.07072	34.1
83.04968	20.3
86.62890	6.2
91.05488	61.3
93.07028	24.3
95.04949	35.3
95.08609	13.8
97.02872	14.8
103.05459	10.1
105.07027	45.7
107.04953	18.3
107.08604	11.1
109.06516	12.4
110.84658	5.6
113.10367	5.2
115.05460	17.4
117.07018	49.5
119.08601	39.6
121.06492	27.5
123.04407	9.3
123.08073	9.0
128.06238	50.5
129.07010	53.6
130.07777	5.8
131.04950	7.3
131.08598	35.8
133.06482	13.0
133.10146	8.7
135.04384	5.8
135.08089	8.3
137.05965	7.5
141.06995	42.0
142.07768	15.1
143.08583	59.9
144.09360	7.1
145.06479	27.9
145.10114	35.1
147.08069	28.7
149.06000	6.6
152.06239	14.7
153.06982	25.5
154.07794	52.9
155.08554	67.3
157.06512	14.3
157.10136	20.4
158.07077	6.6
159.08047	21.8
159.11723	10.5
161.09662	8.8
165.07047	12.9
166.07602	6.1
167.08578	37.1
169.10133	85.3
171.08026	23.8
171.11702	13.5
173.05978	6.8
173.09636	33.5
173.85591	5.4
179.08560	19.9
182.07301	15.2
183.08070	21.2
185.09616	24.5
187.11237	27.4
197.09616	91.8
199.11165	15.2
201.09129	33.4
203.10611	7.2
213.09143	13.2
215.10664	100.0
225.09114	50.4
231.10191	16.1
233.11691	10.1
243.10197	76.4
261.11215	95.8
301.65973	5.9
315.65469	6.5
349.16486	10.5
367.04172	7.0
367.17712	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	367.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08274	1.3
52.21684	1.4
53.72338	1.5
55.01876	8.1
55.05501	2.9
57.98817	1.9
58.99341	1.7
58.99595	19.8
59.05000	2.1
61.01160	68.4
65.03953	1.9
67.05481	5.8
69.03417	5.2
70.82910	2.9
70.83237	2.3
71.05006	1.9
73.02922	2.1
77.00637	1.9
79.05505	11.8
81.03420	2.6
81.07051	6.9
83.04996	2.7
85.02922	1.5
86.99066	13.9
89.00629	74.8
91.05489	17.3
93.07063	9.6
95.04971	13.6
95.08595	1.7
97.02890	2.2
97.06546	1.9
103.05476	2.7
105.00122	9.9
105.06396	2.8
105.07044	31.6
107.04971	3.8
107.08620	2.1
109.06498	2.8
115.05509	7.9
116.06297	2.3
117.07027	17.2
119.04950	3.8
119.08608	8.6
120.99546	1.8
121.06501	6.2
123.08093	1.5
128.06229	18.4
129.07027	41.9
130.07773	6.9
131.04959	2.9
131.08595	20.1
132.99545	7.9
133.06500	8.6
133.10117	3.9
134.10628	1.8
137.05952	3.3
141.07008	20.9
142.07806	28.5
143.08583	53.9
145.06459	6.7
145.10144	46.3
145.11308	2.2
147.02617	4.5
147.08063	4.4
147.11703	4.2
149.06003	2.9
153.07042	16.2
154.07811	8.1
155.08575	41.9
156.09367	20.0
157.06532	11.3
157.10146	52.6
158.07298	4.7
159.08096	6.6
159.11714	5.4
161.06039	3.3
161.09593	3.5
165.07031	19.1
166.07811	28.4
167.08585	6.9
168.09369	9.1
169.06514	3.2
169.10150	19.4
170.07222	1.9
171.08119	10.6
171.11731	38.6
172.12222	1.8
173.04213	5.5
173.09644	39.5
175.07520	1.8
175.11235	5.7
179.08557	6.3
180.09258	1.8
181.10139	81.1
182.10886	5.8
183.08138	2.9
183.11705	14.7
184.03482	3.2
184.08830	8.3
185.04355	2.9
185.06004	5.1
185.09619	17.7
187.05861	1.7
187.07545	2.5
187.11147	8.4
189.07312	1.8
189.08975	2.0
189.12798	3.9
191.34381	1.7
194.07367	2.7
195.11795	2.0
197.09641	12.1
198.05026	3.5
199.11211	92.1
200.11655	1.9
201.09149	3.8
201.12794	9.9
203.10638	3.1
206.10901	2.4
209.09647	12.3
213.07333	7.8
213.09174	2.4
215.10712	19.6
217.12294	11.3
227.10693	67.7
229.10410	3.3
231.08418	4.2
233.11658	2.4
245.11743	27.3
247.08038	1.9
257.09979	7.8
259.08044	4.8
275.10962	3.5
275.61377	1.5
303.10522	12.5
321.11526	13.6
339.12857	1.8
349.11050	17.5
367.12125	100.0
368.12253	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	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	6.3
55.05502	14.9
56.05018	12.1
57.03432	10.7
59.05008	10.9
67.05503	17.8
68.05051	9.0
69.03434	29.1
69.07061	20.3
70.06581	32.5
71.04980	22.2
71.50142	12.8
72.08131	13.1
74.06064	8.9
79.05479	24.7
81.07066	100.0
83.04966	25.0
84.04504	14.9
84.08137	17.5
85.02893	31.2
86.06085	16.3
86.09696	32.0
87.04466	8.3
91.05484	27.2
93.07043	85.2
95.04952	16.0
95.08603	25.2
97.02882	13.6
97.06541	10.7
105.07024	25.8
107.04906	7.8
107.08597	36.3
109.06532	10.5
109.10152	29.8
111.08125	11.2
113.06020	8.7
114.05547	58.6
120.08131	59.7
121.10140	20.3
123.08101	7.8
123.11713	48.6
125.09617	20.3
125.17115	7.0
127.03891	12.0
127.11209	30.5
131.08521	8.0
133.10124	20.0
146.09662	7.2
151.11194	26.8
153.09074	17.4
155.10674	56.8
166.08699	8.5
169.12296	20.5
173.11713	17.4
187.13278	19.0
190.09744	10.9
191.08174	20.4
216.07735	13.2
233.16599	7.7
289.11807	15.5
307.12909	13.7
308.11908	8.3
324.15527	29.7
348.18063	23.4
349.14078	8.5
366.15311	11.3
366.19196	17.4
366.23019	15.2
367.14679	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	367.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25303	0.2
60.49580	0.2
64.75551	0.2
66.24838	0.2
70.14996	0.4
70.15386	0.4
82.99861	0.4
101.00280	0.3
101.00891	3.3
108.45753	0.2
119.01929	6.3
120.02022	0.2
125.39855	0.2
134.99875	0.6
137.03020	1.0
140.98834	1.0
158.99915	2.5
165.99698	0.3
175.03035	0.2
177.00960	15.7
178.01076	0.8
182.99887	0.8
193.04070	0.3
201.00975	2.8
216.98943	0.2
217.04114	2.7
217.99078	0.2
219.02020	21.9
220.02284	1.0
225.00845	2.2
232.26898	0.2
234.00746	0.3
235.00050	0.6
236.00099	0.3
236.99783	0.3
240.98840	0.3
242.03578	0.3
243.02003	9.7
244.02020	0.5
256.95038	0.5
259.00024	1.2
260.00125	1.4
261.03073	100.0
262.03262	3.9
263.03180	0.6
277.01025	0.5
278.01114	0.5
279.00784	0.4
282.99994	2.5
284.00128	2.8
284.04694	1.6
284.99930	1.4
301.01038	2.7
302.01166	4.0
303.00809	1.4
324.94006	0.2
326.01151	0.3
342.95288	0.5
343.02148	0.4
344.02194	1.6
345.01651	0.3
362.03540	0.4
363.51242	0.3
364.01050	0.4
364.51404	0.2
367.02252	0.6
373.01843	0.3
385.03232	5.3
386.03622	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11953	1.5
53.03944	4.9
55.01870	6.0
55.05509	2.1
57.03436	5.7
61.02923	6.1
64.77921	1.5
66.11307	1.3
67.05502	1.7
68.99806	2.7
69.03084	3.1
69.03436	39.8
69.27995	13.7
70.71371	1.4
71.04993	4.7
71.09640	1.5
73.02921	5.5
78.84612	1.6
79.05474	1.6
81.03420	20.2
81.07053	2.2
85.02912	100.0
87.00310	3.2
87.00836	52.1
91.05552	1.5
95.04984	1.7
97.02899	36.4
99.04461	14.4
105.01877	85.0
109.02884	29.8
115.03952	2.0
117.01875	3.0
127.03927	84.2
129.01857	3.3
145.04971	34.7
147.02951	2.6
159.02901	11.8
189.03960	4.9
213.04024	3.3
231.04991	21.5
232.04521	1.4
249.06073	11.8
266.37701	1.5
358.03479	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.5
55.01868	17.0
55.05505	6.8
60.04527	1.9
63.75530	2.0
69.03432	5.2
70.06631	2.5
71.04994	3.2
71.50980	3.0
72.08159	4.1
79.05483	6.4
81.03416	4.7
81.07051	6.3
83.04976	2.3
85.02895	7.9
86.09715	2.7
87.00840	3.0
91.05487	5.1
93.07040	12.4
95.08629	2.5
97.02890	5.8
97.10220	2.5
103.05449	2.8
105.07042	5.4
107.08602	19.0
111.04484	3.7
115.03857	2.0
116.07105	2.8
117.06993	4.5
118.06544	2.5
119.08495	2.5
120.08109	26.6
125.09636	64.4
127.03944	8.5
129.05490	4.7
129.10257	4.0
133.02783	2.8
133.10112	2.6
135.08044	9.0
137.05942	3.2
145.03542	2.1
145.04970	6.6
146.06004	8.2
153.09116	100.0
170.87538	2.0
181.08607	47.0
188.07079	7.3
199.09682	22.9
201.03970	2.1
204.10474	2.1
231.05040	2.4
242.10214	2.5
244.17232	2.2
246.09538	7.4
249.06116	2.6
260.11252	3.8
264.10669	2.6
267.12296	3.2
285.13382	9.5
288.10458	2.7
305.11172	2.2
306.11542	13.6
313.12848	23.1
320.11288	9.0
324.12546	4.6
331.13818	7.4
334.11075	4.0
366.13898	16.6
366.18951	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	366.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59745	0.7
56.96569	3.2
57.03428	3.0
61.01158	1.5
69.03452	1.4
70.06587	1.0
71.50414	1.6
81.03432	1.4
84.08173	0.9
85.02910	2.8
97.02915	2.5
98.97563	4.5
101.00904	3.0
102.00960	1.5
109.02910	1.1
110.01406	1.0
110.97584	1.2
111.01272	1.0
113.00919	1.1
115.02409	1.0
116.98637	1.4
119.01913	5.1
120.02034	2.3
121.01622	0.9
122.51433	1.1
123.01280	1.2
123.02168	0.8
128.51439	1.4
128.98601	1.1
131.01906	4.9
131.51978	3.1
132.01884	3.9
133.03391	0.9
134.99823	0.7
137.01901	1.0
137.06085	0.9
137.51959	1.6
138.01744	1.6
139.02557	0.9
143.01909	1.9
143.51973	1.1
144.01945	2.8
145.03487	2.6
146.03583	2.6
152.05573	1.0
152.52512	0.9
155.01825	1.5
156.01947	1.3
157.03445	1.6
158.03648	1.1
158.99796	0.9
161.02965	1.5
162.03046	1.7
162.06732	1.6
163.03934	2.6
167.04160	4.4
173.01527	0.9
173.02953	4.1
173.53033	2.0
174.02946	5.3
177.00877	2.4
180.02760	1.0
182.03638	0.9
182.53575	0.9
185.02887	1.6
186.01068	1.0
186.03081	2.8
187.04468	1.1
189.03548	1.0
192.03665	19.2
195.03491	1.2
198.03041	1.0
200.04904	1.1
200.41020	1.0
203.04050	1.9
203.54077	1.7
204.02153	1.9
204.04089	1.9
204.07870	1.6
204.49318	0.9
207.02397	1.4
208.01369	1.1
210.04750	73.4
211.03091	1.1
211.04904	1.7
216.07756	1.9
221.03130	5.1
221.04971	1.5
222.03162	17.8
222.05180	1.2
223.02937	1.3
224.54778	1.3
225.03581	3.8
228.05881	9.1
233.03644	1.5
234.04736	77.5
235.02992	1.7
235.05054	1.5
239.04068	1.1
240.04277	2.8
245.05002	2.3
246.03049	1.4
246.05219	5.9
252.05804	100.0
253.06152	1.9
260.04739	0.8
261.03162	1.9
264.04086	2.4
270.06894	3.7
275.07385	1.9
276.06519	1.0
278.05472	0.9
283.99908	1.0
288.04147	2.3
290.05838	1.4
300.04221	1.4
302.01245	2.7
306.04648	1.0
306.10907	5.8
348.06342	7.5
366.06509	1.8
366.13507	1.1
367.09213	2.6
382.47751	0.9
384.09427	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24028	0.9
52.74606	1.1
53.03949	6.8
55.01871	7.8
55.05504	3.7
57.03430	6.8
61.02925	7.0
63.38145	0.9
68.99798	2.8
69.03433	38.0
69.07072	1.1
69.86646	5.4
71.01356	0.9
71.05005	5.9
73.02907	8.0
79.05495	1.7
81.03423	26.5
81.07074	2.0
83.01350	1.7
83.05002	1.5
83.08600	1.8
85.02907	100.0
87.00832	45.8
91.03965	1.9
91.05484	2.8
93.07043	3.9
95.08585	1.7
97.02897	35.0
97.06576	1.1
99.04469	13.6
105.01871	65.3
105.07044	2.7
107.08606	2.7
108.04475	2.1
109.02882	27.7
111.08077	2.3
115.03951	1.3
117.01831	3.4
117.06987	1.6
119.08582	1.6
123.08075	1.7
126.05540	2.4
127.03920	70.1
129.01837	4.2
136.06206	5.3
139.07596	2.1
141.09102	1.6
145.04965	31.5
145.10030	0.9
147.02907	2.6
147.11751	1.2
159.02902	16.4
179.10616	1.1
189.03966	3.9
191.10722	1.1
193.12315	1.1
209.11742	4.0
213.03967	2.8
217.12218	1.6
231.05005	16.7
249.05989	3.3
295.11862	3.5
326.21756	1.0
335.09009	2.6
366.12213	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	365.3051
Annotation	Hierridin B
Peak:m/z	Relative Intensity
53.03942	1.2
55.05512	3.0
57.07079	3.2
67.01846	1.0
67.05511	3.6
68.99797	3.3
69.07071	2.6
69.49636	2.3
69.50053	0.9
71.04978	0.6
71.08642	1.3
79.05486	1.7
81.03398	0.5
81.07051	3.6
83.04980	0.7
83.08615	1.2
87.00822	2.2
91.05468	1.2
93.07053	1.7
95.04993	1.3
95.08617	2.5
97.10186	1.0
105.07078	0.9
107.08599	1.1
109.02913	0.7
109.10169	1.1
109.53706	0.6
111.00793	2.6
111.04395	0.6
113.02354	1.1
119.08563	0.8
121.10147	0.6
123.11701	0.5
126.03171	1.8
127.03944	1.2
130.29807	0.5
139.03902	1.5
197.11754	1.3
211.13292	1.3
225.14873	1.2
239.16400	1.2
253.17940	1.1
267.19659	0.9
281.21198	0.8
291.19516	0.6
308.52542	0.6
337.31091	0.6
365.30533	100.0
366.30896	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.269
Annotation	6-Acetylandalusol
Peak:m/z	Relative Intensity
53.03950	1.2
55.01876	2.1
55.05307	0.8
55.05517	8.8
55.65299	0.9
57.03437	2.0
57.07071	2.4
59.92510	0.8
65.09673	0.7
65.21191	0.7
67.05511	11.6
69.03426	1.1
69.07079	15.2
71.04995	1.7
79.05496	10.9
81.07063	18.5
83.04993	3.5
83.08614	5.9
84.91277	0.8
85.06553	6.2
91.05486	9.8
93.07051	12.4
95.04969	1.5
95.08616	17.0
97.06533	2.5
97.10188	1.8
98.21597	1.7
105.07044	12.5
107.08607	15.7
109.06532	5.6
109.10178	8.7
111.04456	1.4
111.08097	1.9
115.05532	1.0
117.07021	1.6
119.08597	13.3
121.05402	0.7
121.06530	3.0
121.10156	9.7
123.08083	9.5
123.11736	2.2
125.06037	1.3
125.09637	1.4
129.07024	1.2
131.08577	5.8
133.10135	9.6
135.08069	100.0
135.11668	7.7
136.08554	0.7
137.06007	2.8
137.09639	14.3
143.08554	2.1
144.09428	0.9
144.83000	0.9
145.10127	6.6
147.08067	1.4
147.11719	5.7
148.08856	1.3
149.09628	12.6
149.13289	3.6
151.11218	1.8
153.12801	0.9
157.10144	2.8
159.11705	8.6
161.09621	4.3
161.13297	2.4
163.11220	3.9
165.12764	1.0
171.11714	2.1
173.13278	3.5
175.11217	3.4
177.12778	11.5
179.14278	1.1
185.13239	1.3
187.14815	1.1
189.12753	2.2
191.14349	1.3
193.12221	1.0
195.13753	0.8
199.14940	0.9
203.14348	0.9
231.15659	0.9
246.24088	1.0
247.20671	1.4
261.22263	3.0
273.18582	1.8
275.20038	1.0
287.20004	3.5
289.21710	3.0
291.19589	19.7
291.22833	1.2
297.42654	0.8
301.25253	4.1
305.21136	12.5
307.22757	19.2
311.23883	1.7
319.26309	1.9
329.24765	25.8
347.25842	73.1
348.26279	2.4
365.26971	31.4
366.27240	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.269
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.01887	1.2
55.05518	4.9
56.15575	0.7
57.03423	0.8
57.07080	14.0
59.04977	0.8
67.05508	10.2
69.03446	1.7
69.07077	4.1
70.00705	3.8
71.04989	1.0
71.08638	0.8
79.05502	8.1
81.07067	10.4
83.04986	2.6
83.08628	2.7
84.60432	0.7
85.06557	9.0
91.05491	9.7
93.07048	12.6
95.04980	13.4
95.08615	11.4
97.06555	2.0
105.07036	13.9
107.04914	0.9
107.08606	9.9
109.06544	7.4
109.10192	6.1
115.05502	1.2
117.07030	4.3
119.08582	14.6
121.06532	1.9
121.10162	4.7
122.30466	0.8
123.08088	5.3
123.11673	1.1
124.08870	1.5
128.06192	2.7
129.07008	3.3
130.07761	1.7
131.08601	7.1
132.03430	0.7
133.10150	6.6
135.08070	6.1
135.11688	1.4
137.06038	1.1
137.09605	1.3
141.06995	2.6
142.07813	4.2
143.08595	8.0
144.09323	2.4
145.10118	9.7
147.08031	2.3
147.11700	2.4
149.09615	1.8
151.07585	5.0
151.27417	0.8
152.08336	9.4
155.08551	3.2
156.09366	5.3
157.10141	10.8
158.10890	1.5
159.08070	1.7
159.11696	8.5
161.09612	3.1
161.13264	1.1
165.07104	1.6
165.09123	11.7
165.12836	0.8
167.08589	2.2
168.09277	0.9
169.10138	6.2
170.10901	2.6
171.08060	1.3
171.11705	7.0
172.08809	1.3
173.09593	1.9
173.13266	3.0
175.11166	1.4
177.12730	1.3
179.08582	1.7
179.10725	1.9
180.09367	1.6
181.10124	4.4
182.10901	1.4
183.11682	7.1
184.12454	0.8
185.13263	8.4
187.11165	3.1
187.14821	2.9
189.12801	2.5
192.09357	1.9
193.10098	4.8
194.10933	2.6
194.13039	4.4
195.11693	6.0
196.12494	1.6
197.09685	0.9
197.13297	5.3
199.14851	1.7
201.12759	1.5
203.14343	1.4
205.15866	1.9
206.10936	1.5
207.11703	4.9
207.13751	2.3
208.12517	3.3
209.09608	1.0
209.13274	6.7
210.14050	1.2
211.11156	1.5
211.14815	1.8
213.12767	2.7
217.10178	0.9
219.11699	2.2
221.13348	4.2
221.15228	1.0
222.14125	1.4
223.14854	6.5
225.12686	1.4
227.14384	1.5
233.13252	2.4
234.14012	1.7
235.14780	2.4
235.17009	1.4
236.15634	1.4
237.12604	0.9
237.16362	3.1
239.14384	1.4
241.15797	1.1
243.11719	1.1
247.14772	2.1
248.15593	2.1
249.16425	2.8
249.18634	1.2
250.17163	1.1
251.18033	2.5
253.15910	1.2
255.17450	1.2
258.14114	1.2
261.16357	1.1
263.17886	2.6
263.20294	9.2
265.15799	1.3
265.19489	1.8
267.17618	1.5
273.16113	1.0
281.18787	1.3
282.19775	1.1
289.19516	1.9
291.17282	2.1
309.18439	1.4
319.26682	0.9
329.22260	1.1
347.26157	24.1
365.27176	100.0
366.27029	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2688
Annotation	6-Acetylandalusol
Peak:m/z	Relative Intensity
50.66698	1.8
53.03942	2.5
55.01864	3.9
55.05519	18.8
57.03428	3.9
57.07077	3.4
67.05515	23.9
69.03439	3.0
69.07076	37.1
69.98758	8.6
70.40189	2.1
71.04996	3.3
74.40779	1.7
79.05499	14.3
81.07060	35.4
83.04991	5.7
83.08629	15.4
85.06557	2.6
91.05486	19.8
93.07047	29.6
95.04954	4.2
95.08609	30.6
97.06554	6.6
97.10165	3.7
105.07053	17.6
107.08611	33.5
109.06520	10.1
109.10153	15.8
111.04462	4.3
111.08080	2.5
117.07057	5.3
119.08589	18.6
119.93392	1.7
121.06556	5.0
121.10126	19.3
123.08115	16.5
123.11730	6.7
125.06010	8.9
129.07085	3.0
130.07782	2.3
131.08582	8.6
133.10153	19.0
135.08060	41.4
135.11691	16.0
137.06003	11.9
137.09659	4.9
137.13304	2.3
143.08574	5.4
145.10121	15.4
147.08032	2.8
147.11705	12.2
149.09660	10.4
149.13277	10.7
151.07593	2.1
151.11194	2.6
153.12863	2.5
157.10161	6.0
159.11697	12.3
161.09662	6.3
161.13332	4.1
163.11180	4.8
163.14775	3.4
167.14433	1.8
169.10132	2.2
171.11681	4.1
173.13316	6.8
175.11256	7.5
175.14891	2.9
177.12730	12.2
180.85562	1.9
185.13309	3.2
187.14870	4.1
189.12735	5.0
203.17961	1.9
247.20631	6.4
261.22305	2.3
273.22263	6.1
275.20145	2.1
287.20078	4.6
289.21466	1.9
291.19647	8.3
291.26901	2.5
301.25259	14.2
305.21191	6.6
307.22549	4.1
311.23953	5.7
319.26273	9.8
329.24762	79.9
329.28601	4.3
330.25031	2.8
347.25845	84.6
348.25882	2.6
365.26978	100.0
366.27313	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	365.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27403	2.1
51.46279	2.1
52.28805	2.2
52.90328	2.6
53.03946	4.8
55.05508	19.6
57.03421	4.8
57.07081	6.4
58.14607	1.9
65.03931	3.8
67.05503	32.3
69.03433	5.6
69.07071	13.8
70.68826	7.6
71.04996	3.0
74.48661	2.3
77.12952	2.1
79.05492	22.2
81.07057	30.9
83.04976	4.0
83.08611	6.9
85.06577	5.3
91.05480	32.7
93.07046	33.5
95.04967	45.3
95.08616	32.2
97.02859	2.9
97.06518	5.3
97.10173	2.9
101.85389	2.3
103.05475	3.2
105.07036	49.8
107.04955	2.8
107.08603	31.5
109.06544	5.7
109.10138	16.4
115.05488	3.4
117.06990	12.2
119.08584	51.3
121.06496	6.2
121.10155	15.6
123.08094	7.4
123.11673	2.8
125.09620	3.2
128.06232	9.2
129.06990	13.4
129.14668	2.3
130.07809	6.2
131.08589	26.8
133.10139	22.9
133.66470	2.4
135.08087	14.7
135.11702	9.4
141.07025	9.5
142.07777	20.7
143.08574	39.1
144.09303	7.5
145.10135	35.6
147.08064	9.2
147.11717	6.5
149.09644	7.0
151.11134	4.2
153.06886	4.5
154.07759	3.8
155.08566	15.5
156.09352	20.7
157.10130	54.9
158.10867	5.5
159.08069	7.9
159.11711	32.2
161.09628	9.0
161.13278	5.7
165.06973	5.9
166.07779	3.4
167.08643	9.3
168.09419	7.5
169.10139	22.8
170.10951	16.4
171.11687	28.8
172.08894	3.7
172.12440	3.5
173.09683	9.7
173.13254	13.5
175.11301	3.3
177.12732	2.3
179.08595	10.6
180.09331	6.7
181.10104	19.2
182.10951	8.7
183.08179	2.7
183.11713	29.2
185.09602	3.2
185.13263	56.6
187.11185	13.0
187.14799	14.9
191.08516	4.2
191.14511	3.2
192.09413	3.8
193.10178	17.3
194.10922	8.3
195.11716	27.8
196.12453	7.2
197.09787	2.7
197.13239	21.8
199.11249	5.5
199.14931	8.1
201.16426	2.6
203.14374	2.9
205.10234	2.8
205.15947	5.4
206.10983	8.7
207.11763	17.1
208.12512	9.1
209.09402	2.3
209.13268	20.5
210.14073	4.6
211.11368	4.1
211.14864	12.8
213.12837	11.8
213.16505	3.1
215.14372	2.5
217.10225	2.8
219.11708	7.6
220.12498	5.9
221.13216	20.1
222.14053	5.2
223.14955	20.2
224.15634	5.0
225.12813	5.6
225.16396	4.4
227.14386	3.5
231.11819	4.6
232.12378	3.1
233.13196	11.9
234.14091	7.7
235.14790	8.9
236.15573	5.4
237.16371	12.2
239.17932	3.3
241.15909	5.6
244.12555	2.6
245.13278	3.8
247.14896	9.7
248.15720	5.5
249.16409	15.7
250.17146	5.1
251.17998	9.7
253.15894	2.9
255.17537	3.7
256.18222	4.3
258.14206	3.1
259.14944	4.7
261.12881	3.1
263.18027	10.4
264.18817	4.6
265.15927	7.1
265.19543	5.7
267.17395	5.7
269.18985	6.6
273.16339	4.9
274.17065	5.0
277.16156	6.3
277.19519	4.8
281.19131	6.9
282.19864	3.3
289.19418	5.5
291.16943	3.6
291.20047	12.2
299.18106	3.1
309.18619	3.0
314.20499	2.4
319.97690	2.4
329.22543	5.8
347.23642	38.2
365.24780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15455	2.9
53.03945	6.4
55.05512	18.0
56.58765	2.7
57.03438	5.2
57.07057	7.8
61.02944	3.0
67.05509	37.3
69.03419	10.6
69.07072	15.3
69.37584	6.3
69.37984	19.1
71.04978	5.2
79.05499	30.6
81.07060	35.3
83.05000	6.8
83.08628	5.9
85.02898	5.3
85.06561	4.4
91.05494	46.5
93.07042	41.3
95.04972	25.3
95.08614	29.7
97.06533	17.9
103.05466	3.0
105.04481	3.6
105.07040	62.8
107.08600	40.5
109.06534	7.3
109.10155	21.2
115.05441	5.4
116.06294	4.2
117.07035	18.5
117.72524	2.9
119.08595	51.9
121.06475	7.9
121.10145	28.3
123.08070	9.4
123.11700	4.8
128.06230	6.7
129.06985	14.0
130.07776	7.3
130.08705	3.1
131.08577	33.4
133.06494	3.3
133.10101	18.9
135.08066	12.6
135.11717	9.3
137.09683	3.1
139.11172	3.3
141.06999	7.5
142.07799	11.8
143.08585	23.5
144.09343	6.8
145.06476	3.6
145.10146	37.6
147.08070	8.8
147.11699	16.0
149.09630	9.7
149.13283	3.9
153.05554	3.1
153.07019	3.3
155.08549	12.5
156.09375	10.4
156.90680	3.0
157.10118	33.8
158.10890	8.5
159.08057	4.7
159.11679	16.9
161.09602	11.9
161.13309	5.4
165.07051	6.2
167.08620	11.1
168.09361	7.6
169.10063	23.7
170.10869	6.1
171.11674	20.2
173.09625	9.2
173.13286	34.7
175.11218	10.7
175.14754	5.5
179.08592	10.0
180.09410	7.2
181.10077	17.1
182.10902	8.2
183.11673	23.4
184.12454	3.9
185.13235	14.1
187.11230	7.6
189.12822	5.4
191.14372	16.9
192.09258	7.3
193.10146	11.0
194.10939	7.5
195.11653	22.6
196.12404	3.3
197.09520	4.5
197.13245	15.6
198.14198	3.2
199.14772	7.1
201.12787	8.4
203.14249	3.5
206.10889	8.6
207.11743	16.3
208.12489	8.4
209.13301	20.7
211.11322	4.1
211.14857	10.9
213.12656	3.4
219.11777	5.3
220.12411	4.7
221.13252	13.0
222.14136	6.9
223.14862	12.2
225.12737	4.8
225.16360	3.0
227.14420	3.1
233.13310	9.1
234.14066	3.7
235.14911	6.7
237.12669	4.1
237.16399	8.4
239.14218	4.1
241.15813	4.1
246.14084	3.3
247.14877	7.1
249.16353	11.2
251.14522	3.2
251.17905	4.8
256.17990	3.4
263.14493	3.2
263.17767	7.7
265.15732	6.6
267.17554	4.0
273.16245	3.2
273.18848	3.8
273.22049	6.5
277.15930	4.2
281.19028	7.3
283.20471	3.2
291.17084	4.8
291.19910	4.1
307.20636	3.9
308.03159	3.5
309.18475	5.1
321.22388	3.6
329.22421	3.7
347.23502	28.4
365.24692	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57448	1.2
53.03939	3.9
55.01878	6.3
55.05279	1.9
55.05518	29.4
57.03431	9.4
59.54097	1.2
65.03934	2.8
67.05509	29.2
69.03429	14.4
69.07071	56.9
71.04980	1.6
71.51177	1.9
74.81833	1.2
77.06509	1.3
79.05075	1.9
79.05499	24.1
80.35548	1.3
81.03404	5.8
81.07059	22.7
83.04989	6.9
83.08632	7.8
85.24188	1.4
86.92390	1.4
91.05497	10.4
93.07044	17.3
93.33356	1.2
95.01306	1.6
95.04991	7.5
95.08608	10.4
96.60003	1.1
97.02912	15.2
97.06519	3.8
97.10168	13.2
105.07037	12.1
107.04971	5.6
107.08605	12.9
107.91118	1.3
109.02852	1.5
109.06528	2.9
109.10154	10.1
111.08115	3.2
117.07018	7.2
119.07833	1.4
119.08573	8.7
121.06516	3.2
121.10139	5.3
123.08052	3.9
123.11700	1.4
125.09637	12.1
129.06990	3.0
131.08577	4.6
133.10127	5.9
135.08043	5.4
135.11705	2.3
137.09612	2.9
143.08548	2.7
145.10101	4.0
147.08055	4.1
147.11732	3.1
149.13232	4.4
151.07510	1.9
153.09074	1.9
153.41235	1.3
157.10130	3.3
159.11696	4.6
161.09642	2.5
163.11197	2.8
165.09073	2.6
171.11623	2.1
175.11224	1.5
177.12729	1.7
189.11301	6.1
195.13829	2.6
205.12262	2.6
223.13306	23.9
227.17973	1.6
245.19049	2.0
263.20078	3.3
264.34442	1.3
270.93555	1.6
273.18481	8.0
291.19553	100.0
292.19925	1.3
307.22528	2.0
365.23196	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	365.2324
Annotation	Cespihypotin N
Peak:m/z	Relative Intensity
53.03951	3.2
55.01867	7.9
55.05517	40.1
57.03448	10.9
57.27282	1.8
60.31783	1.7
65.03945	2.0
67.05508	37.1
69.03436	18.5
69.07076	49.2
70.56385	3.8
70.56752	4.1
71.04995	3.6
79.05499	34.8
81.03419	7.2
81.07061	26.3
83.04987	8.7
83.08623	11.9
85.02966	1.6
85.97717	2.1
91.05488	24.2
93.07053	25.2
95.04984	10.2
95.08610	16.1
97.02908	17.8
97.06550	7.0
97.10178	18.0
99.04484	1.8
102.77178	2.1
105.07025	19.8
107.04964	8.7
107.08601	20.3
109.06522	4.3
109.10153	13.8
111.08067	2.5
115.05460	2.5
117.07016	10.3
119.04969	1.9
119.08582	15.9
121.06496	4.3
121.10174	8.5
123.08091	6.1
123.73569	1.9
125.09647	16.0
127.11212	2.3
128.06256	3.3
129.07019	7.5
131.08537	11.4
133.06514	6.0
133.10138	7.5
135.08075	8.1
135.11731	4.5
137.09622	4.7
142.07822	2.9
143.08562	4.8
145.10135	9.3
147.08066	5.4
147.11732	2.9
149.09572	2.5
149.13272	3.8
150.27296	1.9
156.09258	2.1
157.10120	5.4
158.91611	1.6
159.08083	2.6
159.11729	3.6
161.09697	5.4
163.11232	2.6
165.09105	3.2
165.46034	2.0
166.07823	1.8
169.10097	2.5
171.11737	5.8
173.09607	2.1
175.11191	3.9
177.12733	2.8
181.10228	2.8
187.11220	3.1
189.11252	8.2
195.13837	3.7
199.11215	4.8
200.11504	3.6
211.11264	1.7
217.12041	2.4
223.13330	31.8
227.12704	2.1
229.11472	2.9
233.58473	1.7
243.10089	2.2
245.19099	2.8
263.20227	2.8
273.18567	21.6
291.19568	100.0
292.19824	2.4
303.18790	2.2
305.21600	1.8
347.22211	4.2
365.23264	66.4
366.23196	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	365.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.01871	5.7
55.05516	61.0
57.03439	13.9
62.97141	1.3
65.03932	2.4
67.05511	20.1
69.03423	2.8
69.07063	6.3
71.04991	3.1
71.50349	1.9
76.48748	1.2
79.05503	17.3
81.07063	24.6
83.04988	100.0
83.08610	2.2
84.05326	3.0
85.02920	1.7
85.06547	12.8
86.13525	1.2
91.04977	2.3
91.05492	27.2
93.06483	2.3
93.07048	30.4
95.04974	28.2
95.08598	9.0
97.02914	8.0
97.06525	4.3
101.06032	7.9
103.05482	2.3
105.07036	26.4
107.04970	6.8
107.08604	13.1
109.06512	19.2
109.10170	3.4
111.08060	2.7
113.06020	25.6
115.03891	4.0
115.05452	4.2
116.06231	1.4
117.07021	14.5
118.93166	1.3
119.04936	2.5
119.08596	21.8
121.06509	10.7
121.10122	4.6
121.39194	1.4
123.08048	2.6
123.11688	1.8
125.06012	1.5
128.06245	6.3
129.07019	11.4
130.07837	1.7
131.08574	17.4
133.06509	3.2
133.10161	7.5
135.04390	4.0
135.08066	16.1
135.11763	2.7
137.09595	1.8
141.06969	5.3
142.07767	5.0
143.08572	16.4
145.06497	4.8
145.10129	13.3
147.08064	11.0
147.11668	4.1
149.06001	17.4
149.09627	2.7
151.07489	2.8
153.06952	2.4
154.07779	3.6
155.08528	7.6
157.10164	9.5
159.08073	5.5
159.11671	7.7
161.09628	6.2
163.07527	3.0
163.11287	1.7
165.09155	5.6
167.07011	3.9
167.08415	2.3
168.09332	5.9
169.10114	4.0
171.08087	2.7
171.11642	3.7
173.05986	3.3
173.09647	4.2
173.13255	7.4
175.11221	3.0
177.12668	2.9
179.07059	1.5
181.10089	2.2
182.07285	1.5
182.10455	1.9
183.11716	12.3
185.09615	3.2
185.13226	3.9
187.07570	4.4
187.11163	5.5
189.09120	3.1
191.10664	1.4
191.14345	2.2
197.09636	3.8
199.11237	2.9
201.09138	1.9
201.12750	10.3
203.10716	4.2
205.12360	1.5
211.11163	6.0
215.10681	4.6
217.15938	3.4
219.13799	2.4
227.10565	2.0
229.12286	16.9
237.16383	1.6
247.13277	9.7
265.14307	6.1
273.18542	10.7
291.19562	9.8
313.83389	1.5
347.18594	4.8
365.09937	1.8
365.19446	12.3
365.23145	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	365.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15378	2.0
51.73103	2.0
53.03958	4.3
55.01883	2.9
55.05519	19.2
57.07064	2.6
58.99578	2.3
61.77694	2.2
65.03937	3.8
67.05508	28.7
69.03432	19.4
69.07071	9.9
71.04986	7.1
71.51006	2.8
72.05547	2.1
79.05499	18.3
81.03432	15.3
81.07060	29.1
83.04977	6.8
84.32812	2.2
87.04474	3.8
90.07239	2.1
91.05480	26.6
93.07046	59.0
95.04974	8.4
95.08611	100.0
97.02888	5.7
97.06516	8.3
97.10173	10.6
99.04453	4.6
105.07042	39.7
107.05001	5.0
107.08601	55.5
109.02895	2.4
109.06516	13.7
109.10159	15.5
111.04431	2.6
111.08057	5.3
115.03944	4.6
115.05440	2.7
117.07043	8.0
118.99011	2.1
119.04993	3.5
119.08580	27.9
121.06502	35.4
121.10142	32.4
123.08064	36.8
123.11706	5.2
125.09626	2.7
128.06264	3.6
128.07141	3.4
129.06995	5.5
130.07809	2.7
131.08566	19.5
133.10150	15.4
135.08064	52.8
135.11723	23.4
137.09547	2.8
139.07524	3.7
141.06870	2.9
142.07750	3.7
143.08563	5.9
143.58539	2.3
145.06422	3.8
145.10133	35.9
147.08061	5.1
147.11732	11.8
147.12694	2.3
149.09619	7.2
149.13312	4.8
151.07568	3.8
155.08595	5.0
157.10181	7.8
159.08066	10.7
159.11710	23.4
161.05988	3.3
161.09673	5.2
161.13211	12.1
163.11198	5.3
163.14867	7.2
169.10114	5.1
171.08134	3.4
173.09610	17.2
175.11131	6.1
177.09174	3.5
177.16420	13.8
187.11217	9.8
187.14833	30.6
189.12729	4.0
189.16368	4.9
197.09621	4.8
197.13287	6.1
201.09210	3.1
203.07129	3.0
205.15871	26.3
213.03943	7.4
215.10666	7.4
215.14308	40.0
219.10112	3.8
233.15359	35.1
243.10278	3.7
255.26414	2.2
261.11292	3.4
319.19061	2.3
347.18375	3.4
362.33109	2.6
365.15494	3.4
365.19543	18.4
386.45749	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.2
55.05510	15.0
56.96568	11.2
57.03429	7.3
57.07067	4.9
65.03934	4.2
67.05494	20.3
69.03425	14.8
69.07075	21.5
71.05008	29.9
71.08640	9.6
71.51206	3.9
71.51595	3.8
75.31532	3.3
76.01512	3.2
79.05489	19.3
81.07054	24.0
83.05006	7.7
83.08623	5.2
85.06540	6.7
86.30166	3.2
91.05479	33.7
93.07057	14.5
95.05003	8.5
95.08593	14.7
97.02869	5.6
97.06495	5.6
97.10171	4.5
99.08104	12.2
105.07031	25.1
107.04953	4.3
107.08586	15.2
109.06519	5.2
109.10164	7.9
111.08105	4.4
111.29475	3.0
115.05459	9.2
117.07008	13.9
119.04960	13.4
119.08601	18.9
121.02857	4.7
121.06528	8.8
121.10113	5.4
123.08104	5.5
125.09650	9.4
127.07545	5.3
127.11199	35.9
127.98792	2.9
128.06255	5.3
129.07014	12.8
130.07834	5.8
131.08582	27.6
133.06505	11.9
133.10097	6.9
135.08058	9.6
137.05965	5.6
141.06975	8.2
143.08536	9.7
144.05765	4.5
145.06459	7.3
145.10104	20.2
147.04434	7.1
147.08020	9.4
149.05968	7.5
149.09641	5.7
151.03928	6.8
154.07823	4.7
155.08557	5.5
157.06529	9.0
157.10139	5.1
158.07304	7.2
159.08040	46.9
159.11713	7.7
160.08798	4.8
161.05934	19.5
161.09575	5.2
163.07492	4.2
163.11217	4.8
169.10138	7.4
171.08037	5.6
171.11769	5.4
173.05965	4.0
173.09666	31.1
175.07545	36.2
175.11136	4.1
176.08311	26.2
177.09122	10.9
183.08131	4.6
185.09499	5.3
187.11099	4.3
187.14801	4.3
189.09142	11.0
189.11064	3.7
191.10678	6.4
193.05003	9.3
199.07550	9.9
199.11224	4.4
201.05501	6.9
201.09132	4.6
202.02635	5.1
203.03404	16.1
203.05315	4.2
203.07034	20.0
203.10655	4.9
212.08295	4.4
213.09131	5.5
213.12881	6.0
215.10696	8.6
215.14235	5.0
217.04980	80.1
217.08527	4.3
217.12253	24.0
221.04431	39.3
221.06390	4.4
223.11292	6.1
223.13377	4.1
226.09956	34.3
227.07082	10.3
227.10677	46.3
229.04956	11.9
229.12086	4.4
231.06503	5.9
231.13712	3.9
235.06065	12.8
241.12245	66.4
242.13043	46.0
243.06543	30.8
245.08086	56.1
249.07625	31.4
255.06450	5.9
259.06018	11.4
259.09741	10.3
259.13315	5.5
261.07510	3.7
261.11453	3.9
263.09180	100.0
263.12009	6.4
264.09720	4.1
269.11743	71.1
273.07614	4.4
273.14899	17.0
273.18384	10.2
277.10703	13.8
287.12747	4.6
291.19583	29.8
297.11258	23.1
301.14365	76.7
315.12262	58.8
319.15454	36.5
326.01035	3.7
333.13312	37.4
335.05466	7.8
347.21793	8.5
353.96735	3.5
365.10086	14.4
365.23541	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.2
54.46091	2.9
55.01871	15.5
55.05502	6.2
63.47432	3.3
65.03947	6.2
65.42912	3.1
66.24075	3.3
67.05511	27.4
69.03083	6.2
69.03433	70.9
69.35421	28.7
71.04986	7.2
79.05502	32.2
81.03415	8.1
81.07059	18.5
83.04985	13.2
85.02882	3.8
91.05482	59.5
93.07046	17.0
95.04970	39.3
95.08601	9.2
97.02882	13.8
97.06527	5.3
98.20771	7.7
103.05462	10.4
105.07038	50.8
107.04970	19.5
107.08566	7.4
109.06510	11.6
111.04464	6.4
115.05441	21.9
115.24135	2.9
117.07030	45.1
119.04935	5.9
119.08583	30.9
120.91251	3.4
121.06513	26.1
121.10220	3.6
121.40379	3.6
123.04436	3.7
123.08067	11.6
124.48322	3.7
125.05980	7.6
128.06226	49.6
129.07027	43.7
130.07729	5.9
131.04932	7.3
131.08560	28.5
133.06502	12.2
133.10136	8.9
135.04427	7.4
135.08022	4.3
137.06004	5.7
139.03903	6.2
141.06996	42.5
142.07817	19.1
143.08565	60.1
143.09584	6.0
145.06485	30.0
145.10117	42.5
147.04410	5.1
147.08054	31.3
147.50774	3.5
149.05998	4.2
149.09566	3.6
151.07584	7.3
152.06187	11.9
153.05838	4.5
153.06956	28.8
154.07791	64.1
155.06017	4.3
155.08577	62.5
156.09340	8.0
157.06509	9.5
157.10126	21.3
158.07300	7.8
159.08083	14.1
159.11674	18.2
161.05957	3.5
161.09682	8.0
163.07581	7.3
165.05653	3.4
165.06992	12.7
166.07791	12.7
167.08562	37.5
169.06343	4.3
169.10130	100.0
171.08076	30.2
171.11696	11.7
172.08794	5.3
172.75954	3.7
173.09631	50.3
175.07558	8.8
175.11223	5.2
178.07738	8.2
179.08557	27.0
181.06477	8.8
182.07265	20.2
183.08040	18.5
185.09639	22.3
187.07463	4.4
187.11194	22.3
189.09166	8.8
197.09627	79.5
199.07553	8.5
199.11163	11.8
201.09074	30.5
203.10658	7.6
213.09186	18.9
215.10675	94.2
219.10155	3.8
225.09109	40.3
231.10184	14.8
233.11804	10.5
243.10149	72.1
243.12767	4.1
243.13762	4.6
261.11255	68.3
273.18549	6.5
275.51059	3.9
323.05347	3.9
365.15814	7.6
386.47153	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10722	3.7
53.03942	7.4
55.01883	8.3
55.05510	4.3
65.03948	6.8
67.05498	13.8
69.03425	11.0
69.77512	21.7
79.05499	37.0
81.03449	5.0
81.07030	10.5
83.04964	5.4
85.02892	5.9
89.47626	4.0
91.05493	37.3
93.07074	20.7
95.04978	21.5
97.06555	19.9
98.21463	7.8
99.04441	10.1
103.05455	7.4
105.07028	75.9
107.04981	19.3
107.08588	11.3
109.06470	5.2
115.05453	15.6
117.07045	20.3
119.04919	6.0
119.08566	16.0
121.06519	14.3
123.04425	22.3
123.08060	14.8
125.06003	4.8
128.06229	19.5
129.07024	36.9
130.07803	4.6
131.04916	6.7
131.08609	22.1
133.06526	19.9
135.04433	12.2
137.06065	3.9
141.06985	43.5
142.07748	15.3
143.08554	40.4
145.06474	16.9
145.10117	21.0
147.04408	9.6
147.08070	13.7
148.85445	3.9
149.05946	9.5
152.06233	6.0
153.07001	17.1
154.07799	45.3
155.08595	33.9
156.09271	6.8
157.06497	9.3
157.10162	19.9
159.04419	4.7
159.08093	16.6
159.11690	17.5
161.06029	4.7
165.06961	8.6
165.09094	7.8
166.07779	7.4
167.08556	13.2
169.06500	10.8
169.10139	100.0
171.08040	21.1
171.11708	12.7
173.05984	11.6
173.09653	27.6
179.08546	24.1
181.06482	5.3
181.10152	5.9
182.07280	16.5
183.08060	10.8
185.09641	14.6
187.07567	7.0
187.11188	31.7
197.09630	88.0
199.11177	9.3
201.09096	29.8
213.09082	13.4
215.10684	79.8
225.09134	47.5
231.10156	9.8
233.11719	9.4
243.10219	69.9
261.11267	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	10.7
65.03925	11.4
67.05515	34.1
69.03432	88.0
70.34950	20.4
71.04999	7.9
79.05499	28.0
81.03416	8.9
81.07089	27.1
83.04977	22.3
83.73434	5.3
85.02895	8.8
91.05498	65.2
93.07034	14.5
95.04976	42.1
95.74159	5.9
97.02892	15.5
97.06503	8.8
103.05447	10.7
105.03368	9.6
105.07050	50.7
107.04957	13.9
107.08633	8.2
109.06518	11.4
111.04454	9.9
115.03957	6.4
115.05450	24.1
117.07025	44.2
119.04947	5.9
119.08595	30.9
121.06505	38.2
123.04455	12.3
123.08048	9.0
128.06236	39.5
129.07034	48.3
130.07777	11.2
131.04924	9.6
131.08560	43.7
133.06502	21.6
135.08064	6.1
137.05994	7.2
139.03903	13.3
141.07011	52.2
142.07817	20.3
143.08574	72.1
145.06503	40.9
145.10149	44.1
147.08035	35.3
149.06012	6.9
149.09610	6.3
152.06245	10.1
153.07030	30.2
154.07765	59.8
155.06056	8.9
155.08583	71.7
156.09297	10.7
157.06487	18.0
157.10123	24.2
159.08020	21.1
159.11658	16.4
161.06145	5.4
161.09613	9.5
163.07587	8.3
165.07014	14.4
167.08630	32.6
169.06532	9.7
169.10153	100.0
171.08032	32.0
171.11560	12.5
173.09663	57.9
175.07597	7.1
178.41040	6.2
179.08601	30.8
181.06462	8.5
181.10156	8.4
182.07278	19.0
183.08090	19.1
185.09622	23.5
187.07584	7.3
187.11223	19.5
197.09631	96.4
199.11230	10.2
201.09102	34.6
213.09142	14.2
215.10728	87.8
215.76605	6.5
217.08798	7.1
225.09116	57.1
231.10191	22.0
233.11830	13.4
243.10205	93.2
261.11243	76.9
332.59348	5.6
365.15814	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	11.9
55.01870	13.8
55.05491	8.8
56.44176	4.7
61.72430	5.1
62.63803	5.0
64.26506	4.8
66.95754	5.3
67.05501	26.1
68.25132	5.2
69.03429	25.5
70.17888	4.9
70.93998	13.3
71.05005	6.0
73.57549	5.1
79.05497	40.0
81.03445	5.5
81.07047	14.2
83.04965	10.4
85.61629	5.0
91.05489	45.1
93.07048	25.9
95.04951	18.6
95.08603	15.0
97.06521	17.2
99.04443	7.6
103.05482	10.0
105.07033	86.6
107.04946	23.4
107.08605	13.2
109.06518	11.9
112.93591	5.0
115.05472	8.5
117.07023	20.4
119.04926	6.2
119.08569	22.9
121.01878	5.5
121.02851	5.3
121.06487	12.0
121.10159	5.7
123.04429	21.3
123.08079	16.2
125.05993	8.2
128.06195	26.3
129.06996	49.8
131.08557	36.6
133.06511	23.5
135.04387	9.1
135.08084	7.1
137.06003	8.2
141.07005	43.7
142.07773	13.1
143.08551	39.2
144.09334	8.2
145.06476	18.6
145.10129	31.8
147.08063	18.1
149.05997	11.0
151.07625	8.4
152.06271	9.3
153.06995	19.1
154.07788	42.5
155.08534	39.8
156.09396	5.8
157.06477	9.2
157.10117	22.6
158.07298	12.0
159.08073	15.1
159.11678	13.6
165.05574	6.6
165.06996	14.3
166.07805	6.7
167.08519	15.1
169.06407	9.7
169.10146	100.0
171.08087	21.7
171.11690	14.6
173.05995	11.0
173.09644	26.9
175.07515	6.0
179.08522	10.2
181.06483	8.9
181.10114	9.8
182.07254	19.0
182.27124	5.1
183.07925	11.3
185.05971	6.8
185.09605	19.7
187.07573	12.0
187.11182	38.6
197.09639	85.8
199.11234	11.7
201.09082	36.9
213.09096	15.4
215.10669	78.0
225.09117	36.1
231.10236	11.6
233.11694	12.9
243.10159	66.0
261.11282	31.8
273.18909	6.3
274.87708	6.3
370.03714	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13884	1.1
55.01881	1.2
55.05513	1.2
56.12123	1.0
67.05493	1.5
69.03419	1.3
70.93346	1.5
70.93678	1.8
72.08142	1.3
77.83393	0.9
81.07038	1.2
97.02889	1.7
98.06053	1.1
105.07022	1.8
107.08623	2.0
110.09459	1.4
120.04449	1.8
120.08089	1.1
122.06036	3.8
124.03926	1.5
127.13824	1.1
131.08595	1.2
137.05937	1.3
138.05519	3.0
140.07103	1.8
141.05452	1.1
143.08525	1.4
145.10135	1.4
146.09630	1.4
147.08119	1.2
148.03943	1.1
148.07584	5.3
156.43416	1.1
160.07637	1.7
161.05934	1.5
161.07181	1.4
166.05002	4.9
168.06586	2.2
171.09193	1.9
172.07620	4.2
174.09145	3.0
175.08714	6.5
176.07079	10.3
176.09419	1.3
184.07687	1.6
185.07158	1.6
186.05527	1.2
186.09264	1.5
188.05777	1.5
189.06610	1.5
189.10258	4.5
190.08675	2.8
196.07608	2.3
198.07678	1.9
199.08728	10.9
199.11307	1.5
200.07147	6.1
202.08685	3.2
203.08157	18.8
204.06619	1.5
204.08963	1.4
207.11351	1.2
213.06644	1.4
213.10231	9.1
214.08649	3.1
216.10269	1.4
217.06335	1.6
217.09804	19.5
218.08159	1.2
219.07863	1.4
223.08754	1.3
224.06989	1.5
225.09384	1.1
226.07254	1.6
227.08206	19.1
228.06595	3.5
228.08760	1.5
229.09735	2.0
231.07846	1.4
231.11296	1.5
235.10814	4.2
241.09747	16.1
242.08032	5.8
245.09244	52.9
246.07510	1.2
246.09760	1.4
247.10779	2.0
259.10776	17.0
260.09396	1.7
263.10275	32.7
269.09375	8.0
271.10861	1.4
273.08716	5.2
277.11951	3.1
287.10251	28.3
289.11783	1.5
291.09866	6.4
297.08731	2.7
305.11340	93.2
306.11667	2.5
315.09839	6.1
323.12402	29.4
333.10837	30.0
347.12421	2.6
365.13470	100.0
366.13837	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.2
55.01867	10.3
55.05503	6.1
56.75869	5.2
57.03431	8.0
65.03928	9.7
67.05508	30.2
69.03428	76.8
70.28276	6.1
70.28618	19.8
79.05507	28.3
80.67503	6.6
81.03426	20.3
81.07053	18.6
83.04981	15.7
85.02868	6.0
91.05477	69.2
91.13541	4.0
92.96777	4.3
93.07039	28.1
95.04973	46.5
95.08617	9.7
97.02907	23.3
97.06522	12.7
103.05489	9.7
105.07034	49.2
107.04958	19.8
107.08607	12.7
109.02901	5.2
109.06493	13.1
109.10189	8.2
111.04436	9.7
115.03938	6.9
115.05433	18.1
117.07036	45.9
119.04971	7.0
119.08594	30.2
121.02904	9.9
121.06491	30.5
121.10131	5.6
123.04401	5.7
123.08079	11.1
125.06052	6.8
128.06239	39.2
129.07024	52.8
131.04938	6.2
131.08571	41.3
133.06522	13.2
135.04413	10.6
135.08080	8.6
137.05937	7.3
139.03955	10.0
141.07013	39.0
142.07800	19.1
143.08575	73.7
143.09604	9.3
144.05690	6.6
145.06474	34.0
145.10121	36.4
147.04407	5.2
147.08075	39.0
149.05986	8.6
152.06230	6.4
153.05679	4.4
153.06960	24.8
154.07791	60.0
155.08594	61.5
156.09341	9.8
157.06526	11.3
157.10135	20.3
158.07272	8.2
159.08066	18.7
159.11708	21.5
161.06010	10.0
161.09700	5.5
163.07542	8.0
165.06978	11.5
165.09151	5.2
166.07744	8.6
167.08554	34.9
169.06514	6.1
169.10136	100.0
171.08063	37.0
171.11703	14.0
173.06047	10.3
173.09639	51.6
175.07587	8.0
179.08539	24.1
181.06500	8.0
181.10185	11.8
182.07289	18.2
183.08070	17.7
185.09595	30.0
187.07629	6.0
187.11169	35.7
189.09081	10.0
191.10652	5.1
197.09637	93.4
199.07571	5.3
199.11240	15.8
201.09132	32.3
203.10727	6.3
207.08128	6.4
213.09105	13.1
215.10677	99.6
217.12294	6.9
223.38651	5.1
225.09119	58.4
231.10211	7.7
233.11771	13.1
243.10173	76.3
261.11246	82.6
324.07062	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
55.05515	0.7
66.35462	0.6
67.05507	0.8
69.03423	1.4
71.04976	0.5
71.51468	0.6
79.05493	1.1
81.03417	0.7
81.07059	2.0
85.02906	0.9
91.05486	2.0
93.07063	2.7
95.04964	0.8
95.08601	1.0
105.07030	2.8
107.08585	2.6
109.06558	0.5
117.07007	1.1
119.08597	1.4
121.10165	0.7
124.07578	1.4
131.08553	1.7
133.10109	1.3
135.08026	0.7
135.11714	1.2
136.06192	3.8
137.05783	1.0
137.06648	1.0
143.08502	0.6
145.10139	2.7
147.08029	0.9
147.11702	0.7
155.08575	0.8
159.08095	0.8
159.11618	1.1
161.09583	0.8
163.11139	0.9
169.10085	0.8
171.11653	0.7
173.09621	0.7
175.11253	0.7
177.09015	0.5
185.04228	3.5
187.11229	0.8
187.14822	2.7
197.13214	0.7
203.06879	3.5
215.10753	0.8
215.14249	2.6
233.11932	0.6
243.13759	0.9
261.14899	1.3
312.13528	0.5
324.07959	0.5
365.12082	100.0
366.12402	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80593	7.1
62.27777	7.8
70.61594	21.1
80.59768	7.1
93.62991	6.8
94.93016	18.8
96.92868	8.9
97.88303	7.7
170.58266	8.6
185.04274	38.0
203.05237	69.2
221.02951	26.8
222.99591	15.4
254.61827	9.3
278.92523	8.8
346.28787	8.7
365.06396	67.0
365.10559	100.0
383.55035	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	2.6
53.03941	7.7
55.01881	12.9
55.05510	7.2
55.63828	2.5
57.03432	7.5
57.07071	5.9
58.99593	27.0
60.61084	1.9
61.01159	61.7
65.03945	5.5
67.05513	18.8
69.03435	16.7
69.07061	5.4
69.24703	15.4
69.25132	6.7
71.04987	6.1
77.00627	2.9
79.05501	34.5
81.03436	11.4
81.07067	20.4
83.04980	7.7
85.01100	3.2
85.02905	6.4
85.06552	3.4
86.99082	14.0
89.00626	56.8
91.05489	48.5
93.03417	3.4
93.07061	26.4
95.04990	25.1
95.08611	7.3
97.01112	4.9
97.02887	7.6
97.06541	13.0
99.04462	8.7
103.05476	8.0
105.00099	13.8
105.04541	3.1
105.07039	59.5
107.04964	33.3
107.08618	12.6
109.06521	9.7
109.10198	2.4
111.04424	2.9
115.05424	16.7
116.06244	3.9
117.07035	39.3
119.04930	8.6
119.08598	27.9
121.02861	4.4
121.06540	15.1
121.10172	4.8
121.23062	2.8
123.02647	2.7
123.04429	10.8
123.08053	5.1
128.06236	46.3
129.07027	63.6
130.07820	7.4
131.04956	11.0
131.08591	38.3
132.99556	11.2
133.06491	15.6
133.10138	7.9
134.07326	2.4
135.04416	17.4
135.08075	6.6
137.04230	3.0
137.06013	4.5
137.09589	2.4
141.07005	47.5
142.07811	42.2
143.07506	4.4
143.08580	66.4
144.09334	6.0
145.06506	35.2
145.10143	31.5
147.04408	8.1
147.08095	24.3
149.06012	7.6
149.09657	4.0
151.07585	6.5
152.06213	7.0
153.05640	5.1
153.06990	22.6
154.06636	3.5
154.07796	43.7
155.04922	3.7
155.06061	6.2
155.08566	54.1
156.09329	13.5
157.06525	16.6
157.10153	59.4
158.07262	9.0
159.04443	6.3
159.08064	22.5
159.11693	26.8
161.04170	5.5
161.05992	7.6
161.09628	9.7
163.03891	7.0
163.07628	2.8
163.94456	2.9
165.05669	3.9
165.06958	15.0
166.07814	12.4
167.01610	3.9
167.08597	27.4
168.09354	6.9
169.06480	9.7
169.10139	78.8
170.07280	6.3
171.04320	2.3
171.08063	57.7
171.11655	18.7
172.08865	13.6
173.05994	22.3
173.09636	35.2
175.05830	2.9
175.07585	6.1
175.11159	5.7
178.07791	5.9
179.08588	23.6
180.09244	3.8
181.06432	3.1
181.10118	14.4
182.07324	14.1
183.08109	17.6
184.08835	5.2
185.04256	7.4
185.05920	4.2
185.09630	49.2
186.05077	5.7
187.05779	8.1
187.07549	14.8
187.11194	45.9
189.09094	7.7
195.01146	2.9
195.08089	6.4
197.09639	94.7
199.07542	8.3
199.11227	28.6
199.12935	3.7
201.07433	3.7
201.09125	23.1
203.07176	2.9
203.10686	13.0
205.12294	4.5
209.09639	4.4
213.07310	6.0
213.09132	70.8
213.52200	2.4
215.10704	74.8
217.12250	8.3
219.08411	2.7
219.10371	2.5
225.07135	3.1
225.09145	46.5
227.10728	16.8
229.06906	7.5
229.08838	4.7
230.09415	2.6
231.08403	2.7
231.10199	49.3
233.11681	5.4
243.10223	78.5
245.11766	7.8
247.09766	45.5
251.07335	2.5
255.08411	2.8
261.11267	14.1
263.12936	4.1
269.96249	2.3
273.09485	4.2
275.07355	8.1
277.91034	2.4
291.10376	3.1
293.08417	22.3
301.08862	3.8
319.10080	22.6
337.11035	9.2
347.09448	5.8
365.10544	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	38.8
57.18911	16.8
62.16819	17.6
63.91519	16.4
64.31159	15.2
67.05495	39.1
69.07060	32.1
70.90545	33.8
71.04998	38.0
79.05452	18.2
81.07056	45.7
83.04978	23.9
85.10920	15.3
91.05459	31.2
93.07047	40.0
95.04990	16.8
96.19569	16.6
97.06567	30.7
104.21304	15.8
105.07031	64.4
106.00014	17.1
107.08613	39.3
109.06538	29.1
119.08575	33.1
123.11743	31.0
125.09634	25.9
127.11215	75.0
129.07011	35.3
135.08032	38.0
139.92735	16.9
143.08554	19.5
146.74504	16.9
147.08081	17.0
155.08438	15.3
157.10129	20.9
159.11763	19.5
177.05525	28.8
179.05937	19.9
197.13306	77.9
201.73927	15.0
221.44278	17.8
246.12000	19.5
303.15762	29.4
303.19403	27.6
306.21463	21.1
329.21231	18.3
364.21024	43.5
364.33344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71740	0.9
53.03942	3.9
55.01873	1.9
55.05515	29.7
57.03426	2.5
57.07058	2.8
60.08157	4.5
65.03938	3.5
67.05509	66.9
69.07073	25.3
71.04990	2.2
71.51139	1.8
73.02917	2.6
79.05496	43.4
81.07060	54.9
83.04971	2.9
83.08620	6.9
85.06541	1.7
86.09685	1.2
91.05486	18.6
93.07047	46.0
95.04967	3.4
95.08611	35.5
97.06525	4.7
97.10164	3.1
99.04450	2.4
99.08097	1.4
105.04536	1.0
105.07042	10.7
107.07886	1.3
107.08604	21.0
109.06519	1.4
109.10154	11.3
117.07073	2.4
119.08589	9.1
121.10141	14.8
123.08082	2.3
123.11695	2.2
125.09631	1.2
127.11131	1.6
131.08577	2.8
133.10133	5.5
135.08060	1.7
135.11702	7.7
145.10129	2.2
147.11687	2.2
149.13274	5.0
159.11697	2.9
163.14832	2.1
170.74863	0.8
185.13248	0.9
228.10829	1.0
278.14462	0.9
305.24759	92.5
306.25186	2.2
329.24911	1.4
354.16422	1.0
364.32114	100.0
365.27176	1.3
365.32346	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
55.05520	9.4
56.78081	0.7
57.03439	1.7
57.07068	3.2
59.04987	1.1
67.05514	9.2
69.07071	13.6
69.16221	4.3
69.16651	2.5
71.04980	2.0
71.08620	2.6
79.05499	5.2
81.07059	16.0
83.04981	3.0
83.08629	4.7
85.06537	2.3
85.10191	0.8
89.06037	2.8
91.05478	5.0
93.07043	8.1
93.68069	0.6
94.59949	0.7
95.04983	1.7
95.08613	14.9
96.55963	0.7
97.06522	3.5
97.10181	1.9
99.08098	1.1
105.07056	5.0
107.05001	1.0
107.08602	6.7
109.06528	9.4
109.10172	5.9
111.00782	0.7
111.08103	2.1
117.07015	1.5
119.08584	8.8
121.06523	1.4
121.10162	6.1
123.08076	66.1
123.11703	3.4
129.07030	1.2
131.08592	1.7
133.08598	1.2
133.10164	4.0
135.08054	5.1
135.11702	2.8
137.09604	5.3
137.13286	1.4
138.24437	0.7
139.04184	0.7
141.06924	0.8
145.10112	2.2
147.11703	2.8
149.09622	2.3
149.13297	2.3
157.10115	1.0
159.08064	1.9
159.11710	2.0
161.13280	1.2
165.12816	1.1
167.14308	1.1
171.11748	1.0
173.13370	0.9
175.14870	0.8
177.12764	1.3
179.14336	13.8
181.10028	0.7
183.11610	0.8
193.15880	1.0
199.11287	0.8
205.16002	0.8
227.10786	0.9
228.53381	0.8
233.19038	1.3
251.04709	0.8
274.14102	0.7
275.20114	1.7
288.05759	0.7
289.21695	1.1
289.25180	1.6
295.22711	1.3
303.26901	0.9
307.22711	9.1
331.26379	5.1
363.28961	100.0
364.29202	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	364.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
53.22054	0.2
55.05502	0.8
67.05492	1.0
69.03399	0.2
69.07079	0.3
69.44396	0.2
70.06584	0.3
71.04974	0.2
71.05426	0.2
71.05761	0.3
76.06730	0.2
79.05484	0.8
81.03426	3.6
81.07047	0.9
83.04982	0.8
83.08620	0.7
85.02908	0.5
87.43879	0.2
93.07047	0.9
94.04060	0.7
95.04971	1.2
95.08616	0.3
97.02863	0.3
97.10202	0.2
105.07047	1.2
107.04991	0.2
107.08616	0.5
107.63033	0.2
109.06496	0.4
109.10168	0.8
111.08041	0.4
112.26167	0.2
119.03577	1.7
119.08576	0.8
121.10146	0.4
129.07014	0.7
131.08537	0.4
132.03003	0.2
133.10120	0.5
133.19563	0.2
136.06190	100.0
137.04572	0.8
137.06522	0.8
145.10091	0.3
146.21632	0.2
147.11681	0.6
149.09650	0.3
154.07297	0.3
155.90704	0.2
157.10162	0.3
174.07813	1.4
175.11180	0.6
193.12244	1.8
196.37048	0.3
211.13286	2.6
293.84485	0.2
306.01312	0.2
310.16537	0.5
328.17743	0.7
346.18848	2.0
364.19806	29.3
365.20322	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.5
55.05521	73.0
56.30582	5.6
67.05498	11.0
69.03426	20.7
70.06593	17.0
70.38105	22.0
71.05009	14.9
74.98988	5.8
76.90086	5.7
79.05491	25.8
81.07079	14.4
83.04987	100.0
91.05495	36.8
93.07050	18.7
95.04955	31.3
95.08611	13.5
97.06512	12.2
99.04476	38.3
102.09191	9.9
105.07045	69.4
107.05013	7.0
107.08607	8.2
109.06509	12.6
111.04435	12.0
111.50970	6.0
115.05446	11.0
117.07030	16.9
119.03812	6.5
119.04888	10.1
119.08575	28.3
121.06517	25.0
123.08086	15.0
125.05966	6.7
127.11240	7.0
128.06224	17.5
129.07010	26.9
131.08588	25.4
131.39233	5.6
133.06522	32.8
133.10078	7.9
141.06990	15.9
142.07814	25.1
143.08568	51.9
145.10152	26.7
147.08049	17.1
149.05991	8.8
155.08531	14.8
156.09351	37.2
157.06645	7.6
157.10149	51.2
158.07274	7.4
159.08084	25.0
161.06050	7.9
161.09602	6.8
165.07027	15.3
166.07808	11.2
168.09328	9.5
171.08109	8.6
171.11708	84.0
173.09673	12.9
175.07596	12.9
175.11198	18.1
181.10132	32.4
183.11650	7.5
184.08827	12.7
185.09618	20.0
189.12752	12.5
199.11194	98.1
209.09683	20.4
217.12259	79.2
219.10313	7.5
227.10721	53.9
245.11789	33.6
257.26654	16.8
263.12775	14.7
300.28796	7.0
301.29358	26.9
362.32626	20.9
363.33041	91.2
369.29419	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	363.2169
Annotation	ent-16-Acetoxy-8-oxo-17-nor-6,13E-labdadien-15-oic acid
Peak:m/z	Relative Intensity
52.08389	1.8
53.83250	2.2
55.05510	7.3
56.75856	2.0
57.16438	2.3
66.98991	1.9
67.05493	3.2
70.94296	3.1
70.94638	3.5
71.05000	34.8
79.05488	2.7
83.04979	9.4
85.94082	1.9
89.90147	1.8
90.61524	1.9
91.05470	2.8
91.10432	1.9
91.86481	1.9
95.04980	2.4
99.04451	2.6
99.97078	1.9
105.07046	7.0
107.08573	2.9
109.10168	7.4
119.08615	3.5
121.06522	5.6
123.08156	2.4
127.11199	100.0
129.07047	4.0
131.08537	4.9
143.08566	2.7
145.10146	5.9
157.10144	3.5
158.44073	2.1
159.08104	2.5
160.08987	2.3
161.13284	2.3
171.08107	2.1
171.11670	3.3
173.09645	5.2
175.07593	3.5
177.09134	7.1
181.10097	3.3
189.09155	4.1
199.11176	7.9
201.12766	3.5
203.10666	5.5
215.10744	5.0
217.12239	5.7
219.10234	3.2
227.10663	5.6
229.12247	6.2
243.13766	4.0
245.11702	5.3
261.11035	2.0
263.12820	3.4
267.17422	2.0
285.18591	11.1
289.14438	2.0
301.17944	5.2
303.19571	59.8
304.20020	4.1
345.20752	19.5
363.21255	5.3
363.32980	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1803
Annotation	[3aR-[3aalpha,4alpha(Z),5beta,6alpha,7alpha,7aalpha]]- 6-Ethenyloctahydro-3a,5-dihydroxy-6-methyl-3-methylene-7-(1-methylethenyl)-2-oxo-4-benzofuranyl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
55.05516	20.3
57.07071	8.8
66.10041	4.1
67.05515	5.8
69.07076	4.9
70.06611	19.6
70.64304	12.0
71.08637	7.4
81.07043	8.3
83.04962	16.3
88.07647	6.0
91.05511	6.4
93.07066	5.0
95.04958	5.3
105.07027	12.7
115.05478	4.1
117.07040	4.3
119.08585	4.9
127.07558	4.0
128.06235	6.0
129.07005	10.8
131.08577	14.8
131.27103	3.8
132.10236	7.7
133.10170	6.1
141.07021	7.6
142.07799	16.9
143.08578	14.0
145.10164	4.7
146.11766	9.1
155.08574	8.7
156.09323	5.3
157.10161	28.0
159.08064	11.2
161.09639	4.3
162.19905	4.0
165.07019	9.5
166.07774	13.5
171.11717	13.2
175.11226	16.4
181.10114	43.9
184.08754	6.5
185.09682	24.6
199.11182	23.5
203.10675	21.0
209.09663	15.4
213.98659	4.0
217.12308	27.6
227.10635	42.5
245.11812	14.6
256.26294	6.3
257.26758	10.7
300.28958	11.8
301.29312	40.7
362.32617	18.9
363.33017	100.0
379.47131	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	363.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.5
55.01878	6.1
55.05269	5.5
55.05517	77.4
67.05506	12.9
68.18619	3.3
69.03434	5.9
70.32076	12.7
71.05004	17.2
74.50308	3.4
77.03932	3.5
79.05487	24.6
81.03426	5.6
81.07060	14.9
83.04991	94.9
91.05492	36.2
93.07049	17.3
95.04985	19.3
95.08598	5.7
97.02896	3.9
97.06554	13.0
97.69897	3.1
99.04462	37.5
103.05518	5.6
103.40073	3.1
105.07048	35.7
107.04964	10.7
107.08585	12.5
107.86121	3.5
109.06534	9.8
115.05460	12.0
117.06998	15.5
119.04956	7.6
119.08568	15.0
121.06507	8.6
121.10136	7.7
123.04495	5.1
123.08085	12.3
128.06236	23.1
129.07014	38.7
130.07796	3.4
131.08603	18.5
133.06517	14.8
133.10152	3.6
135.04414	5.2
141.07008	21.7
142.07780	21.0
143.08585	42.2
145.06477	18.0
145.10124	27.8
147.08046	8.1
149.06020	6.2
149.09642	10.5
153.07036	7.3
155.08554	24.5
156.09348	32.6
157.06517	11.5
157.10159	33.1
158.07251	4.6
159.08070	34.7
159.11722	4.0
161.06010	9.2
165.07031	16.7
166.07843	22.9
167.08588	6.0
167.69786	5.0
168.09383	4.4
169.06470	9.4
171.08057	13.5
171.11707	68.6
173.09668	17.2
175.03899	4.1
175.07622	8.0
175.11330	5.1
181.10136	38.3
183.08150	4.5
183.11716	7.1
184.08897	17.6
185.06041	5.0
185.09642	18.7
187.07541	26.1
189.09093	3.3
189.12744	6.5
199.07530	3.5
199.11200	100.0
199.14929	4.3
201.09206	3.5
203.10686	7.0
205.08646	9.8
209.09622	10.1
217.08661	3.0
217.12233	60.2
227.10693	91.2
245.11777	53.5
263.12891	26.2
362.32877	4.2
363.33017	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	363.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.05515	80.5
57.07061	2.2
67.05507	2.9
69.03421	3.8
70.06573	3.0
70.31804	6.5
71.04987	4.4
79.05487	4.8
81.07060	5.4
83.04988	100.0
88.07631	5.2
91.05496	16.6
93.07077	8.1
95.04996	4.7
95.08575	1.9
101.06036	1.8
103.05473	2.1
104.54197	1.6
105.07053	15.6
106.07385	1.9
107.04956	2.7
109.06528	4.0
113.63365	1.6
115.05474	6.1
116.06161	2.3
117.07021	12.6
119.05005	2.0
119.08601	10.9
121.06507	6.3
121.10117	2.3
121.45766	1.7
123.08053	2.6
127.11185	7.2
128.06242	15.4
129.06996	19.1
130.07846	2.8
131.08583	23.1
132.10211	5.5
133.06544	2.2
133.10139	6.1
141.07016	11.5
142.07784	23.6
143.08569	27.8
145.06516	5.9
145.10141	20.4
147.08051	5.7
147.11690	3.0
149.09579	1.9
153.06996	7.7
154.07797	2.7
155.06058	1.9
155.08556	30.3
156.09343	20.0
157.06529	4.6
157.10135	38.7
158.07259	2.0
159.08076	16.6
159.11676	3.9
161.05957	2.7
161.09624	5.1
165.07005	11.0
166.07770	16.2
167.08528	2.0
168.09380	3.3
169.06459	2.5
169.10121	4.2
171.08075	6.8
171.11694	37.5
173.09636	9.4
173.13295	4.6
175.07587	10.2
175.11180	11.4
181.10143	32.5
183.08080	3.0
183.11662	4.4
184.08862	5.7
185.09647	17.1
187.07512	4.1
189.09126	6.4
189.12766	7.0
199.11194	67.4
200.11568	3.1
201.09128	3.9
201.12759	7.8
203.07014	2.3
203.10695	15.4
209.09619	4.8
217.12282	25.7
227.10666	25.4
245.11768	58.9
246.69870	1.8
263.12833	7.0
303.19537	3.7
327.48474	2.0
351.12054	2.0
362.32611	4.6
363.17960	3.1
363.32932	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	363.1804
Annotation	3-O-Tigloylcarolenalone
Peak:m/z	Relative Intensity
53.03955	3.7
54.20241	3.3
55.05281	3.8
55.05521	58.6
62.13116	3.7
62.19812	3.6
67.05498	8.2
69.71533	22.8
72.19720	3.3
74.58855	3.6
75.36578	3.2
75.67770	4.0
79.05486	5.8
81.03431	5.0
81.07056	4.8
82.95442	3.1
83.04996	82.8
84.11790	3.2
88.93425	4.0
91.05505	26.5
93.07039	14.4
95.04984	100.0
97.06559	8.8
99.04469	7.0
105.07037	18.0
107.08617	4.4
109.06529	7.8
115.05461	6.5
117.07017	29.7
119.08593	10.6
120.90385	4.4
121.06483	6.5
128.06264	6.0
129.07007	16.8
131.08582	13.8
133.06551	4.5
135.08047	4.9
141.07004	9.6
142.07755	9.6
143.08577	15.7
145.06557	7.0
145.10143	17.0
147.08051	6.3
149.09592	4.1
153.07082	5.2
155.08507	10.5
156.09384	10.7
157.06532	7.8
157.10156	12.9
159.08046	7.5
163.07542	17.9
165.05598	7.2
165.06920	6.7
166.07791	12.4
171.11693	16.2
173.09669	8.6
175.07622	4.3
175.11253	3.7
181.10110	14.1
183.11674	4.3
184.08833	6.2
185.09674	3.7
191.10707	5.0
199.11197	30.3
209.09587	5.8
217.12236	15.3
219.10162	5.7
227.10706	24.3
245.11717	15.7
245.14040	4.5
263.12741	7.9
289.97989	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	363.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	3.2
69.03420	3.0
70.25645	4.1
71.04984	4.6
75.04482	5.2
76.10809	1.3
79.05521	1.2
81.03458	1.3
85.02892	4.6
91.05454	1.7
97.02885	2.2
98.97571	3.4
113.06027	1.8
117.06986	1.5
118.04168	60.1
121.02882	41.2
121.03929	4.2
121.04736	1.4
123.87154	1.4
138.05635	1.4
145.02855	5.8
158.03648	15.1
161.06020	1.7
167.07079	2.2
176.04697	1.4
186.03207	10.7
191.89189	1.7
201.05513	12.7
214.02634	23.9
229.04941	14.3
242.02141	4.5
260.03192	23.9
270.01556	2.8
287.05411	1.5
288.02686	47.7
302.04276	11.9
303.05048	21.5
317.06589	100.0
318.06738	1.5
345.06134	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07670	0.5
56.96545	0.9
65.03942	4.1
66.18245	0.5
68.99787	1.9
70.06588	0.9
71.50828	0.6
71.51215	0.6
81.03423	0.7
83.09232	0.5
84.96054	0.7
85.02914	2.0
86.09714	1.0
89.65162	0.5
90.89980	0.7
95.04992	0.5
95.25472	0.6
97.02927	0.8
98.97582	4.4
101.02347	1.2
111.04440	2.3
116.98613	1.5
119.04920	0.9
121.02873	100.0
122.03209	1.2
131.03444	1.2
131.04926	1.0
132.27933	0.6
137.02367	1.0
145.02951	0.7
149.28377	0.6
158.99767	0.7
159.02933	1.1
163.03923	2.8
188.07069	1.4
201.04048	1.3
205.05003	6.5
215.03427	2.4
231.02908	6.9
237.02936	1.1
243.05273	0.9
247.06007	2.0
249.03955	12.2
259.02213	0.7
271.02466	0.9
275.05542	2.5
299.10678	1.1
302.04071	0.7
303.05096	2.0
317.06467	1.0
331.04541	2.1
334.89279	0.6
335.10165	0.8
363.10651	6.5
363.16025	1.5
374.38544	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	40.4
55.52862	11.9
61.49695	13.2
67.05499	21.9
69.03421	56.9
76.45129	12.9
81.07059	24.8
83.04987	49.6
91.05476	36.7
93.07069	15.8
93.83579	13.8
95.04958	23.0
95.08598	29.1
97.06526	15.9
105.07021	35.4
107.04958	21.9
107.08566	18.2
109.06507	29.5
117.07024	48.3
119.08552	30.0
121.06524	12.7
121.51124	11.8
123.04388	16.8
123.08070	14.1
123.11723	13.8
128.06229	49.4
129.06976	48.1
131.08476	16.5
135.04407	19.2
141.07043	22.3
142.07793	71.5
143.08594	68.6
145.06502	37.0
145.10170	32.4
147.08104	14.1
147.11693	16.1
152.06239	34.1
153.06999	34.9
154.07785	47.6
157.06543	15.1
157.10124	58.8
159.08040	24.9
165.07051	24.0
166.07858	19.5
167.08606	71.8
169.10208	35.1
171.08109	36.6
173.09633	18.4
175.07570	13.9
177.05586	14.4
185.09624	100.0
187.07565	20.0
189.09091	21.0
195.08090	96.3
198.06706	19.5
199.07469	21.7
213.09106	93.7
217.08591	20.8
223.07494	29.1
231.10226	22.3
241.08649	89.8
259.09622	55.0
259.12082	15.7
363.09668	23.2
365.19409	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	362.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.2
54.38012	4.1
55.05268	6.4
55.05515	79.7
56.05849	16.2
57.78373	4.2
65.03930	5.6
67.05499	11.4
69.07070	6.4
69.23409	8.9
69.23810	39.6
71.04998	22.4
74.51373	4.3
79.05454	4.9
80.65221	4.2
81.07052	11.2
83.04981	100.0
84.05318	35.2
88.07620	6.3
91.05492	12.4
93.07023	6.0
93.87450	4.0
97.06513	5.1
105.07044	11.3
107.08618	8.1
109.72044	4.5
118.07364	5.4
119.08671	4.7
121.06523	14.9
127.11205	39.7
128.06203	6.1
131.08603	8.0
133.10115	4.4
142.94850	4.6
143.08525	8.2
167.08504	4.7
169.10120	9.5
170.10440	10.2
197.09747	7.9
198.10060	6.3
201.09064	5.4
213.09186	10.9
215.10664	8.5
216.11031	6.9
217.12196	7.1
223.11305	5.7
227.10709	7.3
239.14375	5.7
241.12213	4.9
243.13635	5.9
261.11072	5.1
262.11777	10.0
270.27979	8.7
285.14813	20.0
309.18637	5.8
327.19608	16.8
348.18829	6.0
362.09338	8.2
362.26288	6.0
362.32700	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
55.01875	0.5
55.27294	0.4
56.96553	0.4
65.03943	4.2
68.99786	3.0
69.03433	0.7
70.06580	0.9
71.01320	0.3
71.50943	0.4
81.03387	0.6
84.08150	0.6
85.02898	2.5
86.09708	0.4
91.05470	0.4
92.29754	0.3
93.03378	0.4
93.07058	0.5
97.02918	0.7
98.97606	2.3
99.00841	0.3
101.02377	0.9
103.05492	0.5
109.02889	0.4
110.97596	0.7
111.04459	1.8
112.02251	0.3
113.02389	0.6
116.98598	0.6
119.04986	0.5
121.02875	100.0
121.03905	3.7
122.03217	1.1
124.04758	0.5
126.01075	0.3
128.98622	0.3
131.03423	0.7
131.04918	1.8
132.05212	0.3
133.04994	0.5
137.02338	1.2
137.03333	0.3
145.02863	0.8
147.04350	0.8
156.37105	0.3
159.02905	0.4
160.50887	0.3
163.03932	3.2
169.01369	0.7
186.02209	0.4
187.02396	0.6
187.03957	0.4
188.07004	0.3
193.85417	0.3
201.03993	1.2
205.04970	6.6
205.06737	0.5
209.09149	0.3
215.03415	0.7
219.01828	0.9
231.02905	8.9
237.02908	1.1
247.06024	1.3
249.03972	11.9
250.04564	0.4
271.02347	1.0
275.05536	2.3
289.03519	0.5
299.10611	0.8
303.05072	1.3
317.06656	0.3
331.04437	2.1
363.06818	0.3
363.10577	2.7
363.16315	1.5
369.89874	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40839	3.0
52.83942	3.0
53.03940	5.4
55.01861	3.9
55.05518	70.2
57.03440	4.0
59.05006	3.4
60.76013	2.8
67.05510	30.8
69.03400	4.7
69.07061	11.5
70.67139	6.9
70.67515	5.6
71.04996	7.1
79.05493	20.9
81.07069	32.4
83.04491	5.8
83.04989	100.0
91.05493	32.3
93.07057	42.8
95.04996	8.6
95.08614	19.9
97.06534	9.3
105.07034	36.8
107.08601	20.2
109.06529	9.7
109.10180	27.4
113.77416	3.2
115.05473	5.9
117.07026	20.8
119.08578	21.4
121.06537	9.9
121.10148	13.5
123.08086	4.8
128.06226	10.6
129.07013	16.4
130.07838	3.3
131.08600	30.0
133.10133	14.1
135.07965	3.9
135.11676	8.0
137.09625	6.8
141.06978	6.9
142.07790	6.8
143.08553	21.4
145.06464	7.3
145.10129	19.4
147.08060	4.2
147.11703	12.2
149.09619	4.9
153.07054	5.2
154.07851	7.6
155.08575	13.3
157.10127	13.4
159.11699	12.0
161.09610	4.1
161.13168	3.4
165.06952	5.4
167.08606	4.4
169.10187	21.3
171.08041	5.5
171.11682	11.2
173.09639	6.1
173.13289	8.6
175.07576	6.6
179.08606	3.7
181.06438	4.5
181.10156	4.3
183.11734	6.6
187.11227	5.4
187.14864	6.1
189.09125	5.2
189.12715	3.8
191.07108	4.3
195.11790	4.7
197.09660	11.5
197.13287	9.0
199.14729	3.7
201.08960	3.6
201.12766	4.0
203.10698	5.7
209.13338	5.5
213.09038	4.1
213.12642	4.1
215.10716	15.4
225.09126	7.1
225.16455	6.6
241.12273	3.4
243.10240	8.9
243.17670	4.5
259.13370	6.1
261.11267	12.4
265.19498	8.8
283.20523	11.4
301.21552	7.6
303.15942	5.3
319.15491	6.8
343.18985	7.0
361.19989	7.2
361.23767	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	361.2375
Annotation	Actinofuranone B
Peak:m/z	Relative Intensity
53.03933	7.9
55.05522	58.5
60.66826	7.3
61.37066	7.3
61.50842	8.2
62.03880	7.1
67.05512	50.2
67.05821	9.0
69.07067	20.8
71.04984	12.5
79.05499	50.2
81.07066	100.0
83.04979	59.1
85.06541	16.4
91.05483	47.8
93.07038	56.1
95.05006	12.1
95.08607	44.1
97.06524	23.3
105.07041	83.3
107.04957	9.3
107.08610	52.8
109.10120	11.9
117.07008	28.7
119.08585	47.3
121.10131	20.9
124.26611	7.7
127.11192	10.1
128.06218	7.7
129.06981	22.2
129.36208	7.6
131.08554	60.7
133.10127	31.7
135.11699	9.5
141.07028	11.5
142.07770	10.7
143.08556	56.5
145.10152	46.7
147.11665	16.4
154.07762	10.6
155.08539	28.0
157.10165	41.6
159.11699	49.6
161.13257	43.6
169.10130	34.1
171.11696	20.4
173.13264	10.2
175.11139	9.3
177.09111	9.1
179.08641	14.2
180.09337	8.6
181.10152	12.9
183.11694	25.1
185.13260	31.1
187.14789	23.4
195.11749	15.0
197.13170	11.4
199.14844	73.4
201.16414	24.9
209.13249	18.6
211.14745	8.0
213.16309	10.5
221.13676	8.4
225.16385	34.0
227.17899	9.9
239.56433	7.6
243.17520	26.3
245.19078	8.8
255.21132	20.8
255.65018	7.6
265.19595	33.1
283.20520	37.2
301.21603	36.7
315.23016	8.4
327.11783	9.0
331.04263	10.9
343.22702	17.5
361.09210	15.4
361.23822	23.4
381.16205	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	361.2374
Annotation	5-cis-15(R)-Iloprost
Peak:m/z	Relative Intensity
50.82872	1.8
55.05517	19.2
65.03941	2.3
67.05505	16.4
69.07076	4.5
70.48448	6.1
79.05494	21.4
81.07061	22.5
83.04993	16.9
83.08633	2.0
91.05490	26.5
93.07053	33.1
93.64033	2.0
95.08609	25.1
97.10152	2.2
105.06402	3.0
105.07041	39.0
107.08609	26.8
109.06535	1.8
109.10167	19.7
117.07021	5.4
119.08585	32.0
121.10155	32.9
123.11695	4.9
129.07031	3.1
131.08588	18.4
133.10153	24.7
135.11723	12.3
141.06984	2.9
143.08575	8.6
145.10162	18.8
147.11703	40.1
149.13242	7.1
151.11185	3.2
153.06863	2.2
154.07782	3.2
157.10135	8.1
159.11684	20.1
161.13269	11.1
163.14844	3.2
169.10123	3.0
171.08174	2.2
171.11681	5.1
173.13255	15.5
175.14877	2.8
179.10635	4.6
183.07895	1.8
185.13268	8.0
187.14842	4.4
193.12224	6.9
197.09711	2.3
199.14819	14.9
205.12207	4.8
207.13892	4.8
213.16429	7.1
217.31548	1.8
225.13881	2.1
227.17935	6.6
245.15329	2.4
246.92065	1.9
255.21114	100.0
256.21472	2.3
259.17068	2.5
261.11130	2.2
265.19452	5.1
283.20642	23.0
297.56183	1.8
301.21674	55.9
315.23282	15.7
327.94305	1.7
331.04346	2.3
343.22711	3.5
361.09305	2.6
361.23932	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	361.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	15.5
55.35874	5.6
67.05511	40.9
68.99805	6.4
69.03456	6.3
69.07072	13.4
70.66364	13.9
71.04986	17.0
72.35101	4.8
79.05515	12.4
81.07054	32.7
83.04968	17.9
91.05481	14.4
93.07050	17.6
95.08604	8.4
98.20725	4.9
99.04441	6.9
105.07029	23.7
107.08603	10.7
109.10168	62.5
111.49892	5.2
117.07022	8.9
119.08579	18.6
121.02875	18.8
121.06499	7.8
123.22334	5.3
125.09653	8.7
127.03946	9.2
127.11179	13.2
129.07018	9.1
131.08586	14.9
133.10100	7.0
137.05902	6.4
141.07022	5.8
143.08574	9.4
145.06468	9.9
145.10124	20.0
159.11679	7.5
161.05925	5.8
163.07550	7.3
169.10112	7.9
171.08063	6.0
171.11670	6.2
173.09676	9.8
175.07590	10.0
175.11298	5.2
183.02925	26.8
187.11195	6.2
189.09096	19.6
191.10777	8.1
197.09624	5.0
199.07573	8.4
199.11211	6.5
201.09111	9.1
203.10739	20.6
211.02434	10.0
213.12758	6.1
215.10698	20.3
219.10147	27.0
225.09134	7.8
227.10695	6.8
228.11363	5.6
229.12288	13.9
241.12231	14.0
243.13811	21.2
245.11768	13.8
257.04443	9.9
261.11261	15.2
263.12851	8.6
279.12308	29.5
283.16956	12.0
285.03857	8.0
286.04550	6.9
287.12646	6.9
301.07034	7.3
301.18051	35.2
303.15924	10.2
305.13889	19.8
314.04092	8.9
315.19821	8.1
317.17603	8.4
329.06573	100.0
331.04449	13.2
333.20657	7.0
343.08102	16.2
343.19101	25.8
361.09183	11.1
361.20068	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	361.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.01871	10.5
55.05517	21.5
57.03417	2.2
57.07080	98.2
65.03939	1.3
67.05514	7.2
69.03417	3.3
69.07059	5.9
69.85216	7.8
71.04934	1.2
79.05492	17.3
81.07069	12.3
83.04498	1.8
83.04987	32.4
85.06101	1.6
85.06555	18.6
91.05492	23.7
93.07042	4.2
95.04981	8.3
95.08610	4.0
97.06510	3.0
103.05476	7.0
104.78544	1.4
105.07034	12.1
107.04973	9.3
109.06496	2.4
109.10187	1.7
115.05465	5.6
117.07037	6.6
119.04958	11.2
119.08588	4.4
120.05716	2.5
121.06526	5.0
121.10151	2.0
123.08035	2.1
128.06253	7.5
129.07001	7.1
129.44228	1.4
131.04922	3.3
131.08578	4.7
132.05652	1.5
133.06483	4.8
133.10127	2.2
135.08060	6.4
137.05972	2.3
137.06963	1.5
137.12617	1.3
138.03249	1.5
141.06970	3.7
142.07829	2.7
143.08588	8.2
145.06482	3.7
145.10139	2.5
146.07167	2.2
147.04390	6.0
147.08064	6.1
147.16902	1.5
148.05148	4.2
149.05951	2.8
151.07544	10.6
153.05479	6.6
153.07019	2.7
154.07779	4.4
155.08614	2.6
156.09412	1.9
157.06519	3.0
157.10201	3.9
158.07318	2.8
159.08087	1.9
159.11716	2.8
160.08826	1.8
161.06012	5.3
161.09637	5.0
162.06773	6.3
163.07611	7.5
165.05525	2.3
165.06970	2.1
169.10147	5.7
170.07306	2.8
171.08080	6.4
171.11740	2.7
173.05959	2.4
173.09581	3.0
174.06764	4.1
175.07579	5.6
176.04669	1.7
177.05464	2.5
177.09166	4.1
179.07086	17.6
179.08540	2.6
181.08604	2.2
181.10074	1.8
183.08144	1.6
185.09547	4.6
187.07600	3.0
188.08438	1.8
189.05473	2.9
189.09135	6.3
191.07048	12.3
197.09651	6.1
199.07558	2.5
199.11223	6.1
201.09126	2.3
202.06265	4.2
202.09827	1.8
203.07002	5.3
203.10651	5.5
204.07915	6.7
204.09583	1.5
205.08661	1.6
213.12743	2.0
215.10628	4.2
216.07890	3.3
217.08624	71.5
217.12061	3.2
218.09386	2.5
225.09250	1.6
227.10690	8.5
230.09419	8.7
231.10197	28.8
231.13750	3.2
233.11768	1.7
241.12138	2.3
243.10231	3.2
255.21190	4.5
259.13318	37.5
261.11020	3.3
277.14355	5.1
282.19366	1.8
293.13815	5.7
301.21707	2.4
319.15411	30.4
331.04498	4.9
361.09344	6.4
361.20123	100.0
361.25290	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	361.2011
Annotation	(-)-Dechloroisochromophilone IV
Peak:m/z	Relative Intensity
55.05512	45.1
57.03438	11.2
67.05509	57.8
69.03424	5.8
69.07055	13.8
71.04985	15.5
71.07285	9.3
71.07621	5.2
79.05499	12.8
81.07066	30.3
83.04989	61.1
91.05475	13.4
95.04986	5.1
99.27130	4.5
105.06999	21.4
107.08604	12.6
109.09479	7.1
109.10165	100.0
115.05507	5.6
117.07008	6.4
119.08566	9.9
121.06478	9.3
121.10139	4.8
125.09689	6.7
127.11164	10.7
131.08553	5.6
135.08075	5.2
137.05975	5.9
143.08606	9.1
145.06454	10.4
145.10149	12.5
147.08032	7.9
149.09570	5.0
154.07845	5.8
155.08470	6.4
156.09337	4.5
159.08054	10.0
163.07576	8.6
169.10161	14.2
173.09624	18.5
174.06709	5.5
175.07515	11.7
175.11160	5.4
177.09113	8.5
179.08560	4.7
182.07379	5.4
185.09763	7.1
185.13380	6.2
187.07506	4.6
187.11211	7.4
188.08244	8.4
189.09131	28.4
190.38281	4.9
191.07063	13.7
191.10666	15.5
193.08617	8.9
197.09639	13.9
199.11243	6.7
201.09163	17.3
201.12752	5.1
203.06911	5.3
203.10706	18.4
205.08647	8.8
213.09125	11.8
213.12784	5.4
215.10664	29.5
216.56253	4.1
216.93074	4.4
217.08505	5.0
217.12285	10.8
219.10149	57.5
225.09152	8.9
227.10718	18.8
229.12271	13.3
231.10289	11.3
239.10660	7.3
241.12257	23.3
243.10161	10.2
243.13803	36.9
245.11687	20.1
247.13219	5.2
255.17482	4.8
259.13309	20.7
261.11270	15.6
263.12805	11.0
277.10916	5.6
279.12308	35.7
283.17026	27.9
287.12839	15.2
301.14758	7.7
301.17990	60.7
303.15945	24.7
305.13910	33.2
315.19522	13.6
317.17374	15.7
325.18051	8.0
331.04498	18.2
333.20538	6.9
343.19083	40.8
361.09164	29.7
361.20041	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2011
Annotation	Komaroviquinone
Peak:m/z	Relative Intensity
53.03937	3.8
55.01871	10.5
55.05517	21.5
57.03417	2.2
57.07080	98.2
65.03939	1.3
67.05514	7.2
69.03417	3.3
69.07059	5.9
69.85216	7.8
71.04934	1.2
79.05492	17.3
81.07069	12.3
83.04498	1.8
83.04987	32.4
85.06101	1.6
85.06555	18.6
91.05492	23.7
93.07042	4.2
95.04981	8.3
95.08610	4.0
97.06510	3.0
103.05476	7.0
104.78544	1.4
105.07034	12.1
107.04973	9.3
109.06496	2.4
109.10187	1.7
115.05465	5.6
117.07037	6.6
119.04958	11.2
119.08588	4.4
120.05716	2.5
121.06526	5.0
121.10151	2.0
123.08035	2.1
128.06253	7.5
129.07001	7.1
129.44228	1.4
131.04922	3.3
131.08578	4.7
132.05652	1.5
133.06483	4.8
133.10127	2.2
135.08060	6.4
137.05972	2.3
137.06963	1.5
137.12617	1.3
138.03249	1.5
141.06970	3.7
142.07829	2.7
143.08588	8.2
145.06482	3.7
145.10139	2.5
146.07167	2.2
147.04390	6.0
147.08064	6.1
147.16902	1.5
148.05148	4.2
149.05951	2.8
151.07544	10.6
153.05479	6.6
153.07019	2.7
154.07779	4.4
155.08614	2.6
156.09412	1.9
157.06519	3.0
157.10201	3.9
158.07318	2.8
159.08087	1.9
159.11716	2.8
160.08826	1.8
161.06012	5.3
161.09637	5.0
162.06773	6.3
163.07611	7.5
165.05525	2.3
165.06970	2.1
169.10147	5.7
170.07306	2.8
171.08080	6.4
171.11740	2.7
173.05959	2.4
173.09581	3.0
174.06764	4.1
175.07579	5.6
176.04669	1.7
177.05464	2.5
177.09166	4.1
179.07086	17.6
179.08540	2.6
181.08604	2.2
181.10074	1.8
183.08144	1.6
185.09547	4.6
187.07600	3.0
188.08438	1.8
189.05473	2.9
189.09135	6.3
191.07048	12.3
197.09651	6.1
199.07558	2.5
199.11223	6.1
201.09126	2.3
202.06265	4.2
202.09827	1.8
203.07002	5.3
203.10651	5.5
204.07915	6.7
204.09583	1.5
205.08661	1.6
213.12743	2.0
215.10628	4.2
216.07890	3.3
217.08624	71.5
217.12061	3.2
218.09386	2.5
225.09250	1.6
227.10690	8.5
230.09419	8.7
231.10197	28.8
231.13750	3.2
233.11768	1.7
241.12138	2.3
243.10231	3.2
255.21190	4.5
259.13318	37.5
261.11020	3.3
277.14355	5.1
282.19366	1.8
293.13815	5.7
301.21707	2.4
319.15411	30.4
331.04498	4.9
361.09344	6.4
361.20123	100.0
361.25290	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	361.2011
Annotation	Sarcophytin C
Peak:m/z	Relative Intensity
55.01863	2.3
55.05514	10.7
57.03428	3.4
67.05505	8.2
67.05807	1.4
69.03419	5.5
69.07057	4.7
70.47114	4.7
71.04999	31.5
76.33213	1.4
79.05487	3.5
81.07042	2.9
83.05005	8.1
84.93126	1.6
91.05478	4.5
93.07015	2.3
97.10168	5.6
98.20817	1.8
105.07008	4.5
107.08589	6.9
109.10170	7.4
117.07076	1.6
119.08578	3.0
121.06490	3.8
125.09634	4.4
127.11208	26.3
129.06987	2.6
130.03154	1.4
131.08519	4.5
133.06503	1.8
133.10168	2.7
135.08034	6.2
137.06027	1.8
137.09688	1.7
141.06944	1.9
143.08543	3.1
144.09435	1.4
145.06499	4.2
145.10109	3.8
147.08035	2.1
149.09625	2.4
157.10159	3.0
159.08064	5.4
161.09645	4.1
162.06673	1.5
163.07527	4.3
169.10109	2.5
172.08841	3.8
173.09618	5.7
175.07555	12.2
177.09119	5.2
181.10062	1.5
181.69849	1.6
185.09581	2.5
187.07529	2.0
187.11156	6.0
189.09181	11.0
198.06821	1.9
199.11176	2.8
201.09175	6.1
201.12733	4.1
203.10648	10.7
205.08733	2.0
211.11270	3.0
212.08369	2.4
213.09120	2.2
213.12686	3.4
215.10677	28.6
217.12291	9.3
219.10132	4.4
225.12672	3.1
226.81059	1.8
227.10677	3.3
227.14288	2.8
229.12292	13.2
231.10170	3.6
231.13875	2.2
239.10674	1.9
241.12209	5.9
243.13850	3.2
245.11720	5.4
247.10046	1.6
249.11307	1.8
255.13765	2.8
257.11566	1.8
259.13284	4.5
261.11359	3.2
263.12784	27.8
265.10730	3.0
271.13608	1.5
273.14868	4.7
273.18420	1.9
275.12775	6.9
279.12189	2.9
283.16983	3.4
287.12915	2.5
287.16309	4.0
289.14252	3.7
297.18564	3.1
301.14789	2.7
301.18008	22.4
315.19556	25.5
319.15372	4.3
325.17990	4.1
333.20605	6.3
343.19031	8.0
361.20105	100.0
362.20160	2.4
362.32614	2.3
372.91971	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.201
Annotation	Sarcophytin C
Peak:m/z	Relative Intensity
53.03946	2.7
55.05515	41.9
55.16357	2.2
57.03436	3.2
58.02276	2.3
67.05492	9.5
67.16265	2.3
69.03416	6.8
69.07061	6.8
69.51470	16.7
71.04993	29.0
79.05488	4.3
81.07053	3.8
83.04990	29.8
91.05464	9.6
93.07042	4.4
97.10172	14.6
105.07030	9.9
107.08616	11.3
109.10143	11.1
117.07042	3.2
119.08524	3.3
121.06522	6.0
122.18552	2.2
127.11208	26.3
128.06287	3.3
129.07025	3.3
131.08592	4.8
133.10152	3.1
135.08051	7.7
137.05983	4.2
142.07777	2.7
143.08592	6.8
145.06497	3.3
145.10121	6.6
147.08118	2.9
149.09671	5.1
152.41635	2.2
154.07768	3.8
155.08545	5.6
157.10184	3.4
158.91670	2.3
159.08046	6.5
161.06064	3.2
161.09650	4.6
163.07587	6.9
167.08646	2.5
169.10127	4.9
171.08131	3.5
171.11743	3.8
172.08894	4.4
173.09625	7.4
175.07498	14.1
175.11172	5.5
177.09114	8.6
179.08560	2.5
182.07242	2.5
185.09679	5.9
187.07541	2.3
187.11166	7.0
189.09099	14.8
191.10738	3.0
197.09576	5.6
197.32170	2.3
199.11250	6.8
201.09093	4.8
201.12811	8.0
203.10677	16.0
211.11115	3.8
213.12718	6.1
215.10675	39.5
217.08586	4.0
217.12245	17.4
219.10210	6.2
227.10693	9.4
229.12268	12.1
231.10246	6.5
231.13882	3.4
241.12233	7.9
243.10246	3.8
243.13835	2.7
245.11830	8.0
249.11218	5.9
255.13692	2.5
257.11691	3.6
259.13358	5.9
261.11389	3.2
263.12814	58.3
265.10678	3.9
273.15039	4.9
273.18564	5.3
275.12888	6.0
277.14404	7.1
279.12222	3.0
283.17084	6.3
287.12808	7.4
287.16248	3.1
289.14346	7.7
297.18518	5.0
301.18030	26.4
305.13873	4.3
315.19611	24.5
319.15533	14.8
333.20645	17.5
343.19104	6.9
361.08969	2.5
361.20120	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2013
Annotation	7-Methoxyrosmanol
Peak:m/z	Relative Intensity
52.34255	1.6
55.01863	2.4
55.05515	20.7
57.00446	1.6
57.03431	2.8
57.07059	2.2
66.98148	1.8
67.05502	11.7
68.99802	4.6
69.03422	6.3
69.07056	7.5
70.86534	1.9
70.86900	4.5
71.05003	19.4
79.05523	8.0
79.47507	1.6
81.07061	8.4
82.50343	1.5
83.01349	1.8
83.04977	22.9
91.05487	9.6
93.07050	6.5
95.04988	3.2
97.06506	3.8
97.10176	5.3
99.04452	6.3
105.07050	10.3
107.04976	2.3
107.08574	5.7
109.06498	4.0
109.10168	11.3
115.05384	1.9
117.07029	3.5
118.04122	1.6
119.04930	4.0
119.08575	3.4
120.27482	1.7
121.02876	11.9
121.06474	4.4
125.09641	6.0
127.03918	9.9
127.11201	24.9
128.06203	4.1
129.07001	4.1
131.04929	3.1
131.08565	7.7
133.06512	2.0
133.10080	3.1
135.08075	3.9
137.05940	2.1
139.00237	3.2
141.07011	3.9
143.08549	7.7
145.06456	5.5
145.10126	6.5
147.08063	4.0
147.11708	2.3
149.09532	2.0
153.06973	3.0
154.07784	7.2
155.08545	3.1
156.09326	1.6
157.10133	4.8
159.08090	3.2
159.11708	3.3
161.05974	2.4
161.09692	2.8
163.07545	3.4
165.05487	2.1
165.09151	1.9
167.08566	3.0
169.10097	8.8
171.07947	2.1
171.11685	2.4
172.08827	3.6
173.05930	1.7
173.09602	7.0
173.13295	2.2
175.07576	9.9
175.11166	2.2
177.05424	2.0
177.09146	3.6
179.08554	3.2
182.07210	3.2
183.02885	27.5
185.09599	2.7
187.03885	2.0
187.07520	2.2
187.11215	5.3
188.08417	1.9
189.09148	10.5
189.12755	2.2
191.07108	5.6
193.08669	2.6
197.00761	3.7
197.04475	2.2
197.09570	10.0
199.11166	3.8
200.04715	4.3
201.09085	4.9
201.12598	2.2
203.10707	9.4
205.08563	3.0
211.02354	14.0
213.05528	2.6
213.09242	2.0
213.12744	1.8
215.01491	1.6
215.03432	4.4
215.06836	1.6
215.10693	18.8
217.08719	3.4
217.12160	4.9
219.10158	7.2
225.09109	5.5
227.10707	5.2
229.03256	3.3
229.12274	11.4
231.10107	6.2
231.13853	3.0
241.12196	4.6
243.10158	4.9
243.13774	1.9
245.11681	4.0
249.11142	4.0
257.04370	9.2
257.11795	1.9
259.13318	3.4
261.11215	6.6
263.12845	13.6
269.04446	4.0
269.18594	1.7
271.02390	4.7
273.14804	6.7
273.66541	1.8
275.12772	3.3
277.14514	2.1
279.12308	4.4
283.16910	3.2
285.03876	4.3
286.04715	7.5
287.12680	2.4
298.04697	4.2
299.05463	2.8
299.16321	2.9
301.07080	10.2
301.17896	13.4
303.04935	2.2
303.15591	1.8
305.13892	3.3
308.08044	2.0
313.03354	4.1
314.04178	5.6
315.04773	3.6
315.19601	7.1
317.17419	2.7
319.15512	3.4
328.05371	2.2
329.06570	100.0
330.07043	4.3
331.04498	10.2
333.20569	4.2
343.08228	13.1
343.19080	11.7
346.06699	3.4
347.40732	2.0
361.09262	15.5
361.20071	42.0
362.32935	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	361.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.01873	4.1
55.05515	74.3
58.51073	2.0
65.03952	2.6
67.05507	3.9
67.88113	2.4
69.03416	3.2
70.77133	4.7
75.11056	2.1
79.05479	12.1
81.03413	4.2
81.07056	6.2
83.04984	100.0
91.05486	17.0
93.07030	5.5
95.04966	4.9
95.08638	3.1
97.06516	3.5
99.72305	2.3
103.05458	5.2
105.07040	16.6
107.04947	7.0
107.08601	5.7
115.05463	9.1
117.07021	11.5
119.04937	2.9
119.08572	5.6
121.06547	5.0
123.04450	2.4
123.08090	6.0
128.06248	16.6
129.07025	14.7
131.04933	5.5
131.08571	8.0
133.06508	6.9
135.04404	6.0
135.08022	3.7
137.56717	2.1
141.06995	21.5
142.07771	8.2
143.08563	28.2
145.06473	6.9
145.10124	6.5
147.07954	2.5
152.06245	3.7
153.07016	14.8
154.07782	33.9
155.08565	16.1
156.09402	5.6
157.06538	5.8
157.10156	4.8
158.07391	3.0
159.08047	5.6
159.11719	5.2
163.03865	4.4
165.07021	7.0
166.07814	6.1
167.08551	11.1
169.10138	51.2
169.87387	2.3
171.08011	11.6
171.11647	5.1
173.06006	5.3
173.09639	9.9
175.07532	3.5
179.08493	11.4
181.06549	4.5
181.10135	6.2
182.07275	9.2
183.08098	4.8
185.09644	4.7
187.11154	12.3
189.09122	5.8
197.09630	56.2
199.11234	7.8
201.09140	4.5
213.09102	4.1
214.70674	2.3
215.10677	27.2
219.10120	4.1
225.09094	31.8
243.10194	37.3
261.11255	14.1
317.17480	3.2
331.04489	11.2
346.06757	3.2
361.09094	14.7
361.19830	5.8
361.23904	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	361.1649
Annotation	Molephantinin
Peak:m/z	Relative Intensity
53.03948	2.8
55.01871	1.7
55.05517	62.8
56.05828	0.8
56.71909	0.8
57.74290	0.7
65.03943	0.7
67.05506	2.9
68.23186	0.6
69.03435	2.5
71.51488	1.1
79.05485	3.8
81.03436	0.8
81.07075	2.4
83.04991	100.0
84.05302	0.9
89.08644	0.7
91.05479	5.9
93.07064	2.7
95.04987	4.1
95.08604	1.3
101.06066	0.8
103.05470	1.0
105.07047	7.2
107.04987	2.3
107.08574	0.9
109.06529	2.3
115.05488	2.5
116.06194	0.7
117.07040	3.5
119.08608	1.4
121.06531	4.2
121.14007	0.7
123.04426	1.1
127.11214	1.4
128.06242	4.5
129.07011	5.1
130.07832	1.2
131.08592	3.4
131.09474	0.9
133.06554	1.0
137.05974	1.1
141.07024	5.1
142.07817	2.1
143.08594	5.8
145.06525	2.4
145.10161	2.6
147.08060	1.8
149.06007	1.2
152.06247	1.0
153.05566	1.7
153.07025	3.0
154.07796	7.0
155.08617	4.6
157.06470	1.3
157.10165	2.2
158.07224	0.8
159.08014	0.9
159.11702	1.5
161.09692	1.8
163.03926	0.8
165.07045	1.5
166.07941	0.7
167.08604	2.7
169.06407	0.8
169.10147	11.7
171.08118	3.3
171.11760	1.3
172.08980	0.7
173.05991	1.2
173.09676	3.4
175.07672	1.1
178.07793	1.2
179.08633	2.6
181.06516	0.8
181.10196	1.0
182.07343	2.9
183.08046	1.0
185.09633	3.4
187.07475	0.8
187.11244	2.5
189.09178	1.5
197.09634	8.6
199.11205	1.2
201.09181	1.1
213.09100	1.3
215.10728	5.9
217.08653	0.9
225.09225	2.6
231.10225	1.4
233.11787	0.8
243.10207	4.2
261.11298	8.7
328.06140	0.8
331.04785	2.5
361.09253	4.3
361.16672	2.5
364.43683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1647
Annotation	Molephantinin
Peak:m/z	Relative Intensity
51.89975	1.1
53.03947	2.6
55.01870	1.5
55.05517	66.6
65.03935	1.3
67.05503	1.9
69.03428	1.8
69.89449	3.5
69.89872	2.5
75.53408	1.1
79.05489	4.1
81.03419	1.5
81.07057	2.7
83.04987	100.0
91.05489	10.5
93.07045	2.6
95.04985	7.9
96.22025	1.1
97.02898	1.3
98.21414	1.4
103.05428	1.3
105.07030	6.7
107.04966	2.9
109.06519	1.8
115.05492	2.6
117.07004	6.0
119.08589	2.0
121.06517	6.6
128.06230	6.2
129.07047	7.8
130.07709	1.4
131.08578	3.1
135.04442	1.5
141.07004	5.9
142.07710	2.8
143.08591	7.8
145.06477	3.8
145.10127	2.6
147.08051	2.1
149.05983	1.4
153.05547	1.7
153.07004	5.6
154.07780	12.2
155.07462	1.3
155.08530	7.0
157.06514	1.9
157.10074	1.2
158.07269	1.5
159.08073	1.3
159.11691	2.1
161.05983	1.4
161.09746	1.3
167.08603	4.9
169.10141	16.8
171.08096	4.5
172.08768	1.7
173.06024	1.9
173.09624	6.0
179.08623	3.5
181.06410	1.2
182.07283	3.7
185.09608	3.5
187.11237	3.5
197.09650	13.3
201.09106	1.9
213.09392	1.4
215.10713	8.0
225.09145	5.5
243.10190	5.6
261.11206	9.6
274.39117	1.3
315.27988	1.1
361.16434	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	361.1648
Annotation	Molephantinin
Peak:m/z	Relative Intensity
50.05437	0.9
51.24030	0.8
53.03957	4.1
54.32554	0.8
55.01868	2.6
55.05516	69.3
59.69915	0.8
65.03898	1.0
67.05498	3.3
69.03426	2.9
70.44095	3.0
79.05499	5.0
81.03404	1.4
81.07046	3.7
83.04989	100.0
84.05300	1.6
91.05495	8.4
93.07031	4.2
95.04981	4.5
95.08610	1.3
97.02889	2.3
97.06519	1.9
103.05465	2.0
105.07027	5.7
107.04949	3.9
107.08653	1.4
109.06521	3.2
111.04446	1.0
115.05461	3.2
116.10721	0.9
117.07015	6.9
119.04976	1.5
119.08598	4.4
121.06516	5.7
123.04430	1.3
123.11687	1.2
128.06250	6.2
129.07048	6.1
130.07779	1.1
131.08565	3.7
133.06499	1.8
133.57443	0.9
135.04414	3.2
135.07986	1.3
137.05951	3.1
141.07005	5.5
142.07762	2.7
143.08591	7.9
145.06490	2.5
145.10138	4.4
147.04344	1.3
147.08070	2.8
149.05992	1.3
153.05426	1.1
153.06984	2.6
154.07805	8.5
155.08580	5.3
157.06526	2.2
157.10110	2.5
158.07289	1.7
159.08052	1.5
159.11688	1.8
161.05942	1.3
161.09584	0.9
163.07558	1.1
165.07027	1.4
167.08498	2.9
169.10149	13.6
171.08057	4.1
171.11667	1.1
173.09659	5.2
175.07541	1.4
179.08551	2.4
181.06404	1.3
181.08650	1.0
182.07353	2.2
183.08031	1.1
185.09645	3.0
187.11195	2.9
187.31068	0.8
188.50987	0.8
189.09190	1.5
197.09634	10.8
199.11186	1.4
201.09059	1.4
215.10780	4.4
225.09151	4.3
231.10019	1.1
243.10129	6.4
261.11234	11.9
262.55658	0.9
272.06567	2.0
282.06934	0.8
300.06250	2.1
301.11795	0.8
329.11301	1.4
346.06882	2.5
357.10233	1.0
361.09436	7.2
361.16418	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	361.1646
Annotation	Molephantinin
Peak:m/z	Relative Intensity
53.03946	3.4
55.01863	1.4
55.05517	60.1
58.25897	0.7
65.03940	1.1
67.05506	2.0
69.03443	2.5
79.05488	2.7
81.07057	1.7
83.04987	100.0
91.05486	5.3
93.07068	1.7
95.05007	4.1
103.05478	1.2
105.07020	4.6
107.04983	1.6
109.06519	1.5
115.05492	2.1
117.07020	3.4
119.08524	2.1
121.06511	3.6
128.06247	5.2
129.07048	4.4
131.08562	2.4
135.04430	1.2
137.06070	0.8
141.06996	6.4
142.07816	2.2
143.08578	6.9
145.06502	2.5
145.10136	2.7
147.08061	2.3
153.05452	1.0
153.07030	2.3
154.07799	8.2
154.12558	1.0
155.08583	5.1
157.10181	1.3
158.07356	1.2
159.08029	1.3
167.08620	2.6
169.10126	10.4
169.43765	0.9
171.08107	3.2
173.09605	3.3
179.08566	3.0
182.07259	2.4
183.08075	1.7
185.09639	3.4
189.09052	1.7
197.09633	9.7
199.07608	1.0
199.11241	1.3
201.08963	1.1
213.09076	1.1
215.10686	4.4
225.09163	3.0
231.10194	1.5
243.10190	3.3
261.11273	9.9
361.16516	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1647
Annotation	Molephantinin
Peak:m/z	Relative Intensity
53.03949	2.7
55.01875	1.5
55.05518	65.6
66.51093	0.9
67.05505	2.0
69.03428	1.7
70.70396	3.1
79.05488	4.0
81.07050	1.8
83.04989	100.0
84.05343	1.0
91.05492	6.1
93.07063	2.7
95.04966	4.5
97.02927	1.4
105.07050	3.6
107.04965	3.5
107.48756	1.1
109.06528	1.3
115.05461	2.2
117.07022	5.3
119.08628	1.3
121.06493	6.3
128.06233	5.6
129.06999	4.1
131.08546	3.3
133.06519	1.6
135.04417	1.5
141.07010	4.6
142.07735	1.3
143.08560	7.2
145.06496	3.1
145.10146	2.9
147.08067	2.1
153.05464	2.4
153.06989	2.3
154.07805	7.7
155.08537	4.0
156.09396	1.3
157.06580	1.9
159.08105	2.1
159.11726	1.8
167.08600	2.4
169.10175	11.3
171.08032	5.0
171.97406	1.1
173.09637	3.4
179.08559	3.7
182.07304	2.1
185.09592	3.0
187.11266	2.0
189.09198	1.6
197.09653	9.0
199.11267	1.5
201.09175	1.8
215.10690	5.4
225.09131	3.8
243.10213	4.9
253.86299	1.2
261.11185	8.8
272.06955	1.1
304.93524	1.0
328.05923	1.9
331.04510	4.4
347.51288	1.0
361.09198	9.5
361.16470	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	361.0919
Annotation	Dibefurin
Peak:m/z	Relative Intensity
50.88084	0.4
51.38312	0.4
55.01828	0.6
55.05445	4.0
55.05728	1.1
60.35739	0.4
62.30520	0.4
68.99746	0.5
70.50558	0.4
71.01307	0.8
83.04897	6.7
83.22742	0.4
89.03861	0.7
90.41138	0.5
98.21538	1.2
99.00768	1.3
99.43578	0.5
117.03317	0.5
128.06123	0.6
133.02779	0.8
134.03583	0.7
148.05211	2.3
149.05994	8.9
151.03909	4.5
154.98669	0.7
154.99757	9.1
155.08524	0.5
169.10071	1.0
173.05724	0.5
180.00525	1.1
182.99263	17.7
185.09355	0.5
198.01559	1.4
201.00302	6.3
201.05353	0.5
213.03827	1.3
215.03485	0.6
225.08989	0.6
229.04985	0.9
243.06537	1.0
243.10208	0.6
244.07274	1.8
257.04364	0.8
285.03918	0.6
288.02521	1.9
300.06277	1.4
303.05032	7.3
312.12881	0.5
313.03534	2.0
316.02148	7.7
328.01859	0.8
328.05765	17.1
331.04477	74.2
332.05032	1.5
346.06818	13.7
361.09183	100.0
362.09540	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	361.0921
Annotation	Dibefurin
Peak:m/z	Relative Intensity
53.97504	0.5
55.01847	1.0
55.05518	5.1
65.96266	0.5
69.93941	1.5
69.94350	0.8
83.04992	6.8
85.02898	0.8
87.04537	0.5
95.04968	0.5
98.21411	0.6
113.02349	1.4
116.70752	0.5
121.06458	0.5
123.00754	0.5
135.04407	4.3
135.08020	0.5
137.01514	0.4
137.02350	4.8
138.03064	0.5
148.05203	0.6
151.00241	1.4
151.96924	0.5
154.07745	0.5
165.01814	0.8
166.99614	0.5
168.99988	0.8
169.01329	10.4
169.10130	0.6
171.07961	0.5
178.99800	1.1
179.96196	0.5
197.00832	15.5
197.09601	0.5
215.01855	3.2
216.04102	0.9
229.05081	0.6
243.10100	0.5
257.04385	1.0
271.05878	0.7
279.96613	0.6
285.03925	2.4
288.02652	5.1
299.05554	2.8
300.06281	3.2
303.05054	4.7
311.05557	0.7
313.03442	28.2
314.03879	0.9
315.05103	0.6
316.02118	1.6
317.06613	0.8
317.17365	0.6
327.04996	1.5
328.05820	3.7
331.04504	68.8
332.04868	2.0
346.06943	6.9
361.09207	100.0
362.09521	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	361.092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
55.05516	8.9
57.10618	1.0
67.05508	5.1
67.09146	1.1
68.99788	4.1
69.03450	2.5
69.07059	2.3
69.65275	6.3
71.04993	7.4
74.34793	1.2
79.05482	3.7
81.07054	5.0
83.01363	1.4
83.04988	11.2
91.05491	4.7
93.07053	5.0
95.01352	1.7
95.04995	2.2
95.08614	2.5
97.10180	1.6
99.04453	7.4
103.79711	1.0
105.07035	6.1
107.08587	4.2
109.06467	1.9
109.10159	5.7
117.07024	3.0
118.04147	1.8
119.04931	3.9
119.08579	3.6
120.47145	1.0
121.02887	12.5
121.06507	3.5
121.10164	1.2
123.00839	1.2
125.09627	1.7
127.03916	12.4
127.11199	8.4
128.06244	2.4
129.07014	1.9
131.04916	1.2
131.08569	3.2
133.06587	1.2
133.10117	2.2
135.00882	1.1
135.08058	1.8
139.00269	2.3
141.06976	1.8
142.07762	1.5
142.39702	0.9
143.08589	3.1
145.02892	2.6
145.06516	1.7
145.10173	2.6
147.04431	1.9
147.08028	2.2
147.11662	1.3
153.01793	1.2
153.07001	1.2
154.07777	2.6
155.08562	2.5
157.10141	2.2
159.08072	1.7
159.11693	2.9
163.07593	1.4
163.11084	1.1
164.79448	0.9
167.08525	1.4
168.00580	1.4
169.01358	1.8
169.10115	3.4
171.08139	1.7
171.11696	1.6
173.09634	2.9
175.07544	4.1
175.11336	1.1
177.09161	2.0
179.08536	1.3
181.06281	1.1
182.02179	1.3
182.07349	1.1
183.02898	26.8
185.06000	1.3
185.09668	1.0
186.01677	2.6
187.03889	2.0
187.07562	1.6
187.11230	1.8
189.09126	3.9
191.07077	1.6
197.00838	2.7
197.04489	3.0
197.09654	7.1
200.04697	2.9
201.09091	1.2
201.12686	1.0
202.06425	1.3
203.10612	5.0
211.02391	13.2
213.05476	2.4
214.02678	1.1
214.29990	1.2
215.03412	4.5
215.10704	6.6
217.12210	2.4
219.10178	4.0
225.09114	1.7
226.06215	1.7
227.10657	3.0
228.04158	1.3
229.03441	4.6
229.12260	4.4
231.10175	2.9
231.13744	1.3
233.04453	2.0
235.09624	1.2
241.12106	2.5
243.02940	1.2
243.10194	2.7
243.13937	1.4
245.11737	1.5
257.04559	8.1
258.05142	1.8
259.13300	2.4
261.11304	2.4
263.12781	6.7
268.03729	1.9
269.04507	3.3
271.02402	6.7
273.14844	2.6
275.12820	2.2
279.12363	2.4
283.16769	2.6
285.03949	4.5
286.04785	9.2
297.03833	2.1
298.04633	2.5
299.05457	1.9
301.07095	12.1
301.18173	5.5
303.16034	1.5
305.13736	2.5
313.03433	2.3
314.04224	7.3
315.04898	2.5
315.19592	2.5
329.06564	100.0
330.06906	2.8
331.04532	4.7
333.20587	2.1
343.08139	13.6
343.18951	3.5
346.06726	1.1
361.09201	8.6
361.16016	1.8
361.20071	17.1
362.32993	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.3
55.05501	1.7
61.02933	2.4
69.03430	4.5
69.69592	3.7
69.69984	2.6
70.06592	4.1
72.08164	2.8
73.02943	1.6
74.06121	1.5
75.87009	1.2
81.03433	2.3
84.04503	2.2
84.08143	2.0
85.02908	17.9
86.09717	11.1
89.03910	2.8
90.01137	1.2
91.05479	1.6
95.04960	1.5
97.02905	4.0
103.05475	33.7
104.42653	1.2
105.07005	1.4
109.02927	1.6
112.25636	1.4
117.03361	4.1
122.88005	1.4
127.03921	5.1
131.04939	100.0
132.05235	2.5
135.04430	11.9
137.06024	4.3
139.03870	1.2
145.02876	8.6
145.04990	4.1
150.30505	1.3
163.03917	84.7
163.07547	36.5
180.10202	2.0
181.04965	32.8
198.11258	4.0
199.18082	1.9
360.17172	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	360.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01873	3.2
55.05507	5.8
57.03425	2.5
61.02915	4.0
65.84284	1.2
69.03440	6.2
70.27828	1.5
70.28174	4.2
70.34718	1.4
73.02950	1.9
79.05450	1.2
81.03420	2.8
81.07033	1.7
83.04989	8.3
85.02917	26.3
86.06060	1.9
87.04461	1.7
91.05465	3.6
93.07055	3.7
97.02898	8.6
99.99590	1.2
103.05492	8.2
105.07044	1.5
105.69357	1.1
107.04959	2.6
109.02878	2.5
116.10746	2.4
117.29185	1.2
119.05004	1.3
121.06515	17.9
125.02332	2.1
127.03936	3.4
128.06311	1.3
129.06969	2.1
131.04942	1.6
135.08076	2.7
140.04697	28.8
145.04988	5.2
149.06013	20.4
149.98839	1.8
153.05486	12.7
163.07512	1.5
180.08682	2.4
181.08609	100.0
182.07367	1.6
182.08920	2.0
264.28229	1.5
360.23889	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49108	5.1
55.01880	7.4
55.05514	47.6
62.40978	5.0
64.91247	5.5
67.05490	25.8
69.07070	13.4
71.51274	7.8
79.05080	6.5
79.05501	100.0
81.07063	29.6
82.30975	5.4
83.04972	19.8
91.05482	55.9
93.07024	20.6
95.08591	16.6
97.10122	8.5
105.07035	35.0
107.04933	7.7
107.08589	46.7
115.05476	7.1
117.06979	28.6
119.08543	16.5
121.10221	7.8
128.06238	15.0
129.06993	20.1
131.08572	36.6
133.10141	11.9
141.06989	16.5
143.08517	20.5
145.10127	18.8
154.07799	6.6
155.08563	20.5
157.10127	11.9
159.08028	6.8
159.11702	10.8
161.09645	6.8
168.09375	8.4
169.10056	18.9
171.11707	6.8
173.09688	6.6
173.13153	6.9
183.11662	13.2
197.13277	8.2
207.77383	5.6
348.86823	5.8
360.37491	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	360.129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03656	0.4
53.03937	0.4
55.01868	0.6
56.05017	0.4
57.03445	0.8
60.80614	0.4
61.02930	1.8
67.12666	0.4
69.03432	2.5
70.06580	0.4
70.61008	0.9
70.61348	0.5
72.08156	1.1
72.53357	0.4
73.02919	0.6
79.05503	0.5
81.03407	1.4
84.04500	0.7
85.02907	12.3
86.09704	1.6
89.03909	4.3
91.03962	0.8
91.05475	0.6
94.93399	0.4
97.02901	3.8
99.04450	1.0
99.42760	0.4
102.05561	0.5
103.05485	0.7
107.04947	2.3
107.08525	0.4
109.02861	1.0
114.02383	0.4
117.03388	7.2
118.08686	0.5
127.03914	2.5
131.04938	1.2
135.04424	14.2
137.05977	0.8
139.03911	1.0
145.02855	10.9
145.04932	3.0
159.01465	0.4
163.03905	100.0
164.04231	1.1
180.08693	0.8
180.10139	0.7
181.04962	37.4
198.11218	0.9
215.13930	0.4
226.10425	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23851	0.7
53.03941	1.8
55.01871	1.2
55.05506	5.7
55.90152	0.8
57.03440	1.0
59.05000	1.1
67.05502	2.6
68.86498	0.8
69.03423	1.9
69.07063	1.6
69.48483	0.8
69.59487	3.5
69.59901	1.5
79.05496	9.7
81.06593	1.1
81.07062	20.3
83.01314	0.8
83.04996	4.2
85.06548	1.8
85.23145	0.8
91.05483	4.2
93.07038	2.9
95.04942	2.2
95.08584	1.9
97.06526	2.5
97.36549	0.8
98.21588	0.9
103.05452	1.2
105.07046	4.9
107.04966	5.2
107.08610	2.0
109.06535	15.4
109.07251	1.3
111.08093	8.4
113.06005	0.8
115.05469	2.4
117.07011	3.4
119.04921	1.2
119.08585	3.2
121.06531	1.9
122.09633	2.0
123.04404	0.9
123.08099	7.9
125.05998	0.8
128.06216	3.4
129.07024	3.0
131.04979	1.5
131.08582	2.4
133.10155	1.0
135.04413	0.8
135.08061	3.5
139.07597	1.2
142.07802	1.7
143.08588	4.3
145.06494	3.4
145.10126	1.5
147.08058	1.5
149.05997	1.0
151.07578	2.3
153.06947	1.8
154.07745	1.4
155.08569	1.9
157.06537	0.9
157.10158	2.0
158.07233	0.9
159.04489	0.8
159.08051	2.4
159.11707	1.7
160.22519	0.8
161.05994	0.8
161.09599	2.2
163.07526	1.5
165.07025	1.8
166.07773	0.9
167.06989	1.0
167.08623	3.1
168.09283	1.6
169.10168	2.4
171.08035	2.2
173.06021	2.1
173.09581	1.9
175.07553	2.0
177.05537	1.0
177.09079	2.8
178.07643	1.0
179.08595	1.8
181.10143	3.0
183.08063	1.6
183.11653	1.8
185.09592	4.0
187.07605	1.0
187.11182	1.4
188.11934	1.2
189.09070	1.3
192.09323	2.3
193.10101	1.6
195.08078	2.2
196.08810	0.9
197.09631	1.9
197.13272	1.2
199.07526	2.4
199.11078	0.8
201.05380	0.8
203.06993	1.1
207.11737	3.8
209.09685	1.6
209.13200	1.7
210.10378	1.2
211.07550	1.0
211.11162	1.4
213.09129	2.4
215.10818	1.2
220.08820	1.7
220.71046	1.0
223.07585	0.9
223.11191	1.0
225.09271	1.3
225.12804	3.4
227.10654	1.0
231.10130	1.5
235.11215	3.9
237.08995	1.2
237.12773	1.2
239.07091	1.1
239.10706	1.4
241.08620	2.8
243.13782	0.8
251.10675	2.6
253.12253	9.0
255.10193	0.9
259.09677	1.3
263.10706	4.1
271.13327	3.1
281.11743	9.4
285.14749	1.7
295.13235	1.4
299.12799	8.8
309.11316	1.0
313.14316	6.8
327.12350	2.1
329.06693	1.5
331.15753	1.3
341.13815	2.7
359.15414	9.3
359.21939	100.0
360.21539	1.6
360.25818	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	359.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.2
57.07077	3.5
67.05506	14.1
69.07065	4.9
70.06596	4.3
70.94706	2.0
70.95039	4.5
74.38511	1.9
79.05508	7.1
81.07064	31.9
83.04987	4.3
88.07644	5.8
91.05487	8.9
92.26368	1.8
93.07044	19.3
95.08618	33.3
97.10165	2.6
105.07040	20.4
106.08717	3.2
107.08606	19.8
108.08185	2.0
109.10170	19.2
117.07032	3.0
118.35780	1.9
119.08566	16.4
121.10145	15.4
123.11742	11.4
131.08644	5.9
131.68724	2.1
133.10158	12.4
135.11716	18.1
137.13257	2.5
143.08632	3.3
145.10135	6.9
145.90710	2.0
147.11708	13.3
149.13292	11.1
157.10239	2.9
159.11743	4.9
161.13258	18.3
163.14862	6.2
175.14850	14.9
187.14877	3.3
189.16373	17.4
201.16472	6.3
213.09097	2.4
215.18021	9.7
227.90138	2.1
229.19589	3.4
241.08699	2.1
271.21301	4.9
271.24231	100.0
272.24478	4.0
341.36020	3.1
359.27249	13.2
359.37204	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	359.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.05519	2.6
61.95601	0.5
67.05508	1.1
69.03439	0.9
69.07056	0.7
69.68755	1.0
69.69160	2.7
72.83709	0.5
75.40355	0.5
78.22929	0.5
79.05489	2.9
81.07058	5.3
83.01335	0.5
83.04986	3.9
85.06506	0.8
91.05492	2.6
93.07044	1.5
95.04969	0.6
95.08640	0.9
97.06554	1.2
105.07028	2.0
107.04930	1.1
107.08590	0.6
109.06519	3.0
111.08063	2.3
115.05442	1.2
117.07049	1.0
119.04948	0.8
119.08600	0.7
121.06493	0.8
121.10133	0.6
122.09649	1.4
123.08085	1.3
125.05926	0.7
128.06229	0.9
129.07005	1.6
131.08569	1.4
133.10168	1.0
135.08081	1.1
141.07039	0.7
142.07773	1.5
143.08551	1.7
145.10133	0.9
150.61453	0.5
155.08571	1.2
157.10188	1.0
159.08078	1.2
161.09700	0.6
167.08524	1.0
171.08043	0.8
173.05972	1.1
179.08545	0.7
185.09634	2.0
187.07585	0.7
191.07077	0.8
199.07507	0.9
201.05730	0.7
207.11603	0.5
213.09128	2.8
217.08737	0.6
225.09305	0.5
225.12747	0.7
235.11194	1.3
241.08597	1.6
253.12256	1.5
263.10840	0.8
281.11746	1.7
299.12912	1.3
313.14423	0.9
317.94528	0.6
330.29108	0.7
341.13733	0.7
359.14716	2.4
359.21942	100.0
360.21762	1.5
360.25400	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	359.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05099	3.3
52.15272	3.7
55.01882	6.4
55.05510	6.1
67.05513	8.9
69.03434	5.9
69.07063	12.4
69.24387	33.4
71.04996	4.9
79.05505	13.9
80.61820	3.4
81.03402	3.9
81.07061	12.6
84.04475	3.7
84.08147	4.0
85.02895	11.5
85.06544	100.0
86.09714	37.1
91.05451	19.8
93.07047	12.0
95.04981	4.7
95.08587	4.4
97.02898	5.6
97.06536	5.3
103.05460	13.9
105.07036	45.7
107.04967	4.3
107.08577	10.3
109.06530	4.5
109.10164	5.4
114.05534	4.0
119.04947	9.8
119.08595	9.4
121.06544	6.3
121.10163	10.0
123.98858	3.7
131.04898	12.2
131.81035	3.3
132.10216	3.5
133.10135	10.6
135.11674	6.8
137.05965	32.1
138.06299	4.3
141.10207	5.1
145.10146	6.2
147.04474	4.5
151.07483	4.9
155.11760	7.7
161.06013	9.6
161.13261	13.3
162.06456	5.9
163.07518	6.5
163.11191	6.8
175.07608	6.0
179.07092	8.2
179.14313	15.3
187.07579	5.0
191.10683	5.4
197.15343	11.7
200.14009	23.9
219.07982	4.9
228.13406	6.7
297.11224	7.6
311.12833	5.8
316.17715	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	359.1855
Annotation	Cryptomoscatone F1
Peak:m/z	Relative Intensity
50.53898	1.8
53.03931	2.2
55.01866	2.9
55.05504	6.6
57.03426	6.7
59.04968	1.8
61.02919	7.4
62.62630	1.8
67.05511	15.4
69.03416	6.0
69.07056	4.2
69.38557	13.7
73.02892	2.7
79.05476	5.5
81.03419	2.2
81.07066	9.6
83.04971	4.1
85.02918	10.9
86.09698	2.6
91.05468	6.1
93.07056	7.6
95.04960	4.0
95.15263	1.8
97.02890	6.4
103.03950	5.0
105.07008	5.6
107.04991	2.1
107.08578	3.3
109.06474	3.5
109.10147	10.6
119.04827	2.2
119.08583	3.6
121.06541	4.5
121.10120	3.4
125.05997	2.7
127.71503	1.7
129.06996	2.6
131.08510	2.0
133.06474	3.2
133.10101	3.4
137.05998	7.2
142.07761	2.1
143.08656	2.9
145.06479	4.7
145.10162	5.2
147.08060	3.8
149.05998	2.9
151.07603	2.5
155.08592	3.2
157.10217	2.5
159.08049	5.5
161.06009	5.8
161.09615	4.2
163.07568	2.3
163.11246	3.8
167.07071	1.9
171.08073	4.3
171.11560	2.4
172.08919	1.7
173.09596	10.2
174.06790	2.8
175.06161	3.0
175.07516	13.6
175.11200	1.9
177.09097	2.3
179.08499	2.1
183.08073	4.0
185.05983	2.0
185.09688	7.3
187.07524	12.0
187.11235	7.1
187.73022	1.8
189.09109	16.1
191.10654	12.0
196.08850	2.8
197.05936	2.0
197.09630	5.5
198.06810	3.0
199.07549	7.0
200.08331	2.7
201.09138	11.9
201.12892	3.3
203.07013	2.7
203.10599	3.4
206.06030	1.9
209.09677	1.9
211.07628	2.9
211.11198	7.0
212.08266	5.0
213.09123	19.1
214.09866	4.2
215.07103	5.4
215.10670	18.3
217.08585	9.6
217.12227	4.2
219.08105	2.9
221.09669	2.6
225.09105	3.0
226.09839	3.9
227.07045	3.6
227.10666	23.9
227.14372	7.0
228.11343	2.3
229.08582	4.0
229.12234	12.8
229.15860	4.5
231.10173	6.0
231.13837	4.2
239.10678	6.8
241.08632	5.4
241.12267	12.0
243.10191	9.6
243.13858	5.3
245.15440	18.6
247.09547	2.4
253.08612	2.3
255.13869	7.0
257.11761	8.8
257.15329	5.4
259.09607	2.5
265.08600	3.1
267.14063	2.0
269.15381	100.0
270.15979	5.6
271.16971	17.9
273.11169	3.1
273.15030	2.1
277.10699	6.6
281.11819	2.3
281.15530	3.4
283.16934	2.8
285.11316	5.0
285.14822	2.7
295.16928	8.9
297.11661	2.0
297.14920	6.1
299.13232	2.2
299.16431	59.5
303.12302	19.6
311.16348	5.8
313.17752	2.6
317.13913	3.8
323.16425	20.7
329.17426	3.2
341.13757	2.5
341.17487	27.9
345.51965	1.7
359.15167	2.7
359.18546	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1856
Annotation	Cryptomoscatone F1
Peak:m/z	Relative Intensity
53.03951	3.1
55.01868	3.0
55.05517	44.9
57.03444	13.2
65.03943	4.1
67.05501	7.6
69.03425	13.2
69.07066	7.5
69.37621	6.1
69.38030	16.5
71.05000	19.9
75.03502	2.5
79.05499	8.8
81.03435	4.1
81.07058	10.4
83.04987	58.6
83.08614	3.6
91.05472	15.8
93.07052	11.6
95.04984	8.2
95.08604	9.4
102.98823	2.8
105.07036	12.0
106.87917	2.8
107.04967	7.7
107.08591	20.6
115.05453	3.2
117.07028	6.3
119.08595	4.4
121.06502	5.6
121.10157	4.1
123.08047	5.1
125.09672	12.9
127.11195	34.4
128.06233	9.1
129.07013	7.6
131.08598	7.2
133.06482	4.5
133.10153	3.3
135.08096	6.4
137.05995	4.9
141.07034	9.7
142.07748	9.1
143.08557	12.5
144.05698	3.0
145.06483	7.2
147.04425	9.4
147.08090	5.6
148.41127	2.8
149.05991	7.8
151.07487	3.4
155.08554	5.2
157.06570	3.4
157.10110	7.9
158.07251	5.1
159.08049	12.6
161.06021	5.9
161.09642	5.3
163.07536	7.0
165.06979	5.1
166.07840	3.2
167.08595	7.9
169.06532	3.3
169.10114	5.4
171.08060	10.9
171.11736	3.1
173.06038	3.6
173.09651	8.2
175.07535	5.2
179.07083	3.1
179.08562	7.5
181.06419	3.9
182.07237	3.2
183.08073	7.6
183.11815	3.6
185.09573	19.1
187.07594	10.2
188.08446	4.3
189.09123	9.0
193.10182	3.4
195.08025	12.8
196.08858	5.0
197.09659	10.0
197.13226	5.1
198.10316	3.6
199.07593	13.2
199.11153	5.3
200.08412	3.4
201.09116	11.7
203.10725	6.3
205.08586	5.1
207.11748	5.2
209.09669	6.6
209.13269	3.2
210.10391	5.9
211.07631	7.9
211.11108	14.9
212.08365	6.6
213.09079	13.3
215.07025	9.6
215.10641	8.3
217.08647	5.8
221.09532	3.0
222.10367	3.1
223.07561	6.7
223.11160	6.0
224.08440	3.7
225.09161	4.7
225.12755	20.7
227.07013	4.0
227.10652	19.1
227.14183	5.0
229.08698	9.3
229.12262	6.5
231.10158	6.6
233.08047	5.1
237.08980	3.8
237.12738	5.7
238.09891	3.1
239.10641	13.6
239.14336	4.6
241.08693	4.4
241.12311	11.8
243.10295	5.7
243.13918	8.7
245.08194	2.9
245.11661	3.7
247.09627	9.7
249.13121	3.0
251.10742	3.1
252.11604	3.8
253.12268	20.1
253.15848	3.1
255.13589	2.9
257.11661	6.7
257.15524	3.8
259.09741	5.8
261.11194	15.7
262.13577	3.6
265.12213	9.1
269.11853	6.7
271.13312	46.2
273.11307	8.2
281.11768	7.5
281.15344	5.3
285.11209	78.1
286.11774	3.0
287.12885	4.4
295.16946	14.3
299.12717	9.4
299.16199	5.2
313.18024	9.0
323.16348	16.6
333.87164	3.6
341.17456	100.0
342.17813	3.1
359.07535	3.1
359.18549	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	359.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64536	3.5
53.03939	6.9
55.01872	20.9
55.05501	16.3
57.03447	6.4
67.05495	18.0
69.03445	18.9
69.07070	29.0
70.06584	3.5
71.04989	17.4
71.49982	4.7
75.96827	5.3
79.05509	35.0
80.69807	4.3
81.03403	4.5
81.07069	63.2
83.04973	14.5
85.02904	6.8
85.06548	6.2
87.04451	6.2
91.05494	29.8
91.24860	3.7
93.07050	100.0
95.04964	11.5
95.08594	18.3
97.02903	4.3
97.06508	17.3
99.04450	6.7
103.05470	15.5
105.07049	33.9
107.04957	15.2
107.08592	49.2
107.24905	3.3
109.06528	33.7
111.04440	5.4
111.08086	18.6
113.06004	5.7
115.03919	7.8
115.05479	9.0
116.10686	5.0
117.07030	8.9
119.04957	14.1
119.08587	14.6
121.06544	24.1
121.09332	5.1
121.10155	60.6
123.08073	12.6
125.05946	6.7
127.07507	5.4
129.07008	7.4
130.07835	3.8
131.04919	16.0
131.08583	9.7
135.08025	19.9
135.11699	12.3
137.06017	28.4
143.08617	5.5
145.10124	35.1
147.04443	7.8
147.11630	4.8
149.09619	47.0
151.03917	16.9
151.07568	10.3
151.11205	8.8
161.06003	5.0
162.06635	4.0
163.07547	12.6
163.11206	67.4
167.07016	7.6
167.10667	50.7
169.08611	40.4
170.07175	4.1
173.09627	17.0
175.07513	5.7
179.07051	15.7
181.12273	23.7
185.11806	6.0
191.10675	63.2
209.11720	13.6
224.65125	4.0
227.12749	23.0
244.15353	6.3
245.15782	12.4
265.08774	3.9
277.14499	6.5
283.11719	5.3
299.14954	57.6
313.10706	6.6
313.14081	5.4
317.06494	5.3
323.14923	6.5
327.12396	9.2
329.13309	4.4
341.16470	5.0
359.07278	4.6
359.15195	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	359.1854
Annotation	(+)-Ar,11S-Myricanol
Peak:m/z	Relative Intensity
53.15160	4.5
54.15651	4.6
54.49496	4.8
55.01866	4.9
55.05512	29.8
55.61665	4.5
61.63907	4.4
67.05503	13.5
69.03429	8.8
69.07069	7.4
71.01360	13.9
71.04996	22.0
72.24969	5.0
79.05481	15.7
81.07054	14.9
83.04987	48.9
83.08618	5.6
83.88410	4.8
84.02858	4.9
91.05496	15.9
93.07057	9.3
95.08639	5.3
97.06544	6.2
99.08097	5.7
105.07027	12.4
107.08597	16.9
109.06479	5.5
109.10194	6.8
117.07000	9.9
119.08537	7.3
121.06499	5.8
125.09657	15.7
127.11215	22.3
128.06262	10.5
129.06993	17.5
129.09094	6.1
129.52461	5.7
131.08556	12.1
135.08070	12.0
138.52971	7.2
141.07022	9.2
142.07784	14.6
143.08548	17.4
143.22571	5.0
145.06447	6.0
145.10123	11.7
147.08081	5.4
149.06003	7.4
152.06157	9.0
155.08507	6.8
157.10156	13.1
159.08093	12.3
161.09560	8.3
165.06929	9.5
167.08580	14.6
169.06534	8.7
169.10138	5.1
171.08070	13.7
173.05981	6.1
175.07611	10.6
177.05437	7.9
177.09183	4.9
185.09662	19.3
187.07655	8.5
189.09125	10.7
191.07062	6.8
197.09572	7.7
198.06708	6.8
199.07567	12.8
199.11206	7.2
201.09148	5.0
203.07048	8.0
203.10780	7.8
205.04942	10.0
205.08597	14.3
206.88936	5.2
211.07445	6.9
213.09102	25.6
215.10719	12.4
217.08664	13.6
217.12198	8.8
219.06544	9.5
223.07611	7.2
227.10658	7.5
229.52451	5.7
231.10092	30.3
233.08127	16.7
233.48491	5.5
234.08943	29.2
241.08588	23.4
241.12308	11.6
243.10103	5.7
247.09697	21.7
253.12204	6.9
255.10295	15.7
259.09653	100.0
261.11243	46.8
269.11789	19.7
271.13309	21.8
273.11252	16.4
278.64053	5.7
285.11172	17.2
287.12738	12.7
287.85324	6.2
299.16418	8.2
313.17883	11.8
323.16306	8.8
329.06421	8.6
331.19058	9.9
341.17484	78.4
359.11264	10.4
359.18604	54.5
359.22702	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	359.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.7
53.77481	3.2
55.01872	7.7
55.05276	4.6
55.05519	81.9
56.43781	3.3
59.88758	2.8
67.05506	15.4
69.03439	19.8
69.07079	20.3
71.04998	8.4
71.50646	5.7
79.05497	16.5
81.03412	11.3
81.07068	14.6
83.04990	100.0
85.02897	5.7
87.00850	4.8
91.05503	16.1
93.07057	29.6
95.04968	13.3
95.08610	10.8
97.02904	7.7
97.06515	9.0
99.04450	7.9
103.05469	4.7
105.07040	34.2
107.04966	5.9
107.08600	26.1
109.06510	10.0
109.10183	4.0
111.04433	8.2
111.08071	11.0
115.05451	4.8
117.07025	13.9
119.05014	3.6
119.08560	18.2
120.89238	3.0
121.02984	2.8
121.06506	18.4
121.10140	29.9
123.04548	3.5
123.08061	6.1
127.03919	3.0
128.06226	13.0
129.07004	11.2
131.05019	3.6
131.08577	12.1
133.02827	3.0
133.10109	6.0
135.04414	7.0
135.08029	16.7
135.11697	9.6
137.06003	5.3
141.06989	8.4
142.07770	12.6
143.08559	14.1
145.06456	6.0
145.10124	29.9
147.11719	6.2
149.09644	9.2
152.06268	7.0
153.07018	4.6
155.08525	4.4
157.10109	10.6
159.08070	9.9
159.11681	6.1
161.09596	6.9
162.03336	3.0
163.11205	56.8
166.07657	4.2
167.07281	3.3
167.08583	14.0
169.06430	4.1
169.10147	4.2
170.07300	4.1
171.08047	11.0
173.09639	6.7
181.12289	15.4
185.09572	21.2
187.07599	8.1
189.09166	4.5
191.10692	70.5
195.08058	7.6
199.07571	4.1
201.05405	3.5
203.10696	4.0
209.11674	14.6
213.09152	24.7
215.07019	3.4
227.10841	4.0
227.12758	17.3
231.10175	3.9
237.15038	3.9
241.08578	10.9
259.09787	17.5
323.15051	12.2
341.17105	3.4
359.14795	8.9
359.18652	5.0
360.32281	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	359.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14437	3.0
53.03941	7.1
54.32059	2.6
55.01871	8.6
55.05511	10.1
57.03425	6.9
58.60725	3.1
67.05505	9.9
69.03433	16.0
69.07072	26.8
69.60587	5.3
69.60995	14.4
70.06590	2.9
71.04981	12.0
77.74635	3.5
79.05503	31.7
81.03438	4.0
81.07062	59.0
81.96523	3.2
83.04994	6.8
85.02921	5.5
86.09697	5.4
87.04472	6.8
91.05481	26.3
93.07053	100.0
95.04980	13.2
95.08598	9.5
97.06544	13.5
99.04461	3.5
103.05498	3.4
105.07027	28.7
107.08604	56.5
109.06554	30.2
111.08099	13.8
115.03918	7.2
117.07024	9.3
119.04974	3.2
119.08597	9.0
121.06519	27.2
121.10146	63.6
123.08015	5.0
127.07612	4.3
130.54535	3.3
131.04945	4.0
131.08557	7.3
133.47026	3.4
135.08054	19.3
135.11707	15.5
137.05945	15.3
139.11127	6.5
143.08580	4.6
145.10133	31.0
147.11684	9.0
149.05992	4.3
149.09651	42.1
151.07555	6.3
163.11201	64.1
167.10707	38.7
169.08621	28.2
173.09644	8.1
181.12207	18.2
184.29187	3.3
185.11707	4.1
191.10683	66.3
201.07492	6.2
201.12297	4.3
206.76833	3.0
209.11739	15.8
227.12865	16.1
230.07767	3.4
237.09084	4.3
241.10750	3.2
281.13864	5.8
283.11829	3.5
290.00986	3.1
295.15381	8.3
299.14911	53.7
323.15088	6.0
336.99161	3.3
359.14642	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	359.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64217	5.2
53.03948	6.0
55.01860	12.3
55.05513	10.8
57.03422	5.6
60.76358	4.8
67.05499	9.1
69.03432	12.2
69.07078	25.1
70.78697	14.2
71.05009	7.6
71.63967	5.1
74.13709	5.4
79.05489	31.8
81.07061	56.0
83.04988	8.5
86.09780	6.3
91.05485	21.3
93.07056	100.0
97.06543	13.9
99.04453	6.7
103.05502	9.2
105.07028	37.4
107.08601	55.1
109.06551	20.2
111.04480	5.4
111.08099	12.4
115.03934	10.4
117.07063	6.1
119.04994	9.1
119.08579	12.0
121.06508	32.2
121.10159	56.8
131.04935	11.4
131.08595	7.1
135.08107	29.1
135.11708	18.2
137.05986	46.4
139.11221	6.4
139.19923	5.2
145.10115	33.6
147.04431	13.3
149.09586	26.2
151.03934	36.3
153.05476	28.4
157.06581	6.1
163.07608	7.3
163.11195	59.7
167.07091	6.0
167.10710	31.9
169.08673	29.0
175.07573	6.0
179.07086	16.1
181.12247	16.2
189.09183	11.0
191.10655	57.3
207.38391	5.6
209.11789	17.1
227.12755	20.8
241.10712	6.0
295.15240	10.4
299.14893	48.7
341.13983	5.3
345.17426	5.9
359.07797	6.0
359.14880	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	359.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.2
55.01874	5.4
55.05513	17.4
56.64133	2.1
59.05006	2.1
61.21182	2.5
67.05515	8.8
69.03430	8.0
69.07073	8.8
70.69003	5.3
71.04982	6.4
79.05505	15.0
81.07079	13.4
83.04984	19.0
91.05487	14.9
93.07050	44.9
95.04982	4.2
95.08617	4.9
97.06557	4.5
99.04465	17.9
101.06020	2.9
105.07040	47.5
107.04971	4.0
107.08593	32.7
109.06549	3.4
109.10167	4.2
111.08115	4.8
117.07027	8.3
119.08585	18.6
121.06520	29.8
121.10159	46.5
129.06984	3.6
131.08611	11.4
133.10162	4.1
135.08047	23.1
135.11717	12.9
137.05963	2.8
142.07884	3.2
143.08582	3.9
145.10147	47.9
147.11700	8.6
149.09605	13.9
150.93152	2.6
159.08025	3.1
163.11201	83.8
171.11758	2.5
173.09639	7.9
181.12270	20.5
185.09636	5.9
189.07526	2.6
191.08929	5.4
191.10686	100.0
209.11749	28.1
213.09157	4.4
219.13855	2.8
227.12762	23.3
236.63434	2.3
277.14523	2.7
295.15552	3.6
323.14923	12.1
341.16049	5.4
359.18814	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	359.1703
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
51.34536	0.8
52.52650	0.9
53.03938	1.3
54.04869	0.9
55.05499	1.3
55.07821	0.8
57.03435	1.8
61.02924	1.4
67.05508	1.6
68.66666	0.9
69.03417	2.1
69.07081	1.0
69.36918	1.2
69.37320	5.7
69.47226	0.9
71.04973	1.5
79.05491	2.9
81.03411	1.1
81.07059	2.3
82.01263	0.9
83.45467	0.8
85.02914	9.0
86.09708	1.9
91.05468	3.9
93.07052	5.8
95.08613	1.8
96.45096	0.9
97.02887	2.5
103.05459	1.0
105.07058	6.4
107.07881	1.8
107.08605	33.3
109.06562	1.5
109.10150	1.8
112.40878	0.9
116.43296	0.8
119.04942	0.9
119.08586	6.2
121.06509	1.5
121.10159	7.7
123.08112	1.3
123.11698	1.1
125.85908	0.9
127.03933	1.4
133.09259	1.6
133.10146	18.8
135.11748	1.1
137.05959	2.4
139.07544	1.7
143.08562	1.2
149.09624	3.7
151.07516	1.1
151.11194	8.0
161.09647	5.0
167.10707	13.0
179.10684	19.8
197.11754	100.0
198.12079	2.3
262.75818	1.0
303.19028	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Loliolide beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.46694	3.0
53.03941	10.0
55.01864	8.2
55.05508	8.8
56.96565	2.9
57.03430	7.9
59.55012	2.8
61.02917	9.4
65.03912	4.0
67.05502	9.2
69.03428	17.5
70.06589	11.9
70.41036	6.4
70.41425	6.6
72.08153	38.1
73.02906	5.2
77.78947	3.1
79.05489	13.4
81.03426	21.0
81.07069	16.2
84.04522	16.0
84.08132	7.3
85.02910	46.4
86.09734	14.9
91.05463	18.7
92.80544	3.4
93.07049	15.5
95.04971	8.1
95.08627	8.6
96.04513	4.1
97.02896	16.0
99.04493	3.4
102.05533	6.3
103.05470	52.2
105.07045	18.6
107.08592	65.2
109.02866	6.2
109.06529	9.2
109.10156	15.8
117.06986	3.3
119.04967	6.7
119.08578	8.1
120.77418	2.9
121.06513	7.0
121.10128	3.9
123.11700	4.2
127.03913	10.8
129.06946	3.1
129.10201	5.2
130.05040	4.8
131.04936	76.4
131.08536	3.7
133.06508	4.5
133.10120	35.4
135.04405	4.1
135.11696	12.6
137.05983	27.0
137.09607	8.1
143.11769	4.4
145.04938	15.8
147.04405	6.0
148.06042	5.2
149.09587	4.6
151.03908	11.7
151.07536	5.8
151.11200	25.5
161.05936	4.3
161.09624	10.3
163.07574	26.4
175.07495	4.1
179.07005	7.4
179.10683	33.7
187.07602	5.1
189.09117	5.1
191.10657	3.4
194.12680	3.7
197.11736	100.0
197.13470	6.6
211.11028	3.0
212.13689	6.9
213.09186	3.8
217.08615	3.1
227.10677	3.8
251.14755	9.4
255.10231	5.2
269.15454	10.5
271.16901	5.3
299.16364	5.5
341.13943	3.7
359.11365	3.9
359.16516	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	359.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.9
53.16453	2.3
55.01867	5.7
55.05515	3.5
57.03114	2.3
57.03427	2.8
60.51110	2.7
64.06857	3.0
67.05535	2.3
69.03452	3.8
69.07073	6.0
70.06600	4.8
71.49098	2.4
79.05502	9.3
81.03415	3.0
81.07055	5.9
83.04995	3.6
85.02914	6.8
86.09705	29.2
91.05488	18.5
93.07064	6.4
95.04990	3.1
95.08610	5.1
103.05472	59.9
105.07040	9.5
107.04973	4.6
107.08620	7.1
109.06489	4.9
114.09145	3.1
115.05515	3.6
117.07088	4.9
119.04936	15.3
121.06520	6.4
121.10167	3.6
122.03642	5.0
127.03903	3.3
131.04939	100.0
133.10127	4.0
135.08101	4.0
137.05992	57.2
145.06465	4.4
145.10161	3.5
147.04440	13.5
149.05998	8.5
149.09570	2.7
151.03925	3.7
151.07613	7.2
159.08125	2.8
161.06010	17.4
162.06711	5.7
163.07532	31.1
165.09157	2.5
175.07590	14.4
179.07002	5.1
187.07558	8.8
193.08551	4.4
197.11755	4.4
200.14041	3.7
205.08641	4.5
219.08244	4.3
227.08566	8.4
228.13451	5.7
270.42999	2.4
279.10257	4.2
296.19974	2.8
297.11426	3.3
309.11288	4.2
359.12082	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	359.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.2
54.38065	2.8
55.01865	8.0
58.13490	2.8
64.03790	2.7
65.03965	3.4
66.49146	2.6
67.05505	5.5
69.03419	3.6
70.06599	3.1
72.08134	2.7
79.05491	6.1
81.03422	6.2
81.07069	5.5
84.04500	9.9
85.02923	7.0
86.09706	7.6
91.05483	10.4
93.07017	6.4
95.04981	8.0
95.08605	3.7
99.04487	3.4
103.05464	56.7
105.07033	8.1
107.08575	4.4
109.10087	4.5
119.04948	20.5
122.03600	4.6
129.10156	3.4
131.04933	100.0
137.05981	37.8
147.04446	15.8
149.06256	3.0
149.09653	3.8
151.03918	35.2
151.05005	4.1
151.07523	7.1
151.11160	5.9
157.65482	3.1
161.05997	8.7
163.07544	24.8
175.07555	12.4
179.07048	23.3
179.10497	3.2
187.07574	5.4
189.09055	3.5
194.12584	4.6
197.11836	4.4
211.59377	2.8
212.13573	4.6
215.10847	3.1
239.10686	3.1
251.14699	5.2
269.15399	10.3
299.16467	4.6
313.28662	2.6
327.00348	3.1
331.13220	3.6
340.13928	2.9
341.13956	3.2
346.86383	3.3
359.14642	10.3
359.18784	10.8
377.94785	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	359.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81733	6.3
53.03949	6.3
55.01876	12.0
55.05518	81.5
56.24767	5.9
67.05479	5.3
70.35246	18.8
79.05487	8.3
83.01353	10.8
83.04984	100.0
91.05488	14.3
93.07076	10.9
95.04971	19.9
107.05011	9.5
115.05416	10.2
117.06981	9.5
119.08598	8.1
121.06485	7.7
128.06227	24.2
129.07037	33.7
131.08589	13.1
141.07013	14.6
142.07835	40.9
143.08600	24.1
145.06506	8.9
146.94423	6.2
152.06219	14.5
153.06984	6.0
154.07762	6.5
155.08449	5.5
157.10172	20.6
159.08144	12.4
165.06969	12.2
167.08598	36.2
169.10213	8.4
170.07278	8.8
171.08060	13.5
184.70601	6.5
185.09659	41.3
187.07535	9.9
195.08096	27.6
213.09123	52.0
241.08530	31.6
259.09589	10.6
264.83804	5.8
329.41745	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	359.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.7
55.01880	4.1
55.05517	67.6
57.05936	1.9
66.00067	1.8
67.05512	4.3
79.05492	5.9
81.03416	2.7
81.07072	3.4
83.01325	5.0
83.04992	100.0
91.05483	13.7
93.07049	5.1
95.04995	13.0
98.20808	4.6
103.05502	3.5
105.07042	4.7
107.04961	4.4
115.05492	5.9
117.07021	6.6
119.08551	5.0
121.06490	3.5
123.04431	3.0
123.08086	2.3
128.06210	9.9
129.07051	14.6
131.04855	2.1
131.08563	7.4
135.04446	2.4
141.07008	9.7
142.07796	20.2
143.08536	6.8
145.06519	3.6
147.04398	3.9
152.06221	8.2
153.07050	3.0
154.07782	4.4
155.08542	5.0
157.06436	2.7
157.10170	10.0
159.04384	3.8
159.08009	9.7
161.06030	2.6
161.09656	2.3
165.07008	4.2
167.08583	12.7
169.06487	3.5
170.07257	5.5
171.08023	4.5
185.09653	21.1
187.07547	3.5
195.08105	8.8
199.07520	5.9
213.09091	23.6
214.36978	2.4
215.07019	2.2
228.94647	2.8
238.15529	2.4
241.08577	12.4
259.09659	7.6
335.39200	2.3
336.25089	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	359.1492
Annotation	15-Deoxybudlein A
Peak:m/z	Relative Intensity
51.26945	2.4
52.42388	2.4
53.03936	5.6
55.01862	4.2
55.05517	67.6
64.64288	2.2
65.03941	2.7
67.05497	9.2
69.03429	6.7
69.07066	4.9
69.79637	4.3
69.80054	9.9
70.25475	2.3
71.04978	2.4
79.05486	8.7
81.03417	4.2
81.07044	8.1
83.01340	3.4
83.04989	100.0
91.05489	15.7
93.07059	13.5
95.04978	12.0
95.08598	3.6
98.21401	4.3
105.07054	14.1
107.04974	5.7
107.08602	9.8
107.73721	2.3
109.02903	2.7
109.06490	2.9
109.10156	2.9
111.04425	5.5
111.08073	3.6
115.05453	5.2
117.07024	6.6
119.08575	8.2
120.43240	2.2
121.02860	2.7
121.06525	12.0
121.10148	6.4
123.08075	3.1
127.05415	2.3
128.06232	9.2
129.07019	14.5
131.04924	5.1
131.08556	8.6
133.10153	3.1
135.04413	3.7
135.08086	7.3
137.05949	4.2
141.07014	9.1
142.07780	16.3
143.08549	14.6
145.06464	6.1
145.10156	7.6
147.04359	2.8
147.08020	3.0
149.09634	3.2
151.03911	4.7
152.06213	6.2
153.06905	2.9
154.07785	3.2
155.08548	3.5
157.10130	8.5
159.04434	3.1
159.08081	12.4
159.11664	4.8
161.05913	2.7
161.09642	4.3
163.11169	7.9
167.08598	10.7
169.06493	3.7
169.10191	2.6
170.07277	4.2
171.08075	8.6
173.05997	3.0
173.09644	3.1
183.08060	2.7
185.09666	25.5
187.07573	5.7
187.11270	2.8
189.09103	3.9
191.10657	10.5
195.08014	9.7
198.06795	3.0
199.07545	6.7
203.10718	4.1
213.09148	22.3
215.07043	3.2
215.10776	2.8
231.10161	6.5
235.68774	2.3
241.08611	11.9
259.09732	15.2
359.14868	6.4
369.74448	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76348	3.9
52.82819	4.0
53.03924	6.9
54.63060	4.4
55.01863	7.6
55.05515	53.3
64.69198	5.0
65.54675	5.1
67.05505	10.8
70.36022	19.0
79.05489	11.9
81.07024	5.3
83.01350	7.5
83.04984	100.0
91.05488	21.4
93.07058	10.2
95.04987	26.3
105.07050	11.5
107.04967	8.7
107.08644	5.6
109.02912	6.4
115.05426	11.9
117.07027	14.8
119.08596	13.2
121.06484	7.5
128.06239	16.8
129.06979	25.4
131.04826	5.2
131.08592	12.5
141.06990	14.0
142.07814	32.9
143.08565	20.1
145.06467	6.6
151.03934	4.5
152.06213	17.7
153.06998	5.9
154.07767	7.2
155.08569	7.9
157.06516	6.1
157.10138	21.4
159.08086	15.2
165.06937	7.9
167.08554	32.2
169.06500	8.2
169.10114	6.6
170.07277	7.8
171.08081	15.1
185.09613	44.5
195.08087	15.7
199.07532	5.4
203.10817	6.0
213.09113	55.5
223.07579	8.3
231.10216	8.8
241.08565	36.2
259.09662	14.8
341.17389	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	359.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	14.2
55.05516	9.3
59.94773	7.5
60.66154	7.1
62.85777	7.1
67.05482	11.7
69.03427	10.6
70.02736	29.3
70.06586	21.8
72.08159	60.1
73.02927	8.1
76.70283	6.7
78.44934	7.7
79.05520	10.6
81.07054	9.9
83.04998	11.0
83.06100	26.2
84.04519	38.5
84.08132	13.7
85.02901	17.7
86.09711	94.3
87.35100	7.6
91.05473	20.5
93.07073	8.5
93.94543	7.3
95.04987	11.7
95.08641	8.3
97.02884	11.4
97.06524	15.2
101.07128	8.9
103.05456	22.5
104.80495	7.4
105.07044	11.9
115.38012	8.7
118.08688	16.0
119.04939	15.8
121.06543	8.5
123.08062	7.7
125.06015	14.9
129.06996	10.3
129.10265	13.6
131.04953	40.5
132.10217	20.8
137.05995	100.0
147.04449	17.5
149.09665	8.9
151.03925	52.2
151.04984	16.4
151.07558	14.7
163.07585	25.8
164.67247	7.5
165.05525	9.8
175.07574	27.8
179.07033	31.3
182.12917	28.3
183.11250	17.2
187.07565	22.5
189.09061	15.2
190.78397	7.3
191.08566	9.2
196.14380	7.9
196.51740	7.3
197.08090	20.6
197.12833	8.5
200.13937	15.3
263.10739	10.4
265.08807	10.1
291.10364	16.6
299.12778	12.0
307.84863	7.2
311.12738	19.1
323.12943	11.7
335.63779	7.5
341.13882	31.3
341.21542	9.8
359.15558	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.149
Annotation	(-)-Lychnopholide
Peak:m/z	Relative Intensity
51.20784	1.5
53.03941	5.5
55.01866	2.2
55.05513	80.4
57.03431	2.4
65.03931	2.9
67.01851	3.6
67.05494	5.8
69.03429	2.8
69.65868	7.7
71.41351	1.7
79.05486	8.5
81.03444	1.9
81.07038	4.1
83.01314	4.1
83.04984	100.0
85.02862	1.6
88.93364	1.4
90.79971	1.4
91.05479	16.1
93.03410	2.1
93.07033	7.0
95.04967	8.2
95.08596	1.7
97.06520	2.7
99.04417	1.8
103.05436	2.8
105.03416	1.5
105.07021	8.4
107.04964	7.3
107.08573	4.0
109.06531	1.5
115.05429	5.0
117.07036	9.4
117.27615	1.5
119.04939	3.0
119.08567	5.4
121.02879	1.8
121.06513	7.3
121.10131	2.5
127.12043	1.4
128.06229	11.4
129.06978	15.0
131.04886	2.9
131.08577	9.0
133.06451	2.7
135.04425	2.1
135.08052	2.1
137.05995	3.7
141.06987	11.6
142.07773	19.4
143.08551	11.6
144.05783	1.8
145.02858	2.7
145.06503	8.9
145.10056	1.9
147.07967	2.6
147.11713	1.9
149.05936	3.2
152.06197	5.8
153.06985	4.9
154.07774	4.7
155.05006	1.7
155.08514	4.4
157.06551	2.5
157.10136	10.8
159.08049	8.5
161.06017	4.1
161.09567	1.8
163.03923	1.8
165.06941	4.7
167.08588	14.9
169.06493	4.3
169.10115	3.3
170.07263	4.4
171.08096	10.8
173.06021	1.9
173.09512	2.0
174.67004	1.7
175.07516	2.5
175.11241	1.6
181.06467	1.9
183.08092	2.3
185.09612	22.4
187.07484	8.4
187.11125	2.8
189.09064	2.1
195.08049	8.3
197.09645	2.0
198.06735	2.8
199.07533	4.2
203.10709	2.4
213.09129	24.4
214.65561	1.7
215.06995	2.6
217.08627	3.1
231.10210	5.6
241.08568	10.9
259.09644	21.8
295.13437	2.0
341.13855	2.7
359.14761	5.0
359.18658	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	359.1127
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
52.57568	0.6
53.03936	0.8
53.50830	0.7
55.01865	1.6
55.05512	12.8
61.54132	0.6
67.05496	1.2
69.07066	0.8
70.12739	2.3
70.13116	1.4
74.26864	0.6
75.67296	0.6
79.05519	1.7
81.03411	1.3
83.01339	1.4
83.04990	17.3
85.09785	0.6
91.05477	2.6
93.07055	1.4
95.04970	1.8
95.08626	1.0
98.20861	0.9
105.07037	2.4
107.04918	1.2
107.08572	1.1
113.02398	0.9
115.05444	1.5
117.07048	1.5
119.08606	1.3
123.04435	0.8
127.11214	0.8
128.06224	1.4
129.07018	2.7
131.08580	1.4
133.06482	8.0
135.04448	5.7
141.07033	1.1
142.07750	2.5
143.08557	2.7
143.12489	0.7
145.06485	1.0
145.10103	0.9
147.04343	0.9
152.06181	1.4
153.07054	0.9
154.01353	0.6
155.08591	0.9
155.70737	0.7
157.06438	0.9
157.10127	2.1
159.08076	2.3
161.09564	0.9
163.07513	1.3
165.51953	0.7
167.08595	2.1
169.01341	8.7
169.06493	0.9
170.07361	1.1
171.08121	1.3
173.09688	0.9
174.06836	0.9
178.99728	0.7
183.08043	1.0
185.09634	3.6
187.07591	0.9
187.11168	0.8
195.08015	2.0
197.00816	14.7
199.07547	1.3
201.05666	0.7
211.11218	1.1
213.09096	5.6
214.06367	1.5
215.01854	4.8
215.07060	1.0
217.08566	1.1
239.10617	1.1
241.08653	2.7
241.12282	0.8
247.09825	0.8
259.09595	1.6
261.11380	0.8
271.13055	0.8
283.06091	2.7
285.11252	4.5
286.04776	5.0
295.17087	1.0
297.07571	1.8
298.08395	3.5
301.07169	3.7
311.05518	26.1
313.06982	1.2
314.04282	2.3
325.07162	1.5
326.07874	4.8
329.06558	66.5
330.07098	1.6
341.17422	4.3
344.08923	7.0
359.11279	100.0
360.11545	2.5
378.66577	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47125	0.7
54.22423	0.7
55.05508	1.8
56.32862	0.7
56.96554	1.0
57.03430	1.5
67.05503	1.0
71.08636	6.6
71.49987	1.0
72.08141	0.8
74.52219	0.7
78.76046	0.8
79.05466	1.2
79.52245	0.7
79.86879	0.7
81.07053	3.3
83.05017	0.9
84.08147	1.2
85.02905	13.3
86.06062	4.5
93.07043	2.1
94.14653	0.8
95.08613	1.7
96.08132	3.2
98.06058	0.9
98.09705	2.1
99.04421	1.3
99.08116	1.6
101.31163	0.7
105.07009	1.5
107.08581	1.3
108.08109	1.7
110.09658	0.8
113.08382	0.9
116.10739	17.1
119.08530	0.7
122.09672	2.0
136.11172	0.8
137.05939	1.0
142.13847	0.7
143.10667	1.6
145.04987	4.5
154.15912	3.5
162.96640	0.7
164.14262	1.0
166.15852	4.2
178.15919	2.9
191.10837	0.8
196.16986	7.5
196.88397	0.7
209.70016	0.9
214.18030	100.0
215.18361	1.9
335.07986	0.8
358.22144	1.4
363.35016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2377
Annotation	Spiradine G
Peak:m/z	Relative Intensity
51.07258	0.4
51.49300	0.4
55.05502	1.5
56.05023	0.8
58.06589	2.4
60.04514	1.5
64.39027	0.4
67.05496	1.8
69.07060	1.6
69.65208	1.3
69.65615	0.9
70.06596	1.0
76.77351	0.4
79.05504	2.1
81.07060	3.4
83.04973	0.5
83.08617	0.6
88.07637	1.8
91.05476	3.0
93.07044	4.7
94.06564	0.6
95.08608	4.0
96.08118	3.0
97.10196	0.4
100.07601	0.9
105.07034	6.3
107.08592	5.6
108.08185	0.4
109.10140	2.8
113.39397	0.4
117.07000	2.0
119.08576	2.9
121.10148	7.5
123.11743	0.7
129.07021	1.3
130.07793	0.6
131.08571	6.6
133.10114	2.6
135.11674	1.1
138.09140	0.6
142.07848	0.4
143.08545	3.4
145.10127	7.1
147.11690	3.7
148.11232	0.7
149.13264	0.4
149.90240	0.5
150.12721	0.5
153.06923	0.5
155.08528	2.9
157.10126	4.2
159.11702	3.7
161.13264	1.6
162.12801	0.9
163.14731	0.5
164.24057	0.4
169.10135	4.4
171.11699	7.1
173.13223	2.6
182.10905	0.5
183.11676	3.3
185.13260	1.6
193.12282	0.5
197.13257	8.7
199.14832	1.3
202.12282	0.6
204.13826	0.6
211.14839	2.7
213.16397	1.7
217.12244	0.8
221.13005	0.4
225.16344	4.3
230.15442	1.2
230.85771	0.4
238.17099	0.5
243.13846	0.8
253.19531	17.0
254.20055	0.5
255.21037	2.4
263.18134	0.6
270.19266	0.4
270.22180	1.8
271.16922	1.4
281.19000	1.5
298.21683	0.8
299.20013	7.4
310.34616	1.6
312.23190	4.5
316.22806	3.9
340.22754	1.0
358.23764	100.0
358.36380	5.6
359.24020	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	358.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.3
57.03422	1.1
59.71519	0.6
62.06086	1.0
67.05507	1.3
69.07053	1.2
70.21069	1.3
70.21464	1.5
71.08636	8.1
72.08154	1.4
74.91648	0.7
77.83406	0.6
79.05515	1.4
81.07044	2.6
83.04945	0.7
84.04508	1.0
84.08150	1.9
85.02917	14.2
85.03411	0.5
86.06065	4.5
91.05443	0.7
93.07043	1.0
95.08611	1.8
96.08119	2.6
98.06042	1.7
98.09692	2.8
99.04494	1.1
99.08128	3.8
105.07031	1.4
107.08585	1.0
108.08116	2.4
113.08378	0.8
116.10744	17.9
121.06471	0.7
122.09673	1.5
126.09168	0.9
136.11266	0.9
137.05965	1.0
140.10716	0.8
143.10672	1.3
145.04936	4.9
145.10132	0.9
154.15898	3.9
163.11165	1.7
164.14336	1.1
166.15910	3.1
168.17473	1.2
176.07874	0.7
178.15942	2.0
191.10539	0.7
196.16997	7.7
214.18039	100.0
215.18298	1.1
278.85672	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35685	0.4
53.03954	1.1
55.01875	0.7
55.05512	1.1
55.69485	0.4
56.96569	0.3
64.07125	0.5
65.03943	0.9
67.05511	4.4
68.32803	0.4
68.99811	0.4
69.03446	2.0
69.07079	2.4
71.04991	0.7
78.81707	0.4
79.05494	3.7
81.03421	1.4
81.07059	10.6
83.04989	0.4
84.08148	0.6
85.02892	0.6
86.39681	0.4
87.04470	0.5
91.05477	2.6
93.07058	2.4
94.04205	2.0
95.04974	2.2
95.08630	1.9
97.06538	1.5
98.64938	0.4
99.04449	0.7
102.27339	0.4
105.07030	2.7
107.04961	1.0
107.08598	6.6
109.02872	1.0
109.06520	3.0
109.09458	0.8
109.10167	8.5
111.04467	0.7
111.08052	0.5
112.78464	0.4
115.03909	0.5
115.05431	2.1
117.07030	1.3
119.08579	1.1
121.06514	1.8
121.10156	1.5
122.03658	6.3
123.04424	0.6
123.08096	1.1
123.11729	0.5
125.06000	0.4
127.03917	0.8
131.04921	0.8
133.10132	1.0
135.11671	3.5
137.05986	100.0
137.09615	14.0
138.06358	1.2
138.66325	0.4
139.11189	2.3
143.04933	6.6
145.06552	0.6
145.10136	1.7
147.08038	0.7
149.09648	0.5
151.02753	0.8
151.03918	12.5
151.04999	0.8
151.07542	0.7
151.11192	1.6
153.12758	0.9
155.10719	0.7
161.05896	0.9
161.09625	2.1
163.11208	4.9
165.09128	10.0
167.07040	0.7
174.86035	0.5
175.07555	2.2
177.09100	0.8
179.10677	11.4
181.12242	4.7
183.10150	0.6
189.09099	1.1
191.07101	0.5
201.11272	1.1
203.07021	2.4
205.08615	3.3
207.10141	4.1
219.08136	0.5
221.06084	0.4
225.11263	5.1
236.08252	0.4
269.13913	0.4
277.08551	0.6
279.10071	0.5
293.13782	1.7
307.09665	0.9
309.11313	0.5
311.15027	2.4
325.10651	1.5
327.12317	11.6
339.14703	2.0
347.94299	0.4
357.13315	21.4
358.13901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04361	3.7
53.03932	3.8
56.96560	5.4
60.28730	3.1
69.48479	15.1
69.48882	8.4
70.06607	23.4
71.06921	3.8
72.08164	5.7
73.97251	3.3
76.45811	3.1
84.04498	4.8
84.08145	15.8
85.02894	4.8
85.08462	3.6
86.09699	6.4
88.29852	3.1
88.70679	2.9
94.82169	3.0
98.97569	4.9
101.58549	4.7
144.27484	3.4
151.24908	3.6
196.03726	5.8
196.06007	4.7
196.13309	4.7
286.81412	3.8
342.35138	3.6
357.24692	8.4
358.09070	100.0
358.13419	6.0
358.25290	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	358.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.4
55.05509	15.8
56.05030	7.4
57.03436	6.6
67.05511	19.5
68.05019	3.8
69.03420	4.8
69.07058	8.5
70.06586	7.9
71.04997	4.4
71.50268	2.2
72.04501	1.9
72.08137	2.7
74.06065	7.1
79.05500	30.0
80.05009	4.3
81.03424	51.8
81.07059	29.3
81.63001	1.8
82.06592	14.1
83.04979	21.0
83.08624	18.4
84.04509	100.0
84.08124	2.4
85.02909	24.8
85.06561	2.1
86.06081	4.1
86.09712	3.0
87.04465	5.2
91.05489	29.2
93.07051	22.6
94.06569	4.0
95.04972	19.3
95.08609	14.0
95.41463	1.6
96.04504	16.8
96.08125	2.9
97.02866	2.2
97.06529	6.0
97.10178	4.0
98.06062	3.4
102.05553	31.0
103.05464	3.7
105.07031	22.8
106.06580	2.3
107.04956	5.2
107.08587	12.8
109.06504	5.1
109.10162	3.2
110.06045	6.3
111.08070	8.5
112.03964	2.2
112.07586	3.6
114.05547	3.6
115.05408	4.0
117.07016	2.6
119.04953	3.3
119.08561	12.5
120.04449	1.9
120.08126	4.0
121.10142	13.1
123.08118	2.3
124.03953	4.1
124.07582	3.9
125.09667	3.0
128.07104	3.2
129.07013	7.7
130.05008	50.3
131.04919	5.3
131.08574	13.4
133.06506	2.9
133.10121	11.6
135.11662	2.5
137.05969	3.8
137.09648	2.2
138.05484	2.5
139.11119	2.0
140.07034	3.3
147.08093	3.6
147.11681	10.1
148.06041	42.7
149.09630	37.4
151.11212	3.0
152.07008	3.1
156.06558	3.1
157.10130	13.7
161.06004	4.4
163.11134	8.4
165.12753	1.9
166.12297	2.1
167.10687	4.8
168.06520	2.4
175.11211	18.7
182.15434	2.3
183.12656	1.8
184.13353	6.3
193.12245	62.5
194.05348	2.4
194.15414	6.4
197.11714	5.9
200.16531	2.4
202.07178	5.2
202.14493	1.9
204.13831	5.8
210.14940	7.3
211.13300	91.2
222.14798	10.5
228.15916	2.1
248.16409	3.7
250.03517	1.8
250.14365	49.9
268.15503	9.9
276.15970	8.5
278.13977	1.7
286.16492	22.7
294.16986	6.1
304.15201	2.2
312.17990	10.2
314.15955	32.7
322.16522	3.8
330.19147	2.7
340.17249	3.1
358.14133	2.0
358.18573	36.3
358.25287	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	357.1334
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
55.01876	22.2
56.69236	2.1
65.03942	3.7
67.69463	2.5
68.99798	2.2
69.03432	3.2
70.06597	3.4
71.50549	2.5
75.14834	2.0
75.63631	2.1
79.05500	6.5
81.07059	4.7
84.62856	2.2
85.02885	3.9
86.09727	3.0
89.03899	3.3
91.05476	18.3
93.03403	7.1
93.07034	3.9
94.04157	2.6
95.04965	4.4
99.04472	3.4
103.05474	6.4
105.03363	2.4
105.07036	8.8
105.45919	2.2
105.63270	2.5
107.04959	6.4
109.06516	5.6
109.10185	2.5
109.91267	2.0
111.04424	3.9
115.05478	12.7
117.03369	5.3
119.04945	8.0
119.08575	3.1
121.06507	7.0
122.03668	11.2
124.07584	2.6
125.05996	5.5
125.09537	3.3
128.06281	2.7
130.04175	2.9
131.04935	10.1
132.05678	2.8
133.06517	6.0
134.79909	2.1
135.04442	4.0
137.05983	100.0
142.08667	2.7
143.04926	8.2
144.05685	4.2
145.02800	4.6
145.06511	5.5
146.03618	4.0
147.04443	14.7
149.06015	13.0
149.82695	2.3
151.03909	4.7
151.11183	3.7
153.05486	4.4
155.04895	9.7
159.04408	2.8
160.05229	4.4
161.05984	16.8
161.09569	2.6
162.06784	3.8
163.52362	2.2
165.05511	12.3
165.06779	3.1
165.09138	2.3
171.04352	4.8
172.03918	4.3
172.05219	8.5
173.05922	3.4
175.07471	10.8
176.78172	2.4
177.05479	30.5
178.07837	2.9
179.07068	10.4
179.08455	4.2
181.06519	2.6
183.04475	4.9
185.05991	21.6
187.07565	5.0
188.04759	2.8
189.07050	6.5
189.09372	3.2
190.07820	5.5
191.08594	9.2
194.07323	2.8
200.04665	5.5
202.07722	2.7
203.07037	59.6
203.08424	2.3
204.06537	11.3
205.06549	3.1
206.07285	2.9
207.08066	7.4
210.06802	2.9
212.16426	4.4
213.16843	9.5
215.07027	38.1
217.06535	4.7
218.07272	8.3
219.08092	14.9
221.06001	4.7
222.06726	2.6
229.06378	3.6
233.06039	2.8
233.08110	4.7
234.06801	12.0
235.07529	12.6
236.08189	3.8
237.09126	3.5
242.44112	2.0
246.06779	7.2
247.07611	15.2
248.08376	3.5
249.05621	2.0
249.09117	14.2
251.06978	5.0
253.08730	2.8
257.05917	2.5
261.09174	6.9
262.06287	8.7
263.07031	6.5
264.07907	7.0
265.08658	6.5
267.10150	8.4
274.06445	3.0
275.07013	3.7
277.08585	24.4
278.09158	2.6
279.06790	3.1
279.10181	8.5
289.08606	9.4
290.09296	2.4
294.08951	7.1
295.09589	6.7
296.10562	2.5
306.08884	2.5
307.09619	18.5
309.11255	27.9
309.60202	2.2
311.12592	2.8
321.11209	13.0
327.12311	21.6
339.12393	9.5
357.13385	48.2
357.20432	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1333
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
50.91214	1.7
55.01874	19.5
65.03934	4.8
66.04723	1.7
66.91974	1.6
69.03431	2.8
69.07058	1.8
69.38792	12.3
79.05479	6.1
81.03460	2.2
81.07054	5.4
85.74032	1.7
87.95908	1.7
89.03915	2.5
91.05478	10.7
93.03390	4.1
93.07048	3.7
94.04202	7.1
95.08631	2.2
103.05463	7.2
105.07040	6.5
105.83176	1.6
107.04965	3.7
109.02868	3.4
109.06521	6.0
109.31098	1.4
111.04428	4.8
112.28556	1.5
115.05452	8.2
117.03395	3.8
119.08566	1.8
121.06499	2.4
122.03643	18.3
123.04439	2.6
125.05990	4.7
130.04198	1.9
131.04913	6.9
133.06535	2.9
134.03555	1.9
135.04393	2.0
137.05983	100.0
138.48514	1.6
143.04926	5.8
143.08580	1.6
144.05698	3.0
145.02930	1.8
145.06503	2.1
146.03600	7.0
147.04422	3.7
147.11620	1.9
149.06006	4.5
151.03888	4.8
153.05461	5.2
155.04941	4.9
160.05229	2.2
161.05983	25.8
162.06744	5.4
165.05511	37.1
165.06967	5.6
171.04404	2.7
175.07591	6.4
177.05484	11.6
177.06876	3.6
178.07820	4.6
179.08563	4.3
181.06522	2.2
183.04399	1.8
185.05931	3.3
187.07530	5.7
189.05507	3.2
189.07056	8.2
190.07805	8.6
191.07082	2.5
191.08578	16.4
194.07286	2.6
195.08008	2.7
201.06898	2.2
202.07788	4.9
203.07004	6.8
203.08676	4.2
205.06506	7.0
206.07323	4.9
207.08119	10.1
208.08842	4.7
209.05971	2.3
211.07396	2.3
214.18022	4.6
215.07008	14.2
217.06439	4.1
218.07324	24.6
219.08073	32.3
220.08830	2.1
221.05945	6.9
222.06691	2.7
223.07622	2.6
224.08351	2.2
229.06306	8.6
230.07170	2.5
231.08159	3.1
233.05934	3.0
233.09760	2.8
234.06700	8.7
235.07587	18.0
236.08281	9.1
237.05370	2.9
237.09032	2.9
245.06073	2.5
246.06769	22.8
246.09079	3.0
247.07536	31.3
248.08354	7.8
249.09172	12.8
250.06206	2.3
250.09836	3.2
251.07069	5.4
251.10675	5.1
252.07820	2.7
253.08624	2.4
257.05978	9.7
258.06610	4.8
259.07666	4.2
260.08444	2.0
261.09134	31.3
262.06241	4.5
263.07034	25.1
264.07919	17.4
265.08615	7.0
266.09363	2.3
267.10211	6.2
269.08154	2.2
273.05533	1.9
274.06317	17.4
275.07004	15.9
276.07761	4.1
277.08649	22.9
278.09341	8.6
279.06918	2.7
279.10168	19.5
289.08582	43.6
290.09174	8.2
291.06613	6.1
292.07251	6.0
293.08130	2.4
293.11575	2.1
294.08984	9.6
295.09778	8.6
296.10464	2.2
305.08240	2.4
306.08810	10.6
307.09647	91.6
308.10220	5.2
309.07791	4.1
309.11124	16.7
311.12775	3.1
311.67438	1.8
321.11240	59.1
324.09900	2.9
327.12357	22.8
339.12241	29.0
357.13342	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	357.1334
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
52.41545	1.7
53.03947	3.0
55.01876	13.5
55.05513	9.0
65.03938	4.9
65.51561	1.4
66.04752	1.7
67.05491	4.3
69.03420	3.8
71.05015	1.8
71.50887	1.8
71.51299	2.5
79.05498	7.6
81.03423	2.7
81.07049	7.1
83.04994	11.6
85.02900	2.0
86.09711	2.0
89.03926	2.3
91.05466	7.6
91.22443	1.7
93.03379	2.9
93.07037	5.6
94.04180	7.1
95.04955	4.6
95.08623	2.8
97.02891	2.1
97.06507	2.2
103.05450	4.6
105.07029	9.8
107.04942	5.3
107.08607	3.2
109.06512	4.3
109.10136	3.2
111.04439	4.1
115.05463	9.9
117.03377	3.1
117.07019	4.3
119.04987	2.3
119.08579	4.8
121.02831	1.8
121.06495	4.7
121.10106	1.7
122.03652	12.3
125.05984	6.2
127.03910	1.6
129.06998	2.8
130.04137	2.3
131.04924	7.0
131.08560	1.9
133.06505	3.9
133.10143	3.3
135.04370	2.2
135.08099	1.9
137.05978	100.0
137.09636	3.6
141.06941	1.8
143.04951	4.6
144.05739	1.9
145.06488	1.9
146.03621	4.4
147.04390	6.5
149.06094	3.7
150.06798	2.7
151.03902	23.7
151.04990	3.6
153.05504	4.8
155.04898	6.5
159.08038	2.0
160.05246	4.0
161.05968	20.0
162.06740	3.5
163.07513	2.5
165.05481	23.8
165.06979	5.6
165.09149	2.9
167.07150	2.9
167.08511	2.3
171.04417	2.5
172.05183	3.0
175.07529	9.5
177.05472	8.1
177.09116	2.3
178.07701	2.8
179.07147	2.3
179.08574	4.8
179.10692	2.2
182.07321	2.1
183.04422	2.1
187.07542	6.5
189.07016	9.7
189.09012	2.3
190.07744	9.9
191.07050	2.6
191.08568	10.5
192.09282	1.7
195.08130	3.0
200.04588	2.0
201.07065	2.0
202.07690	4.0
203.07050	12.1
205.06416	4.7
205.10144	1.7
206.07278	2.8
207.08133	10.7
208.08852	5.3
209.06078	2.0
215.06963	7.7
217.06580	2.8
218.07246	16.8
219.08057	24.9
220.08855	3.4
221.05966	3.7
222.06775	2.4
223.07729	3.2
225.09052	2.1
229.06581	5.5
231.08047	3.3
233.09695	2.5
234.06720	10.0
235.07535	11.6
235.13327	2.3
236.08315	8.3
237.09061	2.1
238.06131	1.9
239.06946	2.2
245.05898	3.4
246.06790	12.4
247.07541	24.6
248.08304	5.9
249.05522	4.7
249.09125	10.3
250.06293	2.2
250.09862	1.7
251.06987	5.3
251.10648	3.4
252.07794	2.5
253.08401	2.2
257.05969	6.5
259.07510	3.4
261.09152	17.8
262.06253	5.5
263.07013	12.5
264.07831	13.5
265.08557	6.2
267.10202	3.1
274.06290	8.8
275.07120	12.1
276.07666	2.7
277.08569	15.5
278.09363	6.3
279.06955	2.9
279.10135	15.0
281.08215	3.3
281.11517	2.2
289.08600	22.5
290.09335	2.7
291.06433	3.1
292.07236	4.0
293.11566	2.3
294.08804	4.7
295.09613	5.6
297.11133	2.0
306.08795	5.0
307.09637	68.7
308.10379	4.8
309.07559	2.5
309.11179	14.3
311.12869	3.9
321.11203	35.0
324.09903	2.4
325.10638	2.8
325.14249	2.6
327.12222	25.1
339.12244	27.0
357.13324	17.3
357.17874	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	357.1335
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
55.01872	1.0
55.05508	0.6
65.03945	0.8
67.05499	1.2
69.03429	0.8
70.84517	0.6
70.84851	0.6
79.05492	1.2
81.03415	1.1
81.07064	1.1
81.08369	0.4
85.02903	1.0
86.09683	0.4
91.05481	2.0
93.03413	0.4
93.07034	0.7
94.04195	2.3
95.04975	0.6
97.02891	0.6
97.06560	0.4
103.05457	0.4
105.07031	0.6
107.04951	0.7
107.08623	0.9
108.02103	0.7
109.02898	0.5
109.06499	0.6
109.10161	0.5
111.04456	0.6
115.05482	1.5
117.07016	1.2
122.03650	7.7
123.11697	0.4
125.84710	0.4
131.04959	0.8
131.92097	0.4
132.05727	0.4
135.04475	0.6
136.07573	0.6
137.05986	100.0
138.06339	1.3
143.04935	6.0
145.06494	0.5
146.03639	0.8
149.05991	0.7
151.03923	20.8
151.05037	2.1
153.05505	0.6
157.06540	0.5
161.06013	1.2
161.09572	0.5
163.03960	0.8
163.07550	0.6
165.05479	0.9
165.09164	0.5
166.06276	0.5
172.03934	0.5
175.07559	2.6
177.05524	0.9
177.09238	0.4
178.06306	0.8
187.07590	0.6
189.09111	0.8
203.07018	3.2
204.06615	1.5
205.08595	3.5
215.07053	1.2
219.08112	0.7
220.71632	0.4
229.12279	1.0
235.07602	0.5
241.08635	0.4
247.07393	0.8
255.10136	0.4
256.73532	0.4
259.09750	0.4
263.07037	0.6
264.07907	0.6
265.08414	0.5
277.08725	0.7
279.10178	1.0
299.12799	1.1
307.09656	1.6
311.12653	0.7
321.11258	0.8
327.12338	10.9
327.15796	0.5
339.12317	1.2
339.16058	0.5
357.13345	20.8
357.16824	1.0
358.13889	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1334
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
55.01877	16.5
55.05491	1.6
65.03939	4.4
67.05486	3.9
67.75377	1.8
69.03439	2.3
69.07093	2.2
69.63096	3.4
69.63490	9.8
79.05488	6.2
81.07059	12.2
84.08144	2.2
91.05468	10.0
93.03391	5.5
93.07051	8.1
94.04173	7.1
95.04961	6.0
95.08624	3.5
97.06527	2.2
98.20861	2.1
103.05472	6.6
105.07013	8.1
106.47056	1.9
107.04956	3.4
107.08591	3.3
109.06507	6.6
109.10168	2.3
111.04483	2.9
111.08065	8.0
115.05444	9.1
117.03359	3.1
117.07011	3.2
119.08581	7.6
121.06520	5.6
122.03650	14.9
123.11710	3.9
125.05979	6.3
129.05478	10.3
131.04951	7.5
133.06531	3.8
133.10106	2.6
135.04405	1.8
137.05984	100.0
137.09604	2.0
143.04921	6.8
144.05635	3.6
145.02843	4.0
145.06496	2.1
146.03645	3.7
147.04440	4.0
147.08051	3.4
147.11688	3.5
149.05988	6.1
150.06711	2.5
151.03935	4.5
151.07611	2.3
151.11209	2.2
153.05461	2.9
155.04901	5.7
160.05196	4.0
161.05975	16.9
162.06772	3.3
165.05490	25.7
165.06949	5.1
165.12726	2.4
167.07039	1.7
169.12212	10.9
171.04379	3.7
172.05231	2.6
173.05936	2.0
175.07585	5.8
175.11192	2.3
177.05513	13.4
178.07747	2.0
179.08517	4.6
181.06488	2.7
183.04457	3.2
185.06076	4.4
187.07562	6.9
189.05385	1.7
189.07042	7.5
190.07745	9.9
191.07022	3.7
191.08580	12.7
193.12320	2.9
194.07216	2.3
195.07927	2.5
200.04610	2.9
201.07025	2.7
202.07764	2.4
203.06985	13.3
203.08604	2.0
205.06487	5.4
206.07274	4.0
207.08032	8.6
208.08940	2.5
211.13301	9.6
215.07062	12.9
217.06584	4.0
218.07277	18.7
219.08058	25.7
220.08817	4.4
221.05956	6.2
222.06824	3.0
223.07539	5.0
224.08188	2.0
229.06555	7.3
231.08093	4.1
233.05966	2.9
234.06789	10.8
235.07533	19.6
236.08183	9.0
237.09076	3.0
245.05966	2.7
246.06749	13.3
247.07521	27.2
248.08337	4.3
249.05293	2.7
249.09113	11.9
251.07117	4.2
251.10713	5.2
252.07677	2.4
253.08553	2.1
257.05966	6.7
259.07544	4.3
261.09128	27.9
262.06284	5.4
262.09201	1.9
263.07053	14.6
264.07877	13.0
265.05600	1.9
265.08517	8.0
267.10150	3.5
274.06235	13.0
275.06976	10.5
277.08627	20.7
278.09341	6.2
279.06873	3.5
279.10196	14.2
284.10535	2.2
289.08594	32.8
290.09360	6.3
291.06439	6.3
292.07257	3.6
293.11636	3.3
294.08783	6.2
295.09680	6.8
306.08804	8.0
307.09656	67.0
308.10083	2.6
309.07758	3.3
309.11124	16.4
311.12701	3.2
321.11209	42.4
324.09732	1.9
325.10657	1.9
327.12274	16.7
339.12274	26.1
357.13452	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	356.3525
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
53.03939	0.5
55.05519	10.1
56.05029	0.3
57.07083	1.5
58.06598	0.9
60.04522	0.3
62.06082	0.6
67.05479	0.6
69.07074	8.1
69.29675	2.5
70.06599	13.9
71.08644	0.5
74.06088	0.5
81.07057	0.4
83.08636	3.4
86.17154	0.3
88.07638	17.1
97.10181	1.8
102.09193	4.3
106.08678	8.8
119.54378	0.3
150.81569	0.3
172.62839	0.3
277.57361	0.3
326.88251	0.4
338.34207	7.0
356.35251	100.0
357.35663	3.6
372.78381	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1334
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
51.02371	0.4
53.03935	0.5
55.01876	0.5
59.15242	0.4
65.03927	0.6
67.05511	0.9
70.06610	0.5
70.54233	0.5
70.54556	0.7
79.05490	1.2
81.03425	1.1
81.07063	0.7
85.02892	0.8
90.20287	0.4
91.05489	1.3
93.07059	0.7
94.04170	2.6
95.08632	0.5
98.21472	0.4
101.66846	0.4
105.07067	0.4
107.04949	0.8
108.02108	0.4
109.02847	0.5
109.06523	1.1
115.05463	1.5
117.07016	1.0
121.10125	0.4
122.03656	8.0
129.07004	0.4
137.05984	100.0
138.06310	1.4
141.05493	0.5
143.04929	5.7
147.08087	0.4
149.06017	0.6
151.03917	19.9
151.05031	1.9
151.11234	1.0
157.06464	0.5
161.06012	0.4
165.05560	0.9
167.07018	0.4
172.03986	0.5
175.07584	2.4
177.05403	0.4
189.09203	0.5
198.01836	0.4
203.07016	2.0
204.06557	1.7
205.06920	0.5
205.08563	2.5
214.06377	0.4
217.12196	0.4
225.23409	0.4
235.13254	0.4
236.08360	0.5
267.10132	0.5
277.08643	0.4
307.09680	0.5
321.11169	0.8
327.12289	10.3
339.12119	1.2
357.13336	18.0
358.13550	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2844
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03948	3.2
55.05313	2.4
55.05518	30.3
57.03424	8.9
57.07077	16.4
67.05511	83.8
69.07076	38.5
69.26811	27.5
71.05000	5.2
71.08641	6.0
71.27196	2.4
75.87006	2.5
79.05506	30.4
81.06591	5.1
81.07065	100.0
83.05008	3.0
83.08630	26.0
83.78476	2.7
91.05478	24.9
91.50199	2.6
93.07069	32.0
95.08618	66.7
97.06533	10.0
97.10170	20.3
98.20781	4.5
105.07065	16.5
107.08610	25.8
107.09265	4.5
109.09485	3.5
109.10172	44.6
111.08075	6.0
111.11733	9.4
119.08581	18.2
121.10149	30.6
123.11723	23.9
125.13303	3.2
129.05481	3.4
133.10175	16.8
135.11679	16.4
137.13252	10.5
147.11691	12.3
149.13245	13.8
149.60973	3.3
151.11232	3.0
151.14839	7.7
160.28331	2.6
161.13333	12.9
163.14784	12.8
165.16411	8.3
175.14879	13.6
179.17992	4.4
189.16368	6.6
245.22667	49.7
263.23770	41.9
337.27426	23.5
355.07437	2.7
355.18350	3.2
355.28619	4.3
356.35123	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	355.2843
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03956	4.7
54.62209	3.0
55.05513	38.6
57.03425	7.7
57.07069	13.9
60.72474	3.4
65.03947	4.1
67.05508	87.3
69.07076	39.1
69.28838	29.9
71.04992	5.2
71.08624	6.9
79.05500	28.2
81.07063	100.0
83.04968	5.4
83.08620	36.0
91.05448	24.5
93.07053	43.1
95.04956	3.6
95.08617	85.6
97.06535	9.1
97.10178	21.8
99.08115	5.8
105.07028	16.0
107.08612	32.7
109.10156	46.0
111.08090	5.0
111.11729	9.7
119.08607	16.7
121.10143	32.0
123.11713	22.1
125.00276	3.1
131.08604	4.5
133.10149	20.3
135.11716	15.4
137.13263	10.0
141.12741	3.8
147.11696	15.3
149.13277	17.3
151.14864	10.0
161.13239	20.8
163.14836	21.0
165.16446	6.0
175.14833	14.8
189.16338	5.9
245.22638	49.9
263.23694	44.8
337.27423	23.9
355.28183	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19971	1.2
51.96677	1.0
55.05523	1.7
56.96563	3.1
65.03919	1.6
67.05492	3.5
69.03428	1.8
70.06618	1.7
70.84774	2.8
73.04754	10.2
79.05486	2.3
81.03389	1.3
82.06581	6.1
85.02905	2.1
89.03928	5.1
91.05819	16.7
93.74597	1.1
95.04994	2.2
96.04522	1.1
98.06088	1.6
98.97588	4.9
110.06050	17.3
110.97565	4.4
116.98622	2.2
117.03415	6.1
122.06018	1.6
126.05527	7.4
128.07080	2.7
128.98630	2.8
135.04425	9.3
135.71837	1.2
136.07596	56.8
137.06006	1.7
138.05463	2.5
140.07120	1.6
145.02817	6.3
150.96706	1.1
152.07101	1.7
163.03918	55.2
164.07085	100.0
165.07393	1.9
182.08150	80.8
183.08412	1.6
193.05032	2.5
204.07658	1.4
219.01840	4.3
228.10416	1.4
229.00125	1.3
237.02864	9.0
256.09708	1.8
259.10947	1.4
268.97812	4.5
285.00940	8.8
302.10101	3.0
319.12927	4.4
337.14059	1.4
338.13300	5.2
355.07047	10.7
355.16409	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
54.55132	2.0
55.01854	7.5
55.05510	11.8
57.03425	4.5
61.01158	15.6
63.74219	2.0
65.03923	2.7
67.05509	15.7
69.03439	18.8
69.07051	6.2
70.43784	3.4
70.44120	3.9
71.04966	5.0
77.00626	20.9
77.03898	2.8
79.05495	29.7
81.03415	16.5
81.07059	22.7
83.04958	7.2
83.08593	4.0
85.01111	6.2
91.05484	54.0
93.06549	2.6
93.07053	27.0
95.04951	9.4
95.08593	7.5
97.01099	5.9
97.02873	6.1
97.06007	2.3
97.06541	27.4
97.10147	2.2
98.97569	4.1
99.02683	2.7
99.04437	4.9
101.75285	2.2
103.05441	9.0
105.00072	9.4
105.06411	2.5
105.07048	41.7
107.04939	9.7
107.08633	10.0
109.06511	6.5
109.10201	2.8
111.02607	3.7
113.00566	3.9
115.03844	2.5
115.05437	10.9
116.06202	3.1
117.07021	27.4
119.04925	4.6
119.08579	19.6
120.70579	2.1
121.06509	13.6
121.10128	6.3
123.02628	2.7
123.04419	4.1
123.08050	2.3
127.02076	2.4
127.03937	3.4
128.06227	34.7
129.07005	39.9
130.07753	6.3
131.01590	2.7
131.04897	3.8
131.08580	39.8
133.06529	12.0
133.10136	11.0
135.04410	2.4
135.08055	5.4
137.04158	3.0
137.09563	2.0
141.07008	26.2
142.07797	23.8
143.08568	94.2
144.05721	3.4
145.06464	13.8
145.10133	56.3
146.07204	2.8
147.02614	3.1
147.04393	2.1
147.08038	11.1
147.11649	6.1
149.04210	3.7
149.05931	2.6
149.09607	8.7
151.07607	2.4
152.06187	3.6
153.03687	2.8
153.07019	17.0
154.07771	24.0
155.05992	3.5
155.08563	62.9
156.09367	14.5
157.06535	11.8
157.08965	3.6
157.10126	39.0
158.07237	9.1
159.04387	4.9
159.08083	18.6
159.11685	12.9
161.04182	5.8
161.05927	3.1
161.09644	18.3
163.03879	11.3
163.05710	4.2
163.07469	2.7
165.07007	20.9
165.12737	3.5
166.07782	31.7
167.08562	13.9
168.09344	8.6
169.06512	3.2
169.08763	4.6
169.10141	72.7
170.07277	3.1
171.08057	20.2
171.11685	36.6
173.02505	2.7
173.06029	3.8
173.09634	48.8
175.03999	2.1
175.05722	2.9
175.07451	4.0
175.11143	4.9
177.09218	10.7
178.07736	4.7
179.08537	8.7
181.06523	3.7
181.10132	85.2
182.10826	4.3
183.08009	8.1
183.11720	13.1
184.08786	8.1
185.04224	2.2
185.05968	4.2
185.09607	16.6
187.03972	4.2
187.05759	4.9
187.07436	3.8
187.11188	19.7
189.09045	7.5
189.12741	3.9
191.10666	8.9
193.10086	2.7
194.10794	4.7
195.08063	3.3
196.08900	2.8
197.09642	23.0
198.04967	3.7
199.03903	3.3
199.05838	2.6
199.07520	7.4
199.11197	75.6
201.05513	4.6
201.07306	5.7
201.09085	6.8
201.12566	2.8
203.08882	5.2
203.10635	4.7
209.09618	13.3
209.11353	2.4
211.11185	4.6
213.05441	4.5
213.07288	6.4
213.09045	5.5
215.08891	5.5
215.10698	36.0
217.10399	3.8
217.12238	18.0
219.08272	3.7
227.08846	8.3
227.10718	57.7
233.09673	3.6
233.11798	3.3
245.09784	9.4
245.11971	22.6
247.07747	2.5
255.08403	4.5
261.09396	7.7
263.10693	3.9
267.13782	14.0
269.11774	3.1
273.09406	17.5
279.10397	5.3
291.10428	23.2
293.11725	2.8
307.09940	12.7
309.11569	35.6
309.14828	4.6
311.12619	7.7
319.10028	14.7
337.11011	24.6
337.14609	4.2
354.92090	2.2
355.11951	100.0
355.15561	11.9
373.15146	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	355.1027
Annotation	Scopolin
Peak:m/z	Relative Intensity
50.50629	0.8
54.62447	0.8
55.01857	0.8
55.05464	0.8
67.05477	1.0
69.52550	3.1
69.52977	3.1
70.06583	2.4
70.41309	0.7
72.08146	1.0
73.04758	3.5
79.05505	1.2
81.07047	0.9
84.08152	4.1
85.02917	2.0
86.09693	1.6
89.03956	1.2
91.05870	3.9
93.07068	0.9
97.06577	0.9
105.07014	1.8
107.08598	1.2
109.06584	1.2
117.07066	1.1
121.10147	0.9
122.03683	1.3
122.06017	1.7
129.10291	0.9
133.02872	16.8
135.04431	1.5
137.05988	8.0
145.02843	0.9
149.05981	2.0
163.03943	5.9
165.05457	1.8
175.07582	1.0
178.02640	9.7
187.07516	1.1
193.04984	100.0
194.05220	1.0
201.05489	3.2
268.97849	1.4
277.08701	0.9
285.00931	2.9
355.07037	1.6
355.13666	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	355.1026
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
70.13651	0.6
70.41990	1.9
70.42339	1.1
73.04747	2.0
74.78322	0.6
79.05497	1.4
82.03524	0.7
83.04977	0.9
85.02911	1.0
89.03923	7.7
91.05782	1.2
98.20840	0.8
107.04957	2.9
107.37138	0.7
117.03384	10.4
123.30802	0.8
135.04428	19.4
145.02856	12.9
163.03917	100.0
164.04231	1.3
179.58653	0.7
193.04980	2.0
215.98070	0.6
240.36752	0.7
268.97723	0.9
273.31705	0.7
294.12842	0.7
311.85239	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
69.03425	1.0
70.06588	1.2
70.41975	2.1
72.01994	0.6
73.04744	3.0
79.05491	1.7
83.04993	1.1
84.08120	1.1
85.02882	0.7
86.09727	0.9
89.03933	8.7
91.05797	2.0
93.25992	0.7
107.04942	2.5
117.03387	10.5
117.98724	0.7
135.03407	1.1
135.04428	18.7
137.05988	1.0
145.02863	14.2
145.04013	1.0
163.03917	100.0
164.04292	0.9
193.05019	2.2
232.44254	0.7
268.97693	0.7
285.00946	1.7
355.07245	1.5
355.13031	1.1
360.28757	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1025
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
50.06212	0.2
53.03947	0.3
54.68466	0.2
55.01865	0.3
55.05504	0.8
55.42677	0.2
57.48871	0.2
58.77261	0.2
67.01870	0.9
67.05495	0.9
68.99793	0.6
69.03436	1.2
69.07071	0.4
70.17475	0.4
70.17858	0.6
73.04749	0.2
79.05481	0.8
81.03414	0.6
81.07052	0.9
83.04987	1.6
83.08637	0.2
85.02900	0.9
91.05442	1.0
93.07040	0.9
95.05017	1.0
95.08618	1.1
95.19938	0.2
95.46040	0.2
97.02892	0.5
97.06521	0.4
99.04442	0.4
105.07014	0.9
107.08601	0.9
109.02895	0.2
109.06519	0.5
109.10180	1.5
111.04427	0.3
117.06983	0.4
119.05041	0.2
119.08589	1.0
121.06501	0.5
121.10157	0.4
123.04412	0.3
125.06003	0.6
127.03912	0.6
131.08614	0.3
133.06538	0.3
133.10098	0.9
135.08073	0.6
135.11659	0.7
137.05954	0.7
137.09621	3.3
143.08591	0.2
145.10150	0.3
147.04413	0.7
147.11659	0.2
149.06056	0.3
149.09590	0.2
149.13297	0.3
151.03906	0.6
153.01869	0.6
159.11711	0.3
161.05888	0.2
163.03926	0.3
169.05026	0.5
173.13260	0.2
175.07578	0.3
175.14848	0.8
179.10706	0.4
193.04976	100.0
193.15918	1.4
194.05304	1.5
197.01480	0.2
201.09134	0.5
277.08426	0.3
282.96466	0.2
285.00854	0.3
301.17822	0.4
355.17395	0.5
355.21780	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3367
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
51.51857	0.9
52.46996	0.9
55.05511	9.2
56.09314	0.9
57.03415	1.0
57.05811	1.6
57.07079	11.1
58.02964	2.0
58.06350	1.2
58.06601	14.5
60.04518	2.3
67.05502	7.0
69.06730	1.4
69.07069	16.3
70.02947	2.2
70.06595	7.1
71.08640	6.7
72.04507	2.3
73.04762	1.0
74.06084	2.1
77.40719	0.9
79.05481	3.5
81.07058	10.9
83.05001	1.6
83.08628	9.4
84.08132	4.6
85.10168	2.8
86.06049	2.8
87.06847	1.3
91.05804	2.1
93.07018	2.4
95.08606	13.2
97.06506	1.4
97.10160	5.9
98.09663	1.1
98.21548	2.4
105.07003	1.0
107.08580	1.8
109.10170	6.4
111.11720	3.7
112.07614	1.5
121.10164	1.4
122.18158	1.1
123.11689	4.2
125.13207	1.2
137.13211	1.5
138.97597	1.0
152.66254	1.1
229.42284	1.0
257.10458	1.1
294.31509	2.4
305.02911	1.0
306.31494	2.5
307.30066	2.3
308.33176	2.3
324.32748	1.2
326.34134	3.2
336.32605	11.1
337.30994	2.5
354.33661	100.0
355.34018	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	355.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26567	3.4
56.96558	7.1
64.87112	2.8
67.05504	3.7
68.65418	2.9
70.06601	4.4
70.35625	10.7
73.04762	26.8
79.05508	3.7
82.06595	8.9
84.08138	4.0
85.02935	5.5
89.03950	6.9
91.05816	45.7
97.02846	3.2
98.48827	3.3
98.97601	15.3
105.76611	3.1
110.06054	20.3
110.97594	7.0
117.03386	8.3
121.06525	3.6
126.05508	8.1
128.07063	3.3
128.98651	7.0
132.78448	3.6
135.04420	20.0
136.07579	60.8
145.02852	9.3
152.07030	5.9
158.10593	3.0
163.03915	100.0
164.07079	99.1
164.08418	6.0
178.09743	5.2
179.41141	2.8
182.08147	82.3
193.04907	3.7
204.07782	5.2
219.01837	13.7
229.00131	4.2
237.02855	16.0
245.17641	3.6
268.97858	12.9
285.00992	27.2
301.11905	3.6
319.13168	5.9
325.05951	4.0
337.10587	3.6
338.13440	9.1
355.07050	25.5
355.16003	4.0
373.08279	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	354.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.3
55.01869	5.5
57.03435	6.8
61.02925	5.5
68.99806	2.5
69.03086	3.3
69.03433	36.6
69.75978	10.6
71.04995	4.6
73.02911	5.2
75.09602	1.7
78.42973	2.1
81.03429	27.6
84.04488	2.1
85.02913	100.0
87.00836	47.9
93.07048	2.3
97.02901	34.8
99.04458	12.6
105.01873	79.8
107.08617	2.8
109.02901	31.2
115.43996	2.0
117.01900	3.7
127.03927	75.8
129.01834	3.5
145.04965	33.8
145.06041	3.3
147.02895	3.9
159.02933	11.2
161.11682	2.7
163.07643	1.9
189.03949	4.6
231.05016	23.1
249.06081	5.6
355.17212	2.6
378.49283	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2642
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
53.03925	2.3
55.01879	3.0
55.05529	8.9
57.03425	5.3
62.06093	100.0
67.05510	21.9
69.07072	14.4
71.04990	4.9
71.50121	3.1
79.05507	22.2
81.03399	2.1
81.07073	21.9
82.06618	1.9
83.05002	4.0
83.08610	3.6
85.05239	1.8
91.05481	15.0
93.07037	20.4
94.07403	2.1
95.04987	4.3
95.08621	11.5
96.08129	2.6
96.78329	1.6
97.06538	20.7
98.06049	4.6
105.07030	11.5
107.08598	12.0
109.10178	6.6
111.08071	5.1
114.88632	1.8
117.07035	6.0
119.08581	10.3
121.10168	10.2
124.11208	2.6
125.09631	2.7
131.08565	7.3
133.10126	5.7
135.11682	1.6
138.12769	6.1
142.43607	1.6
145.10126	7.4
147.11658	3.6
149.09557	1.7
150.09158	1.9
157.06583	2.8
159.11710	4.2
161.13292	2.8
171.11755	2.7
173.13283	2.6
173.97581	1.8
177.12738	2.0
183.08025	2.0
185.13271	2.9
187.14789	2.7
195.08006	1.9
196.13341	2.2
199.07487	2.8
205.15913	2.0
210.14941	10.3
214.14456	3.0
214.25162	1.8
226.18155	2.5
228.15984	12.2
241.12149	2.0
248.20206	2.1
257.18832	3.3
259.09631	3.1
262.21823	2.2
266.21207	6.6
272.20590	1.9
275.20059	9.9
280.22885	2.9
294.24463	8.5
311.12769	2.2
318.24310	12.8
326.14667	16.6
327.15839	2.3
336.25333	92.0
337.23752	2.7
354.14032	3.0
354.22717	3.1
354.26456	23.8
355.15405	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	354.1183
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.03936	0.5
55.01846	0.6
56.05025	1.0
56.14274	0.5
57.03415	0.8
58.27076	0.5
59.89734	0.4
61.02924	0.9
67.05503	0.9
69.03419	2.3
69.07064	0.6
70.06586	1.5
71.04980	1.4
71.42551	0.8
73.04739	0.4
74.06082	0.6
81.03397	1.3
81.87097	0.4
84.08145	0.8
85.02900	4.5
86.09706	0.9
87.04472	0.8
87.53632	0.4
91.05446	2.7
94.06579	5.1
95.04954	1.0
97.02877	1.7
97.06525	0.4
98.97558	0.8
109.02911	0.7
115.07557	0.7
117.05802	0.5
118.06561	7.1
119.04932	0.5
122.06041	4.9
127.03912	1.0
131.03741	0.4
131.04927	1.0
134.06041	0.8
135.04388	0.6
136.07582	0.7
137.05966	0.7
145.05029	0.8
146.06018	15.4
147.06787	0.7
150.05533	1.4
157.08635	0.7
162.05501	1.1
163.03905	1.9
164.07077	7.1
174.05513	100.0
175.05963	0.9
176.07053	0.9
192.06558	52.6
193.04985	1.0
195.98537	0.4
198.72121	0.5
207.75317	0.4
234.07487	0.6
237.02895	0.5
336.10687	0.6
354.11859	43.5
354.18631	1.8
355.11963	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.3
55.01869	5.5
57.03435	6.8
61.02925	5.5
68.99806	2.5
69.03086	3.3
69.03433	36.6
69.75978	10.6
71.04995	4.6
73.02911	5.2
75.09602	1.7
78.42973	2.1
81.03429	27.6
84.04488	2.1
85.02913	100.0
87.00836	47.9
93.07048	2.3
97.02901	34.8
99.04458	12.6
105.01873	79.8
107.08617	2.8
109.02901	31.2
115.43996	2.0
117.01900	3.7
127.03927	75.8
129.01834	3.5
145.04965	33.8
145.06041	3.3
147.02895	3.9
159.02933	11.2
161.11682	2.7
163.07643	1.9
189.03949	4.6
231.05016	23.1
249.06081	5.6
355.17212	2.6
378.49283	1.8
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
53.03941	3.5
55.05510	15.5
57.03429	5.6
57.07064	4.2
65.03937	3.4
67.05506	94.9
69.07070	15.0
71.04988	3.1
71.08627	2.7
75.04471	2.0
79.05493	38.4
80.28713	1.1
81.07060	100.0
83.08622	9.0
85.06551	3.1
91.05486	21.7
93.07047	55.6
93.07643	2.6
95.04963	2.7
95.08611	69.3
97.06547	2.3
97.10184	3.1
98.20821	3.8
99.08081	2.5
105.04510	2.0
105.07040	17.5
107.08593	34.7
109.06554	1.7
109.10167	38.6
111.08087	1.7
117.07020	9.3
119.08577	15.8
121.10152	31.2
121.11039	1.8
123.11711	22.1
125.09708	2.5
129.07031	2.0
131.08565	18.1
133.10144	14.7
135.11694	25.5
137.09642	2.0
137.13274	8.5
139.11176	1.3
143.08601	1.4
144.08095	3.8
145.10135	18.6
147.11707	9.1
149.13266	19.8
151.11232	1.9
151.14835	2.6
153.12775	1.3
157.09999	1.3
159.11700	15.6
161.13255	9.3
163.14836	9.6
173.13293	15.7
175.14854	3.3
177.12814	1.5
177.16411	5.5
179.14265	1.4
187.14818	9.6
189.16368	1.5
191.14291	1.8
201.16373	4.0
209.15314	1.6
219.17403	1.6
233.22681	4.8
243.21111	20.0
261.22144	88.0
262.22458	1.5
279.23175	5.9
335.25812	11.6
340.72147	1.3
353.18152	2.1
353.27060	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.28595	1.5
53.03941	3.0
55.05514	14.5
57.03425	5.2
57.07077	5.0
65.03935	4.4
67.05510	84.9
69.07073	12.2
69.39845	11.4
71.04996	3.4
71.08630	2.0
79.05497	50.2
81.07063	91.7
83.05010	3.2
83.08624	7.6
85.06549	3.8
91.05486	25.8
93.07054	55.7
95.04949	4.0
95.08616	73.0
97.10168	5.3
105.07020	16.3
107.08598	41.8
109.06563	2.2
109.10166	33.8
111.08098	2.3
113.09628	1.7
117.07032	9.3
119.08592	13.7
121.10152	30.0
123.08075	2.1
123.11707	25.5
125.09694	1.7
131.08582	23.7
133.10135	15.5
135.11700	27.2
137.09650	1.9
137.13292	7.4
144.08105	1.9
145.10141	15.3
147.11682	13.7
149.13255	18.9
153.12788	2.8
159.11719	15.8
161.13301	8.9
163.14848	13.3
173.13286	18.7
175.14832	4.2
177.16402	5.2
179.14301	2.2
186.17290	1.6
187.14848	11.1
201.16348	3.9
233.22736	6.4
243.21138	24.0
261.22171	100.0
262.22495	2.2
279.23260	5.7
335.25864	5.9
353.26917	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.05513	12.2
57.03429	3.3
57.07072	4.5
57.93979	2.1
65.03911	2.0
67.05510	99.9
69.07064	12.8
70.90594	5.8
71.04985	2.3
75.56097	2.2
79.05501	41.0
81.07060	100.0
82.07384	2.5
83.08611	7.6
91.05489	19.6
93.07050	51.8
95.08614	76.3
97.06522	3.4
97.10159	3.5
105.07043	17.5
107.08600	35.4
109.10169	38.1
117.07021	9.3
119.08590	12.8
121.10139	31.8
123.11724	20.3
130.05717	2.2
131.08577	18.9
133.10147	14.1
135.11684	25.6
137.13272	11.1
145.10130	13.6
147.11716	10.3
147.88503	2.4
149.13271	15.9
151.14771	3.0
159.11716	10.2
161.13290	7.9
163.14838	13.0
173.13258	13.9
177.16412	5.3
187.14806	8.5
195.35225	1.9
201.16290	4.5
233.22661	2.8
243.21066	22.5
261.22150	91.9
279.23196	6.5
335.25839	8.2
353.26794	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.269
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.62890	2.6
53.03947	3.7
55.01875	6.5
55.05516	53.6
55.84550	2.6
57.03432	14.0
57.07077	19.6
65.03941	5.3
67.05510	91.9
67.05874	4.4
68.35041	3.6
68.99792	9.0
69.03447	5.2
69.07077	55.7
71.04997	5.6
71.08638	18.6
71.51704	3.3
71.52094	3.1
74.42100	2.7
77.03890	2.8
79.05498	53.1
79.52740	2.6
81.07065	100.0
83.04993	9.4
83.08634	34.1
85.06563	8.7
85.10181	3.8
91.05489	21.5
93.07053	72.5
95.04983	4.1
95.08617	73.5
97.06538	17.0
97.10168	28.6
99.08099	12.7
105.07047	25.2
107.08600	44.2
109.06549	2.9
109.10164	41.1
111.00813	22.7
111.04465	6.1
111.08088	7.5
117.07007	16.4
119.08620	18.5
121.06553	4.4
121.10164	31.1
123.11738	20.5
125.06028	3.9
125.09656	13.9
127.03864	5.7
127.11196	4.2
131.08604	17.5
133.10159	12.7
135.08072	9.0
135.11707	39.5
137.13301	9.5
139.03870	14.4
139.07605	3.7
139.11136	3.1
144.08115	12.3
145.10127	15.2
147.11688	16.0
149.09668	5.7
149.13321	14.9
153.09038	3.3
153.12787	7.1
157.10182	4.0
159.11731	12.7
161.09731	3.6
161.13286	7.8
163.11206	4.5
163.14847	11.6
167.06993	4.1
171.11972	3.2
173.11850	5.1
173.13261	9.8
175.14880	4.6
177.12744	4.0
177.16457	4.7
187.14812	7.7
188.89322	3.2
189.11201	7.0
191.14331	4.6
197.13223	3.1
209.11687	7.8
209.15176	4.5
223.13303	10.5
237.14825	5.4
243.21077	15.3
251.16473	11.0
261.22177	47.1
265.18103	8.8
272.34119	3.2
279.19852	6.3
279.23230	21.6
335.25879	52.1
353.17651	5.6
353.27124	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.2
53.03934	3.8
55.05517	15.5
57.03450	4.9
57.07074	2.7
62.56453	1.0
65.03941	3.4
67.05509	100.0
69.07075	15.0
71.04980	2.2
71.08634	1.9
75.04474	2.7
79.05499	46.1
81.07063	97.1
83.08619	6.6
85.06546	2.3
91.05486	19.1
93.07052	55.3
95.04979	1.4
95.08613	72.6
97.06504	2.6
97.10176	3.9
98.20720	2.1
99.03839	1.0
99.08101	1.9
105.04549	1.4
105.07039	20.4
107.08600	36.6
109.06555	1.6
109.10166	38.0
111.08109	2.3
113.09666	1.0
117.07030	9.7
119.08585	14.2
121.10149	27.6
123.08067	1.2
123.11720	20.6
131.08583	18.0
133.10135	12.8
135.11702	24.9
137.09671	1.7
137.13255	7.0
139.11217	2.2
145.10126	15.2
147.11682	9.8
149.13269	18.1
151.14833	2.1
153.12758	1.1
159.11710	14.2
161.13245	9.0
163.11172	1.1
163.14841	11.7
165.12729	2.1
165.16328	1.3
173.13264	13.4
175.14848	2.7
177.12791	1.0
177.16376	4.5
179.14316	1.9
187.14821	9.2
191.14381	1.1
201.16370	3.3
205.15961	1.4
219.17465	1.1
229.01654	1.1
233.22693	3.9
243.21103	23.0
246.45776	1.0
246.62611	1.0
252.84872	1.0
261.22165	91.3
262.22440	1.5
263.23660	1.3
279.23074	5.9
317.24872	1.3
335.25809	9.8
342.37823	1.1
353.26859	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	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.4
55.05519	17.7
56.52114	2.4
57.03432	3.0
57.07070	7.4
64.68971	2.3
67.05508	100.0
69.07065	14.8
69.78912	9.5
69.79320	4.4
71.04988	4.6
71.08630	4.9
79.05498	65.4
80.92740	2.2
81.07061	97.9
83.04988	7.2
83.08619	8.4
85.06551	4.5
91.05483	32.1
93.07047	77.3
95.04984	4.4
95.08611	74.5
97.06519	5.5
97.10177	2.8
99.08090	5.7
105.07043	22.2
107.08600	51.4
109.10160	26.6
111.08045	3.7
117.07027	11.1
119.08582	13.5
121.10157	35.1
123.08065	2.9
123.11706	17.1
123.31184	2.3
131.08585	26.6
133.10135	13.6
135.11685	30.3
137.13266	5.3
145.10110	16.3
147.11713	11.3
149.13283	24.4
159.08125	2.9
159.11693	17.7
161.13240	13.2
163.14786	18.7
173.13277	19.5
175.14793	2.6
177.16444	5.4
187.14819	8.7
201.16350	4.1
233.22664	6.3
243.21103	28.8
261.22156	83.1
335.25739	3.9
353.26877	3.3
354.26337	4.3
354.34174	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03946	3.7
55.05510	17.2
55.87921	2.8
57.03430	5.0
57.07082	5.8
65.03938	3.3
67.05511	100.0
69.07073	19.5
69.78286	9.0
69.78698	4.5
79.05496	49.2
81.06590	5.7
81.07063	95.4
81.07535	5.5
83.04976	2.9
83.08622	5.5
84.61015	2.4
85.06538	4.3
91.05486	24.3
93.06487	5.1
93.07051	72.5
95.08614	80.5
97.10188	4.8
98.21524	3.1
105.07033	20.5
107.08610	44.9
109.10168	33.8
117.07060	14.8
119.08599	17.9
121.10163	28.7
123.11719	18.5
131.08600	23.9
133.10152	12.3
135.11717	27.1
137.13205	4.9
142.36505	3.2
145.10156	16.9
145.83595	2.5
147.11705	14.0
149.13261	24.1
151.14803	3.9
159.11703	13.7
161.13293	8.3
163.14836	10.1
173.13293	15.7
177.16434	4.7
187.14888	7.5
205.15953	2.9
239.81094	3.2
243.21053	21.6
261.22147	91.3
279.23279	3.3
287.13516	3.4
295.79370	2.7
317.99451	2.8
335.25729	4.4
352.21118	2.6
353.26862	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03959	3.0
55.05512	16.6
57.03439	5.1
57.07077	3.5
65.03944	2.9
67.05505	82.4
67.93765	2.0
69.07069	13.8
69.32607	18.3
69.32932	3.0
71.05001	2.4
79.05498	44.5
81.07060	82.6
83.08622	6.2
84.73296	1.9
85.25445	1.9
91.05484	24.9
93.07049	57.6
95.04981	2.9
95.08612	52.4
97.06512	3.1
97.10157	3.4
105.07032	13.1
107.08597	35.8
109.10161	31.6
117.07005	5.0
119.08585	14.2
121.10167	29.4
123.11716	19.3
131.08571	20.9
133.10176	13.0
135.11688	24.9
137.13263	6.7
145.10152	11.9
147.11688	8.1
149.13272	21.6
159.11682	17.5
161.13240	8.2
163.14833	14.1
173.13304	14.9
175.14865	3.6
177.16344	4.9
187.14857	10.2
201.16385	4.0
233.22696	3.4
243.21030	23.5
261.22150	100.0
279.23303	4.2
295.34955	2.1
296.77045	2.1
300.42667	2.3
335.25739	3.4
353.26828	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	353.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	7.2
55.05513	21.0
57.07071	8.3
59.04974	4.7
67.05508	27.3
67.44966	3.3
69.07076	50.9
71.05005	7.0
71.22098	4.8
79.05502	23.3
81.07055	49.4
83.08613	21.0
87.04443	5.3
91.05482	36.3
93.07059	36.4
93.27007	3.5
95.04976	14.7
95.08062	7.2
95.08618	91.7
97.06535	14.8
97.10152	4.2
105.07041	44.1
107.04958	7.3
107.08593	67.5
109.06502	6.1
109.10170	40.1
111.08096	50.7
115.05486	4.1
117.07027	12.9
119.07807	7.7
119.08596	100.0
121.06505	6.0
121.10149	79.4
123.08058	9.5
123.11703	13.4
128.06223	4.0
129.07025	13.9
131.08571	35.1
133.10149	58.0
135.08057	34.2
135.11682	23.5
137.05986	91.4
137.13242	4.9
139.07538	8.2
142.07808	6.5
143.08553	25.2
144.08015	4.4
145.10112	37.2
145.11052	4.2
147.08055	28.0
147.11716	19.4
149.09645	23.2
149.13248	12.6
155.08577	14.8
156.09418	9.4
157.10146	39.9
159.08081	16.6
159.11707	29.8
161.09604	10.5
161.13263	11.8
163.07498	5.3
165.09149	3.9
169.10104	12.2
170.10870	5.4
171.11696	22.3
173.13293	16.2
175.14856	30.7
177.09132	14.5
177.16403	59.8
180.92979	4.1
182.10992	5.4
183.11707	29.2
184.12425	4.2
185.09688	4.1
185.13176	20.5
186.14049	4.1
187.14874	6.9
189.16397	49.7
195.11780	6.6
197.13280	22.9
199.14871	10.8
201.16409	15.2
203.10686	5.0
209.13242	8.1
211.11198	13.7
211.14842	15.8
213.12636	4.9
213.16403	10.0
214.17159	5.7
215.17926	8.3
217.12318	6.3
223.14777	5.2
225.16388	8.3
227.18031	6.0
229.12206	5.1
237.16373	5.9
239.17975	12.2
241.19446	6.4
253.15704	5.1
253.19518	9.3
254.20326	13.5
255.21300	6.2
267.21213	19.9
303.75760	3.7
335.23807	10.2
343.59753	4.0
353.24796	95.3
353.31729	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	353.2324
Annotation	Thromboxane A2
Peak:m/z	Relative Intensity
53.03949	1.2
55.01868	2.5
55.05513	13.2
57.07076	6.7
67.05510	20.8
68.99789	7.2
69.03432	1.6
69.07070	17.4
71.04996	1.6
71.08617	3.2
73.11929	1.0
79.05493	12.1
80.25490	1.2
81.03417	1.2
81.07061	24.5
83.04988	3.8
83.08621	10.4
85.06544	1.4
91.05466	7.9
93.07046	17.4
95.04987	1.3
95.08611	17.6
97.06536	6.0
97.10163	5.4
100.34043	1.3
105.07052	6.9
107.08612	12.7
109.06513	2.0
109.10167	9.9
111.00800	19.6
111.04423	5.5
111.08092	3.2
117.07022	3.2
119.08585	4.0
121.06543	2.3
121.10168	12.7
123.11697	4.3
125.06012	3.1
125.09608	2.8
127.03908	7.4
131.08571	5.2
133.10132	4.4
135.08052	1.3
135.11697	6.8
137.13335	1.4
139.03903	13.4
139.07594	1.5
139.11171	1.3
144.08130	3.0
145.10120	3.7
147.11696	2.3
149.09621	1.6
149.13326	6.0
154.79224	1.1
157.08534	1.1
157.10001	1.9
159.11702	4.2
163.11127	1.4
163.14813	3.5
167.07089	2.0
171.10194	1.5
173.13231	3.3
177.12827	1.2
181.08600	2.4
187.14781	1.2
191.10666	1.2
195.10217	2.4
209.11778	3.2
209.15363	1.2
223.13263	4.4
225.86714	1.1
237.14888	4.6
243.21156	2.8
251.16469	4.0
252.53581	1.0
261.22095	10.0
265.18027	2.1
265.21707	4.4
272.41379	1.2
293.21216	5.7
307.22678	19.5
318.48846	1.3
325.14569	1.7
335.22183	100.0
336.22479	3.0
353.17703	1.9
353.24789	2.9
354.33701	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16031	0.4
57.02910	0.4
63.23608	0.4
67.05492	0.7
69.03445	0.7
69.07055	0.7
70.11169	1.1
70.11551	0.8
70.30999	0.4
78.88960	0.4
79.05497	0.6
80.83046	0.4
81.03412	2.1
81.07053	1.1
86.80782	0.4
91.05506	1.1
93.07043	1.1
94.18745	0.4
97.06545	1.8
98.20757	0.6
105.07036	1.1
107.08572	0.8
109.02866	1.1
109.10168	0.5
110.03680	0.5
110.90798	0.5
117.07055	0.5
119.08534	0.6
121.10116	0.7
127.03915	0.8
140.95520	0.4
143.08475	0.5
145.10114	0.9
147.11655	0.5
163.11197	1.0
173.09567	0.4
201.09131	0.6
229.08629	0.5
257.08136	0.7
325.14453	3.1
335.21875	0.8
353.22995	100.0
354.23419	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56483	0.2
53.03925	0.3
55.05506	0.4
57.03429	0.6
61.02931	0.3
62.47710	0.2
67.05500	0.7
67.32111	0.2
69.03431	2.8
70.99747	0.3
71.46441	0.5
71.46790	0.3
73.02914	0.3
75.45829	0.2
81.03418	0.4
81.07037	0.5
81.83413	0.3
83.01334	1.0
85.02911	4.9
91.05499	0.5
93.07048	0.5
97.02914	2.2
105.07022	1.0
107.04980	0.3
107.08598	0.7
109.02882	0.7
109.06521	0.3
117.06998	0.4
118.02673	0.3
119.08548	0.6
121.06510	9.4
121.10114	0.5
127.03918	1.0
135.08073	2.5
137.05989	3.0
145.04951	0.6
145.06494	0.4
145.10130	2.5
147.04459	0.4
147.06458	0.3
149.05965	1.9
149.09595	0.7
158.07303	1.5
161.06006	1.2
162.06772	2.0
163.07565	6.2
163.11203	3.1
171.08049	0.3
173.09630	2.6
176.08339	5.0
189.09151	1.0
191.10683	100.0
192.11043	1.9
198.04607	0.2
201.09042	0.3
203.10640	0.3
353.16049	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.2
55.01873	3.2
55.05267	1.7
55.05515	17.9
57.07077	5.1
65.03947	5.2
67.05510	96.1
68.99798	2.6
69.02589	1.5
69.03426	10.4
69.07076	12.3
71.04998	7.7
71.51148	2.5
77.03929	2.1
79.05501	51.5
81.03425	29.3
81.07064	100.0
82.95376	1.3
83.04993	7.8
83.08621	4.3
85.06555	4.1
87.00835	13.6
87.04476	4.8
91.05487	58.7
93.03381	1.8
93.07050	64.2
93.07645	3.2
94.09025	1.4
95.04963	7.3
95.08614	91.8
97.02921	2.8
97.06532	12.8
97.10172	2.4
99.04455	5.2
100.11289	2.7
101.06023	1.4
103.05493	1.8
105.07041	48.4
107.04976	4.0
107.08605	44.6
107.09314	3.0
109.02892	18.6
109.06522	4.5
109.10164	50.9
110.03673	2.0
111.04447	5.2
111.08038	2.3
113.06062	2.0
115.05444	1.6
117.07010	8.6
119.08588	43.8
121.06510	5.8
121.10159	41.1
123.08096	2.8
123.11717	21.5
125.02346	2.5
125.06022	1.7
125.09664	1.6
127.03910	11.3
127.07597	1.7
128.06212	2.1
129.07007	5.7
131.08588	12.9
132.08098	3.0
133.06526	2.4
133.10143	45.8
135.08119	4.1
135.11694	20.1
137.05969	3.3
137.09641	3.6
137.13235	6.8
139.11176	1.7
143.08607	6.9
145.10136	12.2
147.08076	6.2
147.11705	29.0
149.09648	5.1
149.13286	6.0
151.07530	2.9
153.12805	4.1
157.10114	5.6
159.11749	4.8
160.07625	7.6
161.09654	8.7
161.13228	10.8
163.11209	13.9
163.14801	3.2
165.09135	6.2
165.12723	2.4
167.06999	1.8
167.10620	2.4
169.08615	1.8
171.11736	4.1
173.09662	2.3
173.13333	1.7
175.07552	1.5
175.11212	5.8
175.14821	5.1
177.16316	7.0
179.10699	6.0
181.12244	3.9
182.15410	1.6
185.13213	3.8
187.14862	2.5
189.12791	2.8
189.16438	6.3
191.07033	2.5
191.10716	9.5
193.12181	2.2
194.08208	2.2
201.16393	2.1
203.14391	3.1
203.17973	40.4
205.10104	1.7
207.13788	1.6
209.11609	3.1
213.16393	8.5
221.19002	10.9
227.12976	1.8
231.17459	15.8
247.16824	7.3
249.18491	8.6
267.19525	8.0
289.17917	1.8
293.17422	2.4
301.67395	1.5
307.19125	2.2
309.17044	4.3
309.20468	2.2
317.17645	2.0
321.11356	3.1
325.14618	2.7
335.15033	2.3
335.18649	3.4
353.15701	22.1
353.19727	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	352.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60577	3.1
55.05503	2.7
66.56155	3.1
67.05513	5.1
69.03453	6.5
69.07074	4.6
70.06597	3.8
71.04994	15.4
71.29472	2.7
72.08138	5.2
79.05542	3.2
81.03439	3.2
81.07076	2.7
84.04536	3.0
84.08145	3.6
85.02896	8.6
95.08605	9.5
97.02898	3.4
97.06559	2.9
105.01860	3.1
107.95156	2.8
109.10165	20.1
111.08107	3.1
118.68273	3.1
120.08085	4.4
121.06347	3.1
127.03986	4.8
127.11198	51.3
136.06192	15.0
136.07565	4.2
137.09651	6.0
155.10670	100.0
161.06078	3.0
173.11749	33.6
190.97234	3.1
207.01318	2.8
220.11940	17.2
237.16017	2.7
340.23923	3.4
352.13837	3.0
352.21274	4.3
362.90811	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	353.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.7
55.01868	8.2
55.05516	3.2
57.03425	1.9
57.04134	1.9
60.63900	1.6
61.01150	11.5
65.03936	3.7
67.05508	7.3
69.03432	6.0
69.07063	2.0
71.50241	1.9
73.02930	2.8
77.00637	13.4
77.03950	1.6
79.05494	16.8
81.03407	10.1
81.07065	11.2
81.43524	1.6
85.01122	6.2
91.04962	3.1
91.05487	29.0
93.07050	18.2
95.04962	5.3
95.08627	2.9
97.01109	4.8
97.02903	6.4
97.06535	3.2
99.02673	5.5
99.19281	1.6
101.00615	1.8
103.05462	6.5
105.00098	5.1
105.07037	41.5
106.07843	2.1
107.04948	5.7
107.08593	7.2
109.02882	14.1
109.06548	2.0
109.10148	3.4
110.40169	1.6
111.02673	4.5
111.04399	1.9
115.05426	10.9
117.07029	23.6
118.04110	1.8
119.04963	2.9
119.08598	10.2
121.06510	6.1
121.10150	5.5
123.04446	3.8
123.08020	2.4
127.03925	1.9
128.06226	34.3
129.00139	1.9
129.06999	36.1
130.07796	6.3
131.04991	4.2
131.08571	37.2
132.05695	2.2
133.06465	7.2
133.10150	5.0
134.07265	2.6
135.02673	2.4
135.04442	2.0
135.08144	3.1
137.04199	3.9
138.34772	1.6
141.07001	34.9
142.07803	13.8
143.08565	99.8
144.09328	4.9
145.06448	10.8
145.10127	29.3
147.02679	2.6
147.04382	2.0
147.08067	11.1
147.11755	2.1
149.04253	1.8
149.06010	2.3
151.03889	2.7
151.05779	3.6
151.07593	2.7
152.06256	3.2
153.07016	11.0
154.07787	42.0
155.06030	3.5
155.08563	24.1
156.09369	9.7
157.06479	3.9
157.10155	13.7
159.04362	2.0
159.08058	13.2
159.11700	11.3
161.04257	2.9
161.05980	7.4
161.09630	5.2
163.05804	3.4
163.11218	5.7
165.03844	2.2
165.07057	5.8
166.07825	4.4
167.07213	3.1
167.08549	22.4
168.09303	4.4
169.06461	6.8
169.10135	100.0
170.10808	2.5
171.08067	23.5
171.11703	27.6
172.08861	2.1
173.04308	2.6
173.06009	5.9
173.09669	8.9
175.05797	3.3
175.07574	2.2
177.07281	2.1
179.08580	15.7
181.06456	2.8
181.10138	11.8
182.07291	7.0
182.10902	5.9
183.04779	5.0
183.07933	3.6
183.11705	5.4
185.09601	9.3
186.05016	4.7
187.05775	4.8
187.07520	4.2
187.11205	21.3
189.07481	2.6
189.09059	11.3
191.07089	2.9
191.10733	4.3
192.07872	2.7
195.08102	7.0
197.09630	50.6
199.07603	5.9
199.11218	7.1
201.07349	8.5
201.09167	4.2
203.05353	2.3
203.08783	2.5
203.10603	2.2
207.08101	3.3
209.09671	4.1
211.04253	3.3
213.09076	9.0
214.10011	2.1
215.08868	10.8
215.10690	86.6
216.11067	2.2
217.12309	3.0
218.07193	1.9
221.06238	2.4
223.07663	1.9
225.05702	3.9
225.07362	1.7
225.09108	23.9
227.10712	5.4
229.06737	2.1
231.10208	4.2
233.09830	3.5
237.22922	2.3
241.08578	4.1
243.08339	7.6
243.10300	54.2
244.10600	2.2
247.07806	4.9
255.10252	2.7
259.07895	2.2
260.08301	2.1
261.09348	37.3
262.09830	2.0
263.07104	3.2
271.07837	9.1
275.07437	3.2
277.08801	2.0
279.10382	3.6
289.08929	33.3
290.09082	2.3
299.07355	2.5
307.09976	34.9
317.08484	4.8
321.11102	7.2
335.09476	17.9
353.10437	24.0
353.15460	18.0
359.88867	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2893
Annotation	Plakorsin B
Peak:m/z	Relative Intensity
50.61813	0.2
53.03926	0.6
54.04195	0.2
55.01857	0.6
55.05278	0.2
55.05516	2.8
57.03421	0.3
57.06835	0.2
57.07077	2.3
65.03926	0.4
65.16053	0.2
67.01849	0.4
67.05177	0.3
67.05507	3.3
68.99794	3.0
69.03403	0.2
69.06738	0.2
69.07074	2.9
71.01344	0.3
71.04977	0.4
71.08629	1.1
79.05496	1.7
81.03417	0.9
81.07056	3.0
83.04972	0.5
83.08617	1.1
85.10195	0.2
87.00391	0.2
87.00838	1.9
91.05474	0.8
93.07050	1.1
95.04990	0.9
95.08604	1.8
97.02897	0.3
97.06519	0.7
97.10163	0.8
99.04447	0.3
105.07012	0.5
107.08585	0.7
109.02884	0.4
109.06504	0.3
109.10143	0.6
111.00793	2.0
111.04440	0.7
111.08076	0.4
111.11663	0.2
113.02358	1.0
119.08523	0.4
121.06461	0.2
121.10133	0.6
123.04408	0.5
123.11726	0.2
125.05984	0.2
126.03122	2.7
127.03915	1.4
133.10118	0.3
135.08086	0.2
135.11723	0.2
138.27881	0.2
139.03883	1.6
139.97923	0.2
140.74538	0.2
149.13240	0.2
149.45712	0.1
154.32738	0.2
163.14923	0.2
169.08594	0.4
174.35994	0.2
183.10124	0.6
197.11821	1.0
211.13254	1.3
225.14873	1.3
239.16344	1.1
253.17984	0.9
266.97086	0.2
267.19644	1.0
277.21188	0.2
281.21088	0.7
282.46927	0.2
295.22717	0.5
295.83759	0.2
307.59418	0.2
309.24396	0.2
323.29584	0.3
351.28931	100.0
352.29297	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	351.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.9
55.05520	26.9
57.07081	3.6
63.11526	2.7
63.90786	3.0
65.03924	4.5
67.05511	37.1
69.03423	5.9
69.07074	52.2
69.07432	5.6
69.30212	24.6
71.04998	9.4
72.99720	2.9
74.69392	2.7
79.05502	37.5
81.07070	55.5
83.05000	4.2
83.08640	17.3
87.68966	3.0
91.05489	39.4
93.07056	69.2
95.04974	24.2
95.08621	58.2
97.06539	15.7
97.10186	3.7
105.07043	91.7
107.08598	58.4
109.06533	12.4
109.10172	45.3
111.08111	4.4
115.85882	3.0
117.07028	21.0
119.08595	100.0
121.06514	8.3
121.10150	44.9
122.10423	3.4
123.08113	4.4
123.11697	15.0
128.06221	9.8
129.07018	9.5
130.07782	5.8
131.08578	39.9
133.10149	45.4
135.08064	11.2
135.11700	14.4
137.09647	3.5
137.13339	6.1
142.07756	15.5
143.08580	31.1
144.09283	5.1
145.10150	43.0
146.07303	7.2
147.08063	4.4
147.11707	23.2
149.09610	9.0
149.13290	4.5
155.08566	5.7
156.09386	7.7
157.10133	44.2
159.08113	5.7
159.11700	27.7
161.09642	38.5
161.13287	10.3
163.14932	2.9
165.07042	4.6
167.08540	5.7
169.10165	12.3
170.10783	3.3
171.11674	26.6
172.12502	2.8
173.13252	14.5
175.11179	8.1
175.14856	12.9
177.16388	20.1
179.08551	4.7
180.09262	3.0
181.10162	6.6
183.11713	10.7
184.12471	3.6
185.09590	3.4
185.13243	19.7
186.13824	3.3
187.14890	8.0
189.16435	9.9
194.10815	6.3
195.11668	6.9
197.13278	7.8
199.14827	9.2
203.17981	5.4
209.13344	11.8
211.14813	10.2
213.16388	4.1
214.12976	2.9
223.14835	4.3
227.14362	6.8
227.17946	3.1
237.16550	3.7
239.18018	5.4
241.19482	7.3
243.21182	4.0
244.72025	3.4
249.16356	3.1
255.20909	3.6
259.20706	3.5
263.18069	3.8
267.21121	4.4
279.05319	2.9
332.96741	3.1
333.25931	5.2
351.26758	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.05513	14.7
57.01838	1.2
57.03452	5.6
57.07078	2.1
59.44655	1.1
65.03940	2.7
67.05507	41.5
69.07068	12.8
69.97983	4.4
71.04981	3.2
72.85165	1.2
77.03920	1.5
79.05495	55.9
81.07056	47.4
83.04979	1.5
83.08630	6.7
84.13850	1.1
85.06537	3.8
90.04705	1.1
91.05486	59.7
93.07050	72.1
95.04964	4.9
95.08066	2.3
95.08617	29.5
97.06541	4.5
97.10143	2.0
99.08091	2.9
105.04498	2.5
105.07034	66.6
107.04912	1.3
107.08604	44.9
109.06542	2.5
109.10167	11.3
110.54903	1.2
113.09663	2.9
115.05529	1.4
117.07019	15.1
119.08585	60.4
121.10147	32.6
123.08073	1.6
123.11731	2.9
125.09714	1.4
128.06229	2.1
129.07042	10.3
130.07857	1.5
131.08566	21.7
133.10138	49.1
135.08080	2.8
135.11703	30.1
143.08580	11.7
145.10133	22.1
147.11691	47.5
149.09637	4.6
149.13263	20.0
151.11142	1.5
157.10175	10.7
159.11690	20.2
161.13258	40.0
163.11185	2.0
163.14810	6.8
165.12724	1.5
171.11693	17.1
173.13277	11.3
175.11148	2.0
175.14813	18.9
177.12756	3.0
183.61110	1.3
185.13290	16.4
187.14809	3.1
189.12813	3.2
191.14249	1.5
194.97701	1.2
199.14862	8.3
201.16411	1.7
203.14352	2.9
213.16341	3.5
215.18019	2.7
217.15860	1.3
217.19513	3.9
231.17496	2.6
231.21068	10.6
241.19542	34.8
241.22090	2.0
259.20590	100.0
260.21008	1.9
277.21729	4.1
303.35995	1.1
333.24234	3.4
351.04849	3.3
351.21127	2.7
351.25360	51.7
352.25742	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
55.01872	1.9
55.05513	18.8
55.89653	0.9
57.03437	7.0
57.07088	5.7
65.03933	2.6
67.05508	46.5
69.03446	1.3
69.07070	15.2
70.67468	3.3
71.04996	4.2
71.08622	1.6
75.04503	1.3
79.05496	60.8
80.83498	1.3
81.07063	49.8
83.04981	4.5
83.08627	6.9
85.06556	4.1
91.05486	63.7
93.07047	80.0
95.04975	5.9
95.08611	31.6
97.06520	5.1
97.10184	1.7
99.08105	4.8
103.05547	1.3
105.07036	71.1
107.05022	1.0
107.08599	48.8
108.09026	1.5
109.06524	4.2
109.10152	13.5
109.26686	1.1
111.08107	2.0
113.09689	2.6
115.05436	1.8
117.07023	15.6
119.08586	57.4
121.06541	2.0
121.10149	32.2
123.08094	1.8
123.11735	2.5
125.09637	1.4
127.18150	1.0
128.06206	1.7
129.07007	11.4
130.07866	1.3
131.08575	22.8
133.06407	1.2
133.10135	53.4
134.05740	1.3
135.08098	4.0
135.09428	1.2
135.11690	34.1
137.05969	2.5
137.09633	1.9
142.07780	2.0
143.08557	12.9
145.10124	26.2
147.08022	1.9
147.11691	50.4
149.09669	3.2
149.13258	22.1
151.11215	1.4
155.08624	2.2
156.09315	1.4
157.10152	8.8
159.08118	1.7
159.11697	20.3
161.09663	1.7
161.13263	34.6
163.11185	2.9
163.14790	7.7
165.12822	1.3
169.10101	2.0
169.73604	1.4
171.11700	14.8
173.09647	1.3
173.13258	11.6
175.11226	3.8
175.14854	18.2
177.12820	2.9
185.13271	16.6
187.11197	2.1
187.14862	3.0
189.12799	3.6
189.16412	2.3
191.14333	1.2
199.14819	9.5
203.14383	3.7
213.16388	4.9
215.10703	2.5
215.14258	1.1
215.18028	1.9
217.15918	1.3
217.19574	4.6
231.17502	2.4
231.21071	9.9
233.11809	1.8
241.19518	30.2
242.20010	1.3
259.20587	100.0
260.21045	1.8
277.18216	1.6
277.21661	4.2
333.24405	1.4
351.12244	2.0
351.16138	2.1
351.25394	53.9
352.25269	1.2
371.02194	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.9
55.01857	2.6
55.05312	1.7
55.05516	20.0
56.96564	2.0
57.03448	10.0
57.07067	5.3
59.05003	1.7
65.03931	3.6
67.05510	54.3
69.03423	2.7
69.07072	19.7
70.29678	1.7
71.04986	5.7
71.08630	2.1
71.50961	1.9
75.04453	1.9
79.05498	65.9
81.06588	3.8
81.07059	63.7
83.04993	4.6
83.08630	11.2
85.06540	6.0
91.05486	63.1
93.07050	93.8
93.07641	4.5
95.04981	7.1
95.08612	42.6
97.06538	6.2
97.10160	2.3
99.08051	4.2
105.07034	65.6
107.08601	51.3
109.06524	5.4
109.10155	17.3
111.08088	2.5
113.09672	2.7
113.27261	1.8
115.05415	2.2
117.07014	17.1
119.08590	64.7
121.06507	3.4
121.10158	41.1
123.08104	2.7
123.11729	2.6
125.05992	1.9
125.09671	2.0
128.06253	3.0
129.07033	10.9
130.07805	2.3
131.08566	23.0
133.10139	51.6
135.08069	8.2
135.11694	47.8
137.05972	11.8
137.09633	2.5
137.13197	1.8
141.07004	2.4
143.08563	12.2
145.10130	24.6
147.08086	2.9
147.11699	55.4
149.09590	4.0
149.13272	26.1
151.11203	2.3
153.87764	1.8
154.86647	1.9
157.10162	11.7
159.08038	2.2
159.11694	21.7
161.09622	3.3
161.13258	40.3
163.11166	4.5
163.14778	9.9
171.11674	17.9
171.12682	1.6
173.13278	12.4
175.11186	2.6
175.14833	20.6
177.12820	3.7
181.03340	2.3
181.12100	1.8
185.13280	16.2
187.14896	5.3
189.12761	2.9
189.16380	3.1
199.11310	1.8
199.14835	5.4
203.14255	3.1
203.18077	2.3
213.16425	5.1
215.17870	2.1
217.15944	2.5
217.19530	5.4
231.17534	2.7
231.21103	9.0
241.19502	33.5
259.20605	100.0
277.18091	7.1
277.21667	12.2
319.09546	2.3
333.24280	7.9
351.12558	4.1
351.21756	2.9
351.25369	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
53.15805	1.3
55.01876	1.7
55.05515	17.9
56.96569	3.6
57.03436	4.8
57.07078	4.7
65.03945	3.1
66.04675	1.4
67.05507	53.6
69.07073	18.0
71.05000	3.7
71.08652	2.3
75.04490	2.2
77.03909	1.4
79.05496	60.7
81.03437	3.0
81.07060	51.8
83.05006	3.7
83.08624	9.5
83.70879	1.2
85.06567	3.9
91.04900	2.1
91.05039	0.8
91.05486	68.2
93.07049	85.1
95.04981	7.8
95.08611	40.2
97.06550	3.9
97.10195	3.0
99.08121	3.8
105.07032	73.6
107.05036	1.8
107.08602	52.1
109.06551	4.7
109.10160	17.1
111.08112	2.8
113.09683	2.2
115.05480	1.9
117.07034	12.7
119.08588	54.8
121.06554	2.7
121.10149	36.8
122.52219	1.3
123.08113	3.6
123.11742	3.7
125.09663	2.0
128.06281	1.8
129.07013	9.7
130.07805	2.3
131.08588	23.8
133.10136	52.7
135.08102	2.0
135.11705	40.5
135.12733	2.3
137.09657	3.0
142.07777	1.5
143.08571	12.5
145.10135	26.0
147.08081	1.4
147.11700	51.4
149.09689	3.7
149.13260	20.4
151.11243	4.1
154.81027	1.3
157.10146	12.5
159.11702	26.1
161.13278	33.0
161.14627	1.8
162.68866	1.2
163.11195	3.4
163.14833	6.1
165.12872	2.5
169.10187	2.5
170.10910	1.2
171.11708	13.2
173.13252	10.4
175.11218	2.1
175.14835	13.7
177.12785	2.6
179.14394	3.1
185.13278	14.6
187.14925	3.2
189.12804	2.8
190.00853	1.3
191.14340	1.6
199.14873	7.4
203.14394	1.5
213.16525	3.5
231.17598	3.1
231.21107	7.3
241.19531	30.0
243.09155	3.2
259.20590	100.0
260.20963	2.3
277.21640	8.4
305.21121	1.5
333.17606	5.1
333.24539	2.3
351.19131	12.6
351.25522	49.7
352.25745	2.0
369.19775	4.0
374.20526	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.8
55.05513	17.3
57.03427	10.1
57.07073	2.9
67.05514	42.1
69.07076	15.6
69.41803	18.7
71.04986	3.2
73.89469	2.8
79.05499	74.2
81.07063	46.9
83.04984	6.5
83.08627	10.8
85.06567	3.5
91.04920	2.9
91.05488	53.5
93.07053	91.7
95.04951	3.5
95.08613	35.1
97.06534	3.3
97.10173	3.0
99.08078	3.3
99.86491	2.5
101.37021	2.9
104.79765	2.6
105.04470	2.8
105.07049	56.5
107.08601	47.7
109.06510	3.3
109.10146	13.2
117.07029	12.7
119.08593	41.0
121.10141	37.4
123.08035	3.4
123.11669	4.0
129.07013	7.1
131.08582	18.8
133.10133	47.5
134.36705	3.2
134.48473	2.7
135.11684	43.6
137.09727	2.8
143.08554	10.3
145.10120	21.4
147.11708	45.0
149.13289	20.8
152.58591	2.7
157.10117	11.3
159.11729	19.5
160.79654	3.0
161.13289	34.6
163.14847	10.5
171.11684	12.8
173.13257	11.8
175.14812	19.3
185.13229	13.8
187.14804	4.3
189.12776	3.7
189.16444	3.9
199.14825	6.8
213.16402	5.5
217.19434	5.0
231.21141	7.8
241.19548	35.6
255.47627	2.7
259.20593	100.0
260.20941	4.4
277.18613	2.9
277.21512	13.0
333.24265	7.7
350.03528	3.0
351.04712	4.5
351.21219	4.6
351.25372	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90007	3.1
53.03950	7.1
55.01870	5.0
55.05512	33.4
57.03442	29.2
57.07076	3.9
57.13865	3.2
57.20345	2.9
65.12692	3.7
67.05511	81.1
69.07077	28.8
70.54881	8.7
71.08632	15.8
76.63146	3.1
79.05068	6.7
79.05498	81.7
81.03404	3.9
81.07062	78.2
83.04977	10.7
83.08627	22.1
85.06556	6.1
91.05478	65.5
93.07053	100.0
95.04971	10.2
95.08613	57.2
97.06520	7.3
97.10198	3.9
99.08076	16.2
102.46645	3.7
104.06295	3.5
105.07035	73.7
107.08599	68.1
109.06541	6.5
109.10151	30.8
111.08170	3.9
117.07028	20.5
119.08589	55.1
121.10156	53.4
123.08102	3.4
123.11723	9.8
125.09629	3.8
129.07011	9.4
131.00079	4.8
131.08565	23.5
133.10141	51.6
135.08073	7.7
135.11705	46.9
139.11191	3.7
140.98462	8.2
143.08609	10.1
145.10107	25.9
147.04343	4.2
147.11702	47.4
149.09610	5.3
149.13258	25.0
151.11224	9.5
157.10098	8.3
159.11748	23.1
161.13274	33.0
163.11168	7.1
163.14813	5.9
167.95444	3.2
171.11749	12.8
173.13307	11.1
174.99036	5.3
175.14859	12.3
177.12820	5.3
179.14314	20.8
185.09560	3.8
185.13286	13.5
187.14850	11.2
189.00632	8.1
199.14868	11.7
207.11624	3.9
213.16490	5.6
231.21242	6.5
235.17010	3.7
241.19543	23.4
245.70320	3.7
259.20618	84.2
277.21646	30.9
304.04379	4.5
333.13605	12.1
333.24454	4.2
351.25476	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01869	4.5
55.05510	22.9
57.03441	15.6
57.07066	5.3
65.03932	3.7
67.05511	68.6
69.03447	2.5
69.07076	22.1
71.04992	3.9
71.08636	55.9
76.97890	2.5
79.05078	1.9
79.05495	53.0
81.03422	11.6
81.07063	65.9
82.26500	2.4
82.74471	2.4
83.04988	13.1
83.08627	13.6
83.09055	2.7
86.55986	2.2
91.04981	3.6
91.05492	43.3
93.06483	4.6
93.07049	71.3
95.04991	14.7
95.08607	46.6
95.60720	2.4
97.06525	7.6
97.10155	7.6
98.20625	4.9
99.08092	41.2
102.95978	3.0
105.07035	26.8
107.04942	7.6
107.08599	46.4
109.06537	5.1
109.10155	23.1
109.34286	2.6
111.08080	3.7
113.09706	3.1
114.82967	2.3
116.59053	2.3
117.07013	7.1
119.08578	25.2
121.10157	30.9
123.11690	6.9
125.09628	2.6
129.07043	4.2
131.08543	9.3
132.78574	2.3
133.10130	19.6
135.11713	43.5
137.09622	6.4
143.08585	3.0
145.10153	8.5
147.11702	12.2
149.13264	16.7
151.11206	16.2
157.10159	3.6
159.11707	5.7
161.13249	18.8
163.11150	6.5
163.14857	4.7
165.12787	6.8
167.10680	5.4
171.11649	5.2
173.11368	2.8
175.14845	3.7
177.12779	3.1
179.14316	100.0
180.14734	2.6
185.13348	2.7
189.12703	3.5
199.14778	2.9
228.88406	2.3
229.50883	3.2
235.16925	4.1
241.19547	3.9
259.20642	19.0
272.53424	2.3
277.21600	41.8
310.17606	3.3
351.21841	3.3
351.25412	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62498	1.8
53.03938	2.5
55.01856	1.6
55.05516	15.6
57.03439	5.2
57.07066	2.5
65.03965	1.9
67.05508	41.9
69.07067	11.1
70.78844	4.0
71.04993	3.3
75.04460	1.6
79.05496	60.8
80.45538	1.5
81.07058	50.8
83.04985	2.5
83.08619	6.9
85.06557	2.8
88.55239	1.7
91.05484	56.9
93.07050	73.9
95.04984	4.9
95.08614	36.7
97.06536	3.5
99.08124	3.6
105.04501	2.1
105.07035	59.1
107.08599	45.7
109.06542	2.5
109.10157	14.8
111.08109	2.8
113.09660	2.9
117.07005	14.1
119.08589	59.5
121.06483	2.0
121.10149	32.0
121.10947	3.1
123.01765	1.4
123.11743	3.5
128.06235	2.4
129.07014	8.8
131.08571	20.5
133.10139	49.3
135.08043	2.4
135.11703	36.5
137.09637	2.3
143.08549	11.6
145.10141	24.5
147.11703	54.2
149.09627	4.6
149.13275	22.1
157.10138	10.5
159.11720	21.8
161.09677	2.2
161.13264	35.1
163.11243	1.7
163.14833	7.4
169.10289	1.8
171.11699	15.5
171.60455	1.5
171.66373	1.7
173.13293	10.8
175.14874	15.4
177.12782	2.6
177.16501	1.8
185.13281	15.6
187.14882	2.8
189.12749	2.6
189.16548	2.0
191.14394	2.9
199.14801	9.7
213.16463	4.5
217.19635	2.1
231.17680	2.4
231.21149	7.4
241.19525	35.2
259.20584	100.0
260.21066	2.7
261.22229	1.8
277.21738	4.8
289.73331	1.6
333.23972	1.9
351.18991	2.9
351.25381	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.8
53.79789	1.7
55.05512	14.9
57.03420	6.4
57.07065	4.8
67.05508	36.2
69.07066	11.6
70.20181	4.3
70.20534	3.3
79.05493	55.0
81.07059	39.4
83.08614	7.6
85.06531	2.7
91.05483	57.2
93.07047	79.3
95.04971	4.2
95.08610	30.4
97.06564	2.5
99.08086	3.0
105.07036	55.0
107.08601	41.9
109.10159	8.1
113.00215	1.6
113.09646	2.1
115.05476	2.1
117.07034	11.1
119.07708	2.5
119.08585	49.1
121.09330	2.6
121.10151	35.2
123.11723	4.2
129.07001	8.8
131.08574	22.4
133.10136	43.3
135.11697	32.7
143.08562	7.7
145.10129	22.1
147.11685	46.5
148.36473	1.6
149.13243	19.9
151.11179	1.9
157.10110	8.3
159.11685	15.9
161.09456	1.7
161.13255	36.5
163.11209	3.7
163.14848	5.1
171.11650	14.3
173.13245	9.0
175.14822	16.1
177.12773	3.5
185.13268	13.9
187.14888	2.8
189.12811	3.1
199.14827	7.3
213.16383	2.5
215.18039	2.1
217.19568	3.2
231.17409	3.0
231.21051	6.8
241.19519	29.0
259.20587	100.0
259.61945	2.4
262.95468	1.8
277.21722	5.5
333.24216	2.7
351.25317	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06850	1.4
53.03930	5.0
55.01868	1.7
55.05514	19.1
55.49696	1.3
56.96553	3.8
57.03438	7.2
57.07053	3.1
57.76711	1.4
63.07182	1.4
65.03905	1.9
65.89079	1.4
67.05506	44.5
69.07067	13.3
70.68890	5.1
79.05495	51.5
79.35858	1.5
81.06599	2.7
81.07059	42.8
83.04983	3.5
83.08619	7.0
84.35946	1.7
88.75776	1.8
91.05486	52.5
93.07044	78.8
95.04976	5.0
95.08606	30.1
96.01662	1.4
97.06522	3.5
97.10140	2.6
99.08099	2.9
105.07030	61.2
106.07318	2.3
107.08595	48.6
109.06558	2.9
109.10175	15.0
113.09624	3.4
116.06248	1.6
117.07004	12.2
119.08584	57.6
121.06478	1.7
121.09335	2.3
121.10149	36.5
123.08005	3.0
123.11691	3.3
128.06187	2.3
129.06976	6.5
131.08575	20.8
133.10132	47.5
135.08055	2.7
135.11691	36.9
137.09550	2.1
143.08577	10.5
145.10117	22.4
147.11693	46.8
149.09633	2.7
149.13261	21.2
151.11194	3.4
157.10135	6.8
159.11725	19.4
161.13249	29.0
163.11208	3.2
163.14813	7.0
165.12720	2.5
166.74722	1.6
171.11674	16.7
173.13309	10.7
175.11113	1.8
175.14835	12.3
177.12730	2.9
179.14265	2.3
185.13303	12.9
187.14792	2.1
189.12819	1.6
191.04138	1.4
193.03206	1.4
199.14871	7.2
213.16344	4.9
217.15962	2.2
217.19572	2.0
231.17538	2.5
231.21167	7.7
234.88821	1.9
241.19504	27.5
243.08977	1.9
259.20575	100.0
260.20764	2.2
277.21625	7.0
333.17395	4.8
333.24301	2.3
351.18585	6.7
351.25494	48.5
369.19141	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2168
Annotation	Pedunculatic acid
Peak:m/z	Relative Intensity
55.05508	5.3
56.96561	2.2
57.07069	3.0
67.05495	8.0
69.07062	4.0
70.11357	5.6
70.78079	1.2
74.08200	1.4
79.05508	6.5
81.07072	7.9
83.04984	1.9
83.08651	2.1
89.02148	1.4
91.05495	11.5
93.07034	12.1
95.08624	10.0
95.93843	1.4
97.06546	1.2
97.10184	2.9
105.07041	13.1
107.08608	7.9
109.06567	1.5
109.10163	6.1
117.07048	6.4
119.08588	14.4
121.10170	7.3
123.11697	3.1
125.09668	1.7
127.72871	1.3
129.07022	2.8
131.08588	9.0
133.10132	11.1
135.08096	2.4
135.11700	8.5
143.08588	3.0
145.10155	11.6
147.11726	6.5
149.13251	6.0
152.29556	1.4
157.10127	2.5
159.11723	7.6
161.13272	6.6
163.07433	1.6
163.11200	3.0
171.11708	3.7
173.13290	4.9
175.14885	1.8
185.13280	3.8
194.43311	1.6
195.13727	1.6
199.11057	1.3
199.14832	2.1
209.11717	3.4
223.13271	4.7
229.19478	3.0
235.13239	2.9
241.19537	13.7
259.20596	8.5
269.19012	2.8
277.21902	1.7
287.19989	7.5
305.21118	100.0
306.21396	2.5
333.20432	1.5
351.21356	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	351.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33032	0.6
53.20137	0.7
55.01960	0.8
59.21825	0.6
67.05592	1.6
69.03523	1.3
69.44446	4.6
79.05590	1.7
81.03478	0.7
81.07154	1.5
83.05068	0.7
85.03007	1.5
86.09811	1.1
91.05611	2.8
93.06659	0.7
93.07175	2.4
95.01473	2.6
95.05090	1.2
95.08752	1.6
97.92289	0.7
105.07163	2.2
106.55314	0.6
107.05091	1.1
107.08739	1.9
109.10310	3.3
110.10618	2.0
115.05514	0.7
117.07108	0.9
119.08669	1.6
120.08221	1.6
121.03014	0.9
121.06557	0.8
121.10271	1.4
128.06381	0.8
129.07132	1.3
131.05080	1.0
131.08675	1.0
133.10258	0.9
137.06088	1.2
141.07036	0.8
145.06638	0.9
145.10210	1.4
147.04424	7.3
147.08136	1.0
151.72118	0.7
153.12871	1.7
154.13121	3.2
155.08615	0.7
157.10278	1.2
159.08180	1.2
159.11810	1.4
161.06091	0.9
164.13074	0.7
173.13422	1.3
177.12941	0.9
179.66086	0.8
185.13377	0.9
187.07574	0.7
189.07201	2.2
189.09218	1.8
190.07912	2.4
191.08678	1.4
199.07692	1.0
201.12901	1.0
202.07777	8.9
203.08524	4.8
205.06516	3.9
206.07373	1.6
215.08609	3.8
217.06586	1.8
218.07332	4.0
219.08026	7.9
220.08861	5.8
229.06609	2.7
230.07265	8.1
231.08047	13.1
231.10214	0.8
232.08896	2.5
233.05965	3.8
233.09619	1.5
234.06886	1.7
237.09233	1.5
242.07372	1.3
243.08258	0.8
244.08798	1.0
245.06105	2.3
245.09731	1.6
246.06741	5.0
247.07541	11.6
247.21916	0.9
248.08322	10.8
249.09186	2.6
251.17906	0.7
257.06171	0.8
258.06784	5.0
259.07574	10.2
259.13278	8.0
260.08304	6.5
261.05521	6.0
261.09116	2.8
262.06204	2.3
262.09875	1.2
263.10669	4.0
265.08685	3.3
273.06000	1.5
273.09097	18.0
274.06299	4.4
274.09512	0.9
275.07040	7.7
276.07834	21.1
276.10846	1.0
277.08569	6.9
278.05978	1.1
287.07050	2.2
288.07846	1.2
289.05069	4.1
289.08646	12.6
290.06146	1.5
290.09384	13.5
291.06866	0.5
291.10132	15.1
293.08063	5.9
301.08582	11.6
303.06439	1.2
304.07300	14.8
305.08081	10.4
308.10312	1.5
318.08847	2.0
319.09665	100.0
320.10413	14.8
323.12848	2.5
333.14389	1.0
336.09906	2.7
351.12222	40.6
352.12579	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2144
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
50.12889	0.5
67.05510	0.6
69.03451	0.5
69.38511	0.7
69.38920	4.0
69.43927	0.4
72.60435	0.4
91.05501	1.2
93.07013	0.8
96.27844	0.5
98.20725	0.9
109.10117	1.1
119.08575	0.8
167.92432	0.6
305.21262	0.5
333.20386	0.6
351.21432	100.0
352.21707	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.1
55.01874	9.5
57.03442	6.7
57.07079	5.5
61.02930	7.5
67.05511	4.3
69.03432	42.8
69.07073	4.8
69.33141	3.5
69.33543	20.1
71.05006	4.5
73.02924	4.7
81.03431	22.4
81.07069	6.1
85.02914	100.0
86.09737	2.5
87.00842	37.5
89.50437	2.3
93.07053	6.5
95.19408	2.3
97.02917	21.3
97.06523	4.7
97.80960	2.6
98.21554	5.0
99.04468	13.4
102.09192	60.3
105.01877	35.2
107.08617	6.4
109.02887	26.1
109.10146	5.3
117.01923	3.3
125.30351	2.3
126.81929	2.5
127.03932	56.6
128.22289	2.5
129.01895	3.8
135.11697	10.8
138.47295	2.5
145.04979	16.2
153.12747	6.0
159.02913	8.9
171.13823	6.6
189.03979	3.7
201.57672	2.4
231.05046	10.7
366.31137	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	350.2328
Annotation	Acetyllycoclavine
Peak:m/z	Relative Intensity
55.05493	0.8
60.04526	0.6
67.05502	1.5
68.05045	0.5
69.03431	0.6
69.07061	0.5
69.29117	0.9
69.29533	2.0
79.05507	1.8
80.05013	1.0
81.07065	3.0
82.06593	0.3
86.06081	0.6
91.05489	3.2
93.07050	3.6
94.06552	0.6
95.08609	3.1
97.06557	0.5
98.06057	0.5
98.21548	0.7
105.07040	3.7
106.06542	0.5
107.08606	3.4
108.08102	0.4
109.06519	0.5
109.10187	2.2
110.06049	1.1
112.07582	0.4
117.07004	1.2
118.09568	0.3
119.08609	2.8
121.06488	0.6
121.10173	3.1
123.11671	0.6
129.06956	0.6
131.08578	2.3
132.96307	0.4
133.06477	0.4
133.10170	3.3
135.08032	0.3
135.11687	1.4
139.11205	0.9
143.08575	1.5
145.10161	1.6
147.08047	0.6
147.11687	1.7
149.09651	0.4
149.13284	0.9
150.09117	0.4
157.10068	0.9
159.07994	0.4
159.11700	2.4
160.11162	0.3
161.09663	0.5
161.13286	1.4
164.10710	0.5
169.10130	0.7
171.11711	1.1
173.09677	0.4
173.13263	1.4
175.14879	0.4
178.08643	0.4
178.12276	0.9
179.10741	0.5
183.11784	0.8
185.13278	0.6
187.07603	0.5
193.12236	0.7
195.11723	0.7
197.13382	0.6
199.14859	0.7
201.16304	0.3
209.13330	0.7
218.12642	0.4
223.15012	0.4
225.16415	0.5
239.17992	1.0
241.19528	1.0
247.07671	0.6
251.18004	1.4
257.18900	0.7
260.16541	0.5
269.18985	1.0
275.06906	0.3
276.07663	0.7
285.18512	0.5
286.21680	7.5
288.23190	0.7
297.18594	0.6
302.21176	0.5
304.07373	0.5
304.22720	1.5
314.21179	1.4
319.09631	2.7
320.22342	0.8
332.22223	14.6
333.22565	0.7
338.72147	0.3
350.23288	100.0
351.12354	1.3
351.23709	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	351.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78647	1.6
55.51122	1.8
56.96563	19.3
57.03440	2.5
67.30296	1.6
69.03435	6.9
69.77456	8.5
70.06568	2.1
73.02914	2.2
79.00656	1.8
81.03419	2.5
84.08154	2.9
84.96041	4.4
85.02920	10.4
86.09688	1.8
95.05018	1.9
97.02905	7.0
98.97588	73.9
101.00883	3.7
103.00660	5.0
110.97577	12.7
112.07590	3.5
112.99146	2.3
115.00647	2.9
116.98615	25.1
118.08592	2.0
119.00116	1.9
119.01917	5.9
119.04932	2.0
120.01974	2.2
120.08101	3.0
121.01653	3.8
127.03936	3.2
128.98575	10.5
129.02126	1.7
129.10243	2.6
131.01906	2.1
131.04900	2.4
133.01682	3.7
133.03531	3.9
134.99675	3.9
137.06015	2.8
143.00180	6.2
143.01929	7.1
144.02103	4.5
145.01692	6.7
145.03526	4.3
146.99687	4.1
147.03268	7.8
147.04445	6.1
152.98688	2.0
155.01903	3.3
157.03545	2.0
158.99664	22.4
159.03275	2.3
161.01227	4.2
161.02986	5.2
162.03142	5.1
163.02750	5.4
165.04370	3.2
170.99667	7.1
171.01256	1.9
171.03220	2.5
173.02988	4.1
175.02795	4.3
175.04643	2.0
177.00716	16.9
187.02739	2.3
189.00781	4.9
189.04388	5.1
195.05168	2.5
201.02510	2.6
203.04063	3.5
204.04233	3.3
205.03812	2.5
207.05362	2.9
219.01715	19.3
221.05086	2.6
223.04848	3.6
229.06116	1.8
231.01752	2.3
231.05447	2.8
234.99057	4.9
237.02791	24.3
241.05656	2.4
243.05301	2.6
249.04308	5.6
255.03726	2.3
267.05533	6.4
288.10098	2.9
291.07648	18.9
309.08688	44.4
310.09082	2.5
310.40189	2.0
323.11874	1.8
351.10519	100.0
369.08813	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	349.274
Annotation	17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
51.69502	0.6
52.34147	0.6
53.03927	1.0
55.05516	7.2
57.03437	0.7
57.07084	4.7
60.07877	0.6
67.05502	6.4
69.03439	0.7
69.07071	13.3
69.57739	1.4
69.58146	3.6
79.05502	4.4
81.07059	9.6
83.04959	2.5
83.05402	0.6
83.08621	5.3
85.06550	0.8
91.05475	3.3
93.07050	9.9
95.08613	7.9
97.10192	0.7
98.21510	1.0
105.07053	5.3
107.08598	13.0
109.06508	1.8
109.10144	3.2
115.05381	0.6
117.07022	0.9
119.08598	8.7
121.06496	3.1
121.10136	7.9
123.08076	7.0
123.11692	2.5
131.08566	3.4
133.10153	9.3
135.08063	10.1
135.11703	4.8
136.08852	2.1
137.09644	1.4
143.08575	1.2
145.10104	3.5
147.11699	2.7
149.09610	5.3
149.13268	2.5
159.11729	2.2
159.92950	0.7
161.09599	0.6
161.13292	2.2
163.11229	1.8
163.14825	2.8
173.13248	2.3
174.58195	0.8
175.14870	3.8
177.12735	1.9
177.16409	0.9
179.14323	4.9
189.16452	1.4
191.14325	8.5
191.64839	0.7
203.17961	2.7
205.15831	0.9
215.17802	0.7
217.19260	0.7
219.17407	1.4
233.18927	1.1
247.20464	0.9
275.19977	1.6
275.27429	1.5
285.25641	1.3
289.21530	0.9
303.26834	12.0
313.25250	1.3
328.91403	0.7
331.26331	100.0
332.26639	2.9
349.27393	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
50.85728	0.5
53.03942	0.6
55.01867	0.6
55.05310	0.5
55.05517	5.8
57.03414	0.6
57.07080	3.8
67.05172	0.8
67.05510	8.4
69.03417	1.7
69.07078	7.1
69.17077	5.6
70.29390	0.5
71.04983	0.9
71.08615	0.5
79.05492	5.6
81.07058	11.0
83.04996	2.0
83.08611	2.3
85.06537	1.0
90.35582	0.5
91.05492	4.0
93.07050	9.2
95.08611	14.2
97.06522	0.7
97.10171	0.9
105.06402	0.6
105.07050	6.7
107.08597	15.2
109.06531	3.0
109.10168	4.7
111.08067	1.4
117.07014	1.5
119.08583	13.7
121.06540	1.0
121.10143	10.4
123.08085	9.0
123.11723	1.8
131.08548	2.7
133.10155	8.0
135.08051	7.6
135.11717	4.5
136.08832	1.9
137.09631	4.0
137.13269	3.3
143.08549	0.9
145.10098	3.9
147.11676	4.2
149.09633	5.6
149.13261	2.3
150.10414	0.8
151.14838	0.6
159.11740	1.7
161.13269	3.9
163.11201	1.4
163.14809	4.6
165.12701	3.2
173.13292	2.3
175.14833	2.7
177.12756	1.3
177.16479	1.1
179.14320	6.5
187.14946	0.9
189.16353	0.8
191.14333	6.4
203.17989	0.7
205.15901	0.6
205.94269	0.5
229.19530	0.8
257.18958	0.5
269.56836	0.5
275.20062	1.4
285.25739	1.9
303.26849	24.4
304.27014	0.7
304.81921	0.5
313.25272	1.5
331.26337	100.0
332.26685	2.6
349.27362	2.0
349.33990	0.9
357.45041	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.274
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01875	0.9
55.05523	4.4
57.03435	1.0
57.07080	4.0
67.05520	6.8
69.06742	0.7
69.07079	8.2
69.85439	3.2
71.05007	1.3
71.08633	2.4
79.05500	5.6
81.07061	11.9
83.08620	3.0
85.06536	2.3
89.06050	0.7
91.05476	2.6
93.07057	6.1
95.04969	1.0
95.08613	8.4
97.06551	1.8
97.10182	1.1
99.08094	1.0
105.07047	3.6
105.91154	0.7
107.08607	6.1
109.06532	14.9
109.10152	4.6
111.08065	1.4
119.08586	4.7
121.06589	1.2
121.10192	3.9
122.07272	1.0
123.08079	49.3
123.11694	1.2
124.08411	0.9
131.08583	1.5
133.10138	2.8
135.08084	4.5
135.11720	2.3
137.09628	2.8
145.10187	1.7
147.11702	1.5
149.13229	1.7
159.11722	1.8
161.13248	1.4
163.11334	0.8
163.12973	0.7
165.12752	1.4
167.14404	0.8
168.40073	0.8
179.14326	67.2
180.14534	0.7
193.15897	1.2
275.20169	2.2
288.90741	0.7
293.21112	9.0
331.26385	3.4
349.27417	100.0
350.27786	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.274
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.21795	0.4
55.05516	4.3
57.07072	2.0
59.05001	0.6
64.24420	0.4
67.05509	5.0
69.07072	8.2
69.44786	2.0
69.45213	1.4
71.04986	0.9
71.08633	0.6
73.06527	0.4
79.05497	3.4
81.07059	7.7
83.04975	0.7
83.08619	3.3
91.05489	2.2
93.07041	4.9
95.08614	6.7
97.06532	1.9
97.10169	0.6
99.08081	0.7
105.07030	2.7
107.08599	4.1
109.06526	12.5
109.10158	3.0
109.88300	0.4
111.08067	1.9
119.08598	3.4
121.06539	0.6
121.10152	3.2
122.07309	0.9
123.08079	60.2
123.11723	1.3
124.08427	0.5
131.08586	0.4
133.10153	2.4
135.08057	4.5
135.11716	1.1
136.08846	0.8
137.09599	3.3
145.10143	1.2
147.11694	1.9
149.09598	1.3
149.13271	1.3
151.11243	0.6
159.11691	1.2
161.13300	1.3
163.11098	0.5
179.12750	1.0
179.14328	20.2
233.19046	1.0
275.20074	1.0
289.25308	0.5
293.21140	15.6
303.26987	0.7
307.22739	1.5
331.26379	3.1
349.27402	100.0
350.27753	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05689	3.3
53.03949	9.0
55.01875	6.8
55.05511	27.3
57.03427	8.3
57.07076	5.1
57.56789	3.2
65.03938	5.0
67.05508	51.9
69.03430	8.7
69.07063	29.9
71.04975	7.5
71.51926	5.9
72.76234	3.0
79.05492	51.0
81.07058	70.3
83.04987	7.2
83.08620	10.8
85.06594	3.2
88.17179	3.1
91.05484	72.0
93.07047	88.4
95.04962	29.7
95.08611	64.8
95.19032	3.3
97.06544	13.9
99.08094	3.3
103.05453	5.7
105.07032	100.0
107.08591	67.9
109.06503	16.3
109.10175	46.8
111.08074	5.2
115.05439	4.4
116.06235	5.2
117.07017	23.1
119.08588	94.5
121.06535	10.2
121.10146	84.6
123.08073	19.5
123.11701	20.3
128.06218	9.6
129.07043	23.6
130.07814	7.5
131.08583	65.1
133.06531	3.9
133.10138	49.7
135.08049	12.5
135.11681	22.3
137.09618	5.9
141.07010	7.5
142.07784	17.9
143.08560	35.3
144.09392	12.3
145.10120	66.9
147.08093	7.5
147.11697	22.9
149.09595	10.8
149.13322	3.8
155.08539	15.5
156.09381	14.1
157.10143	48.2
158.10852	5.2
159.11673	32.4
161.09628	23.8
161.13264	11.2
163.11131	4.4
165.07019	7.2
167.08542	12.6
168.09273	3.6
169.06523	3.9
169.10127	24.1
170.10933	10.7
171.11682	25.5
173.13269	21.1
175.11218	6.9
175.14854	12.5
179.08600	7.0
179.14346	14.9
180.09364	4.1
181.10141	12.7
182.10971	6.1
183.11722	25.2
184.12503	5.1
185.13188	24.4
187.14830	16.4
189.12805	4.4
193.10173	4.7
194.10957	8.9
195.11775	15.0
196.12471	7.6
197.09641	3.3
197.13271	18.5
199.11293	3.3
199.14920	9.4
201.16315	5.7
207.11755	6.4
209.13242	22.6
210.13948	5.5
211.14806	12.0
213.12854	3.7
213.16422	5.6
219.17471	4.2
221.13249	7.1
223.14809	6.8
224.15660	4.0
225.16304	3.9
227.14348	13.6
227.17633	3.6
237.16432	5.5
239.18060	10.2
251.18010	5.1
253.19496	4.7
265.19562	6.0
266.20264	5.0
275.17468	5.5
275.20340	15.9
293.19040	6.2
307.20499	4.5
331.23877	3.8
349.24911	65.2
360.69003	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	349.2376
Annotation	Protomycinolide IV
Peak:m/z	Relative Intensity
51.82948	1.2
53.03940	3.6
55.01866	3.0
55.05270	1.3
55.05514	11.6
57.03443	34.6
57.07075	2.3
58.48817	1.1
59.05008	1.5
63.57828	1.0
65.03943	1.7
67.05511	31.9
69.07069	10.8
69.78889	4.5
71.04993	1.2
71.67135	1.0
77.93177	1.2
79.05498	34.9
81.03400	1.3
81.07063	29.5
83.04975	2.6
83.08631	5.0
85.06554	10.3
91.05489	45.7
93.07048	32.6
95.04969	5.2
95.08068	1.7
95.08615	23.2
97.06514	2.0
97.10163	3.0
99.04450	4.7
103.05439	1.9
105.06310	1.6
105.07030	28.6
107.04987	5.4
107.08605	21.3
109.06527	10.6
109.10178	9.8
111.08112	2.7
115.05444	1.6
117.07026	15.1
119.08587	26.9
121.06496	4.4
121.10152	10.1
123.08058	4.7
123.11665	2.3
129.06989	4.3
131.08586	23.0
133.10141	17.0
135.08064	4.3
135.11722	7.2
137.09625	3.3
141.07018	1.2
143.08553	5.0
145.10156	12.9
147.11719	7.7
149.09634	3.2
149.13269	2.0
153.12772	3.0
157.10109	3.9
159.11722	9.2
161.13269	3.0
163.11182	1.6
169.10176	1.3
171.11812	3.5
173.13254	4.8
175.14883	2.4
177.12833	1.8
179.08662	1.1
183.11732	1.8
185.13290	5.0
187.11160	1.3
189.12601	1.4
201.16400	4.4
203.14355	3.3
209.15399	1.3
219.17450	100.0
257.19037	2.2
275.20129	13.9
349.18005	2.4
349.24030	13.0
349.33954	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	349.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	2.7
53.03953	6.1
55.05514	22.4
57.03427	12.6
57.07071	4.5
63.13124	2.5
65.03949	4.4
67.05511	48.6
69.03451	6.5
69.07070	30.2
70.91199	7.2
71.04992	5.0
75.73424	2.8
77.05552	2.7
79.05499	54.1
81.07059	54.9
83.04966	6.8
83.08617	10.2
91.05484	52.6
93.06498	5.5
93.07050	64.7
95.04984	26.9
95.08614	44.3
97.06530	13.1
103.05470	4.4
105.07034	100.0
106.61168	2.8
107.04922	3.1
107.08599	57.5
107.20199	3.1
109.06531	15.5
109.10159	34.1
111.08115	4.1
117.07018	18.5
119.08588	77.9
121.06502	8.2
121.09332	5.3
121.10154	69.5
123.08076	11.8
123.11695	6.2
128.06190	4.2
129.06995	12.6
130.07823	4.9
131.08580	45.3
133.10144	42.8
135.08081	16.4
135.11710	18.8
137.09570	3.5
141.06987	5.3
142.07780	12.6
143.08557	27.1
144.09418	6.4
145.10138	49.3
146.07190	3.4
147.08044	7.9
147.11696	23.6
149.09616	14.4
149.13280	5.3
155.08592	11.5
156.09378	9.9
157.10132	39.7
158.10919	4.3
159.08034	7.3
159.11722	27.7
161.09648	14.8
161.13217	16.1
163.11171	4.6
167.06204	2.5
167.08585	3.6
169.10129	17.2
171.11684	17.1
173.09715	4.6
173.13261	16.5
175.11186	6.5
175.14825	11.5
179.08545	9.8
179.09949	2.8
179.14294	15.4
181.10144	6.6
182.10881	6.7
183.11681	14.2
185.13327	15.2
187.14827	13.0
189.12770	3.7
193.10196	5.3
194.10896	7.1
195.11745	13.6
195.13437	2.9
196.12527	4.4
197.13277	17.8
199.14824	9.1
201.12622	3.3
201.16418	4.8
207.11632	3.1
209.13293	16.4
210.14226	4.1
211.14835	6.9
212.11835	3.5
213.16455	5.0
221.13263	4.0
223.14835	8.3
225.16345	5.6
227.14299	6.6
233.13297	4.1
239.17944	5.9
251.17876	6.7
257.18909	5.0
265.19476	4.8
275.20175	18.6
281.16306	3.3
331.24265	5.4
349.24496	34.8
350.26675	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
50.80843	2.3
53.03941	7.7
55.01876	21.6
55.05517	34.0
57.03445	19.6
65.03943	3.2
67.05509	72.1
69.03426	2.6
69.06741	2.7
69.07074	39.5
69.82768	2.4
71.04983	6.5
71.51144	3.2
77.03918	3.6
77.24229	2.1
78.36139	1.9
79.05499	61.8
79.68680	1.8
81.03410	6.4
81.06593	4.1
81.07063	74.1
83.04974	8.5
83.08618	11.5
84.17497	1.8
85.06535	3.7
86.33952	1.9
91.05490	68.4
93.07050	63.3
95.01320	3.6
95.04972	10.4
95.08615	50.4
97.06540	23.3
97.10157	7.6
102.97476	2.1
103.05467	3.9
105.04514	2.2
105.07040	89.7
107.04974	18.9
107.08598	53.4
109.06551	11.2
109.10159	21.0
111.08082	3.2
114.72577	1.9
114.82130	2.2
115.05442	4.6
117.07025	27.9
119.08595	46.6
121.06511	7.6
121.10142	21.5
123.08054	5.8
123.11696	7.0
125.09629	9.4
128.06215	2.9
129.07007	8.4
130.07796	3.3
131.08571	42.0
133.06499	1.9
133.10135	50.5
135.08032	6.3
135.11697	16.0
137.09641	3.2
139.11147	1.8
141.07011	5.1
142.07782	2.6
143.08569	17.4
145.10136	89.4
147.11696	33.9
149.09625	21.7
149.13228	5.7
151.07515	2.4
151.11220	2.6
153.09148	1.9
155.08557	5.9
157.10123	15.2
159.11700	32.9
161.09639	4.7
161.13266	12.3
163.11142	13.8
165.12785	3.2
169.10114	10.8
171.10239	3.0
171.11662	18.7
173.13257	18.0
175.11147	4.6
177.12741	4.9
179.14294	5.7
183.11687	12.9
185.13220	4.4
187.07469	2.7
187.11186	4.9
187.14847	2.8
189.11197	4.4
197.13290	6.9
199.11172	4.5
201.12698	2.0
213.16406	2.4
217.12123	2.6
227.10632	3.9
229.19495	5.9
239.17967	15.0
247.20589	9.2
257.19034	55.2
265.21680	2.5
275.20081	69.3
331.22531	2.7
349.19812	34.1
349.23721	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.4
55.01856	8.9
55.05517	32.9
57.03439	48.0
57.07076	6.3
57.25465	3.0
65.03919	3.9
67.05177	5.0
67.05511	63.7
69.07069	45.9
71.04999	4.5
79.05496	100.0
81.03412	6.8
81.07057	90.0
83.04995	9.0
83.08620	15.9
85.06531	6.3
91.05482	74.6
91.77917	3.1
93.07048	73.8
95.04978	9.3
95.08611	47.4
97.06538	15.2
97.10172	10.3
99.08086	6.0
105.07035	76.0
107.04979	9.2
107.08598	81.9
109.06529	27.2
109.10160	19.2
109.92268	3.0
111.08085	5.0
117.07007	20.1
118.41764	3.3
119.08584	58.5
121.06528	9.1
121.10142	23.6
123.08080	48.9
123.11688	5.6
125.09653	7.1
128.06216	5.2
128.52687	3.5
129.07014	9.9
131.08562	28.5
133.10147	32.1
135.08046	9.7
135.11722	14.7
143.08557	9.1
144.09441	4.4
145.10123	29.2
147.08070	4.0
147.11703	26.1
149.09639	8.9
149.13293	5.4
157.10152	9.2
159.11702	24.8
161.13272	13.4
163.11176	8.2
165.12767	3.7
171.11653	6.0
173.13222	11.3
175.11174	4.7
175.14832	4.8
177.12828	3.8
179.14345	23.0
183.11707	5.3
185.13295	25.4
203.14307	12.8
215.14351	3.7
219.17429	6.4
229.19507	7.0
239.17932	8.3
247.20601	4.5
257.19040	20.0
258.91919	3.3
267.78387	3.6
275.20059	64.4
293.21094	10.6
349.23706	56.8
349.27420	66.4
370.25034	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
54.13118	0.8
54.39504	0.8
55.01870	2.7
55.05513	11.2
57.03439	41.3
57.07073	1.8
59.05005	1.2
65.03923	1.2
67.05505	27.6
69.03430	1.6
69.07079	8.2
70.32697	1.0
70.33034	2.9
71.04982	2.4
79.05494	30.5
81.07058	26.0
83.04982	2.5
83.08614	5.1
85.06549	10.1
86.92130	0.9
91.04905	1.8
91.05479	37.7
92.63154	1.0
93.07043	35.4
95.04969	3.6
95.08612	22.5
97.06548	3.1
99.04460	8.8
99.08076	1.3
103.05439	1.9
105.04521	1.0
105.07036	25.8
107.04948	4.5
107.08586	16.9
109.06525	9.0
109.10153	7.0
111.08075	2.4
113.06049	0.9
113.09678	1.0
117.07016	15.3
118.97429	1.0
119.08588	22.8
121.06508	2.6
121.10155	11.4
123.08073	4.1
123.11716	1.7
125.09628	1.1
127.11211	0.9
129.07016	3.3
130.07770	1.1
131.08577	20.8
133.10138	15.5
135.08070	3.7
135.11681	6.9
137.09604	3.5
141.07025	1.1
143.08594	4.2
145.10121	13.5
147.11690	6.5
149.09637	3.0
149.13248	1.3
153.12808	2.6
157.10175	1.9
159.11671	8.4
161.09692	1.3
161.13274	2.9
163.11168	1.2
169.10229	1.1
171.11754	1.0
173.13292	4.4
175.14833	1.5
183.11710	1.4
185.13266	4.8
191.93886	1.1
197.10063	1.0
201.16396	8.3
203.14372	4.4
209.15384	1.4
219.17444	100.0
220.17722	2.2
257.18982	2.5
275.20071	13.7
283.19150	1.1
302.04520	1.0
318.93658	0.9
349.19836	0.9
349.23804	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	349.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01871	2.7
55.05525	4.2
57.03436	1.9
65.03937	1.0
67.05504	10.2
69.03437	3.7
69.07083	5.0
71.04990	3.2
71.50970	0.8
79.05493	11.8
80.78011	0.9
81.03406	1.5
81.07062	12.9
83.04969	2.4
83.08626	2.2
89.06063	0.9
91.05489	14.7
93.07048	9.3
95.04990	6.5
95.08617	8.3
96.08139	1.8
97.02895	1.6
97.06519	4.2
99.04456	6.3
103.05494	1.9
105.07037	18.5
107.04967	2.0
107.08601	5.9
109.06528	3.5
109.10152	3.5
111.04359	0.9
112.07595	1.6
115.05458	2.1
117.07024	6.3
119.04977	1.9
119.08602	10.1
121.06522	3.1
121.10173	2.5
123.04458	0.8
128.06238	3.2
129.06998	7.3
130.07796	1.0
131.08589	9.6
133.06529	1.9
133.10130	5.5
135.08067	2.8
135.11691	0.8
137.05803	2.5
141.06978	4.7
142.07797	3.3
143.08563	7.6
145.06487	2.1
145.10126	10.1
147.08075	3.1
147.11711	3.4
149.05994	1.7
149.09653	2.8
149.13382	0.9
151.07544	1.3
151.11124	1.0
153.06984	2.0
155.08611	3.5
156.09344	4.5
157.06549	2.4
157.10139	6.5
159.08076	5.0
159.11664	5.1
161.05919	1.0
161.13277	1.7
165.07077	2.5
166.07779	2.3
169.06561	1.3
169.10130	1.3
170.07271	1.5
171.08055	1.7
171.11690	8.6
173.09668	3.5
173.13332	1.9
175.11156	1.5
177.09192	1.1
181.10114	8.2
183.08157	0.9
183.11713	1.9
183.52104	0.8
184.08879	2.6
185.09709	1.7
185.13402	1.6
187.07596	3.0
189.12730	2.5
197.13307	1.3
199.07802	1.2
199.11211	14.6
201.09148	1.0
203.10744	1.9
205.08643	1.2
209.09639	1.9
212.08167	0.8
217.12250	8.9
221.11551	1.5
227.10651	13.2
229.19585	1.6
239.18071	1.7
244.67632	0.9
245.11749	7.1
253.12901	1.1
257.19052	3.3
263.12784	2.7
273.18604	1.0
275.20068	4.8
291.16406	1.1
349.19916	100.0
349.23813	12.6
350.19955	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
54.34219	1.3
55.01871	4.7
55.05510	8.7
57.03436	3.7
65.02958	1.4
65.03948	1.9
67.05511	20.4
69.03420	5.3
69.07087	12.2
71.05006	2.6
71.37406	1.3
71.50243	2.1
79.05507	16.7
81.07063	20.9
83.04983	3.9
84.04553	1.5
90.24028	1.4
91.05498	20.9
93.07059	18.7
95.04991	6.4
95.08631	10.4
97.06548	9.3
98.97575	4.8
103.05406	2.1
105.07043	26.6
107.04944	3.9
107.08605	16.3
109.06518	6.4
109.10181	5.2
115.51266	1.4
117.07004	10.2
119.08591	14.1
121.02935	2.1
121.06524	3.5
121.10157	4.2
123.08081	1.7
125.09639	3.2
128.06250	3.8
129.07014	5.3
131.08575	16.1
133.10150	12.0
135.08084	3.8
135.11740	3.7
137.09586	2.1
141.07030	3.4
141.29730	1.8
142.07826	5.8
143.08572	11.3
145.06490	2.8
145.10146	21.1
147.08125	2.1
147.11691	7.3
149.09669	5.8
151.07442	2.2
153.07068	2.1
155.08588	5.7
156.09363	5.5
157.10153	13.9
159.08047	4.2
159.11702	6.4
161.09587	3.3
161.13185	3.2
163.11200	2.4
165.06973	2.9
166.07779	2.5
169.10153	3.5
171.11702	11.7
173.09683	3.9
173.13326	3.4
175.07623	2.3
175.11256	3.1
181.10158	9.4
183.11705	4.0
185.09692	5.7
185.13246	2.9
189.09142	2.8
199.11143	13.0
201.12773	3.3
203.10683	1.9
217.12279	5.7
227.10721	5.8
229.19598	2.0
239.17946	3.3
245.11765	8.2
257.19046	13.3
263.12946	2.0
275.20145	15.4
331.18732	2.1
349.19940	100.0
349.23825	19.7
350.20013	1.8
350.23764	1.9
367.14783	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	349.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.2
55.01877	11.8
55.05509	14.2
57.03450	32.0
62.10571	4.1
62.33365	3.7
63.74842	3.9
65.03951	5.1
67.05519	29.8
69.03432	29.6
69.07072	13.1
70.71674	8.3
71.04996	12.6
79.05504	57.1
81.03444	5.9
81.07048	29.7
83.05000	12.1
85.06540	6.0
87.11155	3.9
91.05484	81.0
92.30070	3.9
93.07053	54.2
95.04974	44.2
95.08602	28.6
97.06532	24.7
99.04458	44.3
103.05467	6.1
105.07036	95.8
107.04967	11.8
107.08611	35.9
109.06544	24.9
109.10173	12.2
111.04430	7.7
111.08062	5.6
111.19793	4.0
113.05996	4.6
114.90607	4.8
115.04597	4.0
115.05465	13.5
117.07028	42.4
119.05059	6.9
119.08599	48.9
121.06540	27.2
121.10155	14.0
123.08086	18.9
125.05991	10.4
128.06242	21.2
129.07019	37.8
131.08578	45.5
133.06500	23.4
133.10146	30.0
135.08063	13.2
135.11702	4.6
137.06000	10.7
137.09648	5.0
141.06995	13.4
142.07785	30.3
143.08604	50.1
145.06528	10.0
145.10121	46.6
147.08075	17.4
147.11726	9.8
149.06033	8.0
149.09631	11.0
151.07568	8.8
155.08601	11.3
156.09348	32.3
157.06558	8.4
157.10135	53.8
158.07233	7.8
159.08076	23.1
159.11705	12.9
161.05981	10.6
161.13303	8.9
163.11150	4.5
165.07001	13.8
166.07771	27.8
167.92802	4.4
168.09346	6.5
169.06502	8.8
171.08031	6.8
171.11716	100.0
173.09621	13.9
173.13303	9.5
175.07596	11.5
175.11229	17.3
181.10117	38.6
183.08069	5.0
183.11705	14.0
184.08896	16.8
184.12077	5.2
185.09654	18.2
187.07593	6.2
189.05492	9.8
189.09210	5.7
189.12737	10.4
194.07233	5.1
199.11203	99.0
201.09137	6.5
201.12807	7.5
203.10651	6.6
209.09677	21.9
217.12257	76.5
219.17464	57.9
227.10696	66.0
241.36006	4.4
245.11737	41.3
257.19009	7.1
263.12823	5.7
275.20099	9.9
349.24054	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	349.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00210	1.2
53.03946	2.5
55.01875	2.3
55.05511	4.8
57.03444	1.8
61.00055	1.4
65.03914	2.2
67.05501	10.4
69.03437	6.3
69.07063	3.9
69.32204	1.4
71.04992	6.0
71.49929	1.4
79.05504	14.6
81.07059	11.9
83.04977	3.0
83.08578	1.6
91.05486	18.3
93.07056	10.6
95.04984	9.9
95.08624	9.4
97.02865	1.8
97.06531	5.5
99.04443	11.9
103.05467	4.0
105.07043	23.1
107.04945	3.1
107.08588	9.6
109.06561	4.1
115.05484	3.8
115.74608	1.4
117.07056	8.0
119.04943	5.0
119.07848	1.6
119.08577	9.5
121.06544	4.3
121.10176	4.4
122.77295	1.5
123.08114	3.2
123.67365	1.4
128.06226	6.6
129.06998	13.0
131.08566	12.6
133.06502	4.6
133.10144	6.0
135.04393	2.2
137.05843	4.4
137.09673	1.5
141.06998	7.0
142.07805	8.0
143.08548	12.0
145.06522	3.1
145.10178	12.8
147.04402	2.3
147.08081	4.6
147.11687	3.0
149.06035	2.1
149.09731	3.1
151.07581	2.4
153.07031	3.7
154.07710	1.4
155.08583	10.0
156.09410	7.7
157.06546	2.7
157.10150	13.0
158.07216	1.5
159.08096	10.7
159.11725	5.0
161.06020	1.7
161.09630	1.4
165.05600	1.3
165.06995	6.8
166.07820	5.7
167.08545	1.7
168.09436	1.8
169.06468	2.6
169.10135	2.0
171.08101	4.3
171.11703	18.9
173.09657	5.5
173.13312	2.4
175.07568	3.8
175.11316	2.0
181.10136	15.0
183.08121	2.0
183.11723	2.4
184.08890	4.6
185.09686	5.1
187.07564	9.3
189.12801	2.9
199.11182	33.3
201.09193	1.5
201.12755	2.1
203.10751	3.3
205.08662	5.1
209.09634	3.8
217.12247	17.6
227.10672	26.7
245.11757	12.0
257.19165	2.7
263.12866	5.9
275.20111	2.5
339.45453	1.4
349.19916	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	17.6
57.76915	7.3
63.79847	9.4
67.05493	21.9
69.03439	38.0
70.19095	35.0
71.04993	12.7
74.34363	7.6
79.05475	36.4
81.03436	16.7
81.07072	36.0
83.04996	21.7
91.05500	46.6
93.03352	9.0
93.07053	40.7
95.04962	35.1
95.08642	13.9
97.02891	12.7
97.06516	16.7
98.20796	9.8
99.04465	34.1
101.89738	8.4
105.07034	88.5
107.04951	17.5
107.08615	8.3
109.06531	12.0
111.04436	9.0
115.05451	15.6
116.06266	10.2
117.07029	34.4
119.04948	13.0
119.08572	31.0
121.06506	17.7
121.10181	11.6
123.08065	9.5
125.09631	9.3
125.90534	8.7
128.06219	26.2
129.07021	36.0
130.07716	8.5
131.04985	9.0
131.08586	43.6
133.06589	18.4
133.10086	8.3
135.08090	13.9
141.07033	18.7
142.07770	33.9
143.08575	59.1
145.06514	22.4
145.10156	48.4
147.04358	8.3
147.08075	10.3
149.06015	11.5
149.09669	15.2
151.07521	13.7
153.07063	10.9
154.07686	8.4
155.08548	25.7
156.09367	23.1
157.06488	25.9
157.10191	40.0
159.08087	35.6
159.11722	12.2
165.07034	16.2
166.07776	32.2
167.08507	8.3
169.06335	10.2
169.10136	13.3
171.08057	17.5
171.11729	53.1
173.09662	24.2
175.11131	8.7
179.08525	11.2
181.10110	56.5
183.11716	9.2
184.08878	18.7
185.09651	24.0
187.07544	22.9
189.24159	7.4
197.09624	12.5
199.11211	89.0
203.10753	17.6
209.09685	21.6
215.10738	14.6
217.12326	37.3
227.10651	100.0
244.54568	7.6
245.11751	36.8
263.12820	24.2
349.16672	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.7
53.32117	4.2
55.01863	13.7
55.05500	5.8
61.61566	3.7
65.03935	7.3
67.05511	23.5
69.03437	23.9
70.57314	13.5
71.04999	26.1
79.05500	35.0
81.03430	8.3
81.07075	28.6
83.04971	13.2
85.02889	6.3
91.05484	57.9
93.03395	5.9
93.07056	27.4
95.04980	47.4
95.08629	5.9
97.02885	9.0
97.06521	6.2
103.05459	7.5
103.38658	4.7
105.07040	47.9
107.04984	22.7
107.08622	4.8
109.06512	18.1
111.04514	5.4
115.04002	5.7
115.05450	19.5
116.06226	7.2
117.07008	36.2
119.04948	5.5
119.08564	18.4
121.06489	40.4
123.04433	13.0
123.08067	7.9
128.06216	42.9
129.06998	41.7
130.07756	9.6
131.04974	4.9
131.08598	32.1
133.06517	21.0
133.10089	5.2
135.04430	9.5
135.08122	4.7
137.05991	7.0
141.06996	38.1
141.23955	4.0
142.07797	18.7
143.08563	55.1
144.09361	6.3
145.06499	21.1
145.10129	17.4
146.07243	5.1
147.04420	6.8
147.08015	13.6
152.06178	5.9
153.05444	15.4
153.06985	22.1
154.07784	55.1
155.08553	38.3
156.09319	7.9
157.10118	18.3
158.07240	10.0
159.08028	15.0
159.11710	12.1
161.06033	6.5
161.09483	9.3
165.05508	5.6
165.06964	11.3
166.07820	6.5
167.08536	20.7
168.58783	4.0
169.06497	6.6
169.10129	100.0
171.08086	32.0
171.11711	9.6
172.08896	6.2
173.09686	30.0
175.07558	12.3
178.07745	8.2
179.08537	19.6
181.06419	5.1
182.07256	19.4
183.08063	8.4
184.08766	4.6
185.09592	36.2
187.11156	18.0
189.09126	8.4
197.09625	76.7
199.07507	6.5
199.11215	8.0
201.09172	12.1
213.09131	15.8
215.10699	74.4
225.09065	28.2
231.10132	11.6
232.81830	4.9
233.11697	19.8
243.10161	42.2
261.11234	94.2
271.87637	4.6
349.16409	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.5
55.01879	9.6
55.05515	53.9
67.05525	9.9
69.03436	6.5
71.04996	5.6
71.50665	9.0
79.05497	13.2
81.03415	6.2
81.07070	16.6
83.04986	71.8
86.06082	5.9
91.05469	42.1
93.07049	10.9
95.04980	26.9
95.08632	9.1
97.02933	5.7
105.07038	26.8
107.04971	12.4
107.08622	8.5
109.06513	18.6
109.10153	5.6
112.74503	4.3
115.05466	13.5
116.49125	5.0
117.06969	20.9
119.04944	5.1
119.08609	15.7
121.06490	28.6
123.08128	6.6
128.06216	26.5
129.06978	30.3
130.07816	5.9
131.04947	7.2
131.08580	16.5
133.06522	16.3
133.10153	6.6
135.04491	7.5
137.05975	4.8
141.06969	25.8
142.07780	23.6
143.08585	44.1
144.05713	7.1
145.06473	37.8
145.10127	16.3
147.04402	5.8
147.08034	14.5
149.84270	4.4
152.06235	6.3
153.07036	10.2
154.07741	24.9
155.08574	28.9
156.09441	5.4
157.06496	21.5
157.10112	23.1
159.08102	23.5
159.11668	11.6
161.05988	15.2
161.09579	22.2
165.07033	8.1
166.07797	7.7
167.08591	12.3
169.10118	37.3
170.07274	8.6
171.08066	20.5
171.11749	6.6
173.06001	6.5
173.09596	20.6
175.07610	6.5
178.07698	5.1
179.08556	7.9
181.10156	13.8
182.07346	5.6
183.08058	6.9
183.11717	5.7
185.09631	100.0
187.11188	26.8
189.09129	10.6
195.08022	9.4
197.09662	26.8
198.11218	5.3
199.11278	20.3
201.09235	6.0
203.10699	14.9
213.09116	38.8
213.53641	4.3
215.10715	22.3
217.12289	4.7
225.09134	16.3
227.10672	18.2
231.10172	57.7
233.11708	10.1
243.10097	14.3
249.11331	5.7
261.11227	25.5
276.20526	5.1
303.10992	4.1
349.16580	19.0
349.20361	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	348.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10695	3.5
52.16940	3.6
56.05042	23.8
56.96553	11.9
57.03431	4.3
60.04504	5.5
61.01134	12.0
61.02909	7.1
65.03946	18.8
69.03441	24.6
69.07056	6.9
70.06595	100.0
71.50089	4.0
71.50479	5.7
72.08159	5.7
73.02930	4.2
74.06067	10.7
81.03410	8.9
84.04495	6.3
84.08124	10.0
85.02897	41.3
86.09705	47.7
88.03989	12.4
93.03392	21.5
97.02873	18.1
98.05997	4.9
98.97572	14.4
104.05328	27.4
109.02880	8.2
111.04450	17.4
112.07625	4.7
114.05503	5.9
116.98621	7.8
120.06602	6.0
121.02879	6.2
125.05973	25.5
126.05533	8.0
127.03929	6.1
129.10193	5.1
136.06219	38.3
144.06607	5.6
145.04959	8.5
147.04524	7.9
149.06285	4.0
151.03879	17.0
156.10236	5.2
169.04965	69.6
189.08780	5.6
201.10585	7.3
201.12318	46.5
217.11798	50.2
219.01805	6.7
237.02783	4.9
243.01447	4.4
261.02728	5.6
299.07629	4.2
348.16183	14.8
349.09027	17.9
365.05350	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	348.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	40.1
67.05511	100.0
69.07057	15.6
70.11475	51.6
71.04996	25.2
79.05498	41.2
81.07052	51.5
83.08602	24.8
91.05472	28.3
93.07056	41.6
95.08601	16.1
97.06502	18.4
97.10155	14.2
107.08586	32.8
109.10151	66.3
119.08604	25.5
125.09657	13.6
125.50787	11.1
125.77920	13.1
127.11225	49.1
128.11508	34.3
131.08598	16.3
138.07950	12.7
145.10147	16.7
149.13252	21.3
155.10674	24.1
157.10095	43.0
159.11679	17.8
166.07741	23.1
167.08614	20.7
168.09413	17.8
173.11746	81.5
181.10115	78.2
183.11717	21.4
187.32076	12.1
195.13823	44.8
213.14925	28.0
227.10611	13.1
237.36105	11.2
240.44495	12.6
277.21652	39.3
295.22711	18.6
304.19778	20.7
334.13977	15.2
349.10947	23.0
349.19650	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	347.258
Annotation	6beta-Hydroxy-18-acetoxycassan-13,15-diene
Peak:m/z	Relative Intensity
53.03936	5.1
55.01872	4.8
55.05514	21.3
57.07071	10.1
60.89141	3.1
67.05502	35.0
69.07066	48.5
69.72179	3.6
69.84946	17.0
70.06600	6.6
71.04991	5.3
79.05482	20.2
81.07053	56.7
83.08615	11.5
86.63717	3.2
88.07627	8.1
91.05494	33.6
93.07050	42.0
95.04962	5.5
95.08608	43.1
97.06515	5.8
97.10180	6.2
98.20859	6.4
102.09173	6.6
105.07036	100.0
107.08601	47.3
107.89770	3.2
109.10168	35.4
111.11743	31.3
117.07018	11.2
119.08604	41.4
121.10162	25.0
121.10894	4.1
123.08099	3.8
123.11723	9.5
125.09632	5.1
127.11198	15.0
128.06248	4.5
129.06961	6.8
131.08568	28.3
133.10159	40.9
135.08026	5.4
135.11703	31.3
137.61781	3.0
139.11201	4.0
142.07799	3.8
143.08582	16.4
145.10138	41.7
147.08037	5.2
147.11684	23.2
149.09651	4.0
149.13263	9.2
155.08426	3.5
157.10187	17.7
159.11713	36.1
161.09607	5.9
161.13264	64.5
163.14888	4.5
165.01926	3.1
171.11699	18.4
173.09750	3.6
173.13277	21.7
175.11063	4.6
175.14862	14.1
177.16411	4.1
185.13235	20.3
187.14839	12.4
189.12749	7.8
189.16435	9.7
196.30856	3.0
197.13293	3.3
199.14853	28.2
201.16383	6.0
203.17920	3.5
213.12943	4.4
213.16423	23.5
217.08737	5.4
217.12315	18.1
224.43478	4.6
227.17900	7.6
229.19624	5.7
241.19344	4.9
259.24356	4.3
261.14798	16.4
269.19940	5.7
269.22675	82.4
269.25613	5.6
285.18472	7.0
285.29761	16.9
287.23651	28.8
303.19537	11.0
329.24670	5.7
347.22079	20.6
347.25888	27.2
347.33524	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	347.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.01870	4.6
55.05509	10.9
57.03436	5.0
57.07064	8.8
63.26086	1.8
67.05508	16.9
69.03409	5.7
69.07069	16.8
70.06596	15.7
71.05000	24.4
71.06927	3.3
71.08637	1.9
79.05511	16.0
81.07063	16.0
83.04976	7.6
83.08623	2.2
85.06533	2.9
88.07648	15.7
89.07964	4.3
91.05492	20.6
93.07052	15.7
95.04964	14.5
95.08619	15.3
97.06545	14.1
99.08086	2.9
102.09168	11.2
103.05457	3.7
103.09457	3.9
105.07036	32.9
107.04956	4.9
107.08614	26.0
108.73695	2.1
109.06561	9.6
109.10160	13.6
117.07016	7.6
119.08580	25.3
121.06522	11.6
121.10183	12.8
123.08069	16.2
123.11694	3.5
125.09631	7.8
127.11209	43.5
128.06248	5.1
128.11522	3.1
129.07016	9.4
131.08582	14.0
132.14697	2.1
133.06519	4.2
133.09357	2.0
133.10152	17.6
135.04411	3.4
135.08073	13.5
135.08955	2.7
135.11664	4.1
137.09634	9.1
141.07027	2.5
142.07742	6.7
143.08559	15.8
145.06483	3.8
145.10117	13.4
147.08023	14.3
147.11687	8.7
149.06035	2.9
149.09587	9.9
151.07541	5.0
151.11179	3.5
155.08545	4.7
156.09346	9.4
157.10149	10.9
159.08075	7.1
159.11668	7.3
160.08852	3.1
161.06042	3.6
161.09621	11.6
161.13293	15.2
163.07510	4.0
163.11122	3.8
165.06905	2.8
165.09138	10.3
167.08598	3.3
169.10139	7.5
169.46259	2.2
171.08063	4.5
171.11678	15.1
173.09599	7.9
173.13274	8.8
175.07550	3.5
175.11212	6.5
177.09142	9.3
179.07060	4.6
179.08553	2.3
179.10648	4.0
181.10112	2.4
182.10965	3.8
182.36261	2.3
183.11690	5.5
185.13170	4.7
187.11212	6.8
187.14879	5.0
189.09131	3.2
189.12781	33.5
191.07040	4.5
191.10732	2.9
192.09465	2.3
193.10089	3.8
195.11667	2.9
197.13239	7.4
199.11198	13.6
201.12820	3.5
203.14204	2.8
205.12216	3.3
207.11833	3.0
211.09633	3.3
211.14874	2.7
213.12729	5.9
215.10655	4.1
215.14378	14.9
217.08754	18.3
217.12231	55.4
221.13289	3.0
223.14908	3.1
225.12677	2.8
227.10664	3.1
227.14294	3.1
231.10107	7.9
231.13763	9.2
233.15408	4.9
235.14935	2.3
243.13824	3.8
257.18985	5.4
259.13272	11.6
259.17041	3.1
261.14871	68.8
263.17886	2.1
267.17438	5.0
275.20154	5.6
284.29565	7.8
285.18524	25.9
285.29828	41.3
301.21561	2.4
303.19550	40.2
305.13834	6.7
319.22681	6.7
329.21042	12.7
347.18454	21.2
347.22345	56.7
347.33499	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	2.7
67.05511	2.4
69.70139	4.4
69.70528	3.5
70.33366	1.9
71.04995	30.9
81.07069	2.1
83.08624	1.6
84.60294	1.7
91.05450	2.4
93.07057	1.7
95.08562	2.4
98.20856	3.1
109.10153	2.9
116.07130	1.5
117.75076	1.5
119.08520	1.5
121.06528	4.3
127.11196	100.0
129.68085	1.5
131.08580	2.1
159.08002	2.4
171.71899	1.8
173.09578	2.1
177.09106	6.2
189.09076	3.4
203.10675	5.4
217.12100	2.8
229.12233	5.1
243.13840	1.9
254.02762	1.7
285.18515	10.9
303.19528	18.7
329.21017	3.2
347.22003	3.4
347.25992	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	347.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49612	1.6
55.05499	7.2
55.41272	1.6
57.07070	7.3
67.05497	2.9
70.06596	11.4
70.60155	4.1
70.60554	3.8
71.04990	5.8
71.06933	4.3
71.08597	3.3
79.05481	3.3
81.07076	3.0
83.04972	4.3
88.07633	17.9
91.05470	4.6
93.07052	3.4
95.08597	2.4
102.09177	9.6
103.09510	3.6
105.07014	5.2
107.04956	3.4
107.08566	3.2
121.06460	2.9
121.10162	2.1
127.11196	11.9
128.06227	4.8
129.07021	3.3
131.08566	3.0
141.07063	2.5
142.07697	1.7
143.08563	9.9
145.10158	8.7
153.05438	2.8
153.06960	1.8
153.71692	2.0
157.10162	2.5
159.11722	5.3
161.09576	3.7
168.09395	4.7
169.10156	2.2
171.08047	2.8
177.09035	2.4
183.11688	8.5
185.13283	3.0
187.11229	5.2
189.09152	4.1
193.10144	2.0
201.12688	3.1
211.11157	4.1
213.12801	2.2
217.12224	2.3
229.12231	11.5
232.58185	1.9
255.16078	2.8
261.14856	3.4
284.29483	5.0
285.18781	2.8
285.29825	34.5
303.19632	3.3
329.32373	3.6
347.22302	4.2
347.33511	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2217
Annotation	Viridinol
Peak:m/z	Relative Intensity
67.21842	1.8
69.68921	10.7
71.04998	30.8
73.55083	1.6
74.83607	1.8
81.59082	1.8
90.73393	1.7
109.10179	2.1
121.06484	3.4
124.05929	1.6
127.11198	100.0
155.08539	1.9
159.08023	2.3
177.09128	6.1
183.33258	1.7
189.09180	4.0
203.10648	2.8
206.23126	1.7
229.12283	7.1
243.13904	2.5
285.18460	8.2
303.19522	18.3
312.91620	2.0
329.21225	2.5
347.21854	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86121	0.4
53.03945	1.1
55.01868	1.3
55.05511	1.3
56.05033	0.8
58.06601	1.0
67.05514	7.2
69.03421	1.3
69.07069	6.4
70.06599	2.3
70.48863	0.8
70.49261	0.9
71.04983	1.3
79.05494	1.7
81.07063	2.8
82.06588	0.5
83.04951	0.5
83.08633	0.4
84.08163	0.9
87.04461	0.5
91.04975	0.4
91.05489	1.7
93.07054	2.6
94.06567	0.9
95.04949	0.6
95.08618	6.4
96.04488	1.3
97.06527	1.2
99.05576	4.9
105.07035	0.6
105.30192	0.4
107.08600	0.5
108.08102	1.0
109.10165	7.0
110.09711	2.0
111.05579	3.7
111.11740	0.9
113.07171	0.5
119.08542	2.1
121.02885	1.0
124.11301	0.5
125.07112	1.1
126.12816	1.3
133.04955	0.6
134.09674	1.2
136.11229	7.2
137.05977	1.1
137.07101	1.5
137.09612	1.5
146.89633	0.4
151.08669	0.7
151.12302	2.1
152.10612	0.6
153.10191	0.8
154.12256	4.3
161.05919	0.5
176.94174	0.4
178.05032	0.5
179.11816	28.6
186.09087	0.4
194.21086	0.5
196.51534	0.4
197.12869	100.0
198.13200	1.2
199.08711	1.0
213.06691	0.6
213.10271	0.9
215.13939	10.6
227.08141	1.4
229.09843	0.6
241.09743	0.7
255.07669	1.2
255.11331	0.9
269.09174	1.2
273.08765	1.0
283.10779	3.0
283.16434	1.6
287.10501	0.8
293.09225	1.3
301.12097	0.6
301.17642	4.2
311.10306	5.1
311.15848	0.9
329.11325	9.8
329.17072	27.5
330.17111	0.4
347.12384	12.9
347.18109	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	347.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.4
53.22888	7.6
55.01867	22.5
55.05512	14.2
65.03941	7.9
67.05499	22.7
69.03419	32.1
69.07070	11.2
71.04984	12.3
71.51008	8.0
71.51376	7.4
74.88200	8.4
79.05484	21.5
81.07052	23.1
83.01338	39.0
83.04978	26.2
83.33559	7.3
83.42936	6.9
91.05495	58.5
93.07033	30.1
95.04988	46.9
95.08612	17.3
97.06541	10.2
103.05481	10.2
105.07037	60.3
107.04955	20.7
107.08554	11.9
109.06546	8.3
111.00777	11.1
115.05457	27.7
117.07043	44.3
119.04939	21.5
119.08609	36.8
121.06506	28.2
123.04473	11.1
123.08099	15.2
128.06215	67.3
129.07008	84.1
130.07799	11.0
131.04999	8.2
131.08572	44.5
133.06502	15.0
135.04424	16.4
137.06050	9.0
139.88783	8.0
141.06979	47.2
142.07793	59.5
143.08557	100.0
145.06508	33.1
145.10101	25.0
146.07350	9.4
147.04431	14.0
147.08052	20.2
152.06229	37.3
153.06985	33.1
154.07782	56.4
155.08531	25.7
157.06528	24.1
157.10120	36.7
158.07262	9.9
159.08142	36.0
159.11700	8.4
161.09697	10.9
165.07050	20.9
166.07753	8.1
167.08578	59.4
169.06438	19.0
169.10112	59.8
170.07277	22.3
171.08060	40.5
173.05960	14.5
173.09641	20.8
175.07526	15.0
179.08572	21.0
182.07231	20.5
183.08093	12.2
183.11615	12.2
185.06058	8.6
185.09636	71.7
187.07553	11.4
187.11143	28.7
189.09125	8.1
189.12749	8.7
195.08040	38.5
197.09639	61.7
199.07777	15.0
201.09019	9.9
202.60034	7.9
203.07036	31.8
213.09125	97.6
215.10620	44.5
223.07593	10.2
225.09189	27.2
231.10194	10.0
241.08635	63.2
243.10187	33.3
249.07698	10.2
259.09720	24.9
261.11218	22.8
347.07358	18.4
347.14850	18.3
347.18646	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	347.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.8
55.01862	15.1
55.05527	10.7
55.09846	4.2
56.96572	4.4
65.03944	9.4
67.05493	19.4
69.03435	34.7
69.07059	5.5
71.04984	13.2
71.51355	5.5
73.90633	4.4
79.05492	27.5
81.07066	22.7
83.04998	11.3
91.05489	43.6
93.07046	33.9
95.04955	12.6
95.08596	13.6
97.06538	17.8
103.05428	6.9
105.07033	56.0
105.63602	4.6
107.04947	16.9
107.08583	18.0
109.06516	13.5
111.08091	5.7
115.05450	18.6
117.07001	24.0
119.04913	8.8
119.08569	18.5
121.06574	30.6
123.00764	5.6
123.04418	10.2
123.08080	26.6
125.75828	5.7
127.11196	30.3
128.06239	30.0
129.07024	33.3
131.04912	6.8
131.08557	32.5
133.06488	11.3
133.10052	5.8
135.04437	14.0
135.08092	5.5
141.06984	41.0
142.07776	24.5
143.08577	42.4
144.09258	6.8
145.06479	31.3
145.10126	25.3
147.08047	19.0
149.05998	6.5
151.07506	9.0
152.06209	7.8
153.06999	18.3
154.07793	57.4
155.08614	23.3
156.09322	11.4
157.06508	8.5
157.10106	30.8
158.07301	10.0
159.08080	11.1
159.11716	15.2
161.09564	5.9
165.07021	16.4
166.07730	11.9
167.08563	22.4
169.06520	6.5
169.10132	100.0
171.08031	19.8
171.11714	10.9
172.08849	11.0
173.05959	15.6
173.09711	26.3
175.07530	33.5
177.09084	6.0
179.08553	19.7
180.32858	4.6
181.06326	4.7
181.10162	7.7
182.07306	22.0
183.08028	10.7
185.09599	20.0
187.07564	8.3
187.11240	39.9
189.09166	5.4
192.26166	4.3
195.08118	6.7
197.09648	88.3
199.11252	9.4
201.09169	16.9
203.07056	70.6
209.13139	4.6
213.09087	28.4
215.10686	72.5
221.08072	15.5
223.07520	6.8
225.09105	52.9
231.06483	12.7
243.10173	57.0
249.07553	15.0
261.11237	13.5
265.12207	9.3
272.07718	4.9
283.13364	12.8
285.18475	6.0
301.14255	7.5
303.19693	5.8
310.42120	5.0
311.12738	10.4
315.05170	4.8
317.02872	11.0
329.13861	13.5
347.07608	16.5
347.11078	7.2
347.15015	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	347.1323
Annotation	Nordercitin
Peak:m/z	Relative Intensity
52.06532	0.8
55.01883	1.4
55.05517	4.4
65.03958	1.2
67.05511	2.2
69.03430	3.9
69.07046	0.8
70.06593	1.9
71.08797	0.7
79.05481	1.2
81.03400	2.1
81.07059	1.6
83.08624	1.4
84.04502	1.1
84.08141	1.8
85.02917	4.9
86.09706	3.5
87.10031	0.9
89.13524	0.8
91.05507	1.5
92.05011	1.9
95.04996	1.1
95.08623	1.4
97.02895	3.2
105.07002	1.1
107.08624	1.8
115.03936	2.6
120.04514	1.0
120.08109	1.9
121.02930	1.2
121.06554	0.9
127.03951	1.1
129.10262	1.5
136.06190	11.1
137.05992	3.4
138.05461	1.6
138.06413	1.5
147.04437	1.4
151.03899	0.9
151.07680	1.4
158.09250	0.7
161.04443	1.3
164.07030	1.2
166.05019	1.4
167.06911	1.5
167.10721	1.6
174.94400	0.8
185.04263	2.7
185.07951	7.0
203.05327	8.1
213.19330	0.9
226.08662	2.9
227.08214	1.9
241.09782	5.3
255.11378	1.2
259.10654	1.2
268.09512	0.9
269.09106	1.7
285.13220	5.0
286.10861	1.3
287.10394	2.4
301.12573	53.5
302.04797	1.0
302.13123	1.1
311.10129	1.4
319.12805	1.2
329.11276	2.7
347.13065	100.0
348.13287	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
61.63319	0.4
69.03417	0.7
70.06587	0.5
70.70964	1.3
70.99845	0.5
72.08167	1.5
82.99837	4.2
84.08141	1.5
85.02905	1.6
86.09708	1.2
91.05479	0.5
94.42116	0.5
97.02934	1.0
98.97552	1.0
101.00892	19.7
102.00977	0.6
103.02435	0.8
113.00887	2.5
113.03508	1.7
115.02485	1.0
119.01938	15.7
125.00724	0.6
127.02491	0.5
127.03890	0.5
129.10265	1.5
130.08649	0.6
131.01892	2.9
133.03453	0.5
136.06213	1.7
137.02893	0.6
143.01915	100.0
144.02083	2.4
145.03477	1.5
155.01901	2.5
157.03455	1.0
161.02974	69.0
162.03131	1.3
169.06131	0.6
171.05006	0.7
173.02992	1.9
179.01970	0.5
184.04648	1.3
185.03003	1.2
185.06641	1.4
185.09308	0.8
197.06616	1.2
202.20723	0.5
203.04030	40.5
204.04295	1.1
209.06587	0.6
215.07529	0.6
219.02008	1.7
221.02901	1.3
221.05133	2.6
227.03963	0.5
227.07658	2.1
245.05177	1.0
287.09778	15.0
304.98587	0.5
305.10803	1.1
325.23312	0.5
347.06409	1.0
347.12012	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	347.1241
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.01878	6.5
55.02103	1.2
55.05473	1.3
63.30305	0.7
67.05486	1.5
69.03423	1.9
69.07063	2.2
70.06597	1.0
70.68602	2.7
79.05479	2.3
81.03424	1.5
81.07040	2.4
83.04977	0.7
85.02894	1.1
88.53341	0.8
90.34915	0.7
91.05476	3.0
93.07047	2.5
95.04967	1.0
95.08638	1.2
97.06522	2.7
105.07004	2.6
106.06576	1.1
107.08603	1.2
108.04461	1.5
110.06116	0.9
117.07008	1.3
119.08553	1.1
121.02882	1.2
121.06433	1.1
129.07033	1.5
134.05960	1.0
137.05952	1.8
138.05528	1.1
141.06969	1.2
143.08528	1.5
145.06560	0.8
145.10168	1.2
148.03886	1.0
149.06035	1.4
151.07623	0.8
152.03424	1.3
156.08112	1.0
157.10185	1.2
160.03954	2.9
161.04715	1.1
162.05492	1.0
163.11160	1.0
167.07207	0.9
168.08067	1.5
169.10136	1.3
170.08344	1.4
170.09644	1.4
172.07613	0.9
173.02383	1.7
176.07132	1.2
178.04999	3.6
182.09694	1.4
182.32404	1.0
183.09360	1.2
184.06349	1.4
185.07043	3.9
185.10785	1.3
187.05119	4.2
194.08246	1.0
197.07144	1.1
198.07791	1.3
198.09354	1.3
199.08716	7.7
200.09190	1.4
200.10854	1.0
201.06645	5.5
201.10255	2.3
202.85565	0.8
205.06244	1.1
209.07204	1.1
209.10789	0.9
210.09169	2.0
211.08643	2.7
213.06650	8.3
213.10254	6.7
223.08684	1.2
224.09087	0.8
225.06587	1.1
227.08147	14.5
227.11635	4.6
228.10330	1.4
229.09790	3.8
229.13228	1.4
231.07742	3.9
237.10175	4.2
238.08598	2.6
239.08218	2.5
239.11781	0.9
241.09764	8.7
243.11365	1.1
245.09279	2.3
250.07457	1.2
255.07703	14.4
255.11296	9.9
256.09827	1.1
257.09222	3.8
257.13071	1.6
258.08868	1.5
259.06979	1.2
259.10867	2.9
265.09756	5.9
266.08075	1.8
267.07587	3.4
269.09225	11.9
272.10303	2.1
273.08685	6.0
273.11783	1.6
275.10251	1.2
278.06879	1.0
283.07513	1.6
283.10773	28.1
287.10120	4.6
293.09198	10.1
301.11862	6.5
311.10269	54.2
312.10834	1.2
319.12793	2.4
329.11337	95.4
330.11670	2.2
347.12396	100.0
348.12601	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	346.8733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83274	1.5
55.17071	1.6
56.14651	1.5
65.94778	1.2
71.49538	1.9
84.08142	2.4
94.93026	65.1
96.92816	5.2
118.78185	1.6
129.10239	2.3
136.94041	9.1
150.91995	3.8
150.95587	2.9
152.37910	1.4
164.93556	1.8
199.57492	1.3
202.89108	6.4
204.87091	2.7
204.88879	14.3
206.88646	14.3
211.31615	1.5
248.89682	100.0
260.85565	4.3
269.94156	1.4
286.83490	16.5
324.25586	1.6
346.99997	1.7
351.81894	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0763
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
56.84850	0.3
57.75300	0.2
66.57636	0.2
69.42894	2.0
71.01349	0.3
79.05480	0.3
80.61699	0.3
96.02174	0.3
99.00811	1.2
111.95712	0.3
117.03331	0.3
125.18968	0.2
134.03638	2.3
135.04434	5.4
137.02351	3.7
139.48709	0.3
152.01003	0.3
154.99767	8.1
163.03922	0.3
167.03523	0.3
170.02141	0.4
173.05948	0.4
177.05469	0.4
180.00499	1.4
182.99257	16.2
184.05188	0.7
187.03838	0.3
198.01591	1.6
201.00313	6.0
213.03967	0.9
215.03325	1.0
229.04987	1.6
230.02217	0.4
230.05826	2.6
233.04498	0.4
258.05212	1.0
285.04041	0.5
286.04712	2.1
289.03430	8.2
302.04297	0.4
314.04221	17.9
315.04520	0.7
317.02933	74.3
318.03442	1.4
332.05255	12.2
333.05838	0.3
347.07623	100.0
348.07932	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88218	6.1
52.58414	6.8
55.05516	32.4
57.07081	9.9
60.63017	5.6
63.54893	6.5
67.05505	74.0
69.03418	6.9
69.07076	31.6
71.04986	15.9
71.51255	10.2
77.08595	5.9
79.05516	33.2
81.07060	71.3
83.04992	13.7
83.08612	26.7
85.06513	5.5
86.63921	6.7
91.05471	19.3
93.07043	31.2
95.08591	28.6
97.10120	14.2
98.97635	7.5
105.07021	24.5
107.08611	37.2
109.10166	72.5
111.08096	10.0
119.08563	20.9
121.10128	9.5
121.32833	5.9
125.09624	12.3
127.11201	10.5
131.08536	11.6
133.10191	13.5
137.09608	9.3
147.11693	9.5
149.05983	14.0
149.09572	11.2
151.03928	6.3
154.99724	21.3
155.10687	24.6
158.77963	5.9
159.11662	18.2
159.39769	5.7
171.10205	6.9
173.11725	66.7
182.99232	23.3
183.11656	6.6
189.11201	11.7
190.09492	9.6
195.13780	30.9
201.00380	13.7
205.47147	6.9
213.14835	16.2
216.10973	6.8
239.17783	6.3
244.14247	13.1
244.24394	6.8
264.02850	6.9
275.20135	37.5
293.21149	10.4
303.04752	9.6
316.02185	9.4
316.81400	6.9
317.03177	9.2
328.05756	32.1
329.13840	8.0
331.04443	100.0
346.06473	46.0
346.20840	13.3
347.07394	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	345.3002
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
50.53481	1.7
54.47528	1.7
55.05279	1.7
55.05520	21.9
57.07087	9.3
67.05508	17.0
69.03409	1.8
69.07077	26.5
71.04987	4.4
71.08617	4.5
79.05486	7.1
81.07061	21.2
83.04961	3.3
83.08622	19.2
85.06532	2.3
88.07623	2.4
91.05488	5.8
93.07048	10.1
94.43073	1.5
95.08620	21.2
97.06524	6.1
97.10172	19.5
98.21634	3.0
98.32936	1.6
102.51913	1.8
105.07027	7.8
107.08608	9.8
109.10159	11.4
111.11717	5.8
116.08088	2.0
119.08588	9.2
121.10182	9.8
123.11686	4.4
125.09601	2.5
127.11171	3.8
131.08540	2.0
132.05641	2.2
133.06458	10.5
133.10136	9.4
135.04405	5.2
135.11702	7.0
137.09598	3.0
139.11133	1.9
141.09122	1.8
147.11693	6.1
149.13254	3.0
151.11214	2.6
151.14839	2.2
154.99738	5.1
159.11801	2.9
161.13316	5.1
163.14876	2.2
169.01363	3.6
175.07661	2.0
182.99240	11.8
185.09557	2.3
189.16374	3.3
201.00293	7.9
203.10686	2.6
215.10437	1.9
217.19531	2.3
219.10291	2.0
228.08012	2.7
273.25803	4.6
284.06882	2.1
287.05530	7.7
287.36243	1.7
291.26715	4.0
297.03815	5.3
300.90665	1.9
309.27951	2.3
312.06332	19.1
315.04984	83.8
316.05106	2.5
330.07172	9.7
345.09723	100.0
345.20798	3.2
345.35654	4.1
346.10129	3.9
346.33325	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	345.2426
Annotation	(+/-)-10-HDoHE
Peak:m/z	Relative Intensity
53.03935	8.2
55.05513	24.2
57.07042	4.9
58.02485	4.5
67.05226	4.7
67.05511	49.3
69.03421	5.6
69.07076	25.3
70.24085	19.6
71.05012	5.2
71.81867	4.2
73.26511	4.3
75.74438	3.8
79.05499	45.3
80.99890	4.6
81.07063	92.2
83.04960	14.1
83.08589	4.5
83.40334	4.3
91.05497	51.6
93.07052	74.4
95.04951	6.7
95.08620	79.7
97.06531	10.3
97.10175	5.1
98.21473	6.7
100.52141	4.6
105.07037	100.0
107.08598	54.2
109.06527	8.9
109.10184	42.0
117.07065	23.1
119.08605	45.4
121.06504	7.8
121.10138	31.1
123.08057	6.9
125.09669	4.9
128.06226	8.2
129.06989	13.7
131.08583	58.7
133.10126	45.8
135.11694	18.9
141.06895	8.0
142.07816	7.4
143.08572	39.3
145.10121	50.7
147.11703	37.0
149.13264	11.0
151.11198	4.7
155.08551	16.9
156.09227	5.0
157.10152	31.9
159.08090	7.3
159.11691	39.3
161.13234	23.6
163.14896	5.2
169.10100	24.3
171.11639	33.7
173.09674	7.3
173.13275	26.9
175.07556	8.5
175.11223	5.2
175.14873	7.8
181.10091	7.3
183.11678	12.9
185.13304	33.6
187.11137	6.1
187.14798	24.1
189.09070	5.2
189.12752	4.4
191.14307	7.4
197.13330	21.7
197.14854	4.4
199.11342	4.7
199.14833	41.9
201.16408	12.9
203.10637	10.4
203.14481	5.3
211.14856	23.5
213.16339	9.7
215.10733	10.3
215.14316	14.3
217.15762	5.7
225.16370	15.3
227.10645	6.8
227.17979	24.8
229.15810	6.1
239.17999	8.8
243.13840	27.5
257.22647	13.3
267.21121	75.6
283.16946	9.7
285.22089	65.7
287.16458	8.1
301.17944	18.7
327.19418	7.8
327.22910	5.5
345.20520	11.7
345.24252	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	345.2061
Annotation	Stizophyllin
Peak:m/z	Relative Intensity
53.03938	4.2
55.05522	11.6
57.03439	6.6
57.07076	2.9
59.05003	7.1
60.13375	2.5
62.86853	2.4
65.03926	3.1
67.05505	12.5
69.03417	8.1
69.07059	8.3
71.04993	21.8
78.04718	2.1
79.05515	12.7
79.34745	2.1
81.07050	11.5
83.04998	5.2
85.02903	5.2
85.06539	6.4
91.05473	13.1
91.56825	2.6
93.06996	5.2
93.62491	2.2
95.08620	11.5
95.47743	2.4
97.06554	6.0
103.05477	5.7
105.07026	14.7
107.08606	13.8
109.06537	2.9
109.10165	10.2
117.07014	4.5
119.04971	6.4
119.08611	16.0
121.06493	3.1
123.08051	13.9
125.09633	10.5
127.11211	20.1
128.06239	2.9
129.07005	8.3
131.08562	6.1
133.06502	100.0
133.07584	6.5
133.10112	8.3
135.04422	2.4
137.05981	5.4
141.07057	3.2
141.09081	3.8
142.07796	5.5
143.08542	6.1
145.06485	3.4
145.10135	3.6
147.08069	13.4
153.07007	3.2
155.08588	4.5
157.10136	13.8
159.08081	6.5
159.11716	4.5
161.05928	4.1
161.09715	5.0
165.07022	3.2
169.10158	6.0
171.08070	5.4
171.11696	7.0
173.09659	6.4
174.06799	3.7
175.07553	16.5
175.11200	6.5
177.09138	5.6
179.08569	5.1
180.09332	3.2
183.11745	8.3
184.08879	3.0
185.09622	7.7
185.13429	2.5
187.07597	6.3
187.11151	7.5
189.09109	7.4
191.07031	3.1
193.08565	2.6
193.10120	2.4
195.11606	3.0
197.09569	3.5
199.11211	7.3
199.14830	2.5
201.09126	13.3
203.10713	9.9
205.12186	2.7
207.11740	5.1
209.13219	2.9
211.11177	5.0
213.09116	4.7
213.12733	14.8
215.10687	27.4
217.12238	3.8
219.10114	6.5
223.11050	3.5
223.14844	7.5
225.12717	6.4
227.10695	5.8
229.12257	9.3
229.54391	3.5
231.13866	7.4
237.12756	4.7
239.14348	4.9
241.12199	6.3
241.15753	4.8
243.13799	6.3
245.11578	3.3
247.13286	8.9
249.16479	3.7
251.14369	4.7
253.12242	3.7
255.13875	3.4
259.13373	4.8
269.15451	3.6
271.13089	3.0
281.19104	3.4
283.16916	5.0
287.05600	3.7
287.16321	4.0
289.14227	4.5
291.17468	7.5
301.17984	18.5
303.15634	3.0
309.18408	13.0
312.06180	5.3
315.04984	27.9
327.19550	13.9
330.07422	3.4
345.09714	37.4
345.20520	48.6
345.24094	9.6
346.09811	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	345.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.8
54.60266	1.4
55.05503	5.3
57.03434	1.8
57.07066	2.4
67.05525	6.9
69.07077	3.1
69.82171	2.8
69.82579	7.2
70.06570	2.4
71.04997	34.8
79.05484	2.6
81.07041	4.5
83.05004	1.8
91.05493	3.5
91.96891	1.6
93.07074	2.2
95.08598	1.8
97.06535	1.7
98.90562	1.4
105.07030	3.5
107.08572	2.1
109.10173	9.9
117.07015	1.7
119.08588	1.7
121.06520	11.4
127.11201	100.0
128.11540	2.0
130.16006	1.7
133.06470	4.4
133.10106	1.6
135.04390	2.0
145.10132	2.8
149.09604	1.7
157.10124	2.2
163.69247	1.5
169.10130	2.3
171.11757	1.6
173.09608	2.6
175.07588	4.4
177.05449	2.0
177.09113	2.6
182.99295	2.5
187.11070	2.7
189.09138	3.6
191.10693	5.3
201.00441	2.1
201.09131	4.0
203.10605	3.2
215.10701	7.3
217.12296	3.1
219.10201	13.4
225.12744	1.8
227.10611	3.2
229.12315	2.9
239.14284	2.3
243.13829	2.4
245.11794	3.4
247.13298	2.1
253.12093	1.9
257.15482	1.8
259.13156	1.8
271.13269	4.9
273.14767	1.7
284.29471	3.5
285.14865	6.6
287.05438	1.7
297.03940	2.6
301.18030	9.8
312.06296	5.5
315.04999	29.2
327.19550	10.6
330.07343	3.1
345.09708	38.0
345.20575	17.3
346.33170	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	345.2062
Annotation	Taxusabietane A
Peak:m/z	Relative Intensity
55.05514	6.1
56.61422	1.0
57.07055	2.2
67.05507	6.3
69.03434	1.7
69.07069	3.8
71.04996	45.5
71.50964	1.5
79.05493	3.2
81.03410	1.6
81.07048	5.4
82.18600	1.1
83.04987	3.1
83.08604	2.9
85.51775	1.0
86.09711	1.6
91.05482	4.4
93.07036	4.7
95.04974	2.3
95.08612	4.1
99.04420	1.3
100.27444	1.0
105.07027	4.8
107.08606	6.1
109.10184	10.1
117.07007	1.9
119.04919	1.5
119.08636	6.0
121.02875	1.3
121.06519	4.2
121.10120	1.8
123.08031	1.3
127.11199	100.0
129.07016	1.9
131.08582	2.1
132.05759	1.6
133.06517	7.4
133.10139	2.2
135.04413	3.5
135.08038	6.2
135.11655	2.2
136.58870	1.0
137.05956	1.4
139.03812	1.2
143.08539	2.3
145.06516	1.5
145.10104	2.5
149.05974	2.5
154.99785	2.7
155.00952	1.2
155.08542	1.2
157.10153	3.5
159.08063	2.6
159.11714	2.1
160.98828	1.2
161.06010	2.0
161.13214	1.9
163.07503	1.2
169.01349	3.2
169.10104	1.4
171.11705	1.4
173.09633	3.6
173.13339	1.4
175.07593	3.6
177.05481	21.3
181.10197	1.6
182.99261	6.6
183.11670	1.0
184.07372	2.9
185.09700	1.8
187.11198	1.2
189.05550	1.7
189.09076	1.8
191.10805	1.7
191.14352	4.0
197.00768	4.1
199.11220	2.9
201.00320	4.1
201.09189	1.5
201.16359	1.4
203.10710	4.5
210.10390	1.7
213.05734	1.2
215.10686	1.4
217.08615	1.3
217.12122	5.8
217.19603	2.1
219.10191	11.6
225.12715	6.2
227.14368	2.2
228.07722	2.3
229.08575	2.3
231.10126	7.5
243.13765	3.4
245.11784	10.7
253.12421	1.2
259.13281	1.9
269.04544	1.3
271.13242	13.8
272.03152	1.2
273.55670	1.2
284.06708	1.8
285.14886	2.5
287.05612	4.7
297.03976	6.2
299.19943	2.1
301.18231	1.1
312.06256	12.7
315.04999	54.5
316.05374	1.7
327.19479	7.7
330.07330	8.6
345.09714	68.7
345.20734	8.6
345.27982	2.6
346.10117	1.4
346.33261	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	345.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29754	3.1
55.05502	6.1
56.54703	3.4
59.71475	3.2
62.27392	2.9
67.05492	3.3
69.07036	3.5
69.42822	24.7
79.05482	5.4
91.05483	6.6
93.07027	5.2
95.08595	3.3
103.05479	21.9
103.06049	3.8
105.07014	3.3
107.08565	3.3
109.06532	3.3
117.06987	7.4
119.04906	5.0
121.06477	3.7
122.03690	5.7
131.04929	22.6
137.05986	60.9
145.06488	3.6
149.09409	2.9
151.07544	16.6
162.06439	4.5
163.07576	45.3
175.07491	9.5
177.07642	6.8
177.09119	100.0
177.10678	5.0
187.31352	2.9
195.10184	11.4
221.11699	8.7
267.65067	3.6
299.12903	4.1
345.10748	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	345.2063
Annotation	Stizophyllin
Peak:m/z	Relative Intensity
50.28550	3.4
51.58415	3.3
53.37067	4.3
55.05512	23.7
55.76712	4.1
57.03435	20.1
57.07076	4.2
59.04996	4.7
67.05512	20.0
69.03412	19.7
69.07061	10.4
69.94481	3.8
71.04992	12.4
71.30313	7.1
79.05487	14.2
81.07054	17.3
83.04968	17.6
83.08637	3.5
85.06533	6.0
91.05470	8.3
93.07036	10.9
95.04935	4.7
95.08599	8.0
97.06531	8.7
105.07010	17.4
107.08576	15.4
109.10146	18.3
117.06997	6.8
119.08565	11.3
121.06528	10.8
123.08096	9.1
125.09601	20.1
127.11165	9.7
129.07040	4.8
131.08611	9.0
133.06514	4.8
133.10120	7.1
134.42688	3.8
135.04555	3.4
135.08011	6.9
143.08583	13.2
143.10602	4.2
145.06418	7.2
145.10112	6.7
147.08022	14.2
151.07480	4.5
151.47202	4.1
155.08546	8.3
157.06477	4.0
157.10098	7.7
158.07295	6.7
159.08104	18.5
160.08879	4.0
161.05969	8.4
161.09639	6.1
163.07582	5.4
163.69075	3.8
169.10033	6.5
171.08028	5.5
172.08788	7.6
173.09677	25.3
175.07552	20.3
175.11205	7.8
177.09143	10.8
181.10092	5.4
185.09604	13.6
187.07526	4.8
187.11241	21.3
189.09099	53.9
195.11650	5.4
197.09613	8.8
197.13298	8.0
199.07600	6.5
199.11191	7.5
200.08315	5.6
201.09027	5.3
201.12714	13.4
203.10681	85.1
205.12328	5.7
211.11137	5.6
213.09100	8.9
213.12779	11.7
214.09866	9.3
215.10699	32.2
215.14328	10.6
217.12222	8.1
219.10271	7.6
225.09097	7.2
225.12778	8.8
226.09802	7.0
227.10716	25.3
228.11382	8.7
229.12244	51.0
231.13754	9.9
233.11641	5.0
240.11328	3.9
241.12215	24.2
242.12947	6.9
243.13817	100.0
245.11789	10.7
247.13278	16.6
253.12334	9.6
255.13779	12.8
257.15320	9.6
259.13284	15.1
263.12823	19.4
267.21161	4.9
268.14505	6.5
269.15338	8.8
271.13321	8.2
271.16754	19.2
273.14798	4.9
283.16907	45.0
285.14835	4.4
285.18472	32.6
287.16437	61.0
288.17151	4.5
289.14410	26.8
299.19843	4.7
301.18079	38.5
303.16028	5.2
309.18484	11.2
315.04971	8.5
315.19696	6.8
327.19531	35.1
345.09738	9.0
345.16653	6.4
345.20599	84.2
345.24130	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	345.2063
Annotation	3beta-Hydroxy-17-oxoandrost-5-en-19-al acetate
Peak:m/z	Relative Intensity
55.05501	7.2
57.03437	5.0
57.07074	1.9
67.05509	22.5
69.03453	4.7
69.07058	6.6
70.91942	2.6
71.04996	36.4
79.05477	5.7
81.07073	9.9
83.04973	2.9
91.05489	5.3
93.07047	4.7
95.08622	3.6
97.10139	2.9
105.07059	4.6
107.04911	2.1
107.08590	6.2
109.06486	2.4
109.10172	29.9
117.07021	2.6
119.08577	5.7
121.06508	7.4
125.09624	2.4
127.11198	67.9
129.06969	3.0
131.08539	4.8
133.06534	3.3
133.10143	3.4
135.08051	4.5
137.05972	4.4
142.07806	2.1
143.08531	4.6
145.06438	5.9
145.10117	7.2
147.08046	5.9
149.06017	5.4
149.09564	3.2
155.08589	2.7
158.07278	3.9
159.08034	7.9
160.05141	2.1
160.08878	2.9
161.09616	4.6
165.09108	2.4
171.08046	2.5
172.08836	3.2
173.09648	18.5
175.07559	30.8
175.11111	2.5
176.08163	2.5
177.09140	11.8
181.10170	2.8
185.09702	3.1
185.13213	2.0
187.11203	6.2
189.09090	17.1
191.07037	14.6
191.10699	3.3
193.08658	7.0
199.07515	3.9
199.11165	2.9
200.08249	3.0
201.09082	10.3
201.12791	8.7
203.10666	24.9
213.09059	4.2
213.12836	4.6
214.09853	5.5
215.10712	18.9
215.14244	3.1
217.12242	4.3
219.10149	15.6
225.12697	2.7
227.10748	11.8
228.11528	3.9
229.12274	59.8
233.11639	2.8
241.12190	7.5
243.13834	32.2
245.11699	8.3
247.13332	10.5
249.11186	4.6
259.13434	3.4
263.12759	9.5
271.13251	7.6
273.11200	2.7
275.12723	3.8
277.14566	2.3
283.16956	6.6
285.18457	30.6
287.16498	3.1
289.14359	60.9
299.19955	3.2
301.17963	38.5
302.15234	2.3
303.15863	6.7
303.19531	11.8
315.05042	3.7
317.21164	5.2
327.19730	10.0
330.07278	2.9
345.09753	16.1
345.20612	100.0
346.21005	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	345.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.9
57.02213	4.9
64.39288	5.2
67.05499	13.7
69.03426	16.0
69.07043	6.2
69.83628	10.7
69.84036	18.3
79.05499	24.2
81.07069	32.8
83.04970	6.3
85.02888	8.0
86.30244	4.5
91.05482	29.4
93.07036	15.6
95.04978	8.5
95.08598	15.8
97.06524	14.7
98.21518	6.5
103.05484	25.2
105.07021	19.2
107.04993	5.1
107.08562	10.8
109.06503	19.5
109.10166	6.8
111.04440	7.2
115.05443	11.5
117.07005	13.9
119.04960	5.7
119.08595	13.7
121.06502	11.2
121.10077	5.5
123.08063	8.2
128.06230	8.4
129.07036	7.4
131.04918	24.6
131.08554	11.6
133.06458	6.1
133.10124	5.1
135.04387	5.1
135.08066	5.9
137.05983	78.9
141.07007	6.9
142.07828	8.0
143.08476	11.5
145.10059	5.6
147.08052	9.1
151.07521	22.8
155.08574	9.8
157.10115	13.5
161.05988	9.2
161.09621	5.9
163.07529	57.2
165.06984	8.8
167.08612	5.7
169.06418	8.1
171.08040	8.8
173.09738	6.5
175.07545	13.1
177.09106	100.0
185.09637	12.9
195.08028	7.9
195.10184	9.8
199.07463	6.5
203.06947	8.5
203.10645	6.7
213.09032	14.6
213.11038	5.1
215.10379	6.7
215.63672	5.5
239.10550	8.4
241.08536	8.6
253.12332	9.5
263.06583	5.6
263.10477	5.6
271.13358	6.7
281.11710	12.2
299.09280	5.2
299.12692	18.9
327.12326	25.3
345.13489	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38646	3.3
53.03946	7.2
55.01862	5.5
55.05516	70.6
65.03924	5.5
67.05511	18.1
69.03426	11.9
69.07061	5.3
70.30721	3.4
71.04984	5.0
71.50505	5.8
71.95162	3.2
73.65145	3.7
79.05501	22.0
81.03403	5.9
81.07055	22.0
83.04986	100.0
85.02862	4.3
91.05489	50.2
93.07034	22.4
95.04984	30.7
95.08607	9.1
97.02895	10.7
97.06535	10.0
103.05498	9.2
105.07049	42.2
107.04943	10.1
107.08578	16.7
109.06522	11.5
109.10156	4.3
113.02366	8.3
115.05466	15.6
117.07029	23.0
119.04943	15.8
119.08583	15.4
120.05710	3.6
121.06482	21.7
123.04430	4.3
123.08113	9.4
127.11180	4.4
128.06242	28.9
129.07021	38.1
130.07851	3.7
131.04970	8.0
131.08563	17.2
133.06477	15.6
133.10097	5.1
135.04448	6.6
135.08026	3.4
135.11684	3.5
137.05972	9.3
141.07008	27.2
142.07758	26.2
143.08583	47.5
145.06508	10.1
145.10114	19.6
147.04469	10.2
147.08047	7.2
149.06020	4.1
151.07532	8.5
153.06961	18.1
155.06046	4.0
155.08551	37.9
156.09308	28.8
157.06497	15.8
157.10097	26.2
158.07254	4.8
159.08070	13.7
161.05989	6.3
163.07529	6.2
165.05643	8.3
165.07004	43.9
165.09140	3.8
166.07790	59.1
167.08568	4.2
168.09442	7.2
169.01363	5.5
169.06406	5.8
169.10126	8.5
170.07314	6.4
171.08054	17.3
171.11681	50.7
173.09645	19.3
173.13258	4.0
175.07581	12.4
175.11124	4.3
181.10135	97.3
183.08089	11.7
183.11761	7.0
184.08879	16.7
185.05977	7.6
185.09615	15.4
187.07475	4.1
187.11118	5.5
189.09180	8.3
189.12750	5.9
194.07228	5.9
197.00899	4.2
197.09619	4.4
199.07475	6.7
199.11188	87.8
201.09032	6.6
203.07062	4.3
203.10664	12.4
209.09584	21.3
212.08231	5.6
212.25281	4.3
215.10750	8.1
217.12210	12.0
227.10701	75.2
229.12206	7.2
231.13779	5.3
241.08731	4.5
241.12276	5.7
243.13846	6.2
245.11778	23.3
259.13281	8.6
283.16702	5.3
301.18088	11.3
303.15735	6.2
315.05020	13.2
327.15903	4.8
327.19586	6.1
330.07358	4.8
345.05969	13.9
345.09848	17.8
345.20642	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	345.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00152	0.4
55.01871	0.5
55.05522	0.4
63.02395	0.4
66.04725	0.5
67.05499	1.1
69.03428	0.7
69.07061	0.7
71.04975	0.5
72.08147	0.4
73.02911	0.4
79.05495	1.5
81.07050	1.5
83.04993	0.5
85.02913	0.6
86.09714	1.1
91.05481	2.7
93.07034	0.4
94.04203	3.7
94.06565	1.0
95.04977	0.9
95.08599	0.5
103.05476	0.8
104.23867	0.4
105.07039	0.7
107.04958	0.9
107.08606	0.7
109.06530	1.5
114.09209	0.8
115.05464	1.7
116.04967	1.2
121.06493	1.3
122.03661	9.7
122.06042	3.1
123.04398	0.6
125.06011	0.6
131.04912	1.8
133.02855	0.9
133.06522	0.5
136.07654	0.5
137.05986	100.0
138.06317	1.3
140.07076	4.4
143.04935	2.1
144.04453	2.2
146.05997	0.9
147.04408	0.6
147.08089	0.7
149.05991	1.5
151.03882	0.6
151.07576	0.8
153.05569	0.4
153.07086	0.6
159.04433	1.1
160.05231	0.8
161.05984	4.2
162.05508	0.9
163.07605	0.9
165.05522	0.9
165.07028	1.5
165.09079	0.9
172.03954	6.9
174.05397	0.5
175.07535	3.5
176.04655	1.3
177.05511	0.7
177.07030	0.5
178.07806	0.9
179.08606	1.4
181.06555	0.8
182.07323	1.3
183.10165	0.8
187.07552	0.5
189.06953	0.9
191.07028	3.4
193.06544	1.3
193.08542	0.4
194.07257	0.7
195.08070	0.8
197.06000	0.7
203.07045	2.0
204.06578	11.2
205.06563	1.3
206.08286	2.0
207.08122	2.5
209.06070	0.5
210.06834	2.1
211.07579	1.0
217.13548	0.4
218.07115	0.5
221.06015	2.7
221.08032	0.8
222.06773	1.1
223.07510	0.8
224.08435	1.4
225.09108	2.0
227.07147	0.6
233.06000	0.6
234.06769	1.7
235.07556	1.4
237.09073	2.1
238.06279	1.0
239.07086	0.7
239.10774	1.1
243.13876	0.5
247.07539	0.7
249.09172	1.6
251.07098	1.0
252.07883	1.1
253.08537	3.1
255.06641	0.4
263.06906	0.6
265.08636	3.7
266.09497	0.5
267.10126	3.3
270.09006	0.7
277.08572	2.3
282.08890	0.8
284.10529	0.5
285.11230	3.7
294.08859	1.6
295.09662	1.5
296.10287	0.4
297.03693	0.5
297.11292	2.3
309.11285	3.2
315.05011	1.4
327.12573	1.3
345.09790	1.4
345.13876	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02343	1.1
53.03949	2.0
55.01868	2.8
65.03947	1.9
67.01872	2.1
67.05496	2.4
69.03436	17.6
70.34745	4.6
75.56711	1.1
79.05492	4.9
81.07046	3.0
83.01342	10.5
91.03477	1.0
91.05485	9.4
93.03461	1.2
93.07039	3.5
95.04975	5.9
95.08592	2.3
97.06474	1.5
99.00803	3.5
103.05495	2.9
105.07037	4.5
107.04964	2.9
107.08581	1.3
108.02122	2.6
111.00764	2.1
115.05447	5.6
117.06998	6.0
119.04920	3.4
119.08601	8.3
121.02874	2.5
121.06499	2.2
128.06223	11.5
129.07019	18.6
131.08591	8.7
133.06490	1.3
135.04390	3.4
137.05974	1.9
141.07004	9.6
142.07777	20.4
143.08568	19.7
143.09583	2.0
145.06479	4.1
145.10097	1.5
147.04436	2.9
149.05983	1.3
151.03877	2.0
152.06221	9.3
153.06960	3.4
154.07813	6.3
155.08577	3.1
157.06490	5.0
157.10127	13.4
159.04445	2.7
159.08066	5.0
161.06009	2.6
161.09602	5.0
165.01799	1.7
165.07002	4.3
166.07855	1.7
167.08560	17.3
169.06487	2.6
169.10161	4.4
170.07237	4.8
171.08087	8.0
173.06000	2.3
173.09685	1.7
175.07571	2.1
181.01306	2.7
185.06042	3.8
185.09625	26.5
187.07573	6.5
187.11232	1.2
195.08081	11.7
197.06029	2.4
197.09637	2.1
198.06754	1.9
199.07553	4.5
201.05458	4.1
203.10670	1.9
211.07439	1.3
213.05707	2.5
213.09122	30.0
213.11034	2.3
215.03514	1.8
217.08594	1.5
223.07559	5.2
231.10175	5.3
241.04884	2.9
241.08623	20.6
255.06648	2.3
256.07297	2.6
259.09723	6.8
269.04507	2.7
284.06848	9.4
286.04678	2.7
287.05453	1.7
301.07175	3.2
302.07767	4.0
312.06326	12.9
314.04099	2.9
315.04956	4.0
329.06613	17.9
330.07333	21.9
345.09695	100.0
346.10031	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	345.0969
Annotation	Araneol
Peak:m/z	Relative Intensity
53.37584	0.6
53.89253	0.6
69.36996	1.5
69.37401	3.9
113.02409	0.7
119.04946	3.1
121.02900	3.3
151.00325	1.0
169.01312	6.3
194.02203	0.7
197.00827	11.2
211.63507	0.6
215.01891	1.6
216.04230	0.8
227.05583	0.8
255.06610	0.6
269.04501	2.1
272.03119	2.8
283.06125	3.5
284.06848	4.2
287.05493	2.5
297.03952	26.1
299.05420	1.1
300.02710	1.9
311.05417	1.5
312.06277	4.4
315.04993	61.2
330.07343	7.6
345.09714	100.0
346.09952	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0971
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
53.03913	0.2
55.01848	0.2
55.05511	0.8
57.03415	0.5
57.07056	0.4
60.02196	0.1
67.05471	0.6
68.99781	0.2
69.03410	0.3
69.07050	0.4
71.04993	0.2
71.50844	0.2
79.05467	0.5
81.03399	0.1
81.07048	1.0
82.00550	0.2
83.04989	0.8
85.02875	0.2
85.06551	1.6
90.42325	0.1
91.05450	0.6
93.03347	0.2
93.07066	0.7
95.04920	0.4
95.08630	0.7
95.09081	0.2
97.02863	0.3
97.06547	0.8
105.03373	0.2
105.07005	0.5
107.04961	0.8
107.08637	0.7
107.09209	0.1
109.10130	0.3
109.91721	0.1
111.04403	0.2
111.08074	0.2
115.05433	0.2
117.07008	0.3
119.04960	0.3
119.08544	0.5
121.06475	0.3
121.10149	0.9
123.04445	0.7
128.06229	0.3
129.07001	0.3
131.04985	0.2
131.08542	0.1
133.02855	0.2
135.04411	0.7
135.08083	0.2
137.02319	0.4
137.05989	0.3
139.03899	0.2
139.07487	0.3
141.06953	0.4
142.07709	0.2
143.08519	0.2
144.05667	0.1
147.04425	0.3
148.05183	0.2
149.02272	0.2
149.05992	0.2
149.13248	0.4
151.03879	0.2
151.07430	0.3
152.01015	0.4
153.01833	2.9
153.05443	0.2
153.06995	0.3
154.07799	0.2
155.08513	0.2
157.06488	0.2
157.10152	0.3
159.08035	0.2
159.11647	0.4
161.02385	0.7
161.05962	0.5
163.03908	2.4
165.01866	0.2
165.07066	0.2
167.03334	0.2
167.07094	1.2
167.08406	0.3
169.10141	0.3
170.02118	0.7
171.04327	0.2
171.08066	0.2
173.06001	0.2
173.09627	0.2
175.07552	0.2
176.04678	0.2
177.05466	0.4
177.09212	0.2
177.12767	0.5
178.02711	0.8
178.06256	6.2
179.03392	0.5
181.10078	0.2
183.02875	0.4
185.05991	0.3
185.09602	0.4
189.05463	0.6
189.09044	0.3
191.07063	0.2
195.13766	0.4
197.06007	0.2
197.09627	0.2
199.03941	0.2
199.07643	0.2
200.04582	0.2
203.03410	0.6
203.06931	0.3
204.04149	0.5
205.04961	0.3
211.03902	0.4
213.05507	0.7
213.09090	0.2
215.10645	0.4
216.04190	5.3
217.04918	1.5
227.03392	1.3
227.10632	0.2
228.04190	1.0
229.04915	0.4
229.08531	0.2
231.03040	0.8
231.06512	3.5
231.13692	0.2
241.04977	2.4
241.12318	0.3
243.02945	0.2
243.06572	1.7
243.13893	0.2
244.03687	3.9
245.04428	0.4
253.05000	0.3
255.02898	16.6
256.03448	0.5
257.04343	0.3
259.03409	0.3
259.06058	4.9
259.13464	0.2
268.03525	0.2
269.01535	0.2
269.04468	4.0
270.05176	0.2
271.02496	0.2
271.05878	0.4
272.03241	1.5
281.04507	0.9
283.02368	3.2
283.05994	1.0
283.16812	0.2
284.03159	1.7
284.06769	0.7
285.03915	0.3
286.04575	0.1
287.05511	12.8
289.10730	0.2
297.03967	3.3
298.04633	0.5
299.05551	1.9
300.02673	6.3
301.03528	0.3
301.07053	0.6
301.17804	0.2
311.05469	0.7
312.06296	1.8
313.07089	1.7
313.10489	0.2
314.04242	0.2
314.07782	0.2
315.04987	71.4
316.05417	1.4
327.19464	0.2
329.06577	1.8
330.07355	19.8
331.07739	0.5
345.09695	100.0
346.10095	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	345.0972
Annotation	Araneol
Peak:m/z	Relative Intensity
52.70801	0.8
55.05512	1.8
67.05513	4.5
69.07084	1.4
70.75828	1.7
71.04976	1.9
73.84665	0.6
76.27779	0.8
79.05487	2.1
81.07057	4.8
91.05475	3.3
93.07040	2.4
95.04905	0.9
95.08604	2.7
97.06525	1.1
98.98603	0.7
101.59823	0.9
105.07047	4.0
107.08587	3.2
108.02116	8.1
109.10178	5.3
117.07007	1.9
119.08575	3.3
121.10125	1.3
123.11702	0.8
127.11189	2.7
129.07018	1.7
131.08612	2.2
133.02849	0.9
133.10098	2.2
136.01590	4.9
142.07750	0.9
143.08556	1.8
145.10159	3.9
147.08047	1.3
147.11705	1.0
148.05217	12.2
149.06006	5.5
151.03938	4.1
154.02643	2.5
155.08551	1.0
157.06563	1.1
157.10178	2.0
159.11620	2.2
161.13216	1.3
168.05603	1.2
171.11749	1.3
173.09650	2.0
175.07635	3.5
177.09103	0.9
183.11734	1.1
185.05988	4.0
185.13252	0.8
187.11241	1.4
187.14816	1.2
189.09195	1.8
199.11214	1.0
199.14920	1.3
200.08391	1.3
203.10719	1.5
211.14848	1.9
213.05496	2.1
215.10689	3.1
219.10153	1.9
225.16260	0.9
227.07202	0.8
227.10583	1.2
227.17955	0.9
232.33478	0.7
241.04918	1.5
243.13916	1.9
245.11690	1.5
247.13274	1.2
256.07306	2.8
267.21063	3.0
269.04507	8.0
283.16751	1.0
284.06815	37.4
285.22180	1.7
286.04468	0.9
287.05554	1.7
289.14197	1.6
293.26422	0.9
297.03989	2.3
301.06976	1.0
301.17960	4.6
312.06335	31.8
313.06729	0.8
315.04980	2.1
317.20865	0.8
327.19449	1.2
329.06595	2.3
330.07364	20.3
345.09714	100.0
345.20801	5.4
345.24185	1.3
346.09946	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0969
Annotation	Araneol
Peak:m/z	Relative Intensity
56.00253	0.4
60.28173	0.4
65.50166	0.4
71.01345	0.7
71.11582	0.9
71.48631	0.4
77.24200	0.4
82.38801	0.5
99.00833	2.0
104.85405	0.4
132.05687	2.1
133.06499	11.4
135.03419	0.5
135.04422	7.3
152.01085	0.5
154.99750	9.9
157.06433	0.6
159.08128	0.5
168.00558	0.5
171.08051	0.6
175.07574	1.1
177.05486	0.7
180.00499	1.5
182.99261	18.6
185.05971	1.0
192.86707	0.5
198.01625	1.8
201.00327	7.4
203.07095	0.6
213.03940	1.5
213.05652	0.8
227.07039	1.8
228.07806	2.7
231.06572	0.6
241.05031	0.5
259.06174	0.7
284.06824	2.1
287.05478	10.0
312.06296	17.4
313.06686	0.8
315.04993	84.1
316.05344	2.2
330.07352	11.8
345.09705	100.0
346.09985	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0967
Annotation	3',4'-Dimethoxywogonin
Peak:m/z	Relative Intensity
55.01865	0.7
56.62955	0.4
57.25558	0.3
65.59827	0.4
67.05495	0.6
68.99811	0.4
69.03440	0.7
70.85737	0.9
78.43524	0.4
78.60455	0.4
79.05489	0.8
81.03419	0.5
81.07070	0.8
82.38824	0.4
83.04968	0.7
85.02894	1.1
91.05492	0.6
95.04968	1.2
97.02901	0.5
100.11227	0.4
105.07034	1.1
107.05013	1.0
107.08620	0.6
111.17689	0.4
114.32600	0.4
119.08604	0.5
121.06565	0.6
123.04442	1.0
126.03109	0.5
126.65015	0.4
128.06238	0.6
129.07030	0.8
131.04955	0.5
131.08569	0.6
135.04413	0.8
137.02226	0.4
137.05994	3.7
139.03917	2.0
143.08548	1.2
145.06483	0.5
145.10069	0.5
147.04445	0.5
148.05135	0.5
149.05959	0.9
151.03935	2.3
153.01874	2.3
157.06395	0.5
161.02312	0.4
161.06003	0.6
161.09535	0.4
163.03859	1.9
163.07512	0.5
167.07034	1.4
171.08006	0.7
177.05557	0.5
178.06271	5.4
179.03371	0.6
181.06438	0.8
189.05582	0.4
189.09148	0.8
204.04195	0.7
205.04822	0.4
208.08852	0.4
213.05508	0.7
216.04167	4.1
217.04964	1.2
223.11229	0.9
227.03447	1.3
228.04192	0.8
231.02989	0.7
231.06560	2.4
241.05037	2.3
241.12244	1.0
243.06544	1.7
244.03674	3.2
245.04202	0.5
255.02878	14.0
256.03445	0.5
259.06006	3.9
269.04492	4.0
271.05966	0.6
272.03235	1.4
281.04602	0.5
283.02448	2.4
283.05728	0.7
284.03226	1.3
284.06854	0.7
287.05539	11.5
297.04108	3.0
299.05573	2.0
300.02722	5.4
301.07129	0.8
311.05518	0.5
312.06314	2.2
313.07114	1.5
315.05005	62.9
316.05301	0.9
327.09579	0.5
329.06683	1.2
330.07376	19.7
345.09717	100.0
346.09961	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	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.2
55.01873	1.5
55.05518	3.3
57.03426	1.5
58.06601	1.0
60.07886	0.9
60.08170	13.0
65.03956	2.2
67.05181	1.0
67.05513	12.7
69.03442	4.3
69.07058	2.6
69.66094	3.5
70.06615	1.2
71.05000	1.4
79.05496	5.3
81.03423	1.5
81.07063	5.8
83.04985	0.8
83.08619	3.4
85.02925	0.7
86.09700	3.7
87.04476	6.9
91.05489	7.1
93.07053	29.6
95.04976	82.4
95.08642	1.6
97.06544	3.0
98.21492	1.2
99.08083	3.9
99.45393	0.6
101.06014	0.7
102.09189	12.5
103.05482	0.7
105.04448	0.8
105.07056	6.2
107.04954	0.8
107.08601	10.3
109.06528	2.9
109.10174	1.8
111.08086	15.0
115.07575	3.8
117.07011	3.1
119.08609	2.7
121.06506	5.0
121.10156	2.1
123.08122	0.8
125.06010	0.9
126.34095	0.8
127.07545	1.1
129.07027	1.2
131.08563	4.2
133.06445	1.3
133.10123	1.8
135.08061	42.9
137.05966	1.7
143.08589	2.2
145.10143	3.2
147.08090	1.9
149.08574	1.0
149.09651	10.7
151.07489	0.7
153.09146	1.3
157.10162	1.7
158.66019	0.6
159.11694	3.0
161.13219	2.9
163.11200	2.0
165.09166	0.6
171.11685	3.1
185.13266	1.4
187.11203	1.0
189.12743	6.8
199.18256	0.9
203.14314	3.6
205.12260	1.9
207.13802	8.9
213.12746	2.2
223.72134	0.6
231.13832	4.5
249.14864	4.9
266.13831	0.7
267.15955	1.7
284.21924	0.6
307.52063	0.6
312.12939	0.7
344.24341	100.0
345.24762	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	344.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57581	0.9
52.09249	0.9
53.03938	1.1
53.34807	1.1
59.05004	34.6
61.02913	4.2
66.98203	0.9
67.37418	1.1
69.03430	5.4
70.06598	10.7
70.84594	2.6
72.08125	1.2
73.02901	1.1
77.06059	1.9
81.03409	2.7
82.82117	1.1
84.08125	1.3
85.02910	25.0
86.09731	1.9
87.04467	1.7
89.06032	10.1
91.05479	5.4
97.02898	6.5
98.97546	1.2
103.07586	36.6
109.02881	1.7
119.04245	1.2
119.04964	18.2
123.04436	2.0
127.03934	5.1
133.08606	4.4
134.04614	2.3
143.03159	1.9
145.04979	4.7
147.04417	100.0
151.94678	1.1
165.05484	52.0
165.11238	56.1
180.08746	1.5
182.04974	33.6
182.08134	1.3
219.36028	1.0
231.09767	4.0
344.09763	6.0
344.13373	3.9
344.17139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.01868	0.7
57.03431	0.9
61.02919	1.4
65.03914	0.5
69.03426	3.2
69.89415	2.5
70.06593	1.1
73.02914	0.7
81.03423	1.6
83.01332	0.4
84.08099	0.5
85.02911	14.1
86.09708	0.7
87.04469	0.9
89.06048	1.0
91.03970	0.6
91.05475	5.1
95.04975	0.7
97.02898	4.1
99.04448	0.8
109.02880	1.5
119.04949	19.6
123.04443	2.5
127.03939	3.4
137.06007	1.6
137.30569	0.4
145.04962	3.1
147.04419	100.0
148.04807	0.8
165.05489	49.1
180.08723	0.9
182.08047	0.9
184.32259	0.4
280.50018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03944	5.3
55.01875	8.5
55.05516	18.9
57.03429	9.0
57.07071	8.4
59.05003	7.1
63.51436	5.6
67.05518	27.9
69.03436	10.7
69.07065	8.8
69.74451	31.4
71.04994	24.1
79.05491	25.1
80.58617	5.1
81.07073	42.4
83.04974	6.3
91.05476	38.9
92.04481	4.9
93.07049	87.5
95.04982	66.1
95.08617	100.0
97.06551	17.9
98.30135	4.7
99.90584	5.1
105.07041	94.1
107.08601	62.5
109.06524	18.0
115.05457	9.0
117.07018	34.9
119.08601	38.3
121.06553	15.2
121.10163	18.3
123.08080	33.0
130.07797	20.1
131.08577	10.0
133.06549	7.4
133.10143	20.6
135.08083	27.0
135.11693	21.0
135.47600	6.1
137.09666	9.4
142.07755	6.2
143.08539	15.4
145.10147	95.3
147.08060	16.0
147.11725	7.4
149.09656	9.0
151.07549	48.9
157.10208	9.1
159.11705	6.8
161.09625	12.4
161.77382	5.4
163.11206	80.9
165.09113	30.7
169.10123	6.0
171.11732	7.2
173.09610	6.1
175.11150	6.4
177.09109	7.9
179.06882	5.6
183.11615	5.3
187.11217	7.0
189.12819	14.4
191.14313	6.7
199.11230	5.8
203.14479	9.6
207.11865	5.4
209.15286	6.8
221.15338	37.8
225.12662	8.1
233.15297	6.1
282.02054	5.2
286.19202	6.1
325.21616	17.8
343.22739	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.7
55.01872	6.7
55.05514	29.6
57.03431	12.1
57.07057	10.9
59.04989	8.2
61.03406	2.4
65.03933	5.5
67.05508	30.5
69.03429	13.1
69.07045	7.5
70.29848	9.5
71.04997	30.8
77.91979	2.8
79.05499	31.6
81.03424	3.3
81.07064	36.0
83.04974	11.6
85.06558	4.1
87.33965	2.9
91.05485	45.5
93.06494	4.5
93.07051	82.0
95.04977	59.8
95.08617	94.6
97.06539	21.4
99.04507	3.0
105.07033	99.4
107.04958	3.9
107.07893	3.4
107.08603	59.4
109.06544	22.6
109.10139	6.8
115.05476	14.8
117.07032	35.7
119.08582	31.3
121.06525	21.6
121.10154	15.1
123.08082	33.1
128.06172	6.2
129.07013	8.9
130.07776	18.3
131.08575	12.2
133.06499	7.1
133.10110	16.8
135.08081	26.3
135.11684	19.3
137.09613	8.6
142.07793	4.5
143.08569	17.3
145.10124	100.0
147.08023	16.2
147.11676	5.2
149.09590	6.1
151.07564	57.8
153.09106	7.4
155.08501	4.3
157.10133	10.1
159.11636	8.9
161.09587	13.1
161.13251	6.3
163.07544	4.0
163.09866	5.1
163.11189	77.9
165.09119	27.2
169.10081	5.4
171.11670	6.0
173.09639	6.8
173.13225	3.3
175.11098	3.6
177.09122	8.0
179.07071	6.3
179.10689	2.9
181.10114	5.1
181.12238	3.7
183.11763	4.7
185.09555	4.9
185.13333	4.1
187.11171	6.9
189.12807	13.5
190.71323	2.7
191.10794	3.7
191.14337	4.3
197.09535	2.8
197.13335	7.3
203.14299	15.0
207.10164	4.0
207.13840	9.9
209.15428	5.3
213.12788	4.1
215.14255	4.4
221.15363	32.8
223.15054	3.7
234.86644	2.9
243.13754	5.5
245.15611	2.6
263.16492	9.4
269.15375	6.2
283.16797	3.2
286.19217	8.6
325.21606	9.7
343.22659	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	343.2271
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.02393	1.9
53.03932	6.4
55.01862	8.6
55.05518	19.2
57.03435	9.9
57.07082	11.2
59.04985	6.2
65.03930	3.3
67.05517	30.9
69.03454	11.5
69.07059	7.1
69.32983	4.3
69.33401	13.8
71.04998	21.1
79.05505	27.4
81.03413	5.4
81.07066	31.6
83.04996	11.3
83.08626	3.6
85.06535	2.6
91.05493	42.5
93.06489	4.0
93.07052	74.6
95.04386	2.5
95.04977	58.0
95.08614	91.5
97.06534	15.8
103.05482	4.2
105.07040	97.1
107.04939	2.4
107.08603	59.2
109.06520	19.1
109.10160	6.4
111.08071	3.1
115.05457	8.8
117.07031	35.4
119.08594	31.8
121.06529	19.9
121.10162	22.3
122.07261	3.2
123.08075	27.1
125.09595	3.1
128.06210	4.6
129.07054	9.4
130.07805	17.7
131.08588	14.1
133.06516	7.3
133.10156	18.2
135.08066	31.9
135.11705	17.1
137.05917	2.2
137.09569	5.7
142.07788	4.4
143.08566	15.3
144.09285	2.1
145.06506	3.2
145.10136	100.0
147.08047	13.1
147.11664	7.0
148.08781	2.9
149.09610	7.8
151.07550	61.7
153.09087	5.2
154.07840	2.3
155.08574	5.4
155.82173	2.0
156.09383	4.1
157.10187	9.6
159.08029	2.4
159.11705	5.9
161.09642	9.4
161.13252	5.5
163.07527	2.4
163.11192	74.3
165.09148	21.1
167.08527	2.2
168.09357	2.2
169.10153	6.6
171.11732	5.8
173.09624	6.6
173.13277	4.3
175.11208	6.9
177.09148	5.6
179.07051	2.5
179.10651	1.9
181.10132	5.2
181.12215	4.8
182.10825	2.0
183.11674	4.0
185.09662	2.9
187.11183	9.2
189.12758	14.8
191.14386	4.9
195.11891	1.9
197.13354	4.0
199.11177	3.4
199.14789	2.2
201.12776	2.4
203.14320	12.0
207.13866	6.7
209.13390	3.9
209.15353	4.9
211.14667	3.0
213.12708	2.6
215.14349	4.5
217.12044	2.8
221.15419	32.4
223.14902	2.9
225.12740	2.5
227.14308	2.2
233.15399	6.6
243.13824	2.5
245.15341	2.4
263.16446	8.9
267.17374	2.1
269.15515	4.3
286.19379	3.4
287.16611	3.5
325.21674	13.0
343.19141	7.5
343.22699	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	6beta,17-Dihydroxy-3,5-cyclo-5alpha,17alpha-pregn-20-ene-21-carboxylic acid, gamma-lactone
Peak:m/z	Relative Intensity
53.03928	5.2
55.05522	25.7
64.96136	5.0
67.05510	51.0
68.14783	4.7
68.98837	4.6
69.03436	7.9
69.07060	18.1
70.25999	16.0
78.39110	4.8
79.05505	63.4
81.03409	5.6
81.07069	75.4
83.04990	26.1
91.05487	81.8
93.07055	96.9
95.04981	15.3
95.08613	63.0
97.06528	12.6
105.07047	100.0
107.04969	5.9
107.08616	78.3
109.06520	14.3
109.10154	26.2
116.10816	4.6
117.07030	46.8
119.08591	60.3
121.06577	7.4
121.10139	24.4
123.08099	5.8
128.06235	9.8
129.07037	34.0
131.08589	82.1
133.06459	5.5
133.10167	48.6
135.08095	11.0
135.11722	15.5
137.05983	11.9
137.09645	10.0
141.07005	18.1
142.07779	15.9
143.08594	53.0
145.10146	59.3
147.11687	22.9
149.09647	5.6
152.59669	4.8
153.07063	10.0
154.07785	9.1
155.08571	30.0
156.09361	8.1
157.10165	41.0
159.08075	6.0
159.11703	49.6
161.09573	5.7
161.13261	12.9
163.11205	9.5
165.07028	10.1
167.08620	13.4
169.10152	32.1
171.11703	47.3
173.09596	10.7
173.13283	25.6
175.11185	13.3
179.08525	7.8
181.10097	23.1
183.11742	36.8
185.13239	28.8
187.11174	11.8
187.14922	7.3
193.10268	6.7
193.12291	6.1
194.10959	9.4
195.11722	27.0
197.13316	34.1
199.14839	22.4
201.12755	10.2
207.11687	6.9
209.13281	40.4
211.14876	10.4
213.12848	7.7
213.16393	7.0
214.18039	16.9
215.10626	6.2
215.14403	9.1
215.18416	25.7
220.29037	4.6
223.14845	24.3
225.16513	23.7
227.14473	19.2
227.17912	11.4
236.74709	5.4
237.16464	11.7
239.17952	8.3
241.15932	7.6
255.17397	5.5
255.21130	18.8
265.19595	63.0
283.20551	95.5
299.16635	6.4
301.21704	13.7
311.12723	5.4
325.21774	7.4
343.19138	9.1
343.22729	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01871	2.0
55.05313	1.4
55.05516	15.4
57.03444	3.5
59.05005	2.1
65.03932	2.0
67.05511	12.7
69.03426	6.6
69.07069	13.5
70.25097	5.6
71.04994	3.3
73.31601	1.8
79.05497	19.9
81.07060	28.3
83.05009	10.2
83.08633	3.7
84.04321	1.7
91.05483	16.1
93.07049	21.0
95.04994	3.9
95.08609	14.7
103.05450	2.0
105.07040	27.3
107.04984	1.7
107.08601	19.6
109.06517	5.1
109.10162	6.7
113.06065	1.9
115.05486	2.7
117.07018	8.7
119.04940	4.0
119.08581	15.0
121.06503	4.9
121.10155	10.3
125.09622	6.5
128.06232	6.8
129.07010	9.4
130.07817	2.2
131.08578	18.3
133.06488	3.9
133.10150	6.5
135.08047	6.4
135.11708	3.8
139.44023	2.0
141.06992	5.6
142.07785	6.7
143.08577	17.3
145.06509	3.5
145.10146	13.7
147.08070	5.8
147.11702	4.0
149.09683	3.2
151.07637	1.7
153.07018	1.8
154.07790	2.7
155.08554	11.1
156.09338	2.4
157.06520	3.0
157.10141	15.7
158.07352	2.5
159.08092	5.2
159.11722	11.0
161.05997	6.4
161.09633	7.1
161.13280	4.5
163.07529	3.9
165.07001	3.7
167.08551	4.6
168.09366	2.0
169.10130	12.6
171.08078	4.9
171.11716	8.8
172.08855	3.1
173.09634	7.5
173.13313	4.9
175.07588	5.0
175.11198	4.0
177.09106	1.7
179.08595	3.1
180.09372	4.8
181.10138	6.8
182.10890	2.9
183.11670	8.3
184.08870	2.4
185.09653	7.1
185.13287	7.4
187.07523	4.3
187.11183	5.4
187.14841	2.6
189.09123	15.0
189.12744	1.8
193.10135	2.4
195.11699	7.6
197.09773	3.2
197.13261	7.9
198.10406	4.3
199.07571	4.6
199.11188	6.7
199.14838	6.6
201.09206	3.8
201.12743	6.0
203.10680	8.4
209.13293	7.3
211.11218	6.0
211.14828	3.0
212.12003	3.1
213.09171	14.5
213.12672	10.7
213.16238	2.1
214.09729	2.5
215.10756	9.9
215.14290	4.0
217.08565	1.8
217.12221	3.0
223.11295	2.6
223.14909	5.1
225.09183	8.7
225.12764	3.5
225.16438	4.6
226.09920	5.3
226.13553	2.0
227.10715	18.6
227.14346	5.8
228.11502	10.3
229.12254	14.6
230.12976	4.3
231.10187	3.4
231.13727	2.8
237.12744	3.0
239.10722	6.4
239.14241	2.1
240.11531	3.4
241.12242	31.6
241.15875	2.1
243.10240	4.1
243.13947	4.3
245.11813	2.4
249.11343	5.1
253.12215	8.0
254.12964	2.8
255.10391	2.2
255.13828	10.7
255.17474	4.8
255.21086	6.4
259.09692	3.9
261.11282	6.2
263.12827	8.9
265.12073	1.9
265.15985	2.6
265.19553	10.7
268.14713	3.6
269.11838	2.2
269.15323	2.0
271.09882	2.0
271.13129	2.3
281.15433	4.7
283.13510	5.6
283.16986	49.9
283.20551	18.4
285.14874	2.2
287.12787	11.7
288.13611	5.9
297.18558	7.4
299.12823	3.3
300.13596	6.8
301.14331	10.3
301.18030	11.3
301.21039	2.1
315.16220	1.7
315.19601	4.9
325.18118	9.2
325.21530	2.7
328.16724	1.9
343.19070	100.0
343.22812	16.8
344.19290	3.1
344.85217	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1908
Annotation	Preracemosol A
Peak:m/z	Relative Intensity
50.94491	1.7
55.05522	9.3
56.90464	1.7
57.03426	9.5
65.03937	2.3
67.05502	12.5
69.03420	9.0
69.07072	19.9
70.46487	7.2
79.05495	7.8
80.51167	2.1
81.07050	8.5
83.04968	5.5
83.08628	2.8
91.05479	17.7
93.07041	8.9
95.04945	3.8
95.08611	3.8
97.06514	3.5
105.07030	9.0
107.04956	9.4
107.08591	8.5
109.06514	3.3
109.10146	16.3
115.05441	2.7
117.07007	2.5
119.04967	4.0
119.08603	9.0
121.06509	6.3
121.10159	4.8
123.04380	2.3
123.08060	3.9
128.06190	3.1
129.07007	7.0
131.08565	4.5
133.02901	2.9
133.06465	4.0
135.08063	7.3
135.11681	4.0
137.05965	5.4
141.07013	3.8
143.08531	5.9
145.06494	5.4
145.10130	9.9
147.04430	23.4
147.08018	5.4
149.06020	16.7
152.15657	1.8
153.07047	2.1
154.07793	4.5
155.08551	5.3
157.10173	3.5
158.07236	4.7
159.08060	7.4
159.11688	9.0
161.05992	8.7
161.09549	4.8
161.13287	4.8
163.07581	12.3
163.11195	8.6
165.05489	11.3
165.06949	4.0
166.07716	2.3
167.08514	3.1
169.06497	3.1
169.10158	10.5
171.08046	6.2
172.08830	5.2
173.06033	3.4
173.09647	8.5
174.06766	2.5
175.07538	4.9
176.08344	3.5
177.09149	17.8
177.12694	4.2
179.08556	4.0
180.09302	3.1
183.08031	3.6
183.11566	2.5
184.08842	3.4
185.09631	7.2
186.06868	4.9
187.07549	7.0
187.11151	8.8
189.09111	11.2
193.10075	2.3
195.08047	4.6
195.11639	2.5
196.08870	2.3
197.06007	2.8
197.09630	13.8
198.10388	3.5
199.07600	3.9
199.11168	8.3
200.08365	4.6
201.09108	18.8
203.07149	2.6
203.10718	3.9
205.08690	2.0
205.12256	16.8
208.09062	2.5
209.09572	3.4
211.07521	7.4
211.11215	6.3
212.08243	3.9
213.09091	8.5
213.12762	7.2
215.07288	3.3
215.10687	51.0
217.08603	3.8
223.11206	7.0
225.09067	6.3
225.12712	4.0
226.09827	5.7
227.10664	39.1
229.08754	9.7
229.12291	13.8
231.10092	3.5
233.11736	2.3
237.12825	3.1
239.10696	3.5
239.14337	12.6
241.12257	32.8
243.10179	25.2
243.13889	3.7
245.08000	2.7
245.11626	2.7
247.09674	20.7
251.10739	2.4
254.13158	2.3
255.13896	6.1
257.11655	5.6
259.13211	2.2
261.11252	100.0
267.13794	12.3
269.11716	23.2
273.11200	4.1
274.11954	3.7
275.12808	16.6
281.19052	6.5
283.13260	6.2
283.16940	16.7
285.14789	7.1
287.12756	38.8
297.18524	27.8
299.16379	5.2
299.19919	2.5
325.17987	46.4
328.16925	2.3
343.15347	3.2
343.19019	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	343.1907
Annotation	Serpendione
Peak:m/z	Relative Intensity
55.05502	6.5
57.03431	3.3
57.07088	2.2
57.53760	1.4
58.86444	1.5
67.05500	10.7
69.03434	7.2
69.07064	10.4
69.24872	13.5
71.04993	5.0
79.05501	12.5
81.07062	19.6
82.40837	1.4
83.04983	4.8
83.08614	3.9
91.05471	13.3
93.07043	11.9
94.15305	1.5
95.04967	4.4
95.08607	9.9
97.06544	2.9
98.20779	3.0
105.07041	19.5
107.08605	12.9
109.06554	2.5
109.10159	3.1
117.07014	7.5
119.04959	1.8
119.08587	8.5
121.06492	4.2
121.10151	6.4
123.08073	2.4
123.94528	1.4
125.09649	6.4
128.06238	4.5
129.07039	8.8
130.07785	1.9
131.08578	11.2
133.06482	2.3
133.10147	5.6
135.08044	4.8
140.96942	2.1
141.07024	3.5
142.07825	5.8
143.08553	12.1
145.06425	2.9
145.10155	10.0
147.08089	3.1
147.11725	3.7
149.09573	2.6
154.07805	2.2
155.08565	7.1
156.09334	2.6
157.10164	11.3
158.07350	2.1
159.08018	4.5
159.11688	9.6
160.08789	2.0
161.05995	4.4
161.09650	4.2
161.13277	2.5
163.07532	2.9
165.07047	2.1
167.08585	4.6
169.10066	7.0
171.08098	7.1
171.11685	8.0
172.08792	2.6
173.09630	6.4
173.13300	4.2
175.07516	4.8
175.11172	2.5
177.09213	2.0
179.08586	2.4
180.09435	2.2
181.10146	6.7
183.08057	2.6
183.11633	7.4
184.08832	1.8
185.09657	7.2
185.13307	5.9
187.07574	4.9
187.11212	6.0
187.14850	2.8
188.08432	3.0
189.09120	11.4
189.12666	2.1
194.10849	1.8
195.11714	6.5
197.09726	3.8
197.13289	4.8
198.10301	1.8
199.07610	4.3
199.11188	6.5
199.14830	4.3
201.09166	4.6
201.12759	5.5
203.10701	7.8
208.12448	2.3
209.09618	2.1
209.13269	6.6
210.13852	1.8
211.07574	4.0
211.11205	4.2
211.14833	1.7
212.08348	2.9
213.09129	12.9
213.12680	12.1
213.16283	1.7
215.10704	9.0
215.14296	2.7
217.12250	3.6
223.11183	5.1
223.14844	3.7
224.12018	1.9
225.09134	8.6
225.12732	3.6
225.16464	2.9
226.09924	3.6
227.10674	20.4
227.14183	7.1
228.11343	7.3
229.12189	13.7
230.12962	2.8
231.10265	2.4
237.12784	1.9
237.16571	1.9
239.10735	5.2
240.11443	3.9
241.08569	2.0
241.12253	30.8
241.15886	2.6
243.10129	2.4
243.13843	4.2
245.11794	3.9
249.11275	6.5
251.17978	1.8
253.12300	5.0
254.13022	2.6
255.13853	8.4
255.17500	4.6
255.21111	3.6
257.11591	2.5
259.09738	5.1
261.11288	6.8
263.12869	8.2
265.15793	2.3
265.19510	7.0
268.14566	3.3
269.11639	2.9
271.09778	2.7
273.11264	2.0
279.17661	1.7
281.15387	3.0
283.13419	6.5
283.16965	43.7
283.20569	13.3
285.15070	2.1
287.12811	9.8
288.13486	5.1
296.95007	1.5
297.18539	6.2
299.12790	3.4
300.13620	5.1
301.14377	10.1
301.18036	9.6
315.16019	1.9
315.19400	3.7
325.17984	9.5
325.21753	3.0
343.08142	2.7
343.19064	100.0
343.22794	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	343.1906
Annotation	[4S-[4alpha(E),4aalpha,5alpha]]-4,4a,5,6,7,9-Hexahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methyl-2-pentenoic acid
Peak:m/z	Relative Intensity
53.03939	2.4
55.01863	2.4
55.05514	18.0
57.03428	2.5
57.07065	2.3
65.03954	2.3
67.05499	9.5
69.03433	6.5
69.07065	8.7
69.69372	5.0
69.69788	6.4
71.04996	66.1
71.74165	2.0
77.64364	2.0
79.05477	8.0
81.03407	4.6
81.07061	11.6
83.04972	21.9
85.02909	14.9
85.06527	3.7
91.05478	10.9
93.07042	7.2
95.04972	5.5
95.08588	5.6
97.02892	2.7
97.06516	12.7
105.07022	10.1
107.04969	2.3
107.08591	8.7
109.02900	10.5
109.06479	3.1
109.10159	3.8
111.04436	19.3
117.07004	2.9
119.04942	3.4
119.08569	4.7
121.06509	12.6
121.10159	3.2
127.03887	2.0
127.11196	33.8
128.06229	3.8
129.06987	5.0
131.08578	2.5
131.17528	1.9
133.06488	3.6
133.10114	4.3
135.04411	3.6
135.08041	7.4
135.11644	2.6
137.05989	4.2
141.06998	5.3
142.07689	3.1
143.08537	6.9
145.06479	5.4
145.10100	10.2
147.08052	5.2
149.05931	3.6
149.09683	2.4
151.07570	5.0
155.08572	6.0
157.06491	2.0
157.10132	3.7
158.07285	6.2
159.08028	9.8
159.11656	4.3
161.05934	2.9
161.09608	14.6
163.07500	3.8
167.08524	2.9
169.08626	13.0
169.10045	3.7
171.08073	13.6
172.08771	3.5
173.09627	83.3
175.07562	4.2
175.11214	5.6
179.08513	3.5
181.12328	2.5
183.08086	2.4
183.11731	3.1
185.09619	16.4
187.07538	3.2
187.11211	6.6
189.09113	7.7
193.10178	2.4
195.08124	2.4
196.08867	3.5
197.09595	10.3
198.10526	3.4
199.07623	11.9
199.11243	7.6
201.09140	5.5
201.12851	2.4
209.09631	5.9
211.11250	4.9
213.09023	4.4
213.12753	3.2
214.09648	1.8
215.07065	2.0
215.10703	5.7
217.08611	24.3
217.12129	2.6
217.15910	3.5
223.11232	5.0
225.12671	2.5
227.10684	7.8
227.14470	3.3
228.11469	2.7
229.12289	2.6
231.10263	4.8
239.10733	5.4
239.14214	3.7
240.11320	2.0
241.12256	9.2
243.10056	5.5
245.15392	20.0
247.13216	3.3
249.08940	2.2
253.15854	2.3
255.13632	4.8
257.11755	2.6
257.15347	2.9
281.15402	2.6
283.16891	5.0
283.19958	2.4
285.14850	6.2
297.18390	4.8
299.16470	2.7
307.16919	3.0
311.12872	2.6
313.18076	2.9
325.14551	3.1
325.17950	13.9
343.15616	5.4
343.19034	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1905
Annotation	Swartziarboreol C
Peak:m/z	Relative Intensity
53.03954	2.4
55.01860	1.7
55.05514	11.2
56.01076	1.0
56.23339	1.1
57.03445	2.2
57.07084	1.6
66.91795	1.0
67.05506	7.2
69.03432	2.8
69.07069	2.9
71.04996	39.4
71.50842	1.0
71.51253	2.2
79.05495	4.5
81.07056	6.8
83.04985	10.0
83.08617	3.3
85.06525	1.2
91.05496	5.9
93.07053	9.6
95.04977	6.6
95.08599	9.3
97.06528	3.5
99.08091	1.1
105.07032	11.0
107.04983	1.6
107.08598	7.4
109.06533	2.6
109.10166	9.5
115.05453	2.4
117.07013	5.2
119.04948	1.4
119.08602	6.0
121.06513	2.6
121.10148	4.2
123.04413	1.2
123.08099	3.0
125.09679	1.3
126.53231	1.1
127.11200	100.0
128.06219	2.5
129.07014	2.9
130.07779	1.8
131.08568	3.6
133.06491	2.0
133.10158	3.3
135.08084	3.7
135.11705	1.2
141.07008	2.6
141.88130	1.1
143.08527	4.8
145.06570	1.4
145.10126	11.1
147.04428	1.1
147.08037	2.4
147.11644	1.3
149.09613	2.0
151.07521	3.5
153.07040	1.5
154.07845	2.2
155.08569	2.8
156.09401	1.2
157.10155	2.8
158.07265	2.9
159.08049	2.3
159.11697	2.5
160.05215	9.6
161.05983	9.4
161.09615	3.8
163.11205	5.3
165.06995	1.1
165.09187	2.5
167.08557	1.7
169.10147	2.3
171.08192	1.5
171.11653	2.8
172.08925	1.5
173.09581	2.4
174.06773	1.7
175.07590	1.4
175.11241	1.7
183.11713	1.6
185.09621	1.3
185.13203	1.7
187.11191	1.0
189.09109	12.9
189.12849	1.7
197.09605	5.3
197.13251	1.2
198.10451	1.3
199.11177	4.5
201.09138	3.2
201.12642	1.3
203.10722	2.0
203.14374	1.6
213.12680	1.5
215.10713	5.3
217.08604	26.5
221.15427	3.4
223.11179	1.1
223.14803	1.2
227.14226	1.4
229.08757	6.2
229.12277	2.4
233.15332	1.4
240.23187	2.2
241.12196	8.9
243.10220	11.5
250.10205	1.1
255.13954	1.6
257.11780	4.5
269.11868	6.9
269.14551	0.9
283.13303	2.1
297.18661	5.0
325.17938	4.0
325.21689	3.1
343.18997	6.3
343.22787	12.6
363.78973	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13095	1.8
53.03940	4.4
53.14527	1.6
55.01865	3.0
55.05497	6.3
58.14920	1.9
63.03217	2.0
67.05508	11.2
68.72997	1.9
69.03419	7.7
69.07064	5.3
69.34355	11.8
69.34768	4.4
71.05000	12.6
79.05492	20.2
81.03417	2.6
81.07047	19.5
83.04992	3.7
85.06537	2.7
91.05485	46.8
93.07054	27.2
95.04960	7.6
95.08605	15.2
97.02877	2.3
97.06527	10.4
98.20718	3.1
103.05497	2.8
105.07034	46.6
107.08592	10.5
109.06500	4.4
109.10122	5.2
117.07011	8.3
119.08585	81.9
121.10168	9.7
123.08091	10.3
129.06982	2.8
131.08582	2.8
133.04999	2.2
133.06535	2.3
133.10132	2.8
135.08058	25.9
137.05952	5.6
137.09618	24.3
142.03268	1.9
142.07851	2.7
145.10088	3.1
147.08139	2.2
147.11690	74.0
157.10085	2.9
163.11115	2.6
165.12761	63.0
175.11188	59.9
191.10655	2.4
193.12259	100.0
194.12579	2.2
201.74448	1.7
211.13251	6.2
221.06198	1.8
257.57211	2.3
307.15338	4.6
325.16550	17.8
328.05743	3.4
343.08295	3.6
343.17773	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	343.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82610	1.2
53.03951	2.9
55.01879	2.5
55.05508	2.7
57.03435	2.8
61.02922	5.6
67.05508	6.7
69.03427	15.2
69.07065	2.1
70.83576	3.2
71.04996	6.5
73.02920	2.4
76.32043	1.5
78.62260	1.3
79.05508	5.5
81.03413	4.6
81.07053	10.1
83.04987	7.6
85.02912	35.0
85.06545	3.4
87.04480	3.0
91.05466	7.0
93.07047	17.5
95.04981	22.4
95.08620	5.1
97.02906	12.5
97.06525	4.2
99.04478	2.6
103.04020	1.3
105.07042	11.6
107.08577	12.9
109.02879	5.0
109.06527	5.4
109.10179	6.3
111.08065	2.1
117.07037	2.3
119.08575	11.4
121.06498	2.9
121.10162	13.2
123.08079	3.8
125.06012	13.2
127.03913	7.4
129.05331	1.5
130.07822	5.0
135.11667	7.4
137.06064	3.5
137.09622	63.5
143.08583	1.7
145.05006	7.9
145.10120	17.0
147.08063	1.8
147.11699	3.0
161.09668	1.8
163.11189	100.0
165.12770	9.5
167.06978	2.0
175.11200	5.1
175.36383	1.7
181.12256	17.6
187.11208	1.6
193.12238	14.9
197.69611	1.5
211.13338	4.4
221.99324	1.4
223.13402	2.7
343.17612	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13095	1.8
53.03940	4.4
53.14527	1.6
55.01865	3.0
55.05497	6.3
58.14920	1.9
63.03217	2.0
67.05508	11.2
68.72997	1.9
69.03419	7.7
69.07064	5.3
69.34355	11.8
69.34768	4.4
71.05000	12.6
79.05492	20.2
81.03417	2.6
81.07047	19.5
83.04992	3.7
85.06537	2.7
91.05485	46.8
93.07054	27.2
95.04960	7.6
95.08605	15.2
97.02877	2.3
97.06527	10.4
98.20718	3.1
103.05497	2.8
105.07034	46.6
107.08592	10.5
109.06500	4.4
109.10122	5.2
117.07011	8.3
119.08585	81.9
121.10168	9.7
123.08091	10.3
129.06982	2.8
131.08582	2.8
133.04999	2.2
133.06535	2.3
133.10132	2.8
135.08058	25.9
137.05952	5.6
137.09618	24.3
142.03268	1.9
142.07851	2.7
145.10088	3.1
147.08139	2.2
147.11690	74.0
157.10085	2.9
163.11115	2.6
165.12761	63.0
175.11188	59.9
191.10655	2.4
193.12259	100.0
194.12579	2.2
201.74448	1.7
211.13251	6.2
221.06198	1.8
257.57211	2.3
307.15338	4.6
325.16550	17.8
328.05743	3.4
343.08295	3.6
343.17773	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	343.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.1
55.01863	5.0
55.05515	23.0
57.03420	4.7
59.04989	2.7
64.88953	1.4
67.05510	31.8
69.03413	5.4
69.07076	18.4
69.85239	4.2
69.85648	2.9
71.05005	7.1
79.05498	24.6
81.07066	99.9
82.07391	1.5
83.04574	1.6
83.04995	23.4
83.08616	5.0
84.34881	1.3
85.06547	6.2
87.04459	5.4
91.05491	33.1
93.07058	15.3
95.04965	4.7
95.08617	22.9
97.02882	4.1
97.06527	9.6
99.08093	4.1
101.05987	1.8
105.07041	49.9
107.08606	15.4
109.06541	8.4
109.10151	1.7
111.04440	1.3
113.05974	1.8
115.03948	12.0
115.05501	1.3
119.08595	36.3
121.10159	23.5
123.08051	6.1
123.11719	26.0
125.05989	1.7
127.07516	1.9
128.06221	1.9
129.07004	3.8
133.10118	4.5
137.13242	5.7
143.08560	2.1
145.10146	2.9
147.11700	100.0
157.10118	5.9
165.12772	69.0
165.13928	1.2
169.10155	2.0
175.11211	9.8
183.13820	8.5
187.06010	3.9
193.12279	15.7
197.09651	3.9
203.91223	1.6
211.13318	2.7
225.09271	1.5
226.07472	2.0
229.14339	22.0
233.15262	1.6
243.10233	2.1
245.15936	1.3
261.14890	2.6
279.15872	3.8
297.17017	54.9
307.15240	2.2
325.16446	30.7
343.18024	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	343.1541
Annotation	CHEBI:65833
Peak:m/z	Relative Intensity
53.03949	3.0
55.05518	63.7
57.37235	1.3
65.07645	1.6
67.01861	2.2
69.07040	1.4
70.67443	1.8
70.67776	3.5
79.05503	2.9
81.07026	1.7
83.04990	100.0
89.98889	1.3
91.05488	4.1
95.04951	1.7
96.77508	2.0
97.06555	1.4
105.07024	5.1
107.08588	1.5
115.05505	1.6
117.07011	3.2
119.08531	2.2
128.06270	2.8
129.07016	1.8
133.10153	2.5
141.06976	2.1
143.08583	4.2
145.10117	2.8
147.08070	1.9
154.07759	2.4
155.08568	2.7
157.10049	1.6
161.09662	4.5
169.10149	3.4
171.08064	2.4
173.09737	1.9
189.09116	5.3
197.09534	3.1
201.09039	1.9
215.10645	2.7
217.08643	9.2
225.09077	2.2
243.10289	3.1
245.08090	10.3
279.13940	2.2
297.15024	1.9
325.14374	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1543
Annotation	CHEBI:65833
Peak:m/z	Relative Intensity
53.03953	3.5
53.58010	1.2
55.05518	88.8
67.05528	1.3
69.07066	2.7
70.21352	3.1
70.21744	2.7
77.61082	1.2
79.05489	1.8
80.53051	1.3
81.07076	1.9
83.04990	100.0
84.05314	2.1
88.67114	1.1
91.05482	4.0
95.05013	1.6
100.85813	1.3
105.07031	3.8
119.08595	1.7
121.06582	1.5
128.06238	4.1
129.07008	10.0
130.07709	1.6
131.08575	1.7
141.07019	13.8
142.07713	1.2
143.08580	9.1
144.05692	1.3
145.06499	2.5
145.10115	2.8
152.06235	3.3
153.07022	9.5
154.07794	27.4
155.08516	4.6
156.09366	2.8
157.06493	5.1
158.07364	6.0
159.08054	3.2
165.07025	5.3
166.07805	2.7
167.08580	5.1
169.06609	2.9
169.10146	42.5
171.08086	5.6
171.11751	4.1
173.09685	6.6
175.07552	1.2
178.07770	2.7
179.08595	9.3
181.06485	6.4
181.10112	2.6
182.07291	17.7
183.08055	3.9
184.08942	2.9
185.09557	1.6
187.11203	4.6
189.05594	1.6
189.09200	2.8
195.08023	1.4
197.09631	68.9
198.10147	2.0
198.63773	1.2
199.11200	15.0
201.09045	2.2
211.11241	1.3
213.09097	2.6
215.10687	10.0
223.07593	2.0
225.09171	9.2
227.10614	5.9
241.12395	2.3
243.10204	51.9
245.11816	2.1
255.10294	3.4
261.11221	2.6
272.82458	1.5
283.17169	1.4
343.15436	58.9
343.18918	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	343.1542
Annotation	CHEBI:65833
Peak:m/z	Relative Intensity
53.03958	10.6
53.24930	2.1
54.89267	1.9
55.01879	4.1
55.05516	68.8
61.29575	2.2
65.03929	2.4
67.01871	2.2
67.05499	12.2
69.03435	4.7
69.07064	5.0
70.25819	8.1
71.04992	2.8
77.03915	2.5
79.05507	15.4
81.07063	41.4
83.04986	100.0
83.08618	3.0
85.02921	2.4
85.06531	2.8
91.05487	52.4
91.06032	4.1
93.07040	22.2
95.04966	9.7
95.08618	5.7
97.02908	3.6
97.06538	2.5
105.04568	2.7
105.07049	24.1
107.04957	8.8
107.08577	6.6
109.06526	5.0
115.03973	3.3
115.05492	6.2
116.69925	2.3
117.07044	4.7
119.04953	12.9
119.08585	14.2
121.06513	5.3
121.10119	8.5
123.04449	2.4
123.11710	9.6
128.06206	12.4
129.07028	17.0
131.08565	6.7
131.09433	2.0
133.06477	3.1
135.04427	8.1
137.05984	10.7
141.07001	21.4
142.07825	2.2
143.08563	12.7
145.06508	2.7
145.10129	4.5
147.04472	7.2
147.08110	5.7
147.11700	32.8
152.06221	3.3
153.06995	7.9
154.07788	26.9
155.08609	5.4
157.06544	2.7
157.10178	2.7
158.07300	4.5
159.08119	4.5
159.11726	3.1
163.03844	2.5
165.05510	6.5
165.06961	4.7
165.12781	19.5
166.07799	3.5
167.08588	4.8
169.10155	26.0
171.08076	6.8
171.11748	3.3
172.08865	2.6
173.09648	3.6
175.11218	3.1
178.07788	5.4
179.08612	11.8
180.09384	2.7
181.06471	3.3
182.07275	11.2
183.06543	2.2
183.08072	2.5
183.13847	2.2
183.44586	2.1
187.11212	4.9
188.06866	3.3
193.12276	2.7
196.09404	3.9
197.09634	34.4
198.10541	2.5
201.09070	3.1
215.10706	12.7
216.55092	2.1
225.09076	13.9
229.14363	6.0
243.10204	34.7
245.15724	3.5
273.43155	2.4
297.16974	15.5
325.16525	8.9
343.16061	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	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.2
55.01872	8.7
55.05275	4.9
55.05517	63.7
56.01012	5.8
57.07068	3.8
59.04987	4.8
60.04533	51.8
67.05515	30.9
69.03431	9.2
69.07078	21.8
69.85558	16.7
70.06593	5.1
71.04980	4.7
72.04496	4.2
79.05501	41.9
81.07074	43.9
83.04996	22.4
83.08622	35.2
88.07635	45.1
91.05480	25.3
93.07066	26.8
95.04957	6.8
95.08611	20.2
97.06510	7.8
97.10180	72.0
105.07050	30.9
107.04997	9.0
107.07897	5.6
107.08613	100.0
109.06514	7.4
109.10147	9.2
111.08016	4.1
117.07037	5.7
119.08595	11.9
121.10184	10.5
125.09642	76.4
129.06996	5.2
131.08577	4.4
133.10162	10.9
135.08063	20.2
143.08607	5.8
145.10126	18.3
147.11697	12.1
151.07616	8.1
153.09111	13.7
157.10104	5.1
157.12219	9.9
159.11713	4.7
161.09583	5.4
169.10123	5.5
203.12787	89.5
203.14566	7.7
203.22527	4.2
214.09477	6.6
221.15321	4.9
222.62201	4.3
226.05394	5.3
237.11191	4.8
257.19012	10.4
275.19922	35.7
280.26547	6.5
285.14871	5.6
289.21521	7.8
298.27286	9.0
307.22644	6.2
342.30032	18.3
343.22861	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	342.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.8
57.03425	6.2
69.03425	5.0
70.06577	3.0
70.67472	7.0
71.08621	8.1
72.15907	2.7
79.05468	4.0
79.76186	2.4
81.03383	2.6
81.07072	16.8
85.02917	15.3
85.06540	3.3
97.02845	5.3
99.08108	22.7
103.07572	8.4
109.06547	19.2
109.48427	2.8
117.09140	100.0
127.03975	3.3
127.07565	49.1
129.06981	2.7
137.05963	9.8
138.06317	3.9
163.09656	24.7
177.97859	3.1
188.07899	2.8
218.08990	3.5
227.37582	3.0
260.07474	3.2
260.12726	2.9
264.10776	2.7
292.10541	4.7
324.13367	4.4
342.14182	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	342.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.1
53.68193	1.0
55.05522	6.4
56.00289	1.2
57.07083	12.9
59.04996	1.9
61.02917	2.5
67.05489	1.1
69.03432	3.8
70.06595	19.9
70.56320	3.2
79.05483	2.4
81.03407	2.1
83.08615	3.4
85.02907	15.0
86.09709	3.1
89.06038	36.1
91.05463	1.8
93.07026	1.3
97.02902	4.6
99.04498	1.4
101.09672	14.4
106.07372	1.1
107.07078	34.7
107.08593	1.3
121.10158	1.4
127.03941	2.2
137.06035	2.1
138.06320	1.9
145.04970	3.9
149.09662	1.3
161.05930	1.2
163.13304	100.0
164.13609	1.6
175.07559	1.5
229.15494	6.5
292.10382	1.2
293.21863	1.3
302.24020	1.1
310.11551	1.8
342.14169	3.1
342.19125	2.3
364.64047	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01885	1.0
56.05045	0.5
57.03434	1.2
60.04533	0.8
61.02927	0.9
69.03426	2.4
69.07079	1.0
69.10096	0.5
70.02957	2.1
70.06595	0.8
70.18436	0.4
70.93487	0.5
70.93829	1.0
72.08154	1.7
73.02939	1.0
78.78268	0.5
79.05490	0.8
81.03420	0.6
81.07044	1.4
83.04971	0.6
84.04517	1.1
84.08137	0.4
85.02907	5.9
86.09715	1.1
91.05482	3.1
93.07059	4.9
95.04988	1.0
97.02895	2.0
103.05466	3.9
105.07025	0.8
109.06551	0.5
111.05546	0.9
116.03460	1.4
118.31924	0.5
121.06511	100.0
122.06850	0.9
126.05429	0.5
127.03950	0.8
135.08052	0.7
136.12000	0.5
137.05983	4.1
138.06308	1.8
138.09148	28.8
139.05040	1.6
143.73447	0.5
145.05023	0.7
147.04419	0.5
155.07037	1.3
163.07565	0.9
165.05424	0.5
167.11830	1.0
175.07516	1.0
176.07825	0.6
180.10204	69.4
181.08606	2.5
181.10608	0.7
188.07788	0.7
195.11299	5.0
199.09633	4.0
207.59789	0.5
210.04034	0.5
220.08371	0.5
224.09122	0.7
234.07603	0.9
252.08681	1.6
270.09686	2.0
277.21259	0.6
280.10391	0.7
292.10565	1.3
297.11090	0.5
312.13132	0.6
324.12946	0.6
342.14697	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.0
55.05505	3.2
57.03437	7.3
63.75559	2.1
63.91097	1.9
69.03433	4.6
70.06612	4.8
70.64011	6.5
71.05011	3.2
71.08633	4.9
72.08158	2.3
79.05502	4.1
81.03400	2.5
81.07058	13.7
84.08134	2.0
85.02909	13.0
85.06535	3.6
86.09755	2.6
95.04971	2.5
97.02896	4.3
99.08109	18.3
103.05479	2.1
105.07013	2.0
105.37067	2.1
109.06522	17.2
111.05591	6.4
117.09135	100.0
125.07110	2.6
127.05062	2.6
127.07552	36.5
137.05957	13.0
137.09659	2.8
138.06348	8.2
139.05045	8.8
151.03931	2.5
153.05402	2.2
153.06662	2.8
162.05536	8.2
163.09671	18.2
167.11925	4.0
180.03810	2.6
187.07632	3.5
188.07875	4.1
192.08897	2.3
195.11304	24.0
218.08945	3.2
221.09198	3.1
249.08771	3.7
264.11072	2.4
272.10141	2.7
286.48785	2.2
292.10492	7.9
324.12875	6.3
342.14410	3.4
355.63913	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.175
Annotation	Acuminatin
Peak:m/z	Relative Intensity
53.03944	1.6
54.84869	0.6
55.01872	1.1
55.05513	3.1
57.03429	0.6
57.07064	1.4
65.03906	0.8
67.01855	2.2
67.05494	2.3
69.03419	1.7
69.07059	2.8
69.35460	4.9
71.04997	8.1
71.08639	0.9
79.05499	3.9
81.07063	3.0
83.04987	1.1
83.08609	1.2
85.02914	4.2
85.06530	0.8
86.42710	0.6
91.05476	7.0
93.07051	8.8
95.04974	4.2
95.08588	1.9
97.02900	1.4
97.06538	1.4
97.10191	0.7
100.11256	2.8
103.05473	1.8
105.07034	6.5
107.04974	2.2
107.08601	4.8
109.06522	2.1
109.10155	2.8
111.04440	5.9
115.05441	1.8
117.07011	1.8
119.04942	1.8
119.08582	3.8
121.06489	3.3
121.10136	5.5
122.03610	0.8
123.04430	2.3
123.08053	1.0
125.09689	0.7
127.11205	14.5
128.06236	2.0
129.07021	3.4
131.04944	1.3
131.08569	2.5
133.02821	1.7
133.06491	2.4
135.04457	1.1
135.08072	3.0
135.11574	0.8
137.05984	16.5
141.06978	1.0
143.08510	2.4
144.05707	1.2
145.06485	1.4
145.10120	4.3
147.04366	2.0
147.08060	3.6
147.11673	0.7
149.05997	2.8
149.09610	4.3
151.03908	1.7
151.07536	2.1
153.06938	0.7
154.07770	0.9
155.08517	1.0
157.06535	2.3
157.10114	1.8
158.07275	1.0
159.08092	3.1
159.11649	1.0
160.05205	2.2
161.05988	4.3
161.09637	2.4
162.06752	1.9
163.03915	1.0
163.07516	2.7
163.11180	2.6
167.07175	0.8
167.08545	1.5
167.10709	2.4
169.10220	1.1
171.08041	2.3
172.05177	0.7
173.05995	1.0
173.09593	2.8
174.06671	3.2
175.07570	15.5
176.08299	1.4
177.05450	1.9
178.07773	0.9
179.07010	1.7
179.08501	1.0
181.06577	0.7
182.07236	0.9
183.07950	1.2
185.09656	1.5
185.34045	0.6
186.26462	0.7
187.07556	8.5
187.11238	0.7
187.83217	0.6
189.09113	9.6
191.08774	0.8
191.10637	3.5
193.10138	1.4
196.08937	0.8
197.09604	1.5
198.06720	0.8
199.07538	3.0
199.11142	1.5
200.04729	0.7
200.08363	0.9
201.09207	3.4
202.07774	0.8
202.09732	0.8
203.06941	0.9
203.08598	1.8
203.10674	1.6
211.07552	3.0
211.11282	3.3
213.09138	5.0
213.12616	0.8
214.06157	1.0
214.09889	0.8
215.07034	33.1
215.10608	2.0
217.08530	3.7
219.08026	2.2
220.08847	1.0
221.09668	1.4
223.07552	1.0
225.09084	2.3
225.12900	0.8
227.07056	4.1
227.10686	2.1
229.12248	3.2
231.08066	2.9
231.13808	3.1
235.07526	0.7
237.09184	1.2
237.12682	1.0
238.09862	0.8
239.07022	1.8
239.10684	3.3
240.07759	1.7
241.08591	11.0
241.12262	1.1
242.09343	3.9
243.10170	2.4
243.13847	1.0
245.07993	0.9
245.15251	0.7
247.07678	1.4
248.08304	2.9
249.09131	1.5
251.10820	1.5
252.07925	0.8
253.12206	1.5
255.06442	0.9
255.10211	3.3
257.11636	1.5
259.07370	1.1
259.09811	1.1
263.10699	2.8
265.08627	1.9
267.10165	3.6
267.13751	1.5
269.11792	0.9
269.15332	1.1
270.08908	1.9
271.09671	5.8
271.12473	0.8
276.07816	1.1
277.08609	1.2
279.10208	2.8
281.11737	2.9
283.09875	1.0
283.16919	1.0
285.11237	27.6
291.10114	5.3
295.16870	1.7
296.10214	0.8
297.14978	0.7
298.11990	0.7
299.12839	4.4
299.16037	0.8
309.11121	1.5
311.12772	2.0
313.14630	0.6
313.18109	2.2
323.12708	4.1
323.16428	4.0
323.19876	1.2
341.13977	5.5
341.17490	100.0
342.17810	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76492	1.7
52.84558	1.5
53.03944	3.9
55.01876	6.4
55.05528	9.5
57.03420	2.3
61.58019	1.8
67.05515	11.8
69.03443	17.0
69.07079	8.4
70.75507	4.9
71.05005	10.7
79.05497	33.7
81.07062	62.5
83.04986	3.2
87.04481	6.1
91.05482	27.5
93.07050	100.0
94.04192	3.9
95.04995	9.9
95.08627	9.2
97.02896	2.0
97.06531	7.3
99.04477	8.3
100.11243	2.7
103.05465	11.1
105.07040	42.6
107.04962	5.3
107.08604	52.9
109.06541	16.9
109.10161	4.6
111.08097	7.3
115.03944	6.2
115.05489	4.2
117.07024	7.3
119.04990	3.4
119.08596	16.7
121.06519	34.4
121.10149	76.0
122.03687	5.8
123.08109	4.8
128.06207	2.8
129.07028	7.8
130.07835	2.7
131.04936	12.6
131.08595	6.1
133.02859	8.7
133.06549	2.6
135.08066	24.2
135.11707	16.5
137.05986	92.9
139.07567	2.7
139.11211	2.8
142.92265	2.0
143.08577	2.7
145.06509	4.2
145.10136	33.6
147.04417	2.5
147.08035	6.5
147.11716	14.5
149.09627	20.7
151.03911	1.9
151.07593	5.9
157.06529	4.4
159.08102	2.1
160.05188	2.7
161.05992	7.4
162.06761	2.4
163.07605	10.0
163.11191	90.1
165.05501	2.1
167.10732	16.7
173.05998	3.1
173.09639	11.2
174.06773	3.9
175.07582	33.3
177.09163	4.5
181.12242	18.8
187.07579	14.5
189.09151	5.6
191.07013	6.9
191.08846	3.2
191.10683	79.2
199.07526	5.1
201.07571	4.5
202.07808	2.4
203.08650	5.6
209.11739	16.2
211.07565	2.0
216.12503	2.1
217.08690	10.5
218.07243	2.1
219.08112	5.9
220.08904	1.9
227.12817	12.0
231.08073	5.5
232.08844	2.0
236.08409	2.2
241.10840	3.1
247.07661	4.7
248.08321	5.9
249.09149	2.1
250.06378	2.3
251.10806	6.7
253.08588	1.7
257.38870	1.7
259.07571	4.9
263.10672	4.7
265.08585	6.2
271.09601	3.0
276.07907	3.6
277.08664	3.0
277.14319	4.6
279.10074	8.6
281.08331	2.1
281.13882	6.4
283.11798	5.9
291.10242	15.6
293.07999	2.5
295.15533	8.6
296.10294	3.2
297.11166	2.0
299.14975	13.3
309.11206	9.9
311.12790	7.0
323.12393	12.1
325.73499	2.3
341.13452	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	341.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.7
55.01857	2.5
55.05516	85.6
59.81684	1.0
65.03941	2.7
66.92117	1.0
67.01862	7.0
67.05496	2.6
69.03419	2.3
69.23617	7.0
69.24041	2.5
71.14778	1.0
79.05497	5.6
81.07044	3.3
83.04987	100.0
91.05479	8.9
93.07050	9.5
95.04954	4.1
95.08611	1.2
97.10986	1.0
98.20722	1.9
103.05463	1.1
105.03366	1.8
105.07007	4.8
107.04979	6.3
107.08591	1.4
109.10148	1.7
115.05451	7.2
117.06994	3.8
119.04971	1.6
119.08555	2.4
121.02852	2.6
121.06512	1.3
124.11255	1.0
127.11188	1.0
128.06244	16.1
129.07018	23.9
130.06277	0.9
131.04869	1.6
131.08560	2.9
133.10156	1.3
135.04390	4.0
137.05951	1.4
141.07004	15.6
142.07790	38.5
143.04871	1.1
143.08609	7.5
144.05679	3.2
145.06462	4.4
145.10124	1.5
147.04411	1.1
151.07523	1.1
152.06244	10.7
153.07063	5.7
154.07785	4.7
155.06026	2.2
155.08560	3.2
156.05701	1.2
157.06517	5.3
157.10139	20.0
159.08025	4.4
165.07002	5.4
166.07825	2.6
167.08577	18.5
169.06491	4.6
169.10132	2.4
170.07262	10.6
171.08063	6.2
171.11763	1.0
173.06017	1.9
175.11218	5.2
179.36589	1.1
181.06467	1.9
183.08078	1.9
185.06085	1.4
185.09621	34.9
187.11160	1.1
195.08073	14.1
197.05873	1.8
197.09682	1.4
198.06747	3.4
199.07556	1.7
210.10210	1.2
213.09105	38.6
223.07542	3.4
233.87923	1.1
241.08554	4.3
295.13492	1.3
313.13647	1.5
318.19742	1.3
336.21143	1.0
341.13843	3.1
341.21033	10.8
341.24814	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	341.1387
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
55.01881	2.6
55.05508	2.6
69.07075	2.5
69.55309	7.2
79.05495	3.7
81.07037	2.0
84.11362	1.5
88.54389	1.3
91.05492	7.4
93.07057	4.0
94.04182	4.2
98.21443	2.4
98.77901	1.1
100.11310	1.8
103.05489	8.6
105.07061	7.2
107.04956	3.5
107.08603	3.4
109.06509	4.0
113.38026	1.3
115.05466	6.0
117.07053	3.9
119.04967	3.1
119.08606	5.6
121.06489	2.1
121.10172	1.5
122.03648	7.2
128.06264	3.8
129.07010	5.7
131.04953	12.6
131.08487	1.8
132.05751	3.7
133.06522	2.8
135.08058	4.3
137.05989	100.0
145.06523	2.7
145.10176	1.9
147.04404	3.7
147.08047	2.4
149.06001	1.8
151.07544	2.5
155.04951	2.0
156.05798	1.5
157.06528	2.5
160.05171	2.9
161.05997	8.6
163.07542	7.9
163.11278	2.2
165.07031	1.5
167.07086	1.7
173.05978	3.0
174.06772	3.8
175.07568	31.6
177.05399	1.5
179.07039	1.8
179.80212	1.4
185.09781	1.4
187.07593	14.7
189.07249	1.6
189.09160	4.6
190.07761	3.4
191.07053	5.8
191.08617	7.2
191.10619	3.4
199.07510	8.2
202.07825	4.5
203.08549	6.9
217.08621	7.6
218.07156	1.9
219.08055	10.9
220.08896	2.9
221.06096	1.8
231.07945	7.0
232.08868	1.9
233.09462	1.4
235.07581	1.7
236.08401	2.3
239.06969	1.8
247.07541	4.9
248.08371	5.3
249.09233	2.7
251.10704	8.2
253.08522	1.5
259.07581	4.2
263.06949	2.4
263.10617	6.5
264.07861	1.4
265.08572	2.2
271.09650	4.6
276.07861	2.2
277.08731	3.4
279.10181	7.6
281.08026	1.4
281.11774	2.6
291.10162	15.8
292.11267	2.4
293.08044	1.5
296.10422	1.8
297.11108	1.7
309.07846	1.4
309.11188	5.2
311.12781	8.8
313.10788	1.2
323.12738	9.8
341.10367	1.7
341.13885	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	341.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.9
54.80857	0.8
55.01870	2.0
55.05515	78.0
57.03415	1.4
57.07083	1.6
57.93811	0.9
65.03933	2.5
67.01862	3.9
67.05526	4.6
67.05798	0.8
69.03424	3.5
69.07070	5.1
69.34106	1.9
69.34516	6.6
71.04982	1.6
73.04741	1.3
77.03954	0.9
79.05488	5.5
81.03416	1.0
81.07072	6.1
83.04986	100.0
83.08625	1.8
85.02905	1.3
91.05485	8.6
92.62917	0.9
93.07053	10.0
95.01311	1.5
95.04999	4.7
95.08604	3.4
103.05459	1.1
105.03401	1.5
105.07018	4.4
105.59597	0.9
107.04953	4.8
107.08588	3.6
109.06522	1.9
109.10158	1.6
113.02390	1.4
115.05430	4.5
117.07049	2.6
117.49709	0.9
119.04932	1.3
119.08575	4.5
121.02859	1.5
121.06492	1.5
121.10118	1.3
123.04480	1.0
123.08100	2.4
128.06224	9.7
129.07013	12.4
131.04965	1.5
131.08585	3.1
133.06419	1.2
133.10146	3.4
135.04388	2.2
135.08058	1.5
137.05968	1.5
137.09587	1.5
139.07538	1.4
141.05431	1.1
141.07016	7.2
142.06775	1.7
142.07800	16.9
143.08566	4.2
144.05748	1.4
145.06467	2.3
145.10139	2.1
147.11557	1.1
149.02351	1.0
149.05905	1.1
151.07553	1.2
152.06248	6.8
153.07014	2.9
154.07753	2.8
155.06027	1.3
155.08582	2.4
157.06479	4.3
157.10130	14.2
159.08063	3.9
161.09628	3.0
165.07027	3.8
166.07797	1.7
166.57645	1.1
167.08586	9.1
168.09343	1.0
169.06491	4.0
169.10164	2.3
170.07291	7.3
171.08093	4.7
173.05989	1.9
175.07539	2.0
175.11145	2.6
181.06427	1.1
181.10162	1.4
183.08028	2.5
185.06078	1.3
185.09648	21.2
187.07607	1.7
189.09172	1.6
195.08049	8.0
197.05972	1.5
197.09619	2.3
198.06752	3.4
199.07584	2.2
199.11203	1.5
201.09184	1.2
207.13753	1.1
209.09662	1.1
210.10371	1.0
211.07474	1.5
211.11232	1.1
213.09116	23.3
215.10652	1.2
217.08694	1.5
223.07527	1.2
225.09111	1.3
225.12961	1.9
227.10594	1.2
229.12338	1.2
241.08606	3.3
241.12358	1.4
253.12273	1.7
267.13821	2.0
269.11627	1.4
271.13342	2.7
277.25333	1.1
285.14795	1.2
295.13510	1.9
299.01883	1.2
299.16339	1.7
323.16324	1.2
341.13861	3.5
341.17477	11.1
341.21191	3.5
353.42371	1.0
359.03043	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01878	2.8
55.05517	80.5
55.05793	3.8
59.74361	1.5
65.03931	3.7
67.01862	6.7
68.82922	1.5
69.03411	1.7
69.30107	1.6
70.43597	3.4
70.43954	2.2
70.68956	1.4
79.05490	3.8
82.88834	1.5
83.04988	100.0
91.05483	6.6
93.07042	5.8
95.04939	2.4
105.03417	1.8
107.04948	5.8
115.05470	9.0
117.07011	3.4
121.02911	3.1
128.06242	14.5
129.07019	22.6
131.08543	3.5
135.04411	4.1
141.07004	13.4
142.07799	36.1
143.08601	3.5
144.05696	3.3
145.06493	4.0
149.02347	1.6
152.06219	13.1
153.07030	3.6
154.07805	5.8
155.08560	4.2
157.06494	7.0
157.10143	16.4
159.08066	4.4
163.04114	1.5
165.07054	5.3
166.07819	1.7
167.08572	14.3
169.06487	2.8
169.10127	2.3
170.07275	10.2
171.08072	4.7
173.06013	3.2
175.11229	4.7
183.08073	1.8
184.76100	1.7
185.09633	30.5
195.08038	15.8
197.05821	1.9
198.06790	3.8
198.96991	1.4
199.07626	2.8
213.09116	36.2
217.08588	1.7
223.07536	4.2
226.06409	1.5
241.08591	6.2
341.13983	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1385
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
53.03937	2.4
55.01862	1.6
59.04996	1.3
65.03921	2.0
67.05507	3.3
69.03433	1.5
69.25703	2.9
69.26102	11.6
71.04984	2.6
77.03944	1.3
77.87307	1.2
79.05492	6.4
81.07049	4.9
83.04961	1.9
89.03907	4.3
91.05479	18.1
93.07040	4.3
94.04189	3.8
95.04953	3.0
99.90755	1.3
102.04678	8.9
103.05474	8.5
105.03414	3.1
105.07051	10.5
107.04971	5.1
107.08568	1.8
109.06520	3.8
109.10168	2.4
115.05424	3.5
117.03372	3.5
118.04153	2.2
119.04943	23.5
121.06506	3.7
121.10095	1.2
122.03650	7.7
124.05223	5.5
128.06248	3.1
129.07043	9.0
129.21600	1.3
130.04146	19.7
131.04929	12.9
131.08598	1.5
133.02869	14.8
133.06442	6.3
135.04413	17.5
135.08038	1.8
137.05983	100.0
143.04947	1.9
144.05693	3.3
145.06450	2.6
146.03680	7.9
147.04416	48.3
147.08147	1.5
149.05984	16.3
150.06767	41.5
151.03925	8.9
151.07571	6.9
153.05441	3.2
157.06528	6.8
159.04440	5.9
160.05202	3.2
161.04680	1.3
161.05989	23.3
162.06763	73.2
163.03860	7.5
163.07516	6.0
163.11264	1.5
164.04739	1.6
165.05443	5.3
165.06865	2.7
167.07071	3.4
172.05199	3.0
174.06711	8.3
175.07590	12.8
177.05498	10.4
177.09209	1.4
178.06245	2.3
179.07056	11.6
180.07825	7.7
187.03911	14.3
187.07542	26.0
188.07878	1.5
189.07254	2.1
189.09096	13.7
191.06979	1.8
191.08578	3.3
191.10536	2.6
196.05132	4.1
197.05885	1.8
199.07513	2.4
202.07880	3.7
203.08591	10.5
205.06522	3.9
206.07265	2.5
207.08139	4.2
208.08737	1.7
211.07442	11.9
213.05492	2.1
217.04956	2.5
217.08536	11.8
218.07211	1.6
219.08047	9.0
220.08881	6.9
221.05972	2.1
221.09650	2.8
223.07565	2.0
227.07082	9.1
228.07721	1.6
231.08017	13.5
232.08701	1.9
233.05945	3.2
234.06775	3.5
235.07541	4.8
236.08229	2.2
237.09032	2.3
237.80496	1.4
239.07018	9.0
240.07826	7.0
241.08609	1.8
247.07602	5.7
248.08325	17.7
249.05423	1.8
249.09056	5.3
250.06184	2.2
251.06978	3.0
251.10695	3.1
253.08699	3.2
254.09270	1.9
255.06506	6.7
256.07352	4.8
259.07684	6.3
261.09125	2.0
263.07037	4.1
263.10696	15.7
264.07822	3.8
265.08578	6.0
268.07330	3.0
269.07935	2.0
270.08777	13.1
271.09686	21.0
276.07764	9.2
277.08548	6.7
278.05771	1.7
279.10141	8.6
280.07281	1.4
281.08188	3.2
281.11914	4.7
282.09122	1.4
283.09558	6.9
291.06580	6.8
291.10083	37.4
292.10825	3.0
293.08044	8.6
295.09760	2.7
296.10458	5.6
297.11212	3.2
305.08215	1.7
308.10428	4.8
309.11182	4.5
311.09125	8.8
311.12820	6.4
313.14160	1.9
323.09106	9.0
323.12784	22.2
326.10919	1.5
341.10312	3.5
341.13892	27.0
341.17914	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	341.1385
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
63.03590	1.3
69.03436	1.6
70.84852	3.4
79.05498	3.4
81.03419	2.0
81.07057	1.7
91.05485	12.3
93.07042	2.6
94.04157	2.0
103.05471	5.6
105.07033	15.9
107.04937	2.8
109.06537	2.2
115.05461	8.9
117.07042	3.1
118.04124	1.4
119.04948	7.0
119.08592	5.4
121.06499	3.1
122.03649	8.1
128.06223	2.9
129.07025	7.3
130.71207	1.3
131.04919	6.3
132.05734	2.3
133.06490	11.9
137.05981	100.0
143.04874	1.5
144.05672	1.2
145.06506	2.7
146.03661	1.9
147.04393	9.9
147.08032	5.2
149.05991	3.3
151.07527	4.3
157.06516	2.8
159.08040	4.2
160.05217	2.7
161.05986	30.4
161.09593	1.7
162.06752	2.7
163.07596	3.8
172.05191	6.0
175.06047	2.6
175.07556	48.5
177.05510	1.6
177.09091	3.2
179.06976	3.6
187.07564	25.1
189.07074	1.8
189.09116	5.0
190.07787	1.7
191.08531	6.3
199.07559	2.1
202.07698	3.3
203.08598	5.1
205.06462	2.4
211.07458	1.6
217.08548	8.7
219.08087	11.5
220.08766	3.2
223.07822	1.7
231.08054	8.2
235.07642	2.0
237.09099	2.4
247.07603	5.4
248.08330	5.6
249.08987	1.4
251.10704	10.3
259.07574	3.6
261.08954	1.8
263.10672	5.7
265.08630	2.5
271.09830	1.5
276.07840	3.5
277.08810	2.4
279.10175	11.8
280.11032	1.6
281.11649	1.8
291.10220	10.4
296.10422	2.0
309.11224	16.9
311.12857	13.2
323.12711	12.5
341.13739	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1385
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.03903	1.2
55.55870	1.0
61.00885	0.9
65.03942	1.5
70.35864	4.0
78.28483	1.0
79.05508	1.1
81.07038	1.4
90.13320	1.0
91.05476	3.8
93.03419	1.1
94.04185	3.4
95.04980	0.9
107.04947	2.1
109.06491	2.9
115.05463	1.5
115.85263	1.0
119.04973	1.3
122.03654	9.2
128.06233	4.6
129.07002	11.4
129.76401	1.0
131.04924	4.5
133.02895	2.3
133.22882	1.1
137.05988	100.0
143.08580	1.8
144.05673	5.9
145.06506	2.2
146.07251	1.6
148.04135	1.0
149.05939	2.5
151.03923	1.7
151.07532	4.0
153.05481	1.5
156.05688	1.6
157.06514	6.6
158.07286	2.7
160.05180	2.7
161.05933	1.9
161.09662	1.5
163.07584	1.3
165.05499	2.3
165.06889	1.2
171.08099	2.5
172.05174	7.9
174.06784	15.1
175.07549	10.7
177.05426	1.4
187.07561	44.1
188.08197	1.7
189.07286	1.6
189.09138	18.3
190.07755	2.3
191.08582	4.8
196.05165	1.7
197.05942	1.2
199.07527	5.4
202.07822	5.3
203.08588	11.5
205.06450	2.8
206.07259	1.3
208.08821	2.3
211.07558	6.7
217.08604	27.4
218.07156	1.8
219.08060	14.1
220.08748	4.2
221.05934	2.3
225.09196	1.6
227.07001	5.6
231.08035	14.2
232.08786	3.3
233.05954	2.9
233.09586	3.5
235.07549	2.7
236.08333	4.6
237.09138	3.4
239.07039	4.6
240.07799	3.5
247.07538	7.8
248.08340	16.6
249.09186	3.1
250.06128	2.0
251.10735	7.4
253.08510	5.2
255.06563	4.8
256.07214	2.1
259.07593	5.3
260.08319	2.2
261.09048	5.2
262.10010	1.2
263.07535	1.2
263.10748	17.1
264.07849	4.2
265.08551	5.5
268.07336	1.7
270.08920	7.1
271.09689	12.2
275.06949	1.3
276.07864	7.3
277.08469	6.4
278.09503	1.6
279.07172	1.4
279.10193	16.2
280.10898	3.8
281.08081	3.9
281.11636	2.1
283.09677	3.1
291.10172	37.5
291.13403	2.0
292.10873	4.3
293.08090	6.4
296.10419	11.2
297.11133	2.8
305.11734	1.6
307.09528	1.1
308.10458	3.8
311.12759	16.7
323.12790	31.9
341.13855	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	341.0869
Annotation	AESCULIN
Peak:m/z	Relative Intensity
61.02919	0.4
62.37951	0.2
63.64906	0.2
69.03426	1.0
70.94537	0.6
81.03416	0.4
85.02918	1.9
89.03904	0.5
97.02878	0.6
105.03400	0.6
109.02863	0.3
117.03388	0.4
120.07635	0.2
123.04436	10.1
127.03911	0.3
133.02867	8.5
135.04399	1.5
137.05966	0.3
145.04997	0.3
151.03915	3.1
154.04626	0.2
179.03406	100.0
180.03766	0.9
199.70102	0.2
341.08670	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
53.23172	0.9
54.96532	0.9
55.01856	1.9
55.05513	1.5
60.72216	1.0
64.42022	0.8
65.03965	1.3
67.05498	2.7
69.03430	1.5
69.07072	1.8
70.06588	1.3
71.04972	1.6
71.29746	1.6
77.03924	1.6
79.05495	5.3
81.07048	3.4
82.39996	1.0
83.04967	2.2
85.02891	2.9
85.72565	1.0
89.03909	3.7
91.05483	19.2
93.07037	4.1
94.04179	2.0
95.04972	2.2
95.08611	2.2
97.06525	0.9
102.04685	9.8
103.05473	7.0
103.56444	0.9
105.03381	2.3
105.04485	1.1
105.07038	12.1
107.04962	6.0
107.08602	2.3
109.02847	1.1
109.06521	2.0
109.10153	2.8
111.04403	1.2
115.05463	3.2
117.03356	4.0
117.07024	1.3
117.14023	0.8
118.04190	1.9
119.04954	24.8
119.08585	1.3
121.06525	4.6
121.10139	2.5
122.03667	6.1
123.04413	1.1
123.11736	1.2
124.05206	6.8
125.06021	1.4
125.09540	0.9
128.06197	3.1
129.07016	7.0
129.11305	0.9
130.04152	26.5
131.04936	14.0
131.08626	1.1
133.02864	14.6
133.06477	8.1
135.04428	20.8
135.08043	1.0
136.28468	0.9
137.05986	66.3
145.02858	1.8
145.10101	1.2
146.03654	8.3
147.04420	59.1
148.05177	1.1
149.06004	20.3
149.09573	1.2
150.06766	52.9
151.03909	12.9
151.05017	1.6
151.07553	6.5
153.05437	1.2
157.06528	7.2
159.04404	7.4
160.05109	1.0
161.02278	2.3
161.05994	28.0
162.06770	100.0
163.03938	9.4
163.07559	6.0
163.11156	1.9
165.05489	2.8
167.07059	1.6
173.02444	1.4
173.09673	1.3
174.06764	3.5
175.07570	5.5
177.05507	11.8
177.06914	2.1
178.06221	3.1
178.07588	2.3
179.07025	5.8
179.08482	2.0
180.07867	7.0
181.06462	1.5
187.03928	16.9
187.07550	11.3
189.07094	2.2
189.09099	13.1
191.07028	1.3
191.08614	2.4
191.10579	2.0
195.07962	1.5
196.04999	1.1
197.09666	1.3
199.03918	2.7
199.07542	1.9
201.09163	2.4
202.07791	1.9
203.08577	7.8
205.06506	2.5
206.07317	1.9
207.08055	3.6
211.07579	2.5
213.08994	0.9
217.04898	3.4
217.06746	1.8
217.08553	9.6
218.07248	1.1
219.08038	4.2
220.08835	2.0
221.06111	1.4
221.09721	2.6
222.06671	1.6
223.07549	1.5
227.07001	2.1
231.08084	7.2
232.08879	1.5
233.05963	2.5
234.06744	2.6
235.07516	4.1
239.07095	1.6
240.07826	1.5
241.08574	1.2
245.05870	2.0
247.07500	3.0
248.08412	7.2
249.05490	1.2
249.09109	4.3
250.06372	2.1
251.07050	3.0
251.10793	1.4
253.08691	1.8
253.12181	1.3
255.06345	1.7
259.07532	3.2
260.08337	1.1
261.09143	1.7
262.09918	1.1
263.07074	4.9
263.10599	6.6
265.08640	5.0
267.10138	1.5
270.08783	2.0
271.09698	5.9
276.07791	2.6
277.08600	3.6
279.06512	1.7
279.10114	5.5
281.08521	1.6
281.11716	3.4
283.09686	2.0
283.16769	1.3
285.11203	3.3
291.06503	12.2
291.10135	16.9
292.10760	1.0
293.08072	5.5
295.09564	1.9
296.10358	2.0
297.11322	2.2
305.08075	1.5
308.10400	1.2
309.11243	5.1
311.09122	10.3
311.12744	4.4
313.66736	1.0
323.09076	8.3
323.12805	7.7
323.16241	1.8
341.10172	4.5
341.13797	22.5
341.17578	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	341.1385
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01853	1.8
63.51876	1.5
69.21564	15.1
70.06587	1.5
71.04986	1.8
79.05467	2.5
91.05475	4.4
94.04182	5.0
98.20783	2.5
107.04967	2.2
109.06516	4.0
117.14613	1.4
119.04964	2.2
122.03648	10.4
128.06223	3.1
129.07037	8.9
129.07808	1.5
131.04918	2.4
137.05981	100.0
144.05711	4.9
145.06487	3.7
149.06000	3.4
151.03899	1.8
151.07542	6.7
153.05490	1.8
157.06491	7.8
158.07262	1.6
161.05984	4.0
163.07521	2.8
165.05539	2.4
165.39157	1.5
172.05194	5.6
173.06015	1.9
174.06779	12.7
175.07549	11.1
177.05473	2.8
179.06982	1.9
181.66295	1.6
187.07544	47.3
188.08226	2.2
189.09097	17.3
190.07872	2.5
191.08572	4.9
199.07535	7.2
202.07794	3.4
203.08574	17.3
205.06496	2.9
208.08856	2.8
211.07512	5.1
212.66042	1.6
217.08597	28.8
219.08035	13.2
220.08823	5.6
221.05937	2.2
227.07088	6.6
231.07986	15.1
232.08794	4.8
233.06007	2.3
233.09688	1.9
235.07420	2.4
236.08353	3.7
237.09125	4.6
239.07033	2.7
240.07817	4.4
247.07602	10.3
248.08357	19.9
249.09137	2.9
251.10692	7.1
253.08643	4.8
255.06461	3.9
256.07016	1.7
259.07602	7.6
260.08246	3.5
261.09152	4.1
263.07529	2.2
263.10675	20.5
264.07910	3.5
264.11615	1.7
265.08603	5.9
270.08966	10.2
271.09671	11.7
276.07797	10.6
277.08612	4.4
279.10138	17.5
280.10724	2.3
281.07996	2.7
283.09641	2.7
291.10156	39.5
292.10855	4.4
293.08157	7.7
293.11276	1.9
296.10498	10.7
297.11285	3.3
308.10428	4.8
310.11679	1.8
311.12814	18.7
323.08853	2.2
323.12744	35.9
323.16275	2.6
341.13815	23.1
342.13986	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2848
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
50.21930	0.9
52.00439	0.9
53.43193	0.8
55.05515	18.5
56.05037	1.6
57.07080	5.9
60.04531	32.1
67.05511	13.5
69.07074	25.2
71.04987	1.8
71.08627	2.1
71.51653	0.9
71.52015	0.8
79.05497	3.0
81.07066	17.9
83.04978	1.0
83.08627	16.5
91.05476	4.6
93.07047	5.6
93.07539	1.1
95.08614	15.6
97.06550	2.1
97.10178	9.5
105.07053	4.0
107.08614	3.1
109.10147	8.0
110.47068	0.8
111.08096	1.5
111.11723	2.7
119.08580	4.5
121.10132	2.4
123.08131	1.7
123.11720	3.0
133.10146	4.2
134.77512	0.8
135.11708	2.2
137.09631	2.4
137.13246	0.9
140.12012	0.9
142.15900	12.0
147.11711	3.8
148.34061	0.9
149.13289	1.7
151.11256	1.3
154.12271	6.3
161.13292	2.0
163.14774	1.5
169.91360	0.8
172.13377	2.6
175.14847	1.2
182.19041	1.8
196.13509	1.0
197.85330	0.8
245.22672	2.6
262.25433	1.0
263.23755	5.5
279.02643	1.0
280.26398	14.7
298.27451	14.1
302.30930	1.1
322.27493	3.4
340.28513	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82257	2.2
54.16667	2.4
54.37069	2.1
55.05302	2.2
55.05523	22.7
56.05838	2.4
57.03442	5.4
57.07088	11.2
60.04535	21.7
67.05525	17.1
69.07072	36.6
70.04142	2.1
71.08652	3.9
79.05493	7.5
81.07057	36.8
83.08611	16.0
91.05492	13.3
93.07076	13.9
95.08617	35.4
96.08987	2.8
97.06530	3.3
97.10172	14.9
105.07037	34.4
107.08598	13.9
109.10168	19.9
114.12839	3.1
119.08604	30.5
121.10173	12.2
123.11728	24.2
129.09244	2.3
130.15971	3.0
133.10133	18.3
135.11729	4.5
142.15935	4.4
147.11702	59.1
151.11160	4.0
154.12285	4.1
161.13301	11.1
174.14151	2.3
175.14938	3.8
203.17982	100.0
221.19049	3.2
237.47900	2.5
252.62767	2.4
263.23499	3.8
280.26398	10.3
298.27448	9.4
322.27478	3.5
340.28659	77.1
340.35281	4.8
340.39346	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	339.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.8
55.01876	17.9
55.05526	11.2
61.89717	2.4
65.03918	2.9
67.05505	23.1
68.81642	2.0
69.03413	7.9
69.07078	15.3
71.04980	8.2
71.49640	2.7
71.50055	2.3
79.05507	24.6
80.04984	2.2
81.07063	46.5
82.04218	2.0
83.04985	17.5
83.08612	4.0
85.02917	3.6
85.06544	5.1
87.04462	7.5
90.10555	1.8
91.05484	27.4
93.07051	55.5
94.20924	2.1
95.04968	21.4
95.08607	17.8
97.02909	2.8
97.06538	32.3
97.10161	2.1
99.04444	6.1
103.05459	3.5
105.07034	54.1
107.04957	4.9
107.08599	33.5
109.06511	22.0
109.10143	7.7
111.08121	13.2
113.05976	2.9
115.03921	14.7
115.05466	2.6
117.07013	6.7
119.04971	2.4
119.08596	33.9
121.06490	23.1
121.10139	7.5
123.04440	3.5
123.08088	10.6
123.11701	8.8
125.06001	20.6
127.07566	10.4
128.06235	3.8
129.05472	8.4
129.06999	3.8
131.08557	6.8
133.06461	4.6
133.10139	16.0
135.08061	18.6
135.11694	3.6
137.05966	11.1
137.09637	5.2
139.07541	42.9
141.05473	100.0
141.56454	2.1
142.07791	4.7
143.07086	11.9
143.08525	8.1
145.06366	3.0
145.10106	11.6
146.03642	5.8
146.06036	2.4
147.08081	4.9
147.11694	56.2
149.06000	2.6
149.09671	3.0
149.13249	5.6
151.07541	7.3
151.11122	5.4
153.09074	4.4
156.09392	4.4
157.08850	2.5
157.10146	13.1
159.08051	4.4
159.11633	2.9
161.05983	3.8
161.09663	12.5
161.13281	8.9
163.03893	4.2
163.11197	7.0
165.05528	2.9
165.06900	3.5
165.12750	33.6
166.07779	2.8
169.08617	8.9
169.10071	3.4
171.11707	9.0
173.09630	4.9
175.11198	33.8
177.05496	5.5
178.06250	9.0
179.10771	3.3
181.08588	6.2
181.10052	2.2
185.09590	3.0
189.09030	3.2
189.12735	27.2
191.08643	2.5
191.10637	4.8
192.06502	6.2
193.12245	53.4
199.11212	11.8
207.08104	2.4
207.10086	3.0
207.13857	7.6
209.11697	4.9
210.14870	7.1
211.13293	14.5
217.12262	38.5
219.08093	6.4
235.07663	4.6
235.13298	27.2
247.07524	5.7
251.10638	2.8
253.14424	35.0
261.09061	2.7
263.07129	3.1
264.07758	3.0
275.07108	2.7
279.10349	4.4
303.15945	3.4
307.09766	13.3
311.12936	4.1
321.17065	8.2
339.08850	2.7
339.12323	21.0
339.18127	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	339.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
55.01862	3.2
55.05506	2.7
59.04990	2.0
65.03931	1.5
67.05510	5.0
69.03418	3.2
69.07063	4.0
71.05000	2.4
71.51261	1.1
77.03905	0.9
79.05500	28.1
81.03452	1.0
81.07059	12.0
82.51283	0.8
83.04959	1.6
85.02880	1.0
85.06551	3.0
87.04462	4.3
91.05490	24.3
93.07050	100.0
95.04978	4.9
95.08620	8.8
97.02911	1.9
97.05921	1.9
97.06540	32.9
99.08075	5.7
105.04486	2.4
105.07043	20.6
105.57815	1.2
107.04958	1.2
107.08603	83.3
108.08927	1.5
109.02782	1.2
109.06515	13.4
109.10151	3.0
111.08073	5.4
115.03916	2.5
117.07024	4.0
119.06089	1.1
119.08584	12.4
120.13474	0.9
121.06503	7.5
121.10167	5.2
123.08053	3.1
123.11685	2.1
129.05508	1.8
131.08568	2.0
133.06483	1.6
133.10115	2.5
135.08067	39.3
135.53065	0.9
137.05971	1.5
137.09622	1.2
137.13274	2.0
142.44246	1.2
145.10139	2.6
147.08046	3.2
147.11696	23.0
153.09105	4.8
156.09348	1.8
157.04979	9.7
161.09660	1.0
161.13277	9.3
165.12749	15.9
171.11617	3.3
175.05984	1.5
176.96873	0.9
179.14305	2.4
187.06044	5.2
189.12778	11.4
207.13805	13.9
214.18001	1.1
239.12746	1.6
267.12274	9.4
278.98621	0.9
293.17444	1.4
307.09662	1.3
332.18591	0.9
339.12112	1.9
339.18433	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	339.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
55.01862	3.9
55.05499	3.9
59.05008	1.6
65.03934	1.5
66.65998	0.9
67.05502	5.2
69.03420	3.1
69.07056	4.3
70.68592	2.9
71.04990	1.9
79.05496	28.8
81.07063	11.0
83.04970	3.5
83.44658	1.0
85.06538	1.9
87.04462	4.0
91.05484	21.9
93.07047	100.0
95.04982	5.9
95.08604	7.4
97.02902	1.2
97.05928	1.6
97.06535	31.0
99.04453	2.2
99.08074	4.2
105.04482	1.8
105.07034	24.1
107.04964	1.3
107.08598	91.1
108.09020	0.9
109.06522	12.2
109.10181	2.0
111.08093	6.4
111.08743	1.4
115.03928	3.6
115.05431	1.2
117.07006	3.6
119.08591	13.9
121.06521	5.7
121.10143	4.0
123.08055	3.8
123.11679	3.2
129.05493	1.9
131.08560	3.3
133.06497	1.3
133.10089	3.3
135.08063	35.6
137.05940	1.2
137.13297	1.3
141.05447	2.1
143.08661	1.3
145.10126	2.8
147.08022	3.4
147.11694	20.5
153.09097	4.7
156.09363	2.3
157.04951	10.7
161.13263	10.5
165.12769	15.5
168.74341	1.1
171.11676	3.3
179.14291	1.8
187.06015	6.1
189.12779	10.3
207.13809	12.7
239.12775	1.7
247.07813	1.1
265.84564	1.1
267.12247	9.6
297.16916	1.0
339.08157	1.2
339.12024	1.5
339.19061	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	339.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07021	10.8
69.89503	56.5
94.93015	16.9
98.97559	17.5
102.09193	100.0
157.07057	13.0
219.01787	18.8
339.04837	87.4
339.15555	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	339.1078
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03448	0.9
65.03960	1.2
69.03438	1.4
69.07088	0.9
70.06598	0.9
71.49634	0.8
79.05479	1.1
81.03436	1.7
83.04968	1.4
85.02919	1.4
86.09697	0.9
91.05489	11.6
93.07041	1.1
97.02882	0.9
97.45364	0.8
105.01870	1.0
105.07019	1.1
106.79739	0.7
107.04958	1.0
116.39737	0.8
119.04955	28.0
120.08142	1.5
124.07588	0.9
131.04993	0.8
133.10176	0.9
137.05977	2.5
146.03644	1.7
147.04428	100.0
159.08182	0.8
161.06039	1.3
162.05592	1.3
166.08694	1.3
173.04616	0.8
175.07542	1.9
177.05495	2.0
177.09151	1.0
178.06284	1.7
207.07724	0.8
208.06142	0.9
239.11540	0.9
279.10074	0.8
285.12097	1.5
293.04269	0.8
307.09644	1.7
321.03983	1.5
321.14557	1.3
339.12305	2.2
339.15933	1.1
356.48871	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
61.52040	2.5
67.05482	10.1
69.03436	14.5
69.07064	4.9
70.06582	2.3
70.83687	7.4
72.75053	2.6
79.05474	8.6
81.07050	4.0
83.04960	16.6
83.56224	2.7
84.08139	3.3
85.02903	5.2
85.06537	3.3
86.06084	13.9
87.04438	2.7
91.05457	5.3
94.06569	34.6
95.04952	3.7
95.07352	3.8
97.06516	3.7
98.97563	5.1
108.04455	3.2
108.08123	29.0
110.97598	2.6
111.04436	10.0
113.06024	5.8
119.04917	5.9
119.07317	3.0
120.08080	28.4
122.06042	15.5
123.06808	18.4
124.07571	3.0
125.06004	2.8
128.07094	6.4
128.98697	3.3
129.05466	3.4
131.07288	3.7
132.08102	4.2
134.06012	3.4
134.09642	8.0
136.07590	29.8
137.08397	2.7
138.05449	5.6
138.09146	4.3
139.03883	11.8
141.05437	5.6
143.08655	3.0
143.86656	2.4
144.08054	9.8
145.08859	4.2
146.08438	3.4
146.09555	3.2
147.04451	14.4
147.06784	9.0
147.09174	3.5
148.07602	31.2
152.07137	2.9
156.06538	3.3
158.09668	8.0
160.07562	2.7
162.09106	23.1
164.07072	11.8
166.03209	4.1
166.08626	10.9
169.08838	4.2
171.10391	3.6
172.07550	4.7
172.11301	3.7
174.07886	7.9
174.09187	5.7
175.08623	6.2
176.07077	6.0
177.10272	2.5
184.11174	10.9
186.09114	12.2
186.12785	3.6
187.09932	9.8
188.10750	3.8
190.08672	25.2
192.06535	10.1
194.08076	5.6
196.09970	3.0
197.08444	3.5
198.09055	2.6
200.10707	6.4
202.08618	9.6
202.12288	17.9
206.08418	9.2
208.09621	4.1
211.12338	6.0
212.10802	14.8
213.10196	4.5
214.08591	11.4
215.09390	12.7
217.09746	3.3
218.08105	5.4
220.09770	3.7
220.13309	7.2
221.10730	4.6
223.08644	2.7
227.11775	3.3
230.11752	42.7
232.09735	7.4
233.10535	2.7
236.09195	15.7
239.11752	12.8
240.10202	12.6
243.11412	3.2
248.12846	24.4
257.12830	10.8
258.11301	64.9
261.12302	3.4
267.11304	22.7
272.11435	16.3
273.12277	7.4
275.11194	2.5
275.13959	14.3
276.12332	95.2
285.12347	47.8
286.10693	16.6
293.14920	3.5
294.13315	14.9
303.13385	58.6
304.11768	70.0
321.14471	21.4
322.09216	5.0
322.12811	46.0
339.10532	23.2
339.15457	100.0
348.18607	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	339.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.8
55.01876	17.9
55.05526	11.2
61.89717	2.4
65.03918	2.9
67.05505	23.1
68.81642	2.0
69.03413	7.9
69.07078	15.3
71.04980	8.2
71.49640	2.7
71.50055	2.3
79.05507	24.6
80.04984	2.2
81.07063	46.5
82.04218	2.0
83.04985	17.5
83.08612	4.0
85.02917	3.6
85.06544	5.1
87.04462	7.5
90.10555	1.8
91.05484	27.4
93.07051	55.5
94.20924	2.1
95.04968	21.4
95.08607	17.8
97.02909	2.8
97.06538	32.3
97.10161	2.1
99.04444	6.1
103.05459	3.5
105.07034	54.1
107.04957	4.9
107.08599	33.5
109.06511	22.0
109.10143	7.7
111.08121	13.2
113.05976	2.9
115.03921	14.7
115.05466	2.6
117.07013	6.7
119.04971	2.4
119.08596	33.9
121.06490	23.1
121.10139	7.5
123.04440	3.5
123.08088	10.6
123.11701	8.8
125.06001	20.6
127.07566	10.4
128.06235	3.8
129.05472	8.4
129.06999	3.8
131.08557	6.8
133.06461	4.6
133.10139	16.0
135.08061	18.6
135.11694	3.6
137.05966	11.1
137.09637	5.2
139.07541	42.9
141.05473	100.0
141.56454	2.1
142.07791	4.7
143.07086	11.9
143.08525	8.1
145.06366	3.0
145.10106	11.6
146.03642	5.8
146.06036	2.4
147.08081	4.9
147.11694	56.2
149.06000	2.6
149.09671	3.0
149.13249	5.6
151.07541	7.3
151.11122	5.4
153.09074	4.4
156.09392	4.4
157.08850	2.5
157.10146	13.1
159.08051	4.4
159.11633	2.9
161.05983	3.8
161.09663	12.5
161.13281	8.9
163.03893	4.2
163.11197	7.0
165.05528	2.9
165.06900	3.5
165.12750	33.6
166.07779	2.8
169.08617	8.9
169.10071	3.4
171.11707	9.0
173.09630	4.9
175.11198	33.8
177.05496	5.5
178.06250	9.0
179.10771	3.3
181.08588	6.2
181.10052	2.2
185.09590	3.0
189.09030	3.2
189.12735	27.2
191.08643	2.5
191.10637	4.8
192.06502	6.2
193.12245	53.4
199.11212	11.8
207.08104	2.4
207.10086	3.0
207.13857	7.6
209.11697	4.9
210.14870	7.1
211.13293	14.5
217.12262	38.5
219.08093	6.4
235.07663	4.6
235.13298	27.2
247.07524	5.7
251.10638	2.8
253.14424	35.0
261.09061	2.7
263.07129	3.1
264.07758	3.0
275.07108	2.7
279.10349	4.4
303.15945	3.4
307.09766	13.3
311.12936	4.1
321.17065	8.2
339.08850	2.7
339.12323	21.0
339.18127	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	337.2738
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03939	3.7
55.05517	45.0
55.57367	1.1
57.03206	2.0
57.03445	23.8
57.07082	6.5
65.03928	2.6
67.05511	80.7
69.07075	48.9
70.75846	2.5
70.76203	1.6
71.04977	2.7
71.08642	2.7
72.29782	1.0
77.18455	1.3
79.05499	26.6
81.07063	89.7
82.07381	1.5
83.04964	2.5
83.08163	1.3
83.08622	21.6
85.06558	1.8
91.05489	16.3
93.07050	22.0
95.04992	2.0
95.08616	58.4
96.08969	1.7
97.06550	5.8
97.10181	11.8
99.08119	2.1
105.04481	1.1
105.07037	11.6
107.08590	12.7
109.10165	28.5
111.08078	2.4
111.11736	2.2
118.72102	1.2
119.08599	10.4
121.10146	9.0
123.11725	10.2
125.09625	1.4
133.10144	9.3
135.11697	4.8
137.13258	4.6
139.70511	1.2
147.11723	6.6
149.13258	3.2
151.14766	1.8
153.12845	1.6
161.13251	3.6
163.14833	1.6
175.14914	3.8
177.16367	1.3
179.14212	1.4
245.22729	3.2
263.23706	3.9
309.99368	1.3
337.27380	100.0
338.27682	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	336.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18214	0.6
55.01873	1.0
57.03435	0.9
59.05009	10.0
60.04519	1.3
67.05504	1.0
69.03438	4.0
69.07073	80.9
70.06587	2.5
71.08620	1.0
71.49020	1.0
71.49419	1.0
72.08132	1.2
73.06178	1.3
73.06561	17.8
79.05481	0.9
81.03409	3.2
82.06567	1.1
84.04461	0.7
84.08141	1.5
85.02911	13.3
86.06070	0.8
86.09698	2.0
87.00831	2.5
87.08069	1.7
88.07616	4.6
97.02893	3.9
97.06551	3.4
105.01865	1.4
108.04506	1.2
109.02882	2.8
114.09157	2.2
120.08109	0.9
127.03942	4.2
129.09129	39.4
136.07596	0.8
138.09190	0.7
142.08623	7.7
144.06602	1.0
145.04968	1.3
157.08618	100.0
158.08926	1.0
159.02937	1.2
162.05530	2.6
163.10620	0.7
168.10358	0.7
169.10797	0.7
174.11270	8.1
184.09692	4.7
189.03879	0.7
202.10655	1.1
212.98724	0.7
216.12372	3.3
226.10606	0.8
228.12001	0.8
238.10725	0.8
241.09096	0.9
246.09738	0.7
254.10013	1.7
256.11734	1.3
272.11124	3.4
286.12997	1.2
288.10706	1.7
296.13745	0.8
300.10596	4.0
318.11697	6.9
336.12897	2.7
337.07068	1.0
342.69351	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	32.8
57.03429	4.9
57.07076	11.2
66.54602	4.3
67.05503	45.7
69.07072	55.9
71.04986	34.8
79.05504	28.8
79.05892	6.4
81.07063	90.6
83.08605	16.6
85.06521	6.4
91.05488	52.5
93.07053	58.2
95.04979	32.4
95.07996	5.8
95.08613	98.6
96.63775	4.3
97.06541	9.9
97.10177	6.5
98.21564	8.3
99.80357	4.1
103.05490	5.5
105.06387	9.6
105.07039	90.4
107.08582	52.5
108.85414	4.4
109.06517	16.1
109.10155	42.5
111.08044	7.0
115.05450	5.2
117.07026	22.4
119.08591	100.0
121.10139	75.7
123.08070	10.0
123.11721	68.4
128.06226	13.1
129.07004	16.5
131.08565	47.9
133.10167	42.4
135.08070	29.2
135.11670	13.9
141.06979	10.3
142.07816	22.7
143.08543	44.4
144.09375	9.6
145.10146	75.6
147.11688	26.3
149.13287	10.0
154.56035	5.1
155.08553	21.7
156.09360	15.3
157.10143	66.1
159.11725	43.4
161.09607	24.0
161.13216	6.5
165.06978	5.8
167.08585	10.1
168.09424	9.2
169.10175	35.5
171.11656	28.4
172.12546	6.5
173.09648	10.8
173.13226	22.4
175.14870	25.2
177.16397	8.0
179.08539	6.3
180.09401	7.7
181.10104	14.0
182.10957	14.8
183.11664	25.4
184.12425	5.2
185.13304	18.1
187.14815	13.7
189.12813	5.5
189.16367	9.5
193.10129	9.0
194.10823	5.9
195.11743	22.1
196.12300	5.8
197.13293	47.8
199.14854	14.6
201.12692	13.7
201.16386	11.9
208.12526	5.2
209.13263	21.4
210.14055	6.7
211.14856	20.4
213.12819	6.9
215.14334	19.2
221.13066	5.4
223.14777	29.3
225.16452	10.5
237.16364	7.3
239.18011	9.2
253.19601	15.1
254.20326	4.7
255.17560	6.6
267.17386	5.9
267.21118	9.1
279.21085	17.7
281.18991	6.5
294.23398	6.0
319.24176	8.8
337.24988	87.4
346.66373	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	337.2737
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03949	2.7
55.01880	1.6
55.05516	41.8
57.03443	26.4
57.07074	5.1
59.05009	0.8
62.05433	0.6
65.03944	3.5
66.29711	0.5
67.05508	89.0
68.05838	2.2
69.07072	56.1
69.18850	5.4
70.07397	0.9
71.04993	2.5
71.08624	2.7
76.17751	0.5
79.05497	24.2
81.07060	89.3
82.07398	1.7
83.04986	2.3
83.08624	23.0
85.06540	3.2
91.05485	14.6
93.07050	21.9
94.07394	0.5
95.04992	1.5
95.08611	63.4
96.08942	0.7
97.06544	6.3
97.10172	12.9
98.20815	1.1
99.08099	1.9
105.07049	11.2
107.08598	11.3
109.06541	1.5
109.10162	22.8
111.08121	2.9
111.11716	2.5
113.09637	0.6
117.07019	0.6
119.08590	10.2
121.10156	10.1
123.08076	0.9
123.11710	10.9
125.09616	2.4
127.11198	0.5
131.08589	1.0
133.06381	0.5
133.10139	8.7
135.11685	5.4
137.09673	1.5
137.13272	4.0
139.11194	1.3
141.12730	0.6
141.92134	0.5
145.10136	1.0
147.11664	5.2
149.13281	3.7
151.11197	1.0
151.14818	1.3
153.12758	1.0
161.13271	3.8
163.14861	3.1
165.12804	0.8
165.16438	0.6
167.14354	0.6
175.14883	2.9
177.16420	1.2
179.17873	0.7
189.16423	1.2
194.39258	0.5
207.17436	0.6
210.26363	0.6
245.22623	1.6
263.23712	3.8
337.27380	100.0
338.27664	3.1
345.84500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.6
57.03439	0.8
59.05005	9.7
60.04525	1.1
60.41129	0.8
67.05442	0.7
69.03430	3.8
69.07073	84.1
70.06588	1.8
71.08627	2.5
71.50032	1.4
72.08183	0.9
73.06562	19.8
73.25752	0.8
81.03405	2.5
83.04970	0.9
84.08128	1.4
85.02915	13.4
86.09695	1.0
86.77926	0.8
87.00828	1.9
88.07619	2.8
91.05470	1.6
97.02908	5.3
97.06539	4.5
105.01868	2.2
105.07087	0.9
109.02887	2.2
114.09174	4.2
127.03957	4.7
129.09128	39.1
136.07648	1.1
137.06029	1.3
142.08653	21.6
145.05003	0.8
157.08615	100.0
162.05478	1.2
167.10683	1.1
174.11267	10.4
184.09683	10.0
216.12344	3.8
244.11630	1.0
246.09763	1.0
250.10802	0.8
272.11151	2.3
275.48837	0.7
300.10590	1.1
318.11758	0.9
318.20752	2.0
333.37030	0.7
336.13107	1.1
336.21808	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03932	5.1
55.05266	1.7
55.05513	23.1
57.03438	23.5
57.07063	3.0
59.14820	1.3
59.59984	1.2
62.67174	1.2
63.45538	1.2
65.03933	3.7
66.19579	1.1
67.05505	92.5
69.07066	20.4
69.25943	13.0
71.04966	1.4
77.03902	1.4
79.05495	46.6
81.07058	83.7
83.04974	1.9
83.08625	6.5
85.06547	1.9
91.05486	23.8
93.07043	50.8
95.04957	4.0
95.08607	62.6
97.06528	1.9
97.10149	2.2
98.20743	2.1
105.04518	1.8
105.07029	16.6
107.08599	25.3
109.06532	1.5
109.10156	24.4
111.08038	2.5
117.06980	5.0
119.08585	14.0
121.10147	19.4
123.08118	1.3
123.11720	8.1
129.05478	1.8
131.08572	10.3
133.10138	10.4
135.11694	14.7
137.09581	1.4
137.13252	1.8
145.10141	7.4
147.11703	7.3
149.13251	8.9
159.11682	5.7
161.13272	7.4
163.14812	2.6
173.13249	5.1
175.14763	1.3
187.14789	1.9
236.02803	1.4
243.21072	6.7
261.22217	9.4
267.24881	1.2
313.97629	1.2
317.24957	2.7
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	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03934	4.6
55.01868	1.8
55.05268	1.8
55.05514	24.9
57.03441	23.7
57.07059	3.5
59.86075	1.1
65.03935	3.9
67.05505	100.0
68.42995	1.0
69.07070	24.6
69.77314	1.1
70.27016	1.2
70.80508	1.3
70.80847	2.4
71.04983	5.0
71.08593	1.7
79.05497	47.0
81.07057	94.4
83.04976	2.0
83.08619	12.1
84.28381	1.4
85.06534	3.0
91.05479	26.0
93.07040	57.1
93.22416	1.1
95.04962	4.4
95.08607	72.7
97.06515	3.1
97.10146	1.6
105.04507	2.0
105.07028	18.3
107.08597	30.2
109.06522	3.1
109.10161	29.5
109.10928	1.5
111.08099	1.9
117.07014	5.7
119.08588	12.3
121.10143	22.6
123.08043	3.0
123.11707	11.1
124.54533	1.3
125.84084	1.3
131.08560	8.6
133.10143	10.3
135.11711	14.2
137.13257	3.6
145.10155	6.7
147.11700	5.8
149.13269	8.5
159.11682	4.6
161.13237	5.4
163.14847	2.3
173.13275	5.6
175.14832	1.7
179.14357	1.8
187.14857	3.7
201.16313	1.7
243.21075	4.2
261.22162	9.6
305.16794	1.3
335.25806	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03938	5.1
55.05514	26.9
57.03439	26.8
57.07058	2.1
65.03944	6.9
67.05508	100.0
69.07072	20.5
69.80148	7.7
71.04990	2.8
79.05497	49.7
81.07059	89.2
83.04950	2.0
83.08624	9.8
85.06505	1.9
91.05483	25.8
93.07047	54.3
95.04959	3.8
95.08608	69.6
97.06535	3.6
97.10155	3.0
98.21495	2.1
99.89043	1.3
105.07043	15.1
107.08601	25.6
109.06506	1.8
109.10162	29.1
111.08078	2.0
117.07013	5.8
119.06188	1.1
119.08580	13.1
121.10145	19.6
121.12481	1.4
123.08069	1.3
123.11688	10.3
131.08586	7.4
133.10117	10.4
135.11690	15.8
137.13280	3.6
145.10129	5.5
147.11697	6.3
149.13264	7.4
159.11691	5.1
161.13225	4.2
163.14801	3.4
173.13277	4.3
175.14871	2.4
177.16428	1.6
187.14807	2.5
217.19543	1.3
218.89317	1.3
243.21136	3.9
261.22168	9.8
275.23672	1.5
288.32590	1.2
317.24557	2.2
335.25806	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	335.2218
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
53.03927	2.9
55.05505	12.2
57.03448	5.2
57.07057	7.8
65.45223	3.4
67.05500	34.5
69.07050	12.8
70.06579	15.0
71.06915	6.0
79.05499	36.7
81.07059	49.7
83.04967	7.0
83.08591	7.3
88.07613	11.8
91.05478	44.1
93.07041	59.9
95.04937	5.2
95.08054	5.3
95.08611	56.5
97.06506	10.8
100.40464	3.4
104.07212	3.4
105.07034	61.7
107.08614	42.9
109.06515	9.3
109.10173	30.0
111.04403	4.5
111.08099	3.8
117.07020	21.8
119.08578	41.2
121.02907	19.6
121.06470	5.3
121.10143	48.2
123.08054	9.5
123.11699	8.4
124.38355	3.6
125.09584	5.8
129.06987	11.7
131.08588	24.7
132.10150	5.2
133.10121	59.5
135.08038	7.6
135.11690	29.0
137.09616	10.2
139.11160	4.0
141.06985	5.4
142.07703	3.7
143.08569	16.9
145.10129	42.2
146.11687	6.2
147.11687	46.8
149.09622	11.7
149.13271	19.1
151.11189	10.9
155.08511	9.5
155.10585	4.7
157.10120	24.0
159.11714	32.8
160.78685	4.2
161.13269	18.7
163.11162	10.8
165.12813	5.4
169.10191	11.0
171.11693	19.1
173.13313	9.5
175.11176	5.4
179.10675	13.1
181.12204	9.5
183.11682	14.0
185.13281	6.8
187.14815	7.0
189.12825	3.8
193.12212	15.1
193.50073	4.1
197.13266	21.8
199.14748	4.6
205.12143	4.0
207.13791	4.5
211.14870	7.5
225.16316	6.9
227.18010	4.2
228.23233	4.4
229.23511	15.4
241.19461	15.2
243.21063	13.7
253.19513	63.8
269.18958	8.2
271.20578	81.9
272.25912	5.5
273.26166	33.7
281.18930	10.3
287.20184	17.1
289.21643	56.8
299.20053	38.2
317.21051	37.9
335.22119	41.7
335.29843	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.222
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
54.66269	3.3
55.05513	16.0
57.07080	7.9
65.03959	4.9
67.05517	30.7
69.07072	14.6
69.45406	3.0
70.06599	20.2
71.06940	3.8
71.51274	6.0
72.08164	4.0
72.80608	3.5
77.71671	3.2
79.05500	46.5
81.07063	54.8
83.04997	6.2
83.08618	6.1
86.09720	4.7
88.07645	8.6
91.05486	52.1
93.07053	64.9
95.04970	8.2
95.08623	59.9
97.06554	4.4
103.05468	5.3
105.07037	70.3
107.08607	55.5
109.02906	4.4
109.06536	9.8
109.10176	24.1
111.08116	5.5
116.39137	2.9
117.07016	21.5
119.08601	50.2
120.08101	3.6
121.02880	23.2
121.06564	5.6
121.09335	5.0
121.10158	53.6
123.08095	10.0
123.11732	13.7
124.84077	3.7
125.09649	8.0
129.07030	15.6
131.08585	34.8
132.10191	4.0
133.10144	76.4
135.08066	11.2
135.11725	29.2
137.09634	9.2
141.06998	4.5
142.07857	3.9
143.08563	12.2
145.10152	47.3
146.11786	6.2
147.11691	55.5
149.09610	12.2
149.13251	16.3
151.11197	12.7
155.08534	12.3
155.10658	6.7
156.09364	3.9
157.10155	25.1
159.11700	37.7
161.09636	6.7
161.13228	24.2
163.11230	13.3
163.14795	3.4
167.10690	3.7
169.10144	13.0
171.11711	19.3
173.13290	14.4
175.07460	4.0
175.14787	5.0
179.10654	21.2
181.10016	5.5
181.12315	13.0
183.11720	11.3
183.95766	3.4
185.13298	14.2
187.11145	5.3
187.14891	9.5
189.12819	5.9
191.10680	4.8
193.12253	19.2
195.11716	4.6
197.13264	22.8
203.10724	4.1
207.13766	5.6
211.14832	13.7
213.16408	6.9
219.13977	4.3
225.16440	9.3
227.18034	6.6
229.23566	14.6
241.19528	16.4
243.21147	14.2
251.17836	3.7
253.19524	76.4
259.20648	3.9
269.18964	11.1
271.20605	94.7
272.25763	3.7
273.26254	32.1
273.93976	3.8
281.19070	12.2
287.20132	15.6
289.18390	3.8
289.21680	77.1
299.20059	48.4
317.21155	53.3
335.22144	58.4
335.29883	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2211
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
53.03964	1.3
55.05508	4.0
57.07076	1.3
65.34002	1.0
67.05180	1.3
67.05510	16.7
67.35790	1.0
69.07075	3.3
71.50574	1.3
77.62712	1.1
79.05499	9.3
80.92740	1.1
81.07069	15.3
83.08598	1.3
85.06551	1.6
91.05478	4.7
93.07061	19.3
95.08617	100.0
96.08973	1.1
105.07050	8.4
107.08607	14.6
109.10171	14.8
117.07023	1.2
119.08548	6.6
121.10152	22.8
122.25159	1.2
123.08128	1.4
123.11707	3.7
129.07014	1.5
131.08591	3.6
133.10088	6.0
135.11697	14.0
143.08635	1.4
145.10121	2.4
147.11658	6.2
149.13287	12.0
155.10664	1.8
159.11664	2.3
161.13316	3.8
163.14848	1.7
167.10713	1.6
173.13217	1.8
187.14923	1.4
193.12219	2.2
195.13831	6.0
205.12332	1.1
219.13951	1.3
243.21107	11.3
253.19664	1.3
261.22205	1.2
271.20645	4.4
289.21658	27.7
317.21301	1.2
335.21997	96.7
335.25732	6.3
336.22263	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	335.2215
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
53.03947	4.5
55.01869	1.2
55.05515	27.9
57.03440	26.4
57.07081	2.7
65.03934	4.0
67.05508	100.0
69.03434	0.9
69.07072	25.2
69.90569	2.5
71.04993	2.5
77.03934	1.2
79.05498	54.6
81.03436	0.8
81.07061	90.4
83.04986	2.6
83.08627	10.5
85.06558	2.2
87.04510	0.6
91.05487	27.3
91.71718	0.6
93.07050	54.8
95.04968	3.7
95.08611	74.7
97.06538	4.0
97.10167	4.9
99.08109	1.2
105.04525	2.0
105.07037	16.3
106.81945	0.6
107.08597	27.0
109.06558	2.0
109.10162	28.1
111.08098	2.2
113.09686	0.7
117.07016	4.3
119.08584	15.0
121.06555	1.1
121.10150	21.5
123.08049	1.9
123.11717	8.0
125.53575	0.6
131.08580	8.7
133.10130	10.4
135.08093	1.0
135.11697	14.1
137.09619	1.7
137.13251	2.1
139.11188	1.4
145.10097	6.2
147.11690	8.1
149.09656	1.6
149.13272	8.2
151.11154	1.2
157.10139	0.9
159.11719	4.6
161.13258	6.5
163.11221	1.3
163.14818	3.0
165.12782	1.1
171.11810	0.8
173.11989	0.7
173.13266	4.8
175.14847	2.1
177.12672	1.1
179.14337	1.2
187.14891	2.2
189.16498	0.8
193.12260	2.6
195.13875	1.0
201.16351	1.8
207.13892	1.8
243.21098	9.5
245.22781	0.9
253.19502	2.1
261.22192	6.1
271.20584	4.6
273.18588	1.3
285.66489	0.6
289.21631	28.9
297.51343	0.7
299.20105	1.6
317.21072	0.8
335.21930	13.5
335.25769	82.4
336.26059	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2219
Annotation	Excoecarin V2
Peak:m/z	Relative Intensity
55.05516	10.7
57.03434	4.0
57.07082	2.1
57.35613	1.8
57.75594	1.6
58.06610	2.8
65.05688	1.8
67.05508	18.2
68.57082	1.7
69.07071	9.7
69.24819	10.3
69.25245	7.3
70.62495	1.9
79.05494	21.2
80.89736	1.9
81.07061	27.3
83.08620	3.9
88.07652	9.8
89.07940	3.4
91.05477	12.9
93.06566	2.8
93.07062	29.0
95.04937	2.1
95.08611	49.4
97.10180	3.9
105.07031	15.9
107.08598	17.7
109.10172	20.8
117.07020	4.1
119.08590	20.0
121.10145	20.2
123.11702	6.5
127.67284	1.7
131.08549	7.8
132.10211	3.9
133.10133	14.7
135.08064	4.3
135.11699	21.5
141.30940	1.8
144.49373	1.7
145.10112	13.7
147.11713	16.9
149.13237	10.1
157.10129	4.4
159.11656	8.4
160.53584	1.8
161.09743	3.4
161.13242	8.1
163.11130	2.9
163.14795	6.2
165.06987	1.9
165.12753	3.6
169.10205	3.7
171.11745	5.5
173.13301	10.4
175.14825	6.3
179.10689	3.0
179.14343	3.5
185.13321	2.6
187.14789	6.4
193.12219	6.0
195.11757	2.5
197.13356	2.5
201.16508	3.4
207.13818	4.4
212.09930	2.0
219.13799	2.7
242.24666	3.3
243.21120	30.7
243.25015	11.0
245.22536	3.8
253.19646	2.9
261.22070	10.1
271.20587	11.3
287.27695	4.6
289.21634	100.0
290.21893	4.2
293.22971	3.0
299.20187	4.4
304.06226	2.0
317.20956	1.9
335.12582	2.0
335.21835	14.9
335.25983	3.6
335.29727	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	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
58.33018	0.9
62.83799	1.0
65.03939	3.9
67.05501	3.9
69.07072	100.0
69.71917	5.0
79.05498	3.4
81.03426	1.2
81.07061	5.6
92.05020	3.9
93.07062	2.0
94.05595	0.8
94.06586	3.9
94.34184	0.8
95.04971	1.2
96.08136	1.2
97.06538	15.8
105.07046	2.5
107.08604	1.3
109.02904	1.5
119.03674	1.9
119.08588	1.2
120.04460	1.4
121.05257	0.9
122.06039	9.5
124.07597	2.4
126.56194	0.9
129.06964	0.9
137.06000	3.5
138.05518	5.7
140.07082	6.4
144.08119	2.7
145.08888	3.7
145.10109	1.8
146.09679	3.4
147.06819	1.5
148.03954	4.6
150.05513	75.4
157.08882	2.2
158.09662	1.1
159.08084	1.3
160.07602	2.2
160.11206	1.4
161.08372	4.1
162.09117	2.5
165.04080	1.1
166.05019	29.1
168.06573	1.1
170.09735	1.3
172.07574	2.5
172.11258	5.4
173.08385	2.2
173.09691	1.1
174.09154	2.0
174.12785	6.3
176.03447	9.1
178.05022	1.9
182.09662	1.0
183.12096	0.9
185.08424	2.0
186.09180	0.9
188.10759	1.3
190.08617	1.0
190.12314	4.9
194.04552	3.5
198.09314	1.5
200.10760	7.4
202.12331	7.3
213.10208	1.5
216.10233	3.0
218.08392	1.4
218.11774	29.5
226.08777	1.6
228.10243	17.1
229.13457	1.4
234.11397	3.0
241.09689	1.4
244.09579	2.0
245.12872	2.5
246.11290	28.9
254.08032	1.1
255.11401	1.4
256.09628	1.1
257.09232	1.3
261.08673	1.6
261.12488	0.9
262.10654	1.5
271.10919	4.5
272.09134	3.0
273.12347	3.5
274.10828	3.5
287.10303	7.4
289.08899	1.3
289.11841	10.1
290.10187	2.5
299.10294	6.9
300.08865	1.4
317.11328	25.5
335.08698	1.5
335.12375	17.4
335.16006	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.5
57.03424	3.8
61.02926	3.6
61.98225	1.9
67.05504	4.5
69.03438	9.1
69.07050	1.9
70.84641	4.5
70.84987	1.9
71.97480	1.7
73.20453	1.8
73.81005	2.0
81.03452	2.3
81.07045	3.0
83.01333	2.0
83.05016	3.0
85.02896	11.3
91.05489	3.0
93.07055	3.4
97.02882	2.0
103.03941	4.3
105.07007	4.8
119.08600	2.8
121.02903	2.1
121.06547	2.5
121.76916	1.9
129.07103	2.2
130.07837	2.6
131.08595	5.7
135.04384	2.3
135.08072	2.5
137.05980	4.0
141.07048	2.4
142.07684	2.7
143.08575	8.0
145.06474	4.1
145.10117	5.8
147.08104	2.3
149.09628	2.0
151.80305	2.2
155.08582	3.8
157.10124	5.3
159.08060	19.6
159.11703	4.2
161.06033	4.8
161.09645	3.5
163.03963	4.5
163.07573	2.1
166.05066	2.2
168.09334	3.4
169.10190	5.4
171.08063	4.5
172.08842	4.1
173.06078	4.2
173.09688	4.8
174.06796	7.2
174.10381	11.9
175.07581	6.3
175.11165	3.7
181.06728	2.2
183.08066	3.9
183.11722	3.5
185.05992	2.8
185.09647	4.3
187.07539	9.5
187.11148	10.5
188.06929	1.9
188.08357	6.9
189.09140	15.3
191.10695	5.5
193.10089	2.9
195.08083	2.6
196.08852	5.3
197.09641	4.9
199.07567	6.5
199.11298	1.9
200.08359	6.9
201.09117	6.9
201.12817	2.4
203.10686	37.8
209.05803	2.0
211.07625	2.8
211.11133	10.4
213.05568	3.0
213.09013	8.8
214.09875	4.0
215.10684	100.0
217.12157	2.3
227.07108	2.7
227.10695	8.7
228.07722	2.8
229.08618	3.8
229.12177	11.2
231.10275	3.4
239.10655	4.1
240.09032	3.4
242.09468	7.3
243.10332	2.5
253.12340	3.6
257.11740	96.8
258.12314	3.4
269.11911	3.0
271.10773	2.3
281.11816	5.5
287.10321	2.5
287.12921	19.5
299.09778	9.5
299.13193	14.6
317.10641	10.2
317.14502	11.0
335.14969	63.4
335.18921	3.5
336.15228	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	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45688	1.1
55.01867	2.4
55.77222	1.0
65.03922	1.7
67.05504	1.9
69.07075	9.7
69.77294	2.4
69.77690	3.3
70.06581	4.8
79.05505	1.7
81.03439	1.4
81.07050	1.8
84.04499	2.0
84.08133	2.0
85.94004	1.1
91.05470	1.9
91.07424	1.0
94.06531	2.1
96.04469	2.1
97.02859	1.6
97.06535	3.0
105.07008	1.1
108.04467	1.9
108.61952	1.1
115.05466	1.3
117.07015	2.1
118.06541	1.6
120.08092	1.4
122.06027	4.5
124.07565	2.1
126.05476	1.1
128.06239	1.4
129.07014	2.1
129.52861	1.1
131.07338	1.2
131.08525	1.8
132.08026	1.2
136.07550	6.1
137.05975	2.2
138.05469	1.7
140.07072	1.5
141.10211	1.2
143.07248	2.0
143.08543	1.2
144.08080	4.5
145.08846	1.3
146.06000	3.2
146.09668	1.3
150.05518	8.4
154.06598	1.5
156.08102	3.5
157.08871	1.4
158.06042	1.3
158.09639	2.3
159.53569	1.1
160.07555	4.2
161.10716	1.9
164.07056	3.4
166.04976	4.4
170.06117	1.2
170.09628	2.7
172.07585	13.4
172.11266	1.4
173.10727	4.5
174.07825	1.6
174.09172	3.4
175.08646	5.3
182.08287	1.4
184.07616	14.6
185.04617	1.1
186.09222	9.2
187.08684	2.4
187.12331	2.7
188.07082	4.5
189.07553	2.2
189.10231	6.9
197.10728	1.7
198.07631	1.2
198.09207	12.9
199.08685	5.7
200.07063	19.7
200.09373	4.5
201.06471	1.2
201.10255	17.2
202.08679	2.0
211.08731	7.5
212.07201	6.3
212.09087	1.5
213.06619	1.9
213.10283	3.2
214.07001	1.5
214.08673	4.8
215.08212	4.6
215.11829	10.0
216.08765	1.9
217.09724	13.5
217.56041	1.1
218.11772	1.5
225.10188	4.8
226.08632	4.4
227.08113	8.7
227.11774	1.2
228.06712	6.0
228.10449	1.8
229.07523	2.0
229.09752	42.7
230.10448	1.4
233.09302	1.3
239.08171	2.3
241.09758	2.7
242.08234	2.3
242.10480	2.6
243.11305	29.1
245.09236	51.0
253.09738	11.5
254.08134	1.2
257.09277	11.3
259.10791	10.1
261.12378	1.7
271.10803	100.0
272.08987	2.3
273.12350	2.7
275.10565	1.9
281.09280	19.4
287.10275	50.2
288.10922	3.2
289.11856	20.0
299.10284	38.3
303.09903	1.1
304.10440	1.5
305.11264	12.2
317.11334	35.8
335.08670	2.0
335.12424	21.2
335.16025	1.3
342.85056	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45688	1.1
55.01867	2.4
55.77222	1.0
65.03922	1.7
67.05504	1.9
69.07075	9.7
69.77294	2.4
69.77690	3.3
70.06581	4.8
79.05505	1.7
81.03439	1.4
81.07050	1.8
84.04499	2.0
84.08133	2.0
85.94004	1.1
91.05470	1.9
91.07424	1.0
94.06531	2.1
96.04469	2.1
97.02859	1.6
97.06535	3.0
105.07008	1.1
108.04467	1.9
108.61952	1.1
115.05466	1.3
117.07015	2.1
118.06541	1.6
120.08092	1.4
122.06027	4.5
124.07565	2.1
126.05476	1.1
128.06239	1.4
129.07014	2.1
129.52861	1.1
131.07338	1.2
131.08525	1.8
132.08026	1.2
136.07550	6.1
137.05975	2.2
138.05469	1.7
140.07072	1.5
141.10211	1.2
143.07248	2.0
143.08543	1.2
144.08080	4.5
145.08846	1.3
146.06000	3.2
146.09668	1.3
150.05518	8.4
154.06598	1.5
156.08102	3.5
157.08871	1.4
158.06042	1.3
158.09639	2.3
159.53569	1.1
160.07555	4.2
161.10716	1.9
164.07056	3.4
166.04976	4.4
170.06117	1.2
170.09628	2.7
172.07585	13.4
172.11266	1.4
173.10727	4.5
174.07825	1.6
174.09172	3.4
175.08646	5.3
182.08287	1.4
184.07616	14.6
185.04617	1.1
186.09222	9.2
187.08684	2.4
187.12331	2.7
188.07082	4.5
189.07553	2.2
189.10231	6.9
197.10728	1.7
198.07631	1.2
198.09207	12.9
199.08685	5.7
200.07063	19.7
200.09373	4.5
201.06471	1.2
201.10255	17.2
202.08679	2.0
211.08731	7.5
212.07201	6.3
212.09087	1.5
213.06619	1.9
213.10283	3.2
214.07001	1.5
214.08673	4.8
215.08212	4.6
215.11829	10.0
216.08765	1.9
217.09724	13.5
217.56041	1.1
218.11772	1.5
225.10188	4.8
226.08632	4.4
227.08113	8.7
227.11774	1.2
228.06712	6.0
228.10449	1.8
229.07523	2.0
229.09752	42.7
230.10448	1.4
233.09302	1.3
239.08171	2.3
241.09758	2.7
242.08234	2.3
242.10480	2.6
243.11305	29.1
245.09236	51.0
253.09738	11.5
254.08134	1.2
257.09277	11.3
259.10791	10.1
261.12378	1.7
271.10803	100.0
272.08987	2.3
273.12350	2.7
275.10565	1.9
281.09280	19.4
287.10275	50.2
288.10922	3.2
289.11856	20.0
299.10284	38.3
303.09903	1.1
304.10440	1.5
305.11264	12.2
317.11334	35.8
335.08670	2.0
335.12424	21.2
335.16025	1.3
342.85056	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	2.7
68.45829	1.1
70.40078	1.6
70.40438	3.8
72.01758	1.2
79.00854	1.1
80.31391	1.3
82.99834	6.4
84.05865	1.0
85.01398	1.7
85.02953	2.1
88.01048	1.1
89.00899	1.6
94.99838	2.0
97.01402	1.5
97.02905	2.8
98.97605	4.0
101.00891	36.8
110.97536	1.4
113.00878	13.9
113.04525	1.7
115.02450	5.4
119.01932	24.0
123.05548	4.0
125.00892	1.5
127.02434	4.4
128.98560	1.4
129.04018	2.7
131.01917	17.3
131.05551	9.0
133.03450	5.7
137.00851	4.7
143.01907	100.0
145.03458	9.6
147.01410	1.9
147.05037	3.3
149.06650	7.1
155.01903	30.9
155.05557	5.4
156.02646	3.6
156.69939	1.4
157.03497	3.5
158.99654	1.4
159.05054	4.5
161.02972	68.5
167.05640	2.3
169.03474	2.4
169.07120	2.0
171.05127	2.0
173.02979	18.5
173.06621	29.0
177.06050	2.8
185.03018	4.9
185.06612	30.1
187.04594	2.3
187.08191	4.0
189.06142	1.4
191.07674	4.8
197.06679	1.9
199.08054	1.7
201.06058	2.6
203.04008	13.3
203.05591	1.2
203.06001	1.7
203.07623	11.0
209.06717	1.5
215.04114	1.6
215.07672	14.4
221.05086	22.1
227.07756	3.8
229.17700	1.2
233.08806	3.0
245.05093	2.9
247.06619	1.4
257.08719	7.7
263.06177	1.4
275.06522	2.6
275.09763	42.1
293.10831	79.2
294.11105	1.8
309.53241	1.4
316.12552	1.5
335.11905	41.3
337.63049	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.0
56.05039	0.4
58.06596	0.3
63.07765	0.3
67.05507	1.5
69.07063	0.6
70.06596	0.5
70.75694	0.8
72.94152	0.3
79.05490	1.5
80.45779	0.3
81.07065	4.6
82.06575	1.0
83.08611	0.6
91.05468	2.7
92.05795	0.8
93.07047	4.0
94.06593	0.6
95.04938	0.5
95.08614	7.1
95.09180	0.3
96.08117	0.4
97.10165	0.5
102.68079	0.4
105.07027	3.1
107.08585	4.0
109.06510	0.5
109.10159	4.4
117.07020	0.4
119.08581	3.2
120.08102	0.9
121.02901	0.3
121.10157	4.8
123.08055	1.1
123.11675	0.7
125.09617	0.4
129.06999	0.6
131.08554	1.1
133.10127	2.7
135.08051	0.4
135.11693	3.7
139.11194	0.4
140.10721	0.8
143.08609	0.6
145.10109	2.7
147.11690	2.4
148.11218	0.5
149.13281	2.6
151.07549	0.5
154.12270	0.6
155.08624	0.4
157.10112	0.8
159.11661	1.1
161.09615	0.4
161.13260	1.2
161.49835	0.3
162.09125	0.4
163.11156	0.5
169.10181	0.4
171.11720	0.3
173.13228	0.7
175.14813	0.6
177.12747	0.3
179.10675	0.7
183.11618	0.5
187.14833	0.9
189.16484	0.3
190.12277	0.3
193.12213	0.4
197.13301	0.7
201.16484	0.3
211.14864	0.4
213.09114	0.8
213.16502	0.4
227.17902	1.1
243.21071	2.6
253.19505	1.7
270.22189	3.0
271.20468	1.1
272.23843	0.3
273.18494	1.1
288.23285	0.7
289.21564	0.4
298.21622	0.7
299.20169	0.4
306.24146	0.7
316.22739	7.4
334.23767	100.0
335.24310	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20488	1.0
53.89032	1.0
55.01888	1.3
57.03431	2.2
60.79732	1.1
61.02919	3.7
63.07622	1.0
69.03436	5.5
71.30345	1.7
71.62733	1.0
81.03414	3.0
84.08163	1.2
85.02912	28.0
91.03983	1.6
91.05484	13.6
97.02911	9.2
109.02894	1.9
119.04942	8.8
127.03934	4.3
137.05989	100.0
138.06335	2.2
145.04955	6.9
153.34982	1.0
155.07043	8.1
156.75320	1.2
179.07159	1.6
180.08621	2.2
206.19226	1.1
237.08444	1.2
281.10367	1.5
334.13666	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	333.2054
Annotation	Cespihypotin V
Peak:m/z	Relative Intensity
55.05499	2.3
57.03434	1.8
57.07062	1.0
63.79926	0.9
67.05510	4.9
69.07059	2.7
69.56511	3.3
69.56940	3.1
79.05492	4.9
80.01638	0.9
81.07058	11.5
83.04956	1.4
83.08638	2.1
86.94611	0.9
87.04478	1.0
88.07652	1.0
91.05495	7.2
93.07050	8.8
95.04950	3.4
95.08618	7.8
96.83356	1.0
97.06527	1.4
98.21370	1.3
98.98469	20.5
100.98883	1.5
105.07040	10.6
107.08613	6.5
109.06548	1.9
109.10169	6.7
117.07042	2.7
119.08595	7.6
121.02879	1.3
121.06493	1.4
121.10130	5.7
123.08105	2.2
123.11697	1.4
127.11205	2.6
128.06219	1.2
131.08582	4.6
133.06491	2.0
133.10181	7.8
135.08043	2.8
135.11705	2.7
137.06026	1.1
139.07565	2.3
143.08539	4.7
145.10158	5.1
147.08072	1.6
147.11708	4.7
149.13242	3.0
151.07516	2.8
153.09128	3.0
157.10155	2.9
159.08116	1.4
159.11708	3.0
161.05977	1.3
161.09605	3.5
161.13240	2.1
169.10129	1.8
171.11726	2.5
173.13246	1.5
175.11139	1.1
176.98965	1.6
177.05479	1.8
177.09126	1.4
183.11751	1.2
185.13243	2.5
187.11214	1.2
189.12776	1.7
195.11642	2.6
199.11179	1.2
209.13312	1.8
210.88408	1.1
225.16365	1.5
241.19504	3.8
243.17459	2.3
251.17998	8.7
259.20624	1.1
269.19016	23.3
281.32516	1.0
287.20059	15.3
290.95764	0.9
297.18518	7.6
315.19669	12.7
333.17062	3.8
333.20407	100.0
333.31894	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	333.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.01867	3.1
55.05526	11.1
56.34899	1.9
56.96557	2.1
57.03444	2.7
57.07071	4.2
59.05012	3.5
65.03953	2.2
67.05507	17.9
69.03422	6.1
69.07064	6.3
71.04977	5.7
71.51231	2.7
77.03954	2.4
79.05503	16.3
81.07058	24.4
83.04968	5.5
83.08617	6.2
84.40041	2.0
85.02881	2.6
85.06555	17.2
86.98363	1.9
91.05483	33.5
93.07053	100.0
95.04985	14.3
95.08601	22.5
97.06526	8.3
98.98479	34.0
99.08077	4.0
100.98889	2.7
103.05499	2.5
105.07036	31.2
107.08595	25.2
109.06541	12.4
109.10162	10.6
111.04485	2.9
111.08086	6.9
113.09636	2.4
115.05437	3.3
117.07069	13.2
119.04943	2.0
119.08591	20.1
121.02853	3.9
121.06534	15.5
121.10152	11.9
123.04440	2.6
123.08096	11.0
123.11755	3.0
125.09609	10.5
127.11188	4.6
128.06255	2.4
129.07037	6.1
131.08597	16.8
133.10149	21.6
135.04413	7.0
135.08058	8.3
135.11708	9.9
137.05966	4.9
137.09621	4.6
141.06993	3.9
142.07788	3.9
143.08574	12.5
144.09358	3.1
145.06458	2.5
145.10127	25.0
147.04398	3.3
147.08052	6.8
147.11702	17.6
149.09595	5.5
149.13306	2.6
151.07565	18.2
151.11169	3.5
153.09109	17.5
155.08536	9.2
156.09383	2.5
157.10147	24.9
159.08037	3.1
159.11710	39.5
161.09666	4.9
161.13306	4.9
163.07536	13.6
163.11172	7.0
167.08568	4.4
168.09273	2.7
169.10141	7.0
170.10855	2.8
171.11723	12.5
173.09621	6.8
173.13261	9.1
175.11165	6.2
176.98924	4.3
177.09146	6.4
177.12801	3.7
179.10811	2.5
181.10068	3.6
183.11681	7.8
185.09660	3.4
185.13274	9.1
187.11243	5.9
187.14883	2.9
189.09050	5.6
189.12796	6.5
195.11720	7.0
197.13307	7.8
199.11205	6.0
199.14774	4.7
201.05338	2.1
201.12737	7.3
203.10661	6.7
203.14302	3.1
207.11848	2.4
207.13814	4.8
209.13274	11.9
211.14859	6.4
213.12805	2.2
213.16409	9.2
215.14368	5.7
217.12282	3.6
219.13821	16.4
223.14821	8.9
225.16437	3.7
227.14116	2.2
227.18034	4.0
229.12273	3.3
229.15924	2.4
231.13763	3.2
237.16446	4.1
239.18022	4.2
241.15880	2.7
245.11688	5.1
247.13310	4.4
251.17892	5.5
253.19521	6.5
255.17416	11.8
269.18958	5.1
272.25891	3.4
273.07520	11.2
273.18561	3.3
277.14337	3.1
279.21024	27.6
287.20123	4.1
289.18002	3.5
297.18634	2.3
297.22125	49.8
305.21185	12.8
308.54132	2.0
315.19528	12.1
315.23053	7.1
333.20602	94.9
333.24057	4.9
334.20724	3.9
334.29431	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	333.2049
Annotation	Sarcostolide G
Peak:m/z	Relative Intensity
55.05506	1.8
57.03448	1.8
65.61735	1.5
65.64143	1.5
67.05505	7.1
69.07059	2.3
69.17406	12.5
69.17825	3.9
79.05504	7.2
81.07063	10.0
81.48376	1.8
84.66633	1.5
84.93959	1.6
88.07620	2.1
88.09515	1.5
89.00986	1.8
91.05483	7.7
93.07055	8.8
95.04979	2.2
95.08609	6.1
97.06479	1.7
98.21558	2.6
98.98479	16.3
105.07018	10.9
107.08614	5.7
109.10159	4.4
117.06991	4.7
119.08592	7.3
121.02863	1.8
121.10148	4.9
121.34000	1.6
129.06996	2.5
131.08594	6.0
133.10144	9.2
135.11713	3.7
143.08566	2.7
145.10152	6.7
147.11697	3.8
157.10114	6.2
159.11703	6.5
161.13387	1.8
169.10173	2.3
171.11729	4.3
173.13272	1.7
177.05507	2.0
181.10150	2.4
183.11726	4.7
195.11790	2.8
197.13196	3.4
209.13242	2.8
239.18094	7.4
241.19511	3.5
247.13321	2.2
251.18106	8.9
257.19073	4.4
269.18954	12.7
285.18579	3.0
285.89844	1.9
287.20056	13.1
297.18478	5.7
315.19595	10.6
333.20407	100.0
334.23892	2.5
334.29596	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2062
Annotation	Sordaricin
Peak:m/z	Relative Intensity
55.05511	12.6
56.96570	6.5
64.12805	5.4
67.05503	25.4
69.07053	8.8
70.43931	19.9
79.05498	39.2
81.07067	44.4
87.96190	5.6
88.07612	10.9
91.05486	40.2
93.07050	48.3
95.04989	6.3
95.08622	49.2
97.06544	5.6
98.02644	5.3
98.98466	36.9
105.07041	45.4
107.08605	36.0
109.10184	13.0
117.07003	33.8
119.08601	41.9
121.06532	7.9
121.10155	19.4
123.08075	8.2
127.11217	7.5
129.07005	37.6
131.08582	36.3
133.10139	45.4
135.11697	15.6
137.09589	5.5
141.06967	16.3
142.07771	7.1
143.08563	21.2
145.10109	33.1
147.11679	23.6
155.08580	20.7
157.10185	33.9
159.11659	31.3
161.09624	8.9
161.13281	9.9
167.08751	6.0
169.10147	24.0
171.11726	30.0
173.13258	7.7
175.11143	9.3
175.14940	6.5
179.10686	6.0
181.10173	13.6
183.11707	36.5
185.13229	9.8
195.11771	19.2
197.13307	5.8
198.04649	5.6
199.14705	6.6
209.13237	18.7
211.14857	17.5
213.16646	5.6
223.14861	12.9
225.16423	15.4
227.18001	8.2
239.17960	73.3
241.16037	8.5
241.19470	12.2
242.24718	7.1
251.17957	59.0
255.13800	8.8
257.19019	25.7
269.18982	96.5
279.17535	7.3
285.18625	31.7
287.20071	100.0
297.18423	47.1
303.19623	9.6
315.19617	20.9
328.95691	6.7
333.20456	95.4
333.24356	9.8
334.29541	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	333.204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.05502	1.9
57.03436	0.9
63.75908	0.8
67.05500	3.4
69.07040	1.2
71.04984	1.9
79.05482	2.4
81.07057	3.6
83.08619	1.1
85.77541	0.8
90.02464	0.8
91.05473	3.6
93.07057	4.1
95.08620	3.3
97.52917	0.9
98.98470	13.5
99.76941	0.7
100.98912	0.8
105.07040	4.6
107.04969	1.2
107.08600	2.6
109.02868	1.0
109.06531	1.4
109.10169	2.6
117.07018	1.2
119.08569	3.9
121.02872	0.8
121.10151	1.6
125.09603	0.9
127.11216	5.7
131.08594	1.2
133.10158	2.3
135.08012	1.0
135.11714	0.8
137.09593	1.0
142.07790	1.0
143.08551	2.1
146.43231	0.8
147.11694	1.8
148.31099	1.1
159.11646	2.1
161.13266	1.4
173.13377	1.0
176.98897	1.2
189.09137	1.0
199.58900	0.9
203.10652	0.9
207.10130	0.9
221.11441	1.2
234.77826	0.9
235.13162	1.6
251.12720	0.9
262.10043	1.0
315.19385	1.0
333.20395	100.0
334.20746	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.3
57.03434	1.8
57.07062	1.0
63.79926	0.9
67.05510	4.9
69.07059	2.7
69.56511	3.3
69.56940	3.1
79.05492	4.9
80.01638	0.9
81.07058	11.5
83.04956	1.4
83.08638	2.1
86.94611	0.9
87.04478	1.0
88.07652	1.0
91.05495	7.2
93.07050	8.8
95.04950	3.4
95.08618	7.8
96.83356	1.0
97.06527	1.4
98.21370	1.3
98.98469	20.5
100.98883	1.5
105.07040	10.6
107.08613	6.5
109.06548	1.9
109.10169	6.7
117.07042	2.7
119.08595	7.6
121.02879	1.3
121.06493	1.4
121.10130	5.7
123.08105	2.2
123.11697	1.4
127.11205	2.6
128.06219	1.2
131.08582	4.6
133.06491	2.0
133.10181	7.8
135.08043	2.8
135.11705	2.7
137.06026	1.1
139.07565	2.3
143.08539	4.7
145.10158	5.1
147.08072	1.6
147.11708	4.7
149.13242	3.0
151.07516	2.8
153.09128	3.0
157.10155	2.9
159.08116	1.4
159.11708	3.0
161.05977	1.3
161.09605	3.5
161.13240	2.1
169.10129	1.8
171.11726	2.5
173.13246	1.5
175.11139	1.1
176.98965	1.6
177.05479	1.8
177.09126	1.4
183.11751	1.2
185.13243	2.5
187.11214	1.2
189.12776	1.7
195.11642	2.6
199.11179	1.2
209.13312	1.8
210.88408	1.1
225.16365	1.5
241.19504	3.8
243.17459	2.3
251.17998	8.7
259.20624	1.1
269.19016	23.3
281.32516	1.0
287.20059	15.3
290.95764	0.9
297.18518	7.6
315.19669	12.7
333.17062	3.8
333.20407	100.0
333.31894	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	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81078	0.6
55.05530	0.6
56.57561	0.6
69.07062	0.9
70.06540	1.3
70.06950	1.9
79.05473	0.9
81.07044	1.2
91.24948	0.6
93.07053	1.4
95.08598	1.2
95.82068	0.6
98.98476	3.7
105.07004	1.8
107.08582	0.8
109.10133	1.0
119.08601	1.1
119.42874	0.6
122.30772	0.6
131.08569	0.6
137.05998	1.3
142.38600	0.6
147.11711	1.0
176.98959	0.7
287.20132	0.8
315.19342	1.1
333.20386	100.0
334.20667	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1909
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03948	5.4
55.01869	6.2
55.05502	7.5
57.03443	11.6
57.07086	15.6
59.05004	15.1
61.02926	9.6
67.05508	13.4
69.03429	41.7
69.07071	32.8
70.06586	2.5
70.88657	5.0
71.04993	7.0
73.02901	3.8
73.06558	2.6
79.05489	5.6
81.03414	13.7
81.07063	11.3
83.04996	3.1
83.08633	5.6
85.02909	90.5
85.06554	13.8
85.62656	2.2
86.06076	3.5
86.09706	6.8
87.04466	8.0
91.03943	4.3
91.05489	5.6
93.07037	10.2
95.04991	4.5
95.08614	63.8
97.02892	29.1
97.06522	12.7
98.06020	3.5
98.98483	17.7
99.04449	5.4
99.08085	17.3
107.08576	12.9
109.02888	8.8
109.06516	11.9
109.10146	24.4
111.08084	13.4
111.11707	3.2
113.09649	65.2
115.03958	4.0
115.07580	21.1
119.08562	5.6
127.03929	17.5
127.11201	44.4
131.08543	2.3
135.11678	19.4
137.09621	3.1
137.13226	4.1
145.04958	21.6
153.12744	100.0
155.14311	9.2
171.13812	49.7
173.12912	3.2
177.12776	3.3
213.14780	3.7
227.11763	6.3
287.13876	3.4
289.18414	3.0
301.11838	19.7
315.19962	9.4
333.14441	7.8
333.24734	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	333.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.7
69.03427	0.7
69.07087	1.0
70.06593	0.8
71.44567	0.6
72.08170	0.5
73.00095	0.4
79.05497	0.8
81.07072	0.5
84.04489	0.6
84.08150	1.0
85.02912	1.8
86.06044	0.4
86.09743	0.5
87.04501	0.6
91.05500	0.5
97.02903	0.8
97.06526	0.6
98.06078	0.7
98.97562	0.7
98.97815	0.5
98.98483	6.8
100.98882	0.7
107.08591	0.6
115.07579	1.1
132.95819	0.9
136.07599	0.8
137.06067	0.8
140.81071	0.4
146.97382	0.5
158.97455	0.8
171.10103	2.1
176.98882	0.9
187.42310	0.4
218.99547	0.7
231.03105	0.6
234.99037	0.4
243.08904	0.7
255.11307	0.5
289.18451	1.1
315.10049	0.5
333.15216	100.0
334.15427	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07224	0.3
53.03943	0.9
55.01871	0.6
55.05518	2.5
56.05831	0.5
65.03943	4.7
67.05514	0.9
69.03420	0.7
69.07081	0.7
70.06573	0.5
70.44155	1.2
79.05497	5.6
80.05010	0.8
81.03423	1.1
81.05811	2.1
81.07063	2.3
82.06601	1.0
83.04971	0.6
83.08617	1.4
84.08986	0.5
84.48559	0.3
85.02872	0.5
91.05473	1.4
92.04999	6.2
93.07069	0.9
94.06577	3.8
95.04980	1.0
95.08606	1.2
96.08138	14.6
97.02856	0.5
97.06553	2.1
98.98472	6.2
100.11280	2.7
101.11571	1.0
105.07030	1.4
106.06584	2.5
107.04946	0.9
107.08586	0.6
108.08094	0.5
109.05314	0.4
109.06526	1.5
109.10164	0.7
110.06040	0.9
117.05785	0.5
117.07028	0.6
119.08587	0.9
120.04469	0.7
121.10196	0.8
122.06052	1.5
124.07600	7.8
125.09614	0.5
126.09164	13.8
127.03882	0.7
134.06012	1.3
136.07587	2.5
137.06001	1.3
138.05496	5.0
140.07104	0.6
143.08600	0.5
145.10185	0.8
146.06010	1.5
148.03914	4.9
148.05006	0.6
151.07509	0.4
152.07074	100.0
154.08643	1.5
155.08653	0.5
155.55316	0.4
157.10144	0.5
159.11636	0.5
162.05521	34.4
164.07101	1.8
166.05009	75.6
167.07080	1.4
169.10059	0.5
176.98965	0.8
180.06566	24.4
182.08134	1.4
190.05014	2.9
200.10770	0.4
208.06065	63.0
211.15237	0.5
212.09384	0.6
213.10390	0.5
216.09094	0.6
217.13402	1.1
227.11821	2.3
230.10556	0.8
232.10928	0.4
240.09137	0.4
242.11986	0.8
245.12875	3.4
248.11526	0.8
255.11324	1.1
259.14493	0.9
268.72604	0.5
269.12881	1.1
270.11292	0.7
271.14297	0.5
272.11511	0.5
273.12332	5.6
287.13931	6.8
288.09979	0.7
289.14355	1.1
305.15094	1.3
315.13400	6.6
318.03812	0.6
333.11276	0.8
333.14462	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	333.0606
Annotation	Nidifocene
Peak:m/z	Relative Intensity
51.78743	0.2
54.97022	0.2
68.99779	0.5
70.19985	0.6
71.01333	0.2
75.18985	0.2
78.36388	0.2
93.03365	0.2
98.41277	0.2
98.98447	0.6
110.03661	0.5
112.01583	0.3
121.02865	0.4
122.03617	0.3
123.04429	3.4
124.01570	0.3
127.03893	0.2
135.00748	0.3
137.02350	6.7
137.03389	0.5
142.02592	0.2
147.04457	0.3
150.03107	0.7
152.01051	1.2
153.01880	0.9
154.02623	0.3
160.05193	0.6
168.00552	1.3
169.01324	2.9
170.03575	0.2
171.04434	0.2
181.01305	0.3
183.02898	0.3
186.01643	0.4
188.04674	0.8
199.03920	0.4
207.99956	0.3
215.03468	0.5
216.04176	3.2
219.03011	0.2
226.02660	0.2
227.03392	0.7
228.21162	0.2
233.04405	0.4
234.05270	0.2
243.02910	0.6
244.03708	7.1
245.04439	3.4
255.02969	0.3
257.65533	0.2
259.02353	0.2
261.03940	2.3
262.04443	0.2
271.02365	0.4
272.03186	2.5
273.03943	4.6
287.05579	0.6
289.03485	2.3
290.04233	5.1
299.01871	0.2
300.02759	0.3
301.03458	2.3
317.02945	16.7
318.03720	82.0
319.04025	1.4
333.06061	100.0
334.06451	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68459	6.8
54.16448	6.6
56.96569	7.8
63.82047	6.8
70.93836	20.4
71.13629	6.6
74.09657	6.8
85.02924	9.5
86.09711	10.8
86.32085	8.7
94.93027	78.6
98.98497	23.5
109.91689	8.2
112.89610	7.7
119.01930	15.0
136.94029	100.0
145.03470	14.0
155.01881	9.7
170.08044	8.9
177.07751	11.2
213.02376	12.8
234.89919	10.4
247.00865	7.3
258.91650	19.3
290.98010	28.7
315.13040	9.7
333.01999	15.0
333.06772	6.7
333.09558	90.1
359.24670	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	333.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68459	6.8
54.16448	6.6
56.96569	7.8
63.82047	6.8
70.93836	20.4
71.13629	6.6
74.09657	6.8
85.02924	9.5
86.09711	10.8
86.32085	8.7
94.93027	78.6
98.98497	23.5
109.91689	8.2
112.89610	7.7
119.01930	15.0
136.94029	100.0
145.03470	14.0
155.01881	9.7
170.08044	8.9
177.07751	11.2
213.02376	12.8
234.89919	10.4
247.00865	7.3
258.91650	19.3
290.98010	28.7
315.13040	9.7
333.01999	15.0
333.06772	6.7
333.09558	90.1
359.24670	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	333.0607
Annotation	Nidifocene
Peak:m/z	Relative Intensity
50.04567	0.2
54.14628	0.2
55.05508	0.2
65.56755	0.2
68.99788	0.4
69.42636	1.1
69.43050	0.5
71.04996	0.2
76.57195	0.2
81.03441	0.2
84.02077	0.4
85.24353	0.2
86.86472	0.2
98.98452	0.5
110.03650	0.6
112.01593	0.5
121.02894	0.4
122.03649	0.5
123.04443	3.3
124.01573	0.4
127.03863	0.2
132.05701	0.3
135.00845	0.4
135.11638	0.2
137.02356	5.8
137.03410	0.6
139.00197	0.3
147.04424	0.3
149.02332	0.3
150.03157	0.7
152.01100	1.3
153.01840	1.0
160.05203	0.7
168.00594	1.6
168.99991	0.3
169.01340	3.1
171.04312	0.3
174.03177	0.4
183.02846	0.3
186.01630	0.4
187.03870	0.3
188.04659	0.8
191.03380	0.3
199.03885	0.3
215.03365	0.6
216.04202	2.7
217.04906	0.2
227.03406	0.5
233.04327	0.6
234.05132	0.3
243.02927	0.6
244.03685	7.2
245.04480	3.2
255.02924	0.4
261.03918	2.2
272.03162	2.3
273.03955	4.5
287.05432	0.5
289.03421	2.1
290.04221	4.8
299.01984	0.5
300.02679	0.4
301.03418	2.5
315.05051	0.3
317.02942	18.1
318.03726	81.9
319.04019	1.9
333.06067	100.0
334.06467	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	333.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01851	1.0
55.05499	1.8
67.05506	2.2
68.99451	1.2
68.99795	16.8
69.03418	1.7
70.46220	2.1
79.05479	3.1
81.03410	1.9
81.07047	3.6
83.04955	1.2
83.30814	1.0
91.05467	4.0
93.07056	2.4
94.04159	1.8
94.59290	1.1
95.04968	1.6
95.08621	1.8
97.06522	1.1
98.98477	10.5
103.05466	1.6
105.07029	2.9
107.08569	2.8
109.06525	8.9
115.05376	1.1
119.08580	2.1
121.02853	3.4
121.06502	1.7
121.10161	1.6
123.04494	1.1
125.06003	1.6
127.64710	1.1
131.08540	2.4
133.06503	9.6
135.04428	100.0
137.05971	2.3
143.08554	2.9
145.06505	18.8
145.10133	2.3
147.04420	1.1
147.11572	1.2
151.07521	1.6
159.03233	1.6
159.04434	17.4
161.05984	6.2
161.09608	1.2
166.72897	1.0
169.10191	1.5
171.11627	1.5
173.05968	1.3
173.09546	1.0
176.98911	1.5
177.05490	24.2
189.05441	1.1
191.07021	10.3
201.05467	11.2
205.47437	1.0
229.04956	8.8
244.03618	1.3
245.04472	19.0
247.06024	3.4
263.05560	12.8
273.03949	56.3
287.05496	2.9
287.20010	1.4
289.14368	2.0
290.03964	1.5
291.05038	27.9
291.08130	1.1
297.18369	1.0
305.06552	1.1
315.09177	1.5
315.13156	1.7
315.19550	1.5
317.03131	1.6
318.03751	10.5
333.06116	27.2
333.14197	1.7
333.20639	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76321	1.2
52.03038	1.1
55.01869	1.8
55.05512	2.9
56.05039	2.6
67.05488	4.2
68.05010	2.4
69.03446	6.0
69.07065	3.2
70.06601	8.7
70.56035	3.7
71.04987	3.9
74.06104	1.5
77.74144	1.2
79.05509	7.6
81.03409	2.9
81.07054	9.0
83.04983	5.6
83.08626	1.9
84.04510	6.1
84.08130	2.1
85.02930	2.2
86.06075	43.3
87.04479	33.3
91.05484	3.0
93.07053	10.7
94.06561	1.8
95.04960	2.4
95.08591	3.9
96.04499	1.5
96.08134	2.5
97.06538	5.3
97.78696	1.2
98.06065	74.5
98.98502	8.0
104.07095	9.9
105.07021	2.9
107.08578	2.7
110.09695	1.3
112.07584	3.8
119.08584	2.2
121.10133	8.9
123.08046	1.3
124.03941	1.4
124.07619	4.1
126.05529	13.0
131.08578	4.6
138.12836	2.2
139.11212	2.5
140.07074	1.8
142.08643	3.4
149.09634	21.1
152.10712	1.7
154.08635	4.4
158.08128	2.4
166.12254	6.5
170.11800	9.1
182.15541	1.7
184.13353	10.9
193.12183	2.8
200.12981	1.2
206.15440	4.3
210.14883	3.1
211.13332	7.2
212.16527	1.6
224.16428	8.7
234.14841	4.7
250.14365	4.7
252.15981	35.7
268.15408	3.0
270.17014	5.8
278.17401	1.8
288.18073	100.0
296.18472	2.1
314.19632	63.5
332.20718	21.9
332.24500	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.1
55.05499	4.5
56.05014	3.5
57.49081	1.3
57.89476	1.3
58.06559	1.3
62.70143	1.4
67.05494	6.2
67.54128	1.3
68.05019	3.1
69.03423	6.8
69.07066	3.4
70.06579	5.8
70.06916	1.3
71.05000	4.0
79.05491	10.2
80.05022	2.5
81.03401	4.7
81.07061	11.2
83.04975	4.8
83.08601	2.4
84.04502	8.5
84.08140	2.2
85.02922	1.8
86.06071	29.4
86.09692	2.1
87.04471	28.3
91.05480	5.1
93.07052	8.4
94.06544	1.6
95.04951	2.8
95.08594	4.3
96.08115	4.1
97.06532	6.0
97.10152	2.2
98.06058	29.0
98.98459	8.9
102.05545	2.0
104.07102	16.2
105.07026	5.1
107.08588	5.3
112.07597	7.2
119.04926	1.9
119.08564	2.4
121.06444	2.3
121.10135	5.1
124.07587	14.5
126.05527	3.1
131.08589	3.1
133.10141	1.8
135.08005	1.4
137.05963	3.3
138.06296	2.7
140.07063	1.7
141.39845	1.3
142.08636	4.1
143.58742	1.4
147.11673	1.6
148.07590	1.7
149.09625	14.5
150.03726	1.7
151.07581	3.1
152.07895	4.2
157.10130	2.1
158.08131	3.5
165.12671	2.0
166.12274	4.5
173.12843	1.8
175.00340	1.4
175.11208	2.2
177.68777	1.3
184.13319	4.4
187.70343	1.4
190.09444	2.0
193.12248	3.7
206.15437	1.7
210.14905	4.7
210.47066	1.6
211.13278	10.9
224.07729	1.9
224.16428	2.3
250.14316	2.9
252.15887	14.3
256.10605	2.1
260.16370	1.7
270.16953	7.6
273.06134	1.7
278.17404	4.5
286.11362	2.0
288.13147	2.6
288.18030	33.7
296.18591	3.3
314.19611	100.0
332.07761	3.4
332.20538	7.6
332.24304	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	332.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50450	1.1
55.05514	6.8
56.05028	2.8
67.05511	7.7
68.05035	1.4
69.03421	4.9
69.07067	4.4
69.73670	3.0
69.74080	5.8
70.06598	3.8
71.04982	2.0
79.05507	8.4
80.05031	1.8
81.03427	7.7
81.07063	12.3
83.04982	7.4
83.08625	2.8
84.04483	4.7
84.08143	1.7
85.02905	3.1
85.06550	1.6
86.05591	1.9
86.06078	30.4
86.09715	3.4
87.04475	28.4
91.05487	5.1
93.07037	8.2
95.04968	2.2
95.08591	6.2
96.08136	4.6
97.06537	4.1
97.10161	1.8
98.06062	21.9
98.98481	4.7
102.05511	2.1
104.07113	16.1
105.07034	3.7
107.08572	3.6
109.10189	1.5
111.08072	1.8
112.07594	9.0
114.05534	2.2
115.68633	1.3
119.08566	3.5
121.10144	6.3
123.08097	1.3
124.07605	18.9
125.09608	2.1
126.05514	2.5
129.06960	2.4
131.08565	4.0
133.10110	2.8
135.11705	1.8
138.12772	1.6
142.08656	3.5
142.44568	1.2
147.11713	3.2
149.09641	17.0
151.11139	1.1
154.08664	2.0
158.08144	3.4
166.12234	2.9
167.10678	1.6
173.12888	2.6
175.11250	1.5
184.13338	5.4
192.14058	1.3
193.12225	9.0
201.90593	1.4
210.14917	8.0
211.13310	15.3
212.16391	1.8
237.52458	1.4
250.17957	2.4
252.15977	8.6
270.16946	10.4
278.17526	5.6
288.18082	22.6
296.18610	3.9
314.19635	100.0
315.19785	1.6
332.20700	4.4
332.24362	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	331.2844
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05517	13.3
57.03438	8.8
57.07081	100.0
59.66147	2.1
59.93200	2.0
61.56347	2.0
67.05514	25.5
69.07075	19.3
69.31606	3.2
69.32005	17.7
70.06585	2.4
71.08636	71.4
75.04473	4.0
79.95932	1.9
81.07053	36.3
83.08620	28.3
83.99431	2.0
85.10188	39.1
85.82775	2.0
88.07645	3.1
89.06017	2.4
95.08612	59.9
97.10186	16.1
98.38116	2.3
98.98474	78.4
99.11710	3.8
109.10160	29.8
111.11737	2.5
120.62313	2.1
123.11727	14.8
137.13303	3.0
150.19659	2.1
151.14816	2.5
174.99132	3.4
176.98883	5.4
194.09506	2.1
239.23732	18.4
257.24719	6.2
301.03384	6.7
307.19275	2.5
313.27402	54.5
331.08142	7.3
331.33939	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	331.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.4
55.05512	17.0
57.03431	5.9
57.06798	5.1
57.07076	100.0
67.05508	24.1
69.07065	19.6
70.06590	4.9
70.96243	4.5
70.96573	3.0
71.08635	71.1
71.16245	2.0
72.89304	2.4
75.04466	2.3
81.06665	3.1
81.07063	36.2
83.08619	22.9
85.10194	29.4
88.07630	5.6
94.24569	2.3
95.08610	49.0
95.11394	2.4
97.10178	15.6
98.98470	47.4
106.08615	2.8
109.10137	20.5
111.11720	3.2
118.48751	2.1
123.11673	10.6
125.13268	3.8
137.13249	4.0
165.16270	3.4
176.98915	4.7
187.61322	2.5
239.23698	18.1
257.24805	7.2
282.17581	2.8
301.03308	5.7
309.87631	2.4
313.27386	58.7
331.08099	4.0
331.33997	41.6
334.74451	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	332.1341
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
56.96572	1.5
69.03442	1.3
70.11702	1.3
72.98944	0.4
78.38299	0.4
84.08156	0.7
85.02903	1.7
86.09700	0.9
96.08147	1.0
97.02928	0.5
98.21512	0.6
98.97597	1.4
103.98271	0.5
104.10750	17.1
106.06548	0.7
108.08122	10.9
113.46040	0.4
116.98596	0.7
119.01897	0.6
123.06786	0.9
124.07596	6.0
134.06021	43.6
136.07582	1.4
136.94028	1.3
147.84834	0.5
150.05528	2.0
151.05879	0.7
152.07069	100.0
161.02992	0.6
170.08128	84.1
174.04424	1.5
192.05600	0.6
219.02049	0.8
247.74939	0.5
259.99945	1.0
282.53525	0.5
314.12329	3.8
332.07138	2.0
332.13422	8.9
332.61621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56724	1.6
55.05275	1.6
55.05519	21.2
57.03416	2.2
57.07059	7.5
63.78790	1.7
67.05186	2.3
67.05511	30.6
69.03410	2.3
69.07054	5.4
70.06574	6.3
71.06919	2.3
71.08627	3.3
71.11779	3.6
79.05496	6.2
81.07057	13.3
83.04982	25.8
83.08616	2.3
88.07639	10.6
89.07919	2.4
91.05466	7.2
93.07061	12.7
95.04969	3.0
95.08614	55.2
98.98475	100.0
100.98880	2.8
102.09165	3.0
105.07030	14.2
106.08666	4.6
107.08556	8.1
109.06509	9.5
109.10176	8.1
111.04470	2.2
117.07016	1.9
119.04961	2.4
119.08619	12.7
121.06516	5.0
121.10156	6.7
122.07288	5.8
123.08057	4.5
125.05947	1.9
131.08592	3.1
133.06541	3.3
133.10123	9.3
135.08061	3.6
135.11734	1.6
137.09627	64.4
142.07787	2.3
145.10106	4.9
147.08026	2.8
147.11667	12.2
149.09593	3.9
157.10155	3.2
159.11646	2.5
160.08810	2.8
161.09653	1.9
161.13190	1.9
163.11145	2.0
167.10893	1.7
171.11592	1.9
173.13286	3.8
174.99265	2.4
175.11203	11.6
176.98947	7.0
177.80023	1.7
180.25055	1.5
189.12805	2.4
189.16370	5.8
191.14348	9.1
193.15967	2.1
213.16409	2.0
225.80675	1.7
231.17427	17.7
298.04785	2.6
301.03531	10.5
313.33029	5.8
316.05621	4.6
330.33673	1.8
331.08075	13.6
331.22913	8.4
331.34012	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	331.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60795	1.3
53.03942	2.8
55.01871	1.5
55.05507	6.5
59.04990	2.4
67.05508	6.2
69.03432	9.2
69.07073	15.5
70.72322	2.4
71.04992	4.8
79.05491	14.3
80.32810	1.2
81.07056	34.3
83.04982	6.0
85.06535	2.7
87.46910	1.4
89.35108	1.2
91.05486	9.3
93.07043	25.3
95.04979	3.7
95.08630	6.5
95.09135	1.3
97.06528	11.2
98.98473	65.9
100.98888	1.8
105.07032	18.4
107.04971	1.4
107.08599	80.6
108.08941	1.2
109.06526	29.2
109.07268	1.8
109.10139	3.3
111.08073	2.3
111.11713	2.7
115.03946	1.9
117.07044	3.1
119.04993	2.0
119.08585	4.4
121.06506	2.0
121.10156	17.8
123.08094	7.8
129.07028	2.0
130.07750	1.7
131.08553	1.4
133.04962	2.8
135.04419	1.9
135.11702	36.0
137.05959	1.6
137.09625	3.3
139.11192	16.0
143.08572	2.0
145.10129	17.5
153.12785	7.3
157.10107	4.3
160.74817	1.1
163.11183	65.4
167.08545	2.0
171.11682	4.2
176.98947	4.2
179.03406	1.5
181.12242	100.0
185.09741	1.5
199.11514	1.4
199.13272	16.6
253.40646	1.2
276.92426	1.3
295.13306	1.7
301.03549	2.1
313.14093	2.7
316.05829	1.9
331.04398	3.8
331.08206	5.8
331.11688	3.2
331.15433	3.4
331.19019	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	331.1542
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
53.02775	1.2
53.03953	1.8
55.01865	3.2
55.05500	4.2
57.03440	1.7
65.03931	2.1
65.99950	1.1
67.05518	3.1
69.03421	8.3
69.07057	2.5
69.92107	6.5
71.04984	3.6
79.05486	4.3
81.03407	5.0
81.07038	5.8
83.04972	2.6
83.08611	3.1
85.02898	3.9
87.00828	2.3
91.05487	36.6
93.07062	4.5
94.04187	4.6
95.04980	8.1
95.08590	4.1
97.02909	3.2
97.06531	1.3
98.98476	25.6
99.04428	2.2
103.05473	6.2
105.07024	5.9
107.04972	8.8
109.02892	3.1
109.06520	5.5
109.10184	2.1
111.08069	4.7
113.09641	3.0
115.05460	3.1
117.06988	4.3
119.04950	19.2
121.06511	8.7
122.03643	8.8
123.04436	3.1
123.08090	3.1
127.03906	3.5
128.06189	7.0
129.07016	14.8
131.04895	4.1
131.05853	1.4
131.08539	2.8
133.06494	3.0
135.04445	1.3
135.08057	8.1
136.05188	4.8
137.05986	86.1
139.07527	3.2
141.09094	3.4
143.04948	1.4
145.06526	3.1
145.10072	1.5
146.03673	1.5
147.04430	3.2
149.06001	12.6
150.06775	1.5
151.03934	2.5
151.07555	100.0
152.06223	3.4
153.09047	1.8
154.00272	1.2
155.05966	1.6
156.05803	1.6
157.06482	16.3
159.08188	2.2
161.05971	14.0
161.09615	5.0
163.03993	2.4
163.07558	23.7
165.07002	12.8
165.09093	6.3
166.07765	4.2
167.08563	18.9
174.06804	6.4
175.07552	5.6
177.06993	3.1
177.09081	3.5
178.07773	7.5
181.06485	5.7
181.10092	1.9
182.07301	5.6
189.07425	2.4
189.09114	33.9
191.10672	2.9
192.09262	1.8
193.06509	5.4
193.08653	1.5
193.10075	7.3
194.07291	3.0
195.08064	26.5
196.08876	3.2
197.05975	6.3
197.09674	2.2
198.36945	1.2
199.11382	1.4
203.08580	1.6
205.06561	2.7
206.07294	2.1
207.08182	2.1
207.10178	4.8
209.06006	3.4
209.09624	5.2
209.11723	4.6
210.06784	8.9
211.07594	3.3
212.08305	8.0
213.09372	1.5
220.08861	3.4
221.06071	10.2
221.09616	14.2
223.07549	12.5
224.08252	3.5
225.05396	2.2
225.09105	14.7
226.06020	1.3
227.07120	2.6
227.10674	30.0
231.08026	1.4
234.06693	1.6
235.07645	2.1
237.05424	1.9
237.09096	4.5
238.06210	6.2
239.07146	2.4
239.10512	1.7
240.07857	4.7
241.08612	1.9
241.12297	3.2
249.09143	7.2
252.07860	2.5
253.08614	19.1
253.12285	18.1
255.10150	32.7
267.10178	6.6
269.08090	4.9
269.11450	1.7
272.10455	2.3
281.11804	6.6
284.10284	2.9
285.11252	21.9
287.12799	44.1
295.11737	3.5
298.11780	1.5
301.14285	3.3
313.08377	2.3
313.14374	15.7
331.15414	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	331.1541
Annotation	(-)-Thannilignan
Peak:m/z	Relative Intensity
53.03938	3.9
53.57515	1.7
54.85286	1.8
55.01871	3.3
55.05489	2.4
57.34800	1.8
58.70940	1.9
64.70905	1.9
65.03945	2.3
67.05502	2.5
69.07043	1.8
71.11987	4.3
76.09753	1.6
76.34497	1.9
79.05473	7.8
81.03423	17.2
81.07034	5.2
83.04976	2.1
91.05484	37.7
93.07050	4.4
94.04185	2.7
95.04958	7.1
95.08617	2.4
97.02898	9.6
97.06520	4.3
98.98473	97.2
100.98904	2.4
103.05466	9.2
105.07017	6.4
107.04967	10.9
107.08569	3.0
109.02859	4.9
109.06496	7.6
109.10186	3.0
111.08015	2.0
115.05452	3.1
116.99508	2.1
117.07018	3.0
119.04947	20.6
121.06507	6.5
121.10145	6.1
122.03638	5.4
125.14812	1.9
127.03950	3.0
128.06206	6.9
129.07019	20.5
131.04909	6.8
131.08585	2.8
133.06516	3.9
135.08008	7.0
135.11670	2.6
136.05211	3.2
137.02356	2.3
137.05988	90.5
145.10104	3.2
146.03609	3.3
147.04372	3.9
147.08058	3.1
147.09132	6.1
148.05237	2.2
148.34338	1.9
149.05994	17.5
151.03928	5.2
151.07550	100.0
152.06160	3.7
157.06512	13.3
161.05995	18.4
161.09592	4.6
163.07556	23.7
163.11244	2.6
165.06938	13.8
165.09103	3.2
166.07782	4.1
167.08565	20.2
169.06491	3.5
174.06779	7.3
174.99193	3.8
175.07430	4.5
175.08705	4.7
176.98917	4.1
177.06996	2.6
177.09068	4.0
178.07747	5.7
179.08498	2.1
181.06461	6.9
181.08676	2.0
181.10204	2.0
181.12190	4.7
182.07227	3.9
189.09120	35.6
191.08434	2.9
192.09334	3.3
193.06470	6.9
193.10136	9.3
194.07246	4.2
195.08076	27.0
196.08559	2.6
197.05928	8.3
197.99173	1.9
202.07756	3.3
207.08217	2.8
207.10194	7.6
209.05942	3.8
209.09601	4.7
210.06770	13.2
211.07523	6.4
212.08318	6.6
215.11826	3.1
220.08739	2.1
221.06013	12.0
221.09584	12.1
223.07565	15.3
224.08351	5.8
225.05418	1.8
225.09108	11.2
225.94611	2.2
227.07071	3.8
227.10664	31.2
238.06265	4.9
239.10657	2.4
240.07907	3.6
241.08607	2.3
243.11259	7.7
249.09093	6.4
253.08630	21.8
253.12218	21.7
255.06360	2.9
255.07300	2.4
255.10194	32.0
267.10107	8.1
269.08072	5.7
271.10641	6.2
272.10477	5.3
281.11658	5.3
284.10410	3.5
285.11172	22.3
287.12769	41.1
288.02341	2.6
301.14435	2.3
303.05048	3.4
303.13431	6.2
313.08331	3.8
313.11310	3.6
313.14682	8.9
316.01978	2.5
331.04333	6.8
331.08896	3.0
331.12326	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	331.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.0
67.05492	2.2
67.14040	1.9
68.34924	2.1
71.05723	2.2
71.06033	2.5
79.05472	7.9
81.07047	4.4
83.10050	1.9
85.02882	2.1
90.84093	1.9
91.05495	34.7
93.07037	7.7
94.04181	4.4
95.04971	6.7
98.97876	2.7
98.98478	44.0
98.99119	2.4
101.03217	1.9
103.05471	5.3
105.07034	5.3
107.04958	7.3
107.08591	4.7
109.06530	5.8
111.04497	1.8
111.31049	1.7
115.05429	4.2
117.03392	2.5
117.07016	4.4
119.04955	21.2
120.97198	1.7
121.06509	7.8
121.10144	3.7
122.03642	11.2
122.05942	1.9
125.09618	5.1
128.06219	5.3
129.07005	19.8
131.04938	5.8
132.05719	91.8
133.06456	3.7
135.04413	2.8
135.08026	7.9
136.05164	5.3
137.05991	85.7
143.04892	2.0
145.06451	4.1
146.03596	3.0
147.07993	2.1
149.05952	13.7
151.07555	100.0
152.06229	4.2
153.09116	12.7
154.72057	1.9
157.02876	4.1
157.06512	13.4
159.04451	6.1
161.06007	18.5
161.09602	3.8
163.03908	5.1
163.07562	22.9
165.07048	15.3
165.09152	4.1
166.07729	4.1
167.08578	18.0
172.05188	15.3
174.06786	7.5
174.99232	2.4
175.07558	7.4
176.98929	3.4
177.09105	4.3
178.07790	7.0
181.06427	5.9
181.08569	4.9
181.12170	2.3
182.07231	4.7
189.09148	33.2
192.09288	3.0
193.06499	8.6
193.10144	9.1
194.07330	2.8
195.08073	25.9
196.08815	2.7
197.05980	7.9
199.11586	2.0
200.04689	9.5
203.08643	4.2
205.06396	2.2
207.04475	2.0
207.10139	7.2
209.05939	3.4
209.09738	2.1
210.06816	10.1
211.07555	4.0
212.08339	5.7
215.07074	6.4
217.12695	4.3
219.07913	2.4
221.05977	11.4
221.09531	11.6
223.07565	11.8
224.08319	3.5
225.05362	2.3
225.09082	10.3
226.09859	1.9
227.07111	2.8
227.10672	28.4
228.04210	24.7
238.06247	7.1
238.09746	2.3
239.10745	2.0
240.07909	4.2
241.12120	3.2
243.06482	4.8
249.09149	4.7
252.07628	2.2
253.08635	16.9
253.12321	16.2
254.09213	2.2
255.06323	2.4
255.10220	30.4
256.03674	4.3
267.10049	4.7
269.08069	4.7
269.11548	2.2
270.08774	2.2
272.10471	3.5
274.04721	15.9
281.11685	6.4
284.03107	9.3
285.11160	19.8
287.12799	44.3
299.05539	3.5
302.04208	38.8
313.14301	15.6
316.05844	12.3
317.06546	13.2
331.08148	38.4
331.15231	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	331.0812
Annotation	3,5,7-Trihydroxy-6,8-dimethoxyflavone
Peak:m/z	Relative Intensity
50.10672	0.5
59.02504	0.5
69.63797	1.6
69.64208	2.1
99.00837	0.5
100.84048	0.5
118.04216	1.0
119.04957	6.1
121.02877	4.3
127.09618	0.5
152.01009	0.6
154.99771	7.4
180.00549	1.5
182.99260	16.1
198.01663	2.6
201.00301	5.9
213.05540	1.4
214.06210	4.0
269.04480	0.8
270.05200	2.2
273.03949	8.9
298.04730	19.4
301.03452	81.1
302.03653	1.0
310.62674	0.6
316.05795	13.4
331.08139	100.0
332.08502	1.6
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
58.87473	2.4
63.18687	2.1
65.03969	2.7
70.80928	3.7
70.81236	3.0
77.19389	2.1
77.85333	1.8
79.05494	3.4
83.04975	2.6
83.53204	1.9
84.16045	2.1
91.05482	33.0
94.04179	4.3
95.04958	4.1
98.98471	24.6
103.05447	4.3
105.07034	5.4
105.87679	2.5
107.04955	8.5
109.06524	6.3
111.04448	2.5
119.04946	19.7
119.68233	2.4
121.06508	7.1
122.03653	10.9
128.06259	3.5
129.06990	18.9
131.04950	6.1
133.06480	3.4
135.08041	8.6
136.05214	4.1
137.05983	82.8
143.04944	3.3
145.06511	4.6
149.05984	16.9
149.75546	2.5
151.03947	2.7
151.07553	100.0
152.06181	3.8
153.07016	2.8
157.06523	12.2
161.06004	16.4
161.09645	4.4
162.05502	4.7
163.07558	26.3
165.06993	15.4
165.09120	5.1
166.07774	2.2
167.08585	20.3
169.06544	3.3
174.06810	8.7
175.07599	6.4
177.09111	4.0
178.07823	9.4
181.06401	5.1
182.07225	3.5
189.09134	38.8
192.09381	3.0
193.06506	6.1
193.10164	9.0
194.07188	2.6
195.08078	26.9
197.06000	6.4
207.10222	6.5
210.06766	13.2
211.07602	4.1
212.08403	3.2
219.08176	2.9
221.06062	7.4
221.09567	12.4
223.07471	11.0
224.08301	5.2
225.09171	7.9
227.10637	31.9
237.09106	4.1
238.06239	7.9
249.09227	6.7
253.08609	16.1
253.12207	17.8
255.10159	33.1
267.10056	5.6
269.08057	5.2
269.11655	4.5
272.10461	4.4
272.25186	2.3
281.11697	9.0
285.11267	23.1
286.65030	2.6
287.12799	49.5
313.14539	15.2
331.15469	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	331.0811
Annotation	3,5,7-Trihydroxy-6,8-dimethoxyflavone
Peak:m/z	Relative Intensity
52.70198	0.2
57.66106	0.2
65.30540	0.2
67.05487	0.5
68.99805	0.5
69.03435	0.4
70.42390	0.5
70.42775	0.5
71.01366	0.4
79.05489	0.5
81.07046	0.7
83.04974	0.3
85.17062	0.3
91.05463	0.8
91.08410	0.2
93.07030	0.5
95.04954	0.2
95.08582	0.5
97.06508	0.4
98.98478	11.0
99.00804	0.8
100.98873	0.3
105.07030	0.3
107.04949	0.5
107.08576	1.0
109.06527	0.6
118.04169	1.2
119.04102	0.4
119.04949	6.7
121.02879	4.5
121.06487	0.3
121.10164	0.5
123.08082	0.4
124.01614	0.3
135.11682	0.7
136.70381	0.3
137.05971	0.6
137.25127	0.2
145.02853	1.0
145.10141	0.5
147.04434	0.6
147.08055	0.3
151.07552	0.4
152.01012	0.4
154.99768	7.5
157.06447	0.4
161.05991	0.5
163.03923	0.7
163.11166	0.8
167.07031	0.4
168.00514	1.1
169.01331	0.3
169.06476	0.2
169.08615	1.0
171.04390	0.5
171.11696	0.7
174.99219	0.4
176.98965	0.7
180.00545	2.1
181.12222	0.9
182.99268	14.4
185.06012	0.4
186.06799	0.6
197.06023	0.7
198.01596	2.3
199.03864	0.6
201.00311	7.6
213.03885	0.7
213.05627	2.2
214.06256	3.7
217.05002	0.3
218.43712	0.3
227.03529	0.3
227.12730	0.3
241.04901	0.4
242.05722	1.0
245.04399	0.8
269.04538	0.7
270.05258	2.0
273.03967	11.4
286.04660	0.4
298.04742	22.1
299.05136	0.4
301.03445	83.3
302.03705	1.4
313.07245	0.3
315.05002	0.3
316.05783	20.3
317.06323	0.3
331.08136	100.0
332.08444	2.1
342.65524	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	331.0807
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
55.05492	1.3
55.93522	0.4
67.05488	1.2
68.99770	0.7
69.03395	0.5
70.06579	0.4
71.50162	0.7
76.33636	0.4
79.05489	0.7
81.07024	1.0
83.04955	0.6
83.08588	1.4
91.05474	0.8
93.07028	0.9
95.04955	0.4
95.08584	0.4
97.06483	1.0
98.98474	25.6
99.00798	1.1
100.11237	0.7
100.98853	0.8
105.07027	1.1
107.08578	1.2
109.06439	0.5
109.10147	0.4
112.01598	1.7
112.43232	0.4
115.05491	0.3
116.01642	0.6
119.04953	0.9
119.08577	0.5
121.02776	0.4
121.06473	0.6
121.10159	0.5
123.04414	0.7
127.00258	1.0
127.03894	0.5
131.04893	0.5
131.08546	0.6
135.08051	0.9
137.05986	1.1
140.01054	1.2
141.11485	0.5
143.08571	0.5
145.02820	0.5
145.06425	0.4
148.05202	1.2
149.05981	1.5
151.03915	2.7
154.99765	1.0
159.04555	0.4
159.08064	0.7
159.12009	0.3
161.05963	0.6
161.09624	0.5
163.07555	0.9
165.07004	0.4
168.00554	12.3
169.01283	1.5
169.10217	0.3
171.57677	0.3
174.99191	0.9
176.98949	1.8
177.09068	0.4
181.12199	0.4
182.99290	2.0
186.01607	3.9
187.07607	0.5
190.06245	0.4
195.08130	0.4
199.03964	0.6
201.00339	0.9
213.05511	0.4
214.06105	0.8
217.05014	0.4
220.98999	0.4
227.03575	0.4
236.98373	0.4
245.04469	8.9
251.43265	0.3
252.00793	0.5
252.99640	0.4
254.04614	0.9
265.98688	2.1
270.01901	0.6
270.05191	0.5
271.09616	0.5
272.05783	0.5
273.03964	12.5
275.02460	3.2
285.07452	0.4
285.18500	0.6
287.05402	0.4
288.06375	1.2
293.03363	1.7
298.04788	3.0
301.03448	22.4
302.03925	0.4
313.18033	0.8
315.04822	0.7
316.05798	80.5
317.06079	1.3
331.08142	100.0
331.18469	1.8
332.08551	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59216	2.3
55.05502	12.0
57.03436	4.6
57.07071	7.3
62.15841	2.5
67.05508	18.9
69.07077	19.6
69.36282	16.9
69.36697	6.0
70.06577	4.5
71.04980	3.2
71.08628	6.0
73.55402	2.4
74.06098	4.0
79.05498	16.2
81.07063	25.3
83.04992	3.5
83.08616	4.5
85.10184	4.7
87.04449	3.7
88.07622	5.6
91.05453	8.6
92.05779	3.1
93.07046	18.5
95.08610	26.1
96.08951	3.9
97.10143	4.4
98.98473	100.0
99.08099	5.8
105.07018	12.0
106.07310	3.6
106.08680	4.2
107.08586	10.6
108.08952	3.3
109.10152	9.5
113.09651	9.7
117.07023	3.0
119.08582	7.5
120.08861	4.1
121.10189	17.2
123.11701	3.9
129.63792	2.7
131.08575	8.1
133.10066	4.2
135.11690	7.6
139.11153	5.8
143.08592	3.3
145.10138	7.0
147.11687	7.7
149.09637	7.5
151.11211	2.7
159.11682	5.8
160.12019	4.4
163.11194	2.6
165.12785	3.1
171.11699	3.1
173.13272	3.2
174.13548	3.0
174.99278	4.7
175.99541	3.2
176.98904	5.6
185.13254	2.4
200.15236	3.9
204.11086	3.1
213.16435	2.8
214.16920	3.4
223.99837	3.0
229.12144	3.1
230.12614	3.1
270.23019	25.5
277.21719	6.8
286.18750	4.2
295.22736	4.1
295.76123	2.7
301.03311	4.8
328.03748	3.3
330.21637	4.7
330.25381	7.3
330.30188	4.8
330.33493	13.1
331.08148	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	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.0
57.07066	3.5
67.05509	11.8
69.07063	3.9
70.06593	2.7
70.54336	5.6
71.04997	4.2
71.08620	4.1
74.06083	9.7
75.05531	1.7
79.05479	6.4
81.07059	11.5
82.02007	1.8
83.04997	3.0
83.08636	4.2
84.04492	4.1
84.22543	1.5
85.06538	1.7
87.04469	5.4
88.07653	2.5
91.05476	4.6
93.07051	8.7
95.08584	5.1
97.06525	1.9
97.10163	3.4
98.20887	1.9
98.98473	100.0
99.08094	2.1
100.11260	3.5
101.05987	2.0
105.07030	5.7
107.08621	4.0
109.10180	2.6
109.75123	1.7
110.78349	1.6
119.08597	3.9
120.06593	6.9
121.10126	3.1
125.09638	3.3
127.11206	6.7
128.11508	4.9
130.05008	4.4
131.08601	3.1
133.10112	3.1
135.11681	3.6
139.11162	2.2
145.10178	2.7
148.06064	3.6
151.11195	1.8
157.10103	1.6
159.11719	3.0
161.13335	3.0
173.11726	2.9
174.99173	4.0
175.99551	2.5
176.98927	4.0
177.99707	1.7
189.11255	3.3
198.13603	3.7
203.10533	2.2
204.11069	1.7
230.12535	4.5
274.15042	3.0
277.21686	6.0
286.18924	4.5
288.16794	2.8
301.03473	4.9
312.20358	2.8
330.21475	11.1
330.30014	9.5
330.33701	8.2
331.08066	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	330.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.4
55.05506	3.6
56.30883	1.6
56.89271	1.8
62.06090	3.2
67.97121	1.6
69.07074	16.9
69.56920	2.0
69.95525	5.8
69.95930	2.4
70.02960	2.0
70.06573	4.6
72.08130	3.6
73.02898	4.9
73.06547	3.2
79.05506	1.9
81.05798	1.9
81.07043	7.7
86.06071	48.7
91.05468	3.4
93.07016	2.8
95.08559	2.0
96.08138	4.2
97.06540	3.6
98.09686	7.0
98.21469	2.3
98.98470	32.2
99.04434	3.4
100.07590	1.9
101.02404	12.2
107.08578	1.8
108.08136	2.3
109.06542	10.8
111.08092	11.7
114.09155	2.3
116.10736	27.5
134.09633	4.7
137.05957	6.7
138.09100	2.4
138.19609	1.9
139.11165	1.6
141.09056	2.7
142.08659	3.3
145.04996	2.0
151.07484	1.8
152.10692	3.4
159.37004	2.1
170.11807	12.2
174.99263	2.4
180.10124	5.8
198.11266	88.4
216.12329	100.0
260.97018	1.7
294.28607	2.1
301.61993	1.8
312.17966	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	330.1912
Annotation	Gabapentin enacarbil
Peak:m/z	Relative Intensity
55.01873	4.1
55.05513	2.2
60.04532	1.3
62.06086	7.5
69.07074	36.2
70.02965	2.0
70.06589	1.5
70.78508	2.4
72.08143	3.6
73.02925	5.4
73.06548	2.9
79.05494	2.0
81.07056	6.5
84.08194	1.0
86.06071	39.4
88.03994	1.7
91.05479	3.0
93.07027	2.2
95.08578	1.1
96.08127	4.2
97.06565	4.7
98.06112	1.2
98.09704	5.4
98.98466	13.9
99.04452	3.2
100.07584	1.5
101.02385	10.6
105.07040	2.7
107.08643	1.2
108.08113	1.8
109.06519	13.8
111.08071	6.5
114.09126	1.2
114.77582	1.0
115.07581	1.6
116.10741	20.9
121.08865	1.3
124.11257	1.6
126.05533	2.7
133.10133	4.2
134.09660	3.5
137.05988	8.2
138.09163	1.5
140.10744	1.3
141.09122	3.4
142.08633	3.7
144.06548	2.1
149.05907	1.2
151.07565	3.0
152.10722	3.7
154.08723	1.0
155.07037	1.4
158.11797	4.2
161.06009	1.2
169.12292	1.5
170.11768	10.7
175.31339	1.0
180.10217	3.7
182.08081	1.2
198.11264	88.1
199.11552	1.0
212.16490	2.2
216.12326	100.0
243.11134	1.3
256.46344	1.0
281.47684	1.0
294.16687	1.3
312.18079	15.4
330.19229	5.0
336.86331	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19840	1.2
55.01876	6.2
55.05505	4.4
56.05045	2.7
56.69886	1.1
62.06092	5.7
67.05495	3.0
68.24883	1.0
69.03421	3.3
69.07071	33.3
70.02921	1.3
70.06597	2.2
71.50045	1.7
72.08160	14.0
73.02911	4.5
73.06550	3.5
74.06077	3.2
79.05493	3.5
81.03424	2.6
81.07072	7.3
83.04957	2.1
83.08622	1.6
84.04488	1.8
85.02902	2.0
86.06077	40.1
86.09701	4.7
91.05479	5.9
93.07031	2.8
95.04989	1.2
95.08611	2.1
96.08132	4.2
97.06532	3.5
98.06044	2.3
98.09693	3.7
98.98471	27.3
98.99127	1.3
99.04460	3.4
100.07585	2.0
101.02367	9.1
102.05545	3.3
105.07043	1.7
107.04950	2.3
107.08567	2.5
108.08135	2.7
109.06508	11.6
111.08079	9.8
115.07580	2.5
116.10738	18.8
118.70186	1.1
119.04898	1.4
119.08560	1.3
120.06578	3.8
121.08908	1.5
124.11179	1.2
126.05517	3.4
129.07057	1.7
134.09636	5.0
137.05974	12.1
138.09238	1.3
141.09102	2.8
142.08638	3.4
144.06523	2.3
145.04962	1.5
149.06001	1.3
151.07533	5.2
152.10692	4.0
158.11775	3.0
163.07541	2.2
167.08623	1.5
169.12260	1.8
170.11772	8.2
171.14975	2.8
180.10162	3.7
185.16605	1.8
189.09126	2.9
193.12167	1.5
195.07988	1.3
198.11267	87.9
199.14412	2.0
206.89882	1.2
211.13313	4.9
212.16502	2.8
216.12325	100.0
222.14822	2.5
240.15962	3.6
255.10135	1.4
285.11258	1.4
286.16498	3.8
287.12784	4.5
312.18100	19.1
330.19141	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	329.2112
Annotation	Salvibracteone
Peak:m/z	Relative Intensity
50.52772	1.5
51.65992	1.8
52.71321	1.5
55.05502	2.8
57.03440	15.5
57.07062	1.8
59.26844	1.6
60.04737	1.7
67.05506	19.8
69.07066	5.0
70.05747	6.4
71.05003	2.0
71.08606	1.9
79.05474	1.9
81.07042	5.1
82.62653	1.5
91.05490	3.2
93.07028	2.8
95.08575	2.7
97.06552	2.9
98.98471	54.7
105.07032	5.3
107.08569	4.1
109.10170	20.2
109.29608	1.6
112.56714	1.3
117.06992	2.3
119.08609	4.1
121.06502	4.0
127.11166	3.4
129.07031	3.0
131.08562	5.1
133.06509	3.7
135.07957	2.3
142.07797	1.9
143.08560	2.7
145.06532	1.9
145.10135	5.6
147.08080	8.0
149.05933	2.2
155.08498	2.6
157.06566	1.7
157.10170	2.7
158.07318	2.2
159.08107	12.0
159.11671	3.0
160.08844	3.7
161.09598	2.8
163.07544	2.2
169.10136	2.9
171.08089	2.9
172.08859	4.9
173.09644	21.6
173.13251	1.4
174.06813	2.4
174.99203	4.6
175.07550	5.9
175.11189	5.7
176.08293	2.0
176.98868	1.7
177.09111	4.4
183.11661	1.8
185.09605	3.0
186.10454	3.0
187.07565	3.9
187.11172	10.4
188.08662	1.5
189.09122	25.6
195.78928	1.7
196.08890	1.6
197.09737	1.7
197.13319	4.5
199.07640	2.9
199.11125	2.1
200.08356	3.6
201.09135	5.5
201.12753	20.8
203.10684	76.8
206.41702	1.4
211.11230	2.3
213.09119	3.5
213.12775	2.7
214.09871	5.2
215.10670	10.7
215.14314	5.7
216.99844	1.5
217.12302	5.4
225.12685	8.7
227.10692	3.8
227.14308	3.8
228.11432	4.5
229.12248	92.7
230.62038	1.6
231.13779	2.1
232.14667	1.7
233.11754	4.2
238.13531	1.9
241.19597	1.5
242.13049	3.9
243.13828	31.8
247.13330	38.8
249.83028	1.5
255.13876	2.4
259.13306	2.7
267.17438	3.9
271.16956	1.7
273.14862	46.9
273.17807	2.5
285.18500	100.0
287.16525	5.5
311.20090	2.9
329.21124	93.4
330.21442	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.01871	0.6
55.05502	2.1
57.07074	0.8
65.03929	0.6
67.05510	4.1
69.03429	0.9
69.07068	1.7
70.68146	1.0
70.68480	0.7
71.04991	5.5
79.05492	2.7
80.68652	0.5
81.07066	2.6
83.04960	1.3
83.08617	1.4
85.02942	0.4
89.83632	0.5
91.05492	1.9
93.07048	1.8
95.08631	2.4
97.06547	0.8
97.10197	0.9
98.98473	100.0
99.08101	0.7
100.98920	0.9
103.05468	0.7
105.07046	3.2
107.04932	0.5
107.08612	2.8
109.10148	4.9
115.05485	0.8
116.99538	1.2
117.07052	0.6
119.04919	1.1
119.08593	1.9
121.06541	0.9
123.08070	0.8
125.09640	4.6
127.11201	10.0
129.07013	1.4
131.08566	1.2
133.06505	11.6
133.07542	0.6
133.10175	1.5
140.01086	0.6
141.07094	0.8
142.07759	0.7
143.08603	0.8
145.10126	1.7
147.08067	2.3
149.09691	0.7
153.07033	0.6
155.08537	1.0
156.09335	0.6
157.10149	1.9
158.07253	0.8
159.07999	1.1
159.11726	1.0
161.05975	1.3
167.08592	1.0
169.10117	1.1
171.08060	1.3
173.05991	0.9
173.09659	1.3
174.06789	1.7
174.99226	6.5
175.07582	2.8
175.11140	1.0
176.98921	3.2
179.08545	0.6
182.10977	1.1
183.11711	0.9
185.09625	1.5
186.10435	1.5
187.07587	2.0
187.11208	1.4
188.08366	0.8
189.09189	1.4
194.11026	0.5
195.08049	1.1
195.11824	0.8
196.08972	0.7
197.09691	1.4
197.13333	1.7
199.07585	1.0
199.11208	1.7
199.14850	0.7
200.08269	0.7
201.09076	2.6
201.12820	0.7
203.10646	4.0
203.49458	0.5
209.13232	0.9
210.10431	1.0
211.11214	1.1
213.09192	1.2
213.12759	1.3
215.10753	1.4
215.14262	0.7
219.10275	0.9
221.13324	0.8
223.11127	0.6
223.14813	0.8
224.11905	0.5
225.09329	0.8
225.12732	3.9
227.14410	1.0
229.12248	2.7
231.13853	1.0
237.12814	1.5
239.14334	1.9
241.15935	1.8
243.13756	4.1
247.13339	0.7
251.14531	0.9
252.99699	1.3
255.13849	2.1
257.15576	0.7
273.14844	1.3
283.20581	0.9
285.18445	0.6
293.19043	1.9
311.08633	0.6
311.20123	6.1
329.21057	9.0
330.33798	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2111
Annotation	Salvibracteone
Peak:m/z	Relative Intensity
51.48868	1.3
55.05504	3.7
57.03418	4.1
57.07066	2.3
67.05517	8.9
69.03408	1.3
69.07051	2.5
70.56416	3.5
71.04996	8.6
79.05484	2.6
81.07036	3.3
83.06055	1.2
83.08624	1.3
98.98466	9.1
105.06993	1.8
109.10143	7.0
119.08553	2.5
121.06516	1.6
127.11192	14.2
129.06993	1.4
131.08525	3.3
133.10089	1.8
141.87035	1.4
143.08559	1.6
145.06458	1.9
145.10120	4.3
147.08000	4.3
157.10165	2.2
158.07268	2.4
159.08041	13.4
159.11751	1.8
160.08841	3.8
161.05951	2.0
161.09560	2.2
169.10091	1.6
171.08054	3.0
172.08801	5.4
173.09657	19.7
174.06755	1.3
175.07552	4.2
176.08371	1.9
181.10190	1.6
183.11771	2.3
185.09662	3.4
186.10408	4.1
187.07536	3.0
187.11200	8.4
188.08337	3.2
189.09100	23.1
196.08835	1.8
197.13240	1.8
197.83998	1.5
199.07513	3.1
200.08319	3.8
201.09129	5.9
201.12744	19.9
203.10698	22.9
210.21074	1.4
211.11101	2.0
213.09126	4.5
214.09911	6.7
215.10660	13.5
215.14297	5.8
227.10649	6.5
227.14236	2.3
228.11453	4.9
229.12244	100.0
230.12599	1.9
231.13831	1.7
241.12105	3.3
242.13014	4.2
243.13809	34.1
245.15172	1.7
247.13220	2.3
255.13838	1.8
256.14600	2.1
257.11771	3.2
259.13257	3.4
269.15695	1.4
271.13489	1.9
273.14844	68.7
285.18503	67.3
286.18835	1.8
287.16418	15.4
311.20013	1.9
329.21124	85.7
330.21643	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2112
Annotation	Longithorol C
Peak:m/z	Relative Intensity
55.05507	3.7
62.04212	1.7
67.05490	7.2
69.03445	3.6
69.07076	3.8
70.64145	4.2
70.68042	1.8
71.04994	22.3
79.05497	12.4
81.07059	4.2
83.04991	3.8
85.02914	3.7
91.05472	5.2
92.66993	1.9
93.07047	3.6
95.04950	3.3
95.08598	5.5
97.06525	2.2
97.10126	3.1
98.97874	2.6
98.98467	31.6
99.86217	1.6
103.05440	5.6
105.06392	1.8
105.07027	11.4
107.08576	7.8
109.10148	6.6
117.07022	2.5
117.97525	1.7
119.04973	4.8
119.08552	5.9
123.08063	8.4
125.09624	15.8
125.82178	1.9
127.11168	12.6
129.07018	4.8
131.08562	2.6
133.06505	100.0
133.07576	6.5
137.05977	2.1
141.06979	2.2
143.08591	4.7
145.10146	4.0
147.08040	3.6
153.07021	1.9
154.07724	2.6
155.08542	4.5
157.10109	10.9
159.08102	3.9
159.11737	6.7
161.05972	3.5
167.08607	2.8
168.09398	2.7
169.10138	6.9
171.08038	5.0
171.11676	4.1
173.05978	2.2
173.09616	2.7
173.13307	2.5
174.06760	2.3
174.99228	3.3
175.07530	7.8
175.11278	2.6
179.08531	2.5
181.10089	4.3
182.11043	2.6
183.08130	1.9
183.11662	6.9
185.05914	2.2
185.09602	4.2
185.13287	4.1
186.10425	2.9
187.07581	7.3
187.11082	2.2
188.08466	2.2
189.09116	4.5
194.10931	3.9
195.08089	2.2
195.11649	4.1
196.08824	4.2
197.09633	3.5
197.13268	12.6
199.07501	2.7
199.11183	4.1
199.14851	3.9
201.09132	12.1
203.10672	6.4
209.13361	2.1
211.11195	3.2
211.14819	3.3
212.08214	2.5
213.09134	3.5
213.12796	4.7
215.10826	2.6
223.11198	3.0
223.14825	9.1
225.09076	2.6
225.12756	14.2
225.16312	1.9
227.14285	4.1
229.12279	3.0
231.13788	2.9
237.12746	4.5
239.14279	8.4
240.92252	2.0
241.15860	13.2
243.13777	25.4
243.17465	4.4
251.14307	2.1
251.17920	2.7
255.13814	9.8
269.15207	1.8
271.16870	2.2
293.18976	8.1
311.19998	19.7
329.21100	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53603	1.0
53.03950	1.5
55.05505	4.3
57.07063	2.5
59.04993	1.7
65.20393	1.0
67.05519	5.4
69.03423	2.3
69.07066	3.4
70.66551	2.7
70.66877	1.1
71.04613	1.3
71.04994	15.1
79.05495	10.5
81.07066	4.1
83.04986	2.8
83.08610	1.4
85.06571	1.9
91.05484	3.8
91.32148	1.0
93.07043	3.1
94.17430	0.9
95.04989	1.2
95.08660	5.2
97.10182	1.6
98.98476	85.9
99.08075	1.3
103.05496	5.5
105.07040	11.3
107.08600	7.6
109.10161	5.9
117.07009	2.4
119.04950	2.9
119.08575	4.1
120.21744	1.1
121.10114	1.2
123.08073	5.1
125.09650	10.2
127.11221	13.5
128.06267	1.8
129.07008	3.6
131.08557	2.2
131.49358	1.0
133.06508	100.0
133.07579	6.5
133.10170	3.6
141.07011	2.1
143.08554	2.8
145.10201	1.5
147.08086	5.5
153.07008	1.7
155.08589	3.2
157.10120	5.5
159.08092	3.2
159.11713	3.3
161.05981	3.4
161.09602	1.1
165.07051	1.4
167.08562	2.6
168.09352	3.0
169.10217	5.8
171.08069	2.3
171.11731	2.9
173.09628	2.7
174.06784	1.2
174.99178	5.3
175.07581	4.3
175.11145	2.2
176.98904	2.7
179.08495	2.0
180.09355	1.5
181.10252	2.2
182.10883	1.6
183.08040	2.1
183.11714	4.8
185.09645	3.2
185.13219	2.3
186.10391	4.5
187.07587	3.2
187.11214	2.3
193.10178	1.4
195.08104	3.8
195.11749	2.3
196.08884	4.5
197.09651	3.5
197.13304	9.4
199.11208	3.3
199.14835	3.0
201.09158	4.2
203.10728	3.3
207.11784	1.5
209.09598	2.9
209.13237	1.5
210.10332	5.0
211.11153	1.9
211.14807	2.4
212.11960	1.8
213.09048	1.4
213.12744	2.6
215.10745	1.2
223.11238	1.3
223.14806	6.1
224.51913	1.4
225.12747	13.9
227.14301	2.7
229.12277	3.9
237.12810	3.3
239.14357	8.9
241.12259	1.2
241.15930	8.6
243.13786	7.9
250.13554	2.1
251.14276	1.6
251.18001	1.9
253.15935	1.5
255.13826	4.2
269.15421	1.6
269.18869	1.6
283.20630	2.2
293.18936	6.3
298.26273	1.3
311.20096	15.8
325.36795	1.3
329.17456	2.1
329.21075	16.0
330.33691	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42884	1.0
52.77478	1.3
55.05499	4.0
57.86926	1.0
58.56769	1.2
67.05501	3.9
69.07065	2.9
70.00468	5.5
71.04993	13.6
71.08645	1.1
79.05491	3.8
81.07050	4.4
83.04987	1.7
91.05483	5.7
93.07058	6.9
95.04954	1.1
95.08613	2.1
98.98475	100.0
99.08083	3.7
105.07005	4.0
107.08607	14.5
109.06547	3.1
109.10191	6.3
117.07011	2.1
119.04920	1.8
119.08596	6.3
121.06506	2.0
121.10123	4.5
123.08032	1.9
125.09642	13.0
127.11199	20.6
129.07007	3.5
131.08586	3.7
133.06509	2.6
133.10136	5.5
135.08092	1.3
135.11681	2.1
137.05963	2.2
137.09654	1.9
141.06989	4.8
143.08548	4.2
145.10139	5.1
147.08104	5.8
149.05923	1.1
149.09608	3.5
151.07542	1.6
153.06979	3.6
154.07835	2.0
155.08569	5.3
157.10184	7.6
159.08072	2.2
159.11722	17.7
161.09622	2.7
163.11150	1.6
165.06999	1.2
167.08511	3.6
168.09348	6.0
169.10147	12.6
171.11717	3.2
173.09598	3.3
173.13226	1.8
174.99234	7.6
175.07591	1.7
175.11211	2.0
176.98892	4.0
179.08565	1.5
181.10217	1.3
182.10907	4.6
183.11696	2.5
185.09631	3.1
185.13229	5.9
186.10425	1.7
187.07634	1.3
187.11226	2.3
189.09103	2.7
191.10622	1.3
195.11620	1.3
196.08858	2.3
197.09630	2.0
197.13277	56.2
199.11105	1.5
201.08998	1.4
203.01691	1.1
203.10626	5.4
209.13298	2.3
211.14853	4.8
213.12781	1.9
213.16447	1.3
215.10635	1.8
215.14342	2.4
223.11203	1.6
223.14780	3.7
225.12807	14.7
225.16281	2.0
227.14330	1.6
229.12257	3.7
241.15915	1.8
243.13792	9.0
251.14529	2.0
252.99855	1.3
265.19513	3.9
273.14819	3.1
283.20560	7.8
285.18515	3.6
287.16074	1.6
293.19040	6.1
301.21448	1.6
311.19998	7.6
329.17432	2.0
329.21094	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	329.1386
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
50.12328	1.2
55.01867	3.9
55.05491	1.9
55.88622	1.0
57.01952	1.1
59.51493	1.3
67.01863	4.8
67.05505	4.2
69.03435	6.1
69.07067	3.1
79.05502	8.2
81.07063	19.9
81.86004	1.3
86.83997	1.2
91.05482	11.7
93.07039	8.3
93.92475	1.3
95.04981	3.3
95.08639	2.0
97.06544	4.2
98.98474	100.0
103.05479	1.7
105.07027	12.7
107.04951	4.7
107.08601	7.2
109.06541	5.1
115.05495	2.2
117.07047	3.8
119.04973	1.5
119.08591	18.3
121.06522	12.9
121.10146	1.8
123.00828	3.3
123.08051	3.1
128.06227	2.6
129.07021	8.2
131.08554	2.8
132.05708	1.7
133.06499	8.4
135.41908	1.7
141.06966	2.3
143.08598	5.4
145.06500	4.6
145.10060	6.1
146.11002	1.2
147.08057	25.3
147.11722	2.3
151.03807	1.4
152.06198	2.5
153.07027	3.1
154.07823	1.6
155.08536	4.1
155.96738	1.2
156.09337	1.2
157.06509	2.5
157.10176	3.6
159.08098	2.1
161.06021	2.7
161.09662	3.4
164.38615	1.4
165.07018	3.4
166.07860	1.5
167.08566	4.3
169.10162	5.6
171.08093	3.8
171.11705	2.1
173.06021	2.9
173.09660	2.6
174.99234	6.6
175.07573	24.1
176.98946	3.7
179.08548	8.0
180.09312	2.8
181.06503	4.6
181.10132	3.9
182.07314	1.7
183.08063	1.9
183.11676	2.7
185.05965	2.3
185.09695	2.5
187.07561	2.1
187.11165	1.5
189.12805	4.6
193.08516	1.4
193.10172	2.4
194.10899	4.2
195.08075	23.4
195.11768	3.1
197.09668	5.4
199.07582	4.3
199.11197	2.3
201.09132	3.5
203.07042	66.4
204.09392	1.9
207.08127	2.2
209.06049	2.1
209.09702	1.4
209.13274	5.5
211.07483	2.5
211.11197	1.6
213.09096	3.4
213.12773	2.6
215.10645	2.5
219.11815	3.5
221.08017	3.5
221.13251	2.2
222.10432	3.9
223.07553	34.4
223.11179	3.4
225.09149	11.6
227.06989	3.3
227.14384	1.5
231.06514	11.9
237.09134	1.8
237.12764	17.7
239.10649	2.0
241.12242	4.1
243.10127	1.5
250.09959	1.7
255.13809	9.7
265.12231	41.6
266.12656	1.7
273.14844	1.4
283.13312	48.1
285.18295	1.6
293.11688	2.5
301.14337	4.5
311.12796	24.6
329.06476	2.0
329.13849	19.8
329.17398	2.2
329.21136	2.2
339.70453	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.01868	0.7
55.05508	4.1
57.03431	0.6
65.03934	0.4
67.05500	1.6
68.99811	0.7
69.03436	1.4
69.07060	1.2
70.06602	1.8
70.29849	1.1
70.30281	0.6
71.05007	0.7
72.08138	0.4
72.54708	0.4
77.01603	0.4
79.05502	2.1
79.05911	0.3
81.03385	0.5
81.07060	4.8
83.04971	0.7
83.08640	0.5
84.08136	0.7
85.02909	5.1
85.06536	0.7
86.09705	0.7
87.04449	0.4
90.67926	0.4
91.05481	3.1
93.07051	3.0
95.04951	0.8
95.08615	3.3
97.06573	0.7
97.10169	3.1
98.98470	100.0
99.04445	0.5
100.98865	0.7
105.07018	2.8
107.04954	1.0
107.08596	8.6
109.06527	1.4
109.10164	1.1
115.05505	0.4
116.99497	1.8
117.07002	0.8
119.08621	1.4
121.06502	1.3
121.10131	2.0
123.08081	1.3
125.06012	1.6
125.09634	4.9
127.03990	0.5
128.06267	0.4
129.07036	0.4
131.08545	0.8
133.06511	0.6
133.10147	1.2
135.04419	0.7
135.08057	1.0
137.02350	3.0
137.05986	2.1
137.09621	1.3
139.11188	1.1
141.05540	0.4
141.06903	0.5
145.06517	0.7
145.10107	2.7
147.08034	0.9
149.06032	1.1
149.09637	0.8
151.03990	0.7
151.07521	0.8
151.11142	0.5
155.08614	0.7
159.08076	0.5
161.06049	1.2
163.03946	0.5
163.07590	0.8
163.11206	1.2
165.09149	1.8
169.04974	3.0
173.09659	1.7
174.99239	7.7
175.07596	1.5
175.11124	0.5
176.98926	3.4
177.05510	0.5
177.09090	0.7
177.12764	0.6
179.07135	0.6
179.10678	0.7
180.49649	0.4
183.08043	0.8
183.10156	0.5
187.11157	1.1
191.10690	1.3
193.08650	0.6
193.12224	0.6
197.09636	0.5
199.11426	0.5
201.09174	2.0
203.26102	0.4
205.12253	2.3
207.10069	0.5
215.10722	0.9
223.13284	2.9
225.09279	0.6
233.11794	2.5
239.09209	0.5
241.14328	3.1
241.16307	0.3
243.10161	0.8
250.99985	0.4
252.99883	0.6
253.10770	1.6
261.11142	0.5
283.09912	0.9
283.13373	0.5
293.14059	0.4
311.09979	0.8
311.15253	0.9
314.04199	0.5
329.06775	0.9
329.11136	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	329.0653
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
53.00305	0.8
53.20309	0.3
53.41889	0.3
55.01866	0.5
57.03428	1.2
67.01879	0.4
67.05501	1.3
67.12633	0.4
68.99789	6.8
69.03426	1.2
69.07064	0.6
70.30048	1.4
72.02123	0.4
79.05495	0.6
79.98992	0.5
81.07052	0.8
83.04967	0.3
85.02910	1.7
91.05489	1.0
93.07058	0.4
95.01322	1.5
97.06548	0.7
98.98470	60.6
99.04453	9.8
100.98897	0.7
109.10149	1.1
113.02360	1.6
116.99506	1.0
118.04169	1.8
119.04927	4.7
119.08534	0.4
121.02865	8.9
121.06487	0.4
123.00800	2.2
127.03918	15.8
127.11176	0.8
131.04929	2.6
131.08522	0.5
133.06458	0.6
135.04449	0.8
139.00256	3.2
140.01053	0.9
145.02835	2.3
145.06439	0.7
145.10165	0.7
147.04456	0.9
147.08028	0.6
150.62341	0.4
151.00311	0.5
153.01863	0.6
155.03415	0.6
156.05743	0.5
157.10034	0.5
158.03618	0.4
158.07292	0.4
159.08078	1.3
159.11760	0.4
160.05202	0.8
161.05984	0.7
163.03877	0.7
166.99744	1.1
168.00529	2.1
169.01344	3.8
169.10204	0.4
172.08786	0.5
173.06102	0.4
173.09581	1.9
174.06787	0.4
174.99246	4.9
175.11261	0.6
176.98953	2.0
177.09068	0.5
181.01318	0.5
183.02899	33.1
185.06039	0.7
186.01601	3.2
186.03114	0.6
187.03905	2.9
187.11191	1.2
189.09087	1.9
197.00822	1.6
197.09694	0.5
197.13358	0.5
199.11267	0.5
200.04718	3.1
200.08389	0.4
201.03902	0.6
201.05528	0.5
201.08980	0.5
201.12828	1.4
202.06281	1.3
203.10701	3.9
211.02382	12.4
211.11084	0.4
213.05499	3.4
213.09055	0.5
214.02687	2.4
215.03432	6.1
215.10683	1.2
215.14346	0.5
217.12083	0.5
228.04190	1.5
228.11562	0.8
229.03178	3.0
229.05328	0.8
229.12230	8.2
230.05789	1.7
232.03787	0.6
233.04483	1.9
241.04985	0.7
243.02888	1.0
243.13808	2.5
247.13292	1.6
252.99664	0.5
255.06564	0.7
257.04449	10.0
257.07095	0.6
257.12003	0.5
258.05212	1.8
268.03760	2.0
269.04416	3.2
271.02396	5.8
273.14890	4.9
283.06021	0.9
285.03937	4.7
285.18466	7.5
286.04709	9.0
287.16443	1.2
297.03848	0.5
299.05432	0.6
301.03815	0.4
301.07077	11.2
311.20053	0.5
314.04144	7.4
315.04825	2.3
316.07227	0.4
319.88394	0.4
329.06558	100.0
329.21115	8.2
330.06796	2.7
350.13989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66729	0.2
55.01875	0.4
55.05515	3.4
56.05042	4.6
57.07072	0.9
58.06599	0.4
60.04530	12.9
64.06383	0.2
65.03914	0.4
67.05507	3.9
68.05025	0.6
69.07072	3.7
69.93777	1.2
70.06599	1.0
71.08630	0.3
72.04530	2.2
72.08166	0.8
74.06084	100.0
77.68293	0.3
79.05497	2.3
80.05025	0.4
81.07062	4.2
82.06604	0.8
83.05006	0.3
83.08627	2.2
84.08148	0.4
86.06078	5.2
91.05508	1.0
93.07031	2.2
94.06580	0.9
95.05001	0.5
95.08623	2.1
96.01482	0.2
96.08164	0.5
97.06564	0.7
97.10166	0.6
98.09673	1.4
98.98473	17.7
105.07047	1.0
106.07458	0.3
107.08611	1.3
108.08140	0.5
109.10189	1.1
110.09689	0.5
116.10738	9.4
117.07076	0.4
119.08620	0.6
120.08987	0.3
121.06540	0.3
121.10205	0.8
122.09704	0.4
124.07630	0.3
130.08636	0.6
131.08614	0.5
133.10106	0.3
135.11749	0.4
142.61337	0.2
149.13306	0.6
159.11781	0.3
170.50104	0.2
174.99298	1.2
176.98863	0.3
209.98917	0.3
241.81528	0.3
250.25237	0.3
257.17673	0.7
262.25522	0.4
268.26398	0.3
280.26489	1.2
284.17435	0.3
289.10864	0.3
292.23172	0.3
292.26215	0.5
298.27585	0.7
302.69107	0.3
310.23917	1.5
310.27576	1.3
328.20764	0.6
328.24921	8.3
328.28607	5.1
328.32233	1.0
329.21692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.7
56.05038	4.4
57.07073	0.6
58.06590	0.4
60.04528	12.9
67.05508	3.7
68.05049	0.7
69.07079	2.6
69.94167	1.8
70.06592	0.7
70.87952	0.3
71.08653	0.4
72.04527	1.4
72.08149	0.6
74.06083	100.0
79.05492	1.9
80.05054	0.4
81.07056	3.9
82.06579	0.7
83.08614	1.6
84.08140	0.4
86.06072	4.2
91.05492	1.3
93.07037	1.7
94.06577	0.6
95.04958	0.4
95.08598	2.3
96.08135	0.6
97.06512	0.6
98.06057	0.3
98.09696	1.3
98.98472	26.0
105.07047	0.6
107.08603	0.8
108.08192	0.5
109.10185	1.2
111.11671	0.3
112.07641	0.4
116.10735	6.9
119.08594	0.6
121.10177	1.1
130.08650	1.2
133.10184	0.5
137.02141	0.4
149.13272	0.6
162.15051	0.4
174.99309	1.5
176.98988	0.6
188.36768	0.3
189.09163	0.3
257.17761	0.4
262.25302	0.5
280.26370	1.6
292.22955	0.4
292.26419	0.7
298.27536	0.8
310.23795	1.0
310.27545	1.4
328.20358	0.9
328.24902	6.1
328.28641	5.9
328.32248	1.2
332.77817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.6
55.05268	2.4
55.05515	31.4
64.21346	1.6
67.05518	9.6
69.03417	3.2
69.07069	10.0
71.30519	2.9
73.83365	1.5
77.94386	1.8
79.05501	16.3
81.07069	9.8
83.04965	3.1
83.08626	17.8
83.45476	1.5
85.06539	2.1
91.05479	5.5
93.07027	5.1
95.08602	4.3
97.09557	2.1
97.10183	41.2
98.98476	100.0
105.07066	9.2
107.07890	2.8
107.08604	50.1
109.10175	3.4
116.99539	2.6
119.08636	3.7
121.10145	3.3
123.07977	1.8
125.09641	34.1
127.11179	1.8
130.65010	1.5
131.08559	3.1
133.06450	2.5
133.10132	5.9
135.08037	3.4
135.11681	1.6
145.10091	4.3
147.11642	3.1
149.09589	2.2
153.09167	2.3
159.11681	2.3
171.10150	7.1
171.11491	2.2
173.09589	2.6
174.99213	7.0
176.98984	2.3
189.09279	2.9
189.11230	45.5
201.09009	1.9
201.12712	3.0
203.10696	7.7
215.10645	1.8
229.12262	11.3
241.12268	1.6
242.12581	1.6
243.13853	4.7
247.13492	3.3
257.18961	5.2
269.39066	1.6
273.14832	6.1
275.17307	2.9
275.20093	35.9
284.17438	5.0
285.18533	14.0
328.20145	8.7
328.26266	4.2
329.21069	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35761	1.8
53.03939	2.3
53.98867	2.1
55.05505	9.5
57.03443	4.0
64.27612	2.3
66.91806	1.9
67.05505	27.4
69.03445	2.8
69.07061	6.8
70.90588	5.1
71.04989	4.6
79.05498	16.5
81.03394	2.3
81.07055	17.3
82.05891	2.0
83.04971	4.8
83.08601	6.0
90.65631	2.1
91.05492	12.8
92.94032	2.2
93.07034	16.3
95.04965	8.3
95.08611	13.2
97.10175	5.9
98.98474	100.0
99.98911	1.9
105.07033	12.6
107.08623	13.2
109.10152	13.1
114.36040	2.1
116.99518	2.1
119.08581	11.0
121.10193	10.1
125.09608	4.0
127.11183	4.9
129.07037	2.6
131.08597	5.1
133.10155	5.2
137.09624	7.6
145.10168	4.9
147.11682	3.8
159.11696	4.1
170.10544	2.1
172.13347	3.2
173.09615	2.9
173.11742	5.1
174.99191	6.9
176.98933	2.2
183.11554	2.5
187.11188	2.8
189.09160	3.3
189.11232	2.4
192.06494	2.2
203.10626	3.3
211.13298	2.3
212.14996	2.2
228.11282	2.6
229.12288	16.8
233.11884	2.6
243.13850	5.7
268.21457	6.8
273.14865	9.4
275.20117	6.0
284.17340	5.9
285.18430	11.1
328.19931	9.2
328.23309	3.8
329.20956	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	328.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21077	0.7
55.05492	0.8
57.03421	1.2
59.04717	0.9
59.05005	13.9
60.27452	0.6
61.02924	0.8
67.05465	1.0
69.03439	1.1
69.07053	0.7
69.43008	0.6
70.06120	3.1
70.06589	2.7
71.04977	0.7
72.08172	3.2
73.06559	28.1
79.05533	0.8
80.24277	0.6
81.07061	0.8
84.08160	1.7
85.02915	3.0
86.06046	0.7
86.09718	4.1
93.07030	1.1
97.06483	0.7
98.98472	100.0
103.05511	0.8
107.04941	1.2
116.07109	2.1
116.99529	1.8
117.09155	3.4
120.08141	3.4
123.70273	0.7
131.10677	2.1
132.05255	1.0
136.07692	0.7
137.06010	3.5
137.09570	0.7
138.06378	1.6
148.07581	4.1
149.11739	14.2
151.11864	0.7
156.86414	0.7
161.06023	1.8
162.06334	2.0
166.08693	1.0
174.99229	8.1
175.07593	1.0
175.99573	1.1
176.07944	1.1
176.98955	2.5
180.08894	1.0
185.16521	0.9
190.08606	4.8
202.52646	0.7
205.06470	0.7
207.07788	0.8
208.08366	1.0
212.03764	0.8
235.07297	1.2
236.07944	1.1
250.09349	0.9
251.00143	1.0
252.07475	0.8
256.62762	0.7
278.09033	0.9
295.09100	0.8
296.10056	2.1
304.12216	0.7
310.11578	1.6
328.12103	6.9
328.15549	3.0
329.12256	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	10.9
57.03439	5.2
67.05504	22.3
69.07079	19.3
69.92855	7.8
69.93241	10.4
71.04997	5.4
71.08635	3.1
79.05489	11.3
81.03392	3.6
81.07075	23.4
83.04980	3.4
83.08647	5.6
84.04520	4.5
91.05489	11.8
93.07053	16.7
95.08615	13.0
98.09688	7.1
98.98473	100.0
105.07033	12.8
107.08582	14.1
109.10159	8.9
117.07025	4.2
119.08575	11.1
121.10167	7.3
123.08060	4.3
127.11188	3.4
131.08565	5.5
133.06512	9.3
133.10141	7.7
134.06824	4.9
145.10049	4.4
147.08141	3.3
147.11703	6.3
149.13312	3.8
159.11674	5.1
174.99232	4.2
175.07623	3.8
189.09154	6.1
189.11273	4.4
199.07335	3.5
203.10672	8.6
215.10561	4.5
227.10464	4.1
228.11002	3.7
229.12253	26.2
230.71376	3.5
234.12177	3.5
242.12672	8.2
243.13788	10.5
273.14874	15.6
275.20145	13.4
284.17383	9.9
285.18411	17.1
287.16483	7.6
328.19608	18.6
329.21133	25.0
331.79953	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	327.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65370	0.4
55.01870	0.9
55.05509	2.6
57.03423	0.5
57.07068	1.1
65.03937	0.6
66.84383	0.5
67.05513	7.3
69.03426	1.2
69.07069	8.5
71.05004	0.6
71.39068	0.8
79.05495	2.8
81.03430	1.0
81.07063	13.6
83.04982	0.4
83.08636	2.5
85.02888	0.7
85.06544	2.3
91.05492	3.5
93.07053	6.2
95.04967	1.4
95.08057	0.8
95.08618	9.4
97.02890	0.5
97.06544	2.2
97.10163	1.1
98.98475	100.0
99.08095	1.7
105.07045	3.4
107.05034	0.9
107.08622	4.4
109.06532	1.4
109.10164	6.2
111.08099	3.5
111.11720	0.8
115.05471	0.6
116.99549	1.0
117.07071	0.7
119.05009	0.5
119.08579	2.4
121.06501	0.9
121.10163	3.3
122.03691	0.5
123.08106	0.7
123.11687	3.7
125.09619	0.8
128.11139	0.5
129.06984	0.9
131.04965	0.7
131.08545	0.6
133.06509	0.9
133.10132	1.3
135.08058	0.8
135.11723	1.8
137.06007	3.5
137.09651	1.3
137.13239	2.3
147.08080	0.7
147.11678	1.5
149.13287	1.9
151.03932	1.4
153.12791	1.2
157.10139	0.6
161.06134	0.4
161.13342	0.6
163.14833	1.0
165.09155	0.9
165.12781	0.9
167.14377	0.6
174.99242	9.7
175.07607	0.6
178.07750	0.6
189.09114	0.8
195.08093	0.6
207.08209	0.7
213.09035	0.5
227.07153	0.5
234.06802	0.8
235.07622	1.1
239.10777	0.7
241.12250	0.5
249.09108	1.2
251.00090	1.8
267.10257	1.3
269.73935	0.4
277.08649	1.3
291.19568	0.7
291.26843	1.1
295.09793	1.0
299.12805	1.0
309.27954	1.0
312.06308	0.9
316.56790	0.5
327.08624	2.6
327.12460	3.4
327.15991	0.8
327.19687	0.7
327.23187	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01873	2.4
55.05502	4.7
57.07074	2.7
58.61879	1.1
65.31260	1.1
67.05515	8.4
69.03437	1.9
69.06733	1.1
69.07073	11.6
69.40118	9.0
71.04980	1.9
79.05481	4.7
81.07066	23.0
83.08615	4.5
85.06573	5.6
91.05483	5.3
93.07042	9.1
95.04951	1.5
95.08618	12.7
97.02876	1.2
97.06536	3.3
97.10155	1.6
98.98476	100.0
99.08110	2.0
105.07024	2.9
107.04953	1.1
107.08591	6.1
108.24596	1.3
109.06525	1.9
109.10161	7.9
111.08075	4.2
111.11662	1.1
119.08563	2.4
121.10161	4.0
123.11697	5.1
135.11710	3.2
137.06013	5.3
137.13254	2.0
147.11664	3.3
149.13257	3.4
151.03909	1.6
153.12746	1.2
157.64703	1.2
163.14798	1.1
165.12807	1.6
166.33549	1.0
171.07932	1.3
174.99277	10.0
177.09081	1.2
185.19391	1.1
218.70624	1.1
235.07693	1.4
249.09035	1.1
267.10086	1.2
277.08575	1.6
291.26862	1.2
309.11127	1.6
309.28055	1.4
327.08469	2.9
327.12244	4.5
327.19464	1.3
333.97659	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.4
55.05511	6.3
57.07073	2.7
57.50068	0.8
67.05508	8.7
69.03428	1.9
69.07076	12.0
70.71799	1.6
70.72130	0.9
71.04977	2.1
71.08622	1.0
77.01584	0.8
77.76556	0.8
79.05492	4.4
81.03436	1.2
81.07062	21.2
83.04997	0.8
83.08208	0.7
83.08627	4.6
85.06554	4.2
86.31369	0.7
87.32332	0.8
88.26145	0.8
89.00551	0.8
91.05492	3.8
93.07057	9.5
95.04951	2.5
95.08617	13.4
97.06530	2.8
97.10173	1.9
98.98475	100.0
99.08088	2.7
100.11266	2.0
105.07015	4.2
107.08607	6.8
109.06523	1.4
109.10167	11.2
111.08095	5.1
111.11758	1.6
116.99577	1.0
119.08587	2.7
121.06529	0.9
121.10154	4.6
123.11721	6.2
125.09572	1.0
133.06488	1.2
133.10149	1.1
135.11710	3.0
137.05952	4.6
137.13261	3.6
147.08075	1.2
147.11700	2.6
149.13269	3.6
151.03862	1.1
153.12788	1.5
155.14355	1.6
163.07648	1.2
163.14806	1.5
165.09145	0.9
165.12810	1.9
174.99248	9.6
179.14320	1.0
206.07352	0.9
218.93628	0.9
240.97229	0.9
251.00079	1.2
277.08603	1.8
291.26743	2.3
309.11130	0.9
309.27914	2.5
327.08670	2.0
327.12341	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	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	8.8
57.07063	3.7
65.03899	1.9
66.20346	1.8
67.05506	16.3
67.80296	1.8
69.03386	1.9
69.07069	9.3
70.79509	5.2
79.05490	14.4
81.07063	17.1
83.04973	4.6
83.08585	3.1
85.06535	3.2
91.05486	26.6
92.87109	2.0
93.06495	2.5
93.07050	42.7
95.04966	39.3
95.08605	27.3
97.06519	8.2
98.98466	100.0
103.05490	2.6
104.18183	1.9
105.07024	31.3
107.08590	27.5
109.06522	6.0
109.10170	13.2
115.05464	3.4
117.06983	7.5
119.07809	3.1
119.08592	38.7
121.06491	8.4
121.10158	17.1
123.08055	7.0
123.11670	6.2
128.06184	3.8
129.06993	8.0
130.07741	2.6
131.08574	15.2
133.06435	4.0
133.10143	24.2
135.08029	8.0
135.11668	5.9
137.09605	3.3
141.06958	2.9
142.07767	7.7
143.08531	12.7
144.09328	3.3
145.10139	21.6
147.08043	2.6
147.11690	7.6
147.27379	2.1
149.09653	3.2
155.08546	6.9
155.14211	2.2
156.09358	4.5
157.10124	14.9
158.10873	4.6
159.11679	20.6
161.09639	8.4
167.08585	3.5
169.10106	9.5
170.10880	2.1
171.11757	10.1
173.13206	10.4
174.99246	11.4
175.11159	2.9
175.14804	11.4
179.08487	2.5
181.10144	2.7
182.10931	2.5
183.11662	5.3
185.13249	6.1
187.11134	2.3
187.14891	9.4
193.10309	3.0
195.11662	3.5
197.13255	9.4
199.14844	6.6
201.16493	3.7
206.10793	2.1
209.13272	4.9
211.14737	4.7
213.16393	3.1
215.14322	3.3
221.13098	2.3
223.14886	3.3
225.16365	3.5
227.14334	2.7
235.14680	2.6
251.18060	2.4
309.22122	3.7
320.34561	2.0
327.08081	3.2
327.19595	3.9
327.23184	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	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
55.01876	3.4
55.05521	11.9
57.07063	4.1
65.03947	3.1
67.05508	21.9
67.34589	2.4
68.60250	2.2
69.03400	2.4
69.07061	8.2
69.67380	6.6
69.67789	7.3
71.04978	2.8
77.03949	3.2
79.05504	10.7
81.03431	3.2
81.07064	17.7
83.08604	3.4
85.06528	3.2
86.33943	2.4
91.05480	24.0
92.59990	2.2
93.07043	50.7
95.04967	60.8
95.08617	34.2
97.06545	11.9
98.98466	100.0
103.05444	3.0
105.04494	3.1
105.07029	46.2
107.08608	27.4
109.06526	5.6
109.10142	14.5
115.05451	3.8
117.07017	12.2
119.08578	39.3
121.06484	13.5
121.10146	20.5
123.08074	10.0
123.11711	5.9
128.06230	4.0
129.07011	6.8
130.07780	5.7
131.08603	22.3
133.10132	29.2
135.08054	4.7
135.11693	8.1
135.47112	2.4
137.09624	4.7
141.06993	3.2
142.07800	9.6
143.08559	15.1
143.61255	2.4
144.09329	4.1
145.10126	29.2
147.08141	2.8
147.11728	8.2
148.87332	2.0
149.09630	3.1
149.13263	3.0
152.06218	13.1
153.07024	9.8
155.08566	6.5
156.09320	4.5
157.10133	24.1
158.10866	3.3
159.08011	3.6
159.11694	27.4
161.09648	8.7
161.13225	6.7
168.05679	3.0
168.09341	2.9
169.10146	9.5
170.24377	2.4
171.11661	11.3
173.09694	3.1
173.13283	8.2
174.99219	11.7
175.14809	12.8
181.10179	3.9
182.10899	5.8
183.11745	9.9
185.13307	7.8
187.11168	4.2
187.14839	11.1
197.13293	9.7
199.14903	6.5
201.16505	2.8
209.13237	10.0
211.14798	5.8
215.02504	3.4
217.15897	5.5
223.14874	3.8
225.16451	3.7
228.09357	3.9
233.03651	12.1
239.14310	2.5
251.04594	5.7
291.20892	3.0
309.22134	5.6
327.07870	36.9
327.19778	4.6
327.23218	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	327.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.5
55.32312	0.6
56.05045	0.6
57.03435	1.2
65.03955	0.8
67.05513	3.9
69.03429	1.0
69.07079	3.5
70.47473	0.5
71.31351	0.5
71.50273	0.8
79.05495	4.6
81.07068	6.9
82.40535	0.6
83.04992	1.0
83.08643	0.6
91.05499	5.0
93.07050	6.7
95.04988	1.4
95.08615	6.0
97.06533	2.8
98.98472	100.0
105.07038	10.7
107.08607	6.5
109.06541	0.8
109.10170	3.4
109.73124	0.8
115.38328	0.6
116.99516	1.4
117.07028	3.1
119.08580	5.4
120.33804	0.6
121.06516	0.8
121.10133	3.7
123.08052	1.1
123.11745	1.1
125.09653	0.9
128.06242	1.1
129.07011	3.1
130.07802	1.0
131.08578	6.5
133.10144	4.9
135.08090	1.2
135.11700	2.7
141.07027	2.4
143.08563	6.3
144.09351	0.7
145.10130	5.7
147.04434	0.8
147.08076	0.7
147.11725	2.6
153.07045	0.7
154.07780	1.1
155.08578	4.7
156.09373	2.1
157.10129	5.8
158.07350	0.8
159.08014	1.0
159.11694	6.6
161.06007	0.9
161.13249	1.2
163.07599	0.9
167.08636	1.2
168.09326	0.9
169.10124	6.0
170.10948	1.2
171.08058	0.9
171.11668	4.5
172.08826	1.0
173.09622	1.7
173.13297	3.3
174.99236	11.9
175.07637	1.4
175.14888	0.9
179.08707	0.7
181.10158	1.7
182.10968	1.3
183.11679	5.1
185.09694	1.9
185.13287	4.6
186.14230	0.7
187.07655	0.7
187.11206	0.7
187.14859	1.4
189.09140	4.4
191.03712	0.7
196.12431	1.0
197.09605	0.8
197.13263	4.8
198.10501	1.0
198.14023	0.9
199.07567	1.0
199.11255	1.1
199.14893	2.6
201.09215	1.3
201.76915	0.7
203.10667	0.9
208.57120	0.6
211.11267	1.0
211.14836	6.8
213.09119	2.3
213.12695	3.1
214.09918	0.8
215.10796	1.7
217.12280	0.8
223.14912	0.7
224.15521	0.9
225.12842	1.2
225.16402	3.5
226.09952	0.8
226.13602	0.8
227.10710	5.1
228.11520	1.4
229.12308	2.6
231.10153	1.0
237.16341	0.8
239.10722	0.7
239.14322	0.9
239.18044	2.1
241.08804	0.8
241.09970	0.8
241.12207	6.9
243.13828	1.3
245.80746	0.8
251.00095	1.5
253.12309	2.2
255.13828	2.1
255.17441	1.6
267.14059	0.9
267.21097	25.8
268.14755	1.6
269.15323	1.1
271.13385	3.0
271.16864	1.4
283.16937	15.5
283.19928	1.1
285.22174	1.0
299.20004	0.9
309.18585	1.8
327.08810	1.3
327.15848	1.5
327.19614	30.5
327.23306	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	327.1802
Annotation	Naematolin G
Peak:m/z	Relative Intensity
53.03942	4.9
55.01867	17.0
55.05497	14.5
57.03447	24.9
65.03908	4.4
67.05492	17.6
69.03428	7.1
69.07055	11.5
69.61909	3.0
69.83941	13.7
71.04990	8.1
72.54031	3.2
73.02903	5.6
79.05498	37.3
81.07063	45.1
83.04961	8.6
83.08617	3.7
84.29471	3.2
85.06546	13.1
87.04429	3.5
90.97295	3.2
91.05486	31.5
93.06496	5.5
93.07053	100.0
95.04983	18.3
95.08614	21.6
97.06545	21.7
98.20861	6.3
98.98473	69.9
99.04458	8.7
105.06396	5.5
105.07040	64.6
107.07991	4.6
107.08612	56.5
107.98463	3.4
109.06507	20.0
109.10142	8.5
111.08096	10.4
117.05466	5.8
117.07011	5.2
119.08575	31.0
121.06509	13.9
121.10150	26.6
123.08035	5.7
123.11687	5.7
124.33318	3.1
125.05968	11.4
127.07527	8.8
129.05473	41.9
129.06978	5.6
131.08521	4.2
133.06433	5.1
133.10133	24.4
135.08060	17.1
137.05994	6.9
137.78786	3.1
139.07542	11.2
142.07806	4.2
143.06999	11.3
145.10086	8.8
147.07997	5.7
147.11691	54.0
149.13269	10.2
155.06996	3.6
156.09261	3.9
157.08627	5.0
157.10121	10.9
159.11714	5.1
161.13248	7.4
165.12773	23.8
169.08569	3.6
171.11688	9.6
174.99231	9.5
175.11162	24.1
177.12708	5.1
189.12766	20.7
193.12263	23.7
199.11214	7.9
201.07541	8.0
207.13847	10.2
217.12283	23.6
229.86940	3.4
235.13257	10.4
253.14368	5.5
309.16919	8.2
327.12210	4.5
327.18085	50.3
327.21945	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	327.1592
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03931	0.9
55.01883	1.1
56.92365	0.6
65.03958	0.5
67.05475	0.5
70.63297	1.5
71.55791	0.5
77.03910	0.5
79.05492	3.1
81.07053	2.0
91.05486	5.0
93.07034	1.4
94.04183	2.7
95.04966	1.5
95.08569	0.6
98.98470	56.1
103.05475	21.0
105.07040	9.5
107.04935	3.2
109.06539	2.7
111.57363	0.5
115.05464	2.2
117.07027	2.7
119.04927	1.4
119.08574	0.5
121.06520	7.7
122.03658	7.5
123.04409	0.6
123.08096	0.9
128.06204	0.7
129.07011	0.7
131.04936	22.3
133.02882	0.7
133.06497	30.7
134.06853	0.7
135.08055	12.3
136.05219	0.7
137.05986	100.0
138.06355	0.8
143.04953	1.1
144.05713	0.6
145.06505	6.0
147.04434	1.0
147.08023	2.6
148.05231	0.7
149.05971	1.8
151.03902	1.0
151.07552	11.5
157.06528	2.9
159.04399	0.6
159.08051	0.6
160.05222	1.2
161.06119	0.4
161.09642	0.5
163.07552	47.6
165.09166	0.8
171.08047	1.3
173.06143	0.6
174.06749	0.6
174.99265	5.7
175.07559	4.0
177.09100	1.4
187.07587	2.3
189.09135	2.0
194.54126	0.6
195.07938	0.7
202.07820	1.4
203.06949	1.0
203.10739	2.0
207.08051	0.9
217.10187	0.7
220.08868	0.8
235.07690	0.7
235.11215	2.7
245.09613	1.4
248.08267	0.9
249.09140	0.6
251.00111	1.2
263.10733	3.6
267.10049	0.9
277.08533	0.6
283.17380	0.5
286.48224	0.5
295.10022	0.6
295.13245	10.1
327.12164	2.2
327.15942	8.9
327.19830	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
54.18643	0.4
55.01881	0.5
55.05513	34.9
57.03442	1.0
57.07072	0.6
62.29273	0.4
65.04992	0.4
67.05505	1.6
67.68351	0.4
69.07068	2.0
70.97238	1.0
71.04997	0.6
79.05498	2.8
81.03429	0.7
81.07064	2.8
83.04983	37.0
83.08618	1.2
91.05499	2.1
93.07059	1.6
94.71074	0.4
95.04957	0.7
95.08636	1.7
97.06530	3.5
98.98469	100.0
99.91730	0.5
105.07037	2.3
107.08608	2.3
109.10165	0.7
115.05435	1.0
116.99477	1.1
117.07004	0.7
119.04910	0.5
119.08575	1.4
121.06503	0.8
121.10145	0.8
123.08128	0.6
123.11735	0.5
128.06227	2.2
129.07021	2.8
131.08582	2.1
131.15816	0.4
133.10138	1.1
137.05927	0.5
140.01106	0.7
141.06979	5.2
142.07779	3.9
143.08568	3.0
144.05753	0.7
145.06577	0.6
145.10112	1.1
147.04407	0.4
149.13223	0.6
152.06256	0.6
153.07004	6.5
154.07761	0.7
155.08574	7.2
156.09352	0.9
157.06465	1.0
157.10133	2.8
159.08066	0.7
161.06021	0.7
163.03839	0.6
165.05605	1.1
165.07002	23.0
166.07793	28.1
167.08603	2.4
168.09334	3.7
169.06500	0.7
169.10136	1.4
171.07977	1.0
171.11702	0.7
173.09610	1.0
174.99242	11.1
179.08522	2.2
180.09286	1.0
181.10123	59.0
182.10619	1.3
183.08096	1.5
183.11707	7.9
184.08847	0.7
185.05917	0.5
185.09627	1.5
187.07477	0.7
187.11128	0.6
189.09053	1.9
193.10133	1.1
194.07143	0.8
195.08035	0.7
197.09669	1.1
198.10397	0.5
199.07643	0.6
199.11171	3.8
201.12732	0.6
203.10677	0.6
207.08044	3.6
209.09625	4.9
211.11188	2.3
212.08412	0.5
213.09087	1.1
213.12788	1.9
215.10631	0.6
225.09149	1.6
226.09950	1.0
227.10663	27.2
229.12273	1.1
231.15990	0.5
233.11732	1.4
237.09117	0.5
239.10684	2.9
240.11394	0.5
241.12218	3.0
245.11685	0.6
251.00049	1.2
253.12244	1.0
255.10136	0.5
255.13878	0.6
268.14633	0.9
271.13321	1.2
283.13721	0.9
283.16934	7.9
284.14005	0.5
285.14841	0.9
309.18298	1.2
327.08170	0.8
327.12259	0.6
327.15833	5.6
327.19534	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	327.1594
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03947	0.6
54.03586	0.3
55.01877	0.9
67.05502	0.6
69.03448	0.4
70.06600	1.0
71.16581	0.7
72.08181	0.5
77.01582	0.3
79.05501	1.6
81.03421	0.6
81.07072	1.0
86.09724	0.4
89.06035	2.1
91.05487	3.3
93.07035	0.8
94.04185	1.5
95.04970	0.5
95.08651	0.4
97.06524	0.4
98.98473	100.0
103.04802	0.6
103.05476	10.9
105.07035	5.5
107.04959	2.0
107.08567	0.3
109.06523	1.6
115.05455	0.9
116.06342	0.3
116.99502	1.5
117.07031	1.5
119.04914	0.8
119.08601	0.5
121.06525	3.8
122.03678	3.4
122.64521	0.4
123.04401	0.6
123.08076	0.7
128.06311	0.4
129.07025	0.5
131.03940	0.4
131.04939	11.3
133.06506	18.8
133.08530	0.8
134.04637	1.0
134.05832	0.3
134.77480	0.3
135.08066	5.9
136.05199	0.5
137.05986	52.0
138.06323	0.5
139.01543	0.3
141.07024	0.4
143.04944	0.7
143.69856	0.3
144.05690	0.6
145.06508	3.2
147.04527	0.3
147.08049	1.6
148.53386	0.4
149.05997	1.2
151.03903	0.4
151.07545	5.7
153.06850	0.3
157.06470	1.7
159.08112	0.4
160.05153	0.4
160.53899	0.3
161.06010	0.8
163.07558	27.0
164.07835	0.3
165.02258	0.6
171.08066	0.8
174.97711	0.6
174.99239	12.4
175.07570	2.0
177.09119	0.8
182.04984	4.0
184.78696	0.3
187.07607	0.7
189.09108	1.1
203.10678	1.0
207.08122	0.7
208.02888	5.1
220.08858	0.5
235.07373	0.5
235.11197	1.1
245.09630	0.7
248.08154	0.4
250.99980	1.3
263.10706	1.9
277.08636	0.3
295.10022	0.6
295.13287	5.3
325.14319	0.4
327.08334	0.7
327.15573	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	327.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.01002	1.0
55.05515	71.2
66.60216	1.1
67.05508	3.0
69.03415	1.4
69.07058	1.3
70.06773	4.8
72.62367	1.0
79.05496	4.4
81.07051	1.9
83.04984	95.3
86.49411	0.9
91.05481	6.0
92.91603	1.0
93.07052	2.5
95.08617	3.0
98.20766	1.3
98.98473	100.0
103.05477	1.0
105.07045	6.6
107.08609	3.0
115.05463	3.5
116.99530	1.2
117.07025	3.2
121.10111	1.6
128.06215	5.4
129.07022	11.2
130.07805	2.0
131.08582	4.7
133.06488	1.3
133.10123	1.3
141.06985	12.5
142.07773	3.7
143.08594	5.5
143.09541	1.2
145.10124	2.4
152.06230	3.3
153.07005	17.7
154.07742	3.1
155.08568	21.9
155.18333	1.0
156.09357	2.0
156.39317	1.1
157.10143	4.7
159.08022	1.8
165.07014	30.4
166.07791	30.2
167.08603	5.1
168.09377	4.1
169.06482	1.3
169.10117	3.1
171.08124	1.1
171.11670	3.4
173.06001	1.4
174.99205	9.7
178.07765	1.4
179.08577	3.4
180.09201	1.5
181.10130	51.9
182.10745	1.5
183.08168	1.3
183.11664	3.5
184.08777	1.2
185.13376	1.4
189.09094	3.1
195.07983	1.1
197.13295	1.6
199.07683	1.4
199.11186	5.5
207.08075	4.4
209.09607	7.6
215.10727	1.3
225.09039	1.1
227.08574	2.0
227.10686	26.7
241.12245	2.9
251.00081	1.7
255.13704	1.1
267.21048	7.1
271.13248	1.5
283.16885	6.2
318.18625	1.1
327.15994	1.8
327.19522	10.2
327.22934	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
54.18643	0.4
55.01881	0.5
55.05513	34.9
57.03442	1.0
57.07072	0.6
62.29273	0.4
65.04992	0.4
67.05505	1.6
67.68351	0.4
69.07068	2.0
70.97238	1.0
71.04997	0.6
79.05498	2.8
81.03429	0.7
81.07064	2.8
83.04983	37.0
83.08618	1.2
91.05499	2.1
93.07059	1.6
94.71074	0.4
95.04957	0.7
95.08636	1.7
97.06530	3.5
98.98469	100.0
99.91730	0.5
105.07037	2.3
107.08608	2.3
109.10165	0.7
115.05435	1.0
116.99477	1.1
117.07004	0.7
119.04910	0.5
119.08575	1.4
121.06503	0.8
121.10145	0.8
123.08128	0.6
123.11735	0.5
128.06227	2.2
129.07021	2.8
131.08582	2.1
131.15816	0.4
133.10138	1.1
137.05927	0.5
140.01106	0.7
141.06979	5.2
142.07779	3.9
143.08568	3.0
144.05753	0.7
145.06577	0.6
145.10112	1.1
147.04407	0.4
149.13223	0.6
152.06256	0.6
153.07004	6.5
154.07761	0.7
155.08574	7.2
156.09352	0.9
157.06465	1.0
157.10133	2.8
159.08066	0.7
161.06021	0.7
163.03839	0.6
165.05605	1.1
165.07002	23.0
166.07793	28.1
167.08603	2.4
168.09334	3.7
169.06500	0.7
169.10136	1.4
171.07977	1.0
171.11702	0.7
173.09610	1.0
174.99242	11.1
179.08522	2.2
180.09286	1.0
181.10123	59.0
182.10619	1.3
183.08096	1.5
183.11707	7.9
184.08847	0.7
185.05917	0.5
185.09627	1.5
187.07477	0.7
187.11128	0.6
189.09053	1.9
193.10133	1.1
194.07143	0.8
195.08035	0.7
197.09669	1.1
198.10397	0.5
199.07643	0.6
199.11171	3.8
201.12732	0.6
203.10677	0.6
207.08044	3.6
209.09625	4.9
211.11188	2.3
212.08412	0.5
213.09087	1.1
213.12788	1.9
215.10631	0.6
225.09149	1.6
226.09950	1.0
227.10663	27.2
229.12273	1.1
231.15990	0.5
233.11732	1.4
237.09117	0.5
239.10684	2.9
240.11394	0.5
241.12218	3.0
245.11685	0.6
251.00049	1.2
253.12244	1.0
255.10136	0.5
255.13878	0.6
268.14633	0.9
271.13321	1.2
283.13721	0.9
283.16934	7.9
284.14005	0.5
285.14841	0.9
309.18298	1.2
327.08170	0.8
327.12259	0.6
327.15833	5.6
327.19534	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	327.1229
Annotation	Eucalyptin
Peak:m/z	Relative Intensity
55.01883	0.8
57.88298	0.6
58.36765	0.7
70.77008	1.8
73.72346	0.6
79.05477	1.2
80.01728	0.7
89.06052	1.0
91.05466	2.3
92.99419	0.7
93.07089	0.8
94.04213	1.1
95.04979	1.0
98.98472	100.0
103.05488	2.8
105.03375	0.8
105.07040	3.2
107.04936	1.1
115.05460	5.2
116.99535	1.2
117.07045	0.8
119.08567	1.0
121.06509	1.2
122.03658	2.3
131.04930	13.5
132.05693	0.9
133.02841	1.2
133.06503	1.8
137.05983	32.6
143.04903	3.7
146.03609	5.0
147.04460	1.3
147.08028	1.5
149.05997	2.1
151.03915	1.1
151.07539	0.8
160.05231	2.1
161.05997	31.9
163.07550	1.1
165.05534	1.7
165.07031	1.6
165.09102	1.2
171.04420	4.5
171.39595	0.7
174.99225	9.4
175.07533	10.8
177.05513	3.0
177.06888	0.8
177.32411	0.7
178.07817	5.3
179.08563	7.6
181.06531	2.6
188.04761	1.6
189.07016	4.2
191.07034	1.1
191.08659	0.8
194.07379	1.0
195.08063	1.6
196.08920	1.3
203.07048	7.3
205.06490	2.7
206.07268	2.8
207.08075	12.0
208.08658	1.1
209.05917	1.3
211.07466	0.8
217.06523	2.2
218.07376	1.5
219.08133	0.9
221.06003	1.4
223.07440	3.7
224.08246	3.2
225.09113	1.5
233.05963	1.1
234.06821	6.8
235.07562	11.3
237.05550	1.4
237.09146	1.7
238.09756	1.0
239.10612	4.2
241.08656	0.9
245.06030	1.7
249.09135	6.7
251.00146	1.1
251.07059	5.3
252.07864	2.9
253.08612	1.4
258.51630	0.7
262.06186	3.0
263.07059	6.1
264.07944	1.0
265.08649	1.7
266.09433	1.4
267.10168	14.4
269.08047	3.8
277.08606	9.5
279.06479	1.3
280.07251	1.3
281.11655	1.1
284.10388	4.0
285.11176	0.9
294.08850	4.2
295.09653	20.2
296.10391	1.4
297.07755	0.8
297.11115	1.3
299.12650	3.5
309.11185	10.0
312.10052	0.9
327.12271	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	325.274
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
55.01871	6.2
55.05514	18.6
57.03436	5.7
57.07074	7.7
66.38444	2.6
67.05508	30.6
67.61085	2.5
69.03431	10.7
69.07073	55.7
70.32015	6.2
71.04993	5.4
73.23338	2.7
73.82815	2.8
79.05506	24.3
80.63351	2.3
81.03413	9.4
81.06588	5.6
81.07065	100.0
83.04983	3.8
83.08633	14.6
85.02917	2.9
85.06537	12.0
91.05483	14.0
93.07048	50.2
95.04971	9.1
95.08614	48.6
97.02889	3.4
97.06544	12.3
97.10176	6.3
98.20872	3.2
99.04461	3.1
99.08115	3.2
103.05474	5.0
105.07042	22.2
107.04975	6.0
107.08612	45.8
109.02907	2.9
109.06528	9.0
109.10168	36.2
111.08094	42.5
111.11706	10.3
117.07098	4.7
119.08572	11.4
121.06548	5.5
121.10162	17.0
123.08067	4.9
123.11717	39.4
125.09705	6.5
131.04958	3.5
131.08539	4.4
133.06503	3.3
133.10146	18.1
135.08046	8.1
135.11700	10.5
137.06007	5.3
137.13269	8.2
139.11220	16.6
145.10088	5.5
147.11713	7.2
149.09569	3.2
149.13275	7.4
151.03984	3.2
151.11191	41.5
153.05441	3.1
153.09123	4.2
153.12735	7.5
159.11755	5.6
163.07556	11.3
163.11212	4.3
163.14861	5.0
165.12793	7.4
169.12285	5.5
175.07619	4.2
175.11115	3.4
175.14796	3.9
177.12883	3.8
181.12294	5.6
187.11209	3.8
189.61124	2.5
195.11668	2.6
199.07596	2.4
209.18999	3.1
271.24240	4.3
289.25333	13.5
307.26318	41.4
325.10730	9.1
325.14258	5.9
325.17853	3.9
325.27383	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	327.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42714	0.6
53.03944	1.3
54.61560	0.6
55.01868	1.8
55.05507	1.6
57.07056	0.6
60.55192	0.5
67.01852	1.6
67.05505	2.5
69.03433	14.4
69.07065	1.3
71.50702	0.9
79.05499	3.4
81.03410	2.2
81.07058	6.6
83.04952	1.0
91.05483	6.4
93.03461	0.8
93.07050	2.5
95.04967	3.1
95.08614	1.8
97.06533	4.2
98.98473	100.0
103.05502	1.0
105.07009	3.7
107.04962	2.0
107.08600	2.4
109.02908	0.8
109.06519	0.9
109.10116	0.7
115.05476	2.1
116.99515	0.9
117.07038	3.4
119.04909	1.6
119.08595	4.7
121.06519	2.3
123.11721	0.6
128.06262	3.5
129.07014	5.6
131.04938	1.3
131.08585	2.1
133.06511	2.0
133.10150	1.1
135.04449	0.8
135.08051	2.6
137.02364	0.7
137.06001	1.8
138.81778	0.7
141.07034	3.0
142.07797	5.8
143.08519	3.6
144.05766	1.0
145.06509	2.5
145.10158	1.2
147.08044	4.0
147.11659	1.1
149.06123	0.6
152.06238	1.4
153.07004	1.0
154.07805	1.4
155.08607	2.7
157.06534	1.5
157.10141	3.9
159.08066	1.7
159.11783	0.8
161.06004	1.2
161.09618	14.7
163.07558	4.8
165.07021	2.4
165.12718	0.8
166.07733	0.6
167.08556	3.4
168.09279	0.9
169.06471	1.3
169.10150	1.4
170.07310	1.5
171.08105	2.2
171.11807	0.9
173.05992	1.9
173.09619	1.7
174.99234	12.5
175.07555	6.9
179.08591	1.7
181.10251	0.7
182.10863	0.6
183.08130	1.9
183.11737	1.3
184.08890	0.6
185.06038	0.8
185.09650	5.8
187.07550	1.6
187.11143	1.4
189.09163	1.5
191.07022	1.2
191.08626	0.8
192.09355	1.9
193.10187	1.4
195.08032	3.2
195.11739	1.5
196.08914	1.1
197.06029	1.9
197.09657	1.0
197.13240	1.0
198.06732	1.1
199.07550	1.0
199.11108	1.4
201.09074	1.6
203.07051	13.5
203.10507	0.6
203.80920	0.6
207.11729	2.4
209.09676	1.0
209.13379	0.6
210.10316	0.7
211.07629	1.7
211.11264	2.3
212.08401	0.6
213.09103	6.0
213.12744	1.3
214.09750	0.8
214.77739	0.9
220.08954	0.9
221.09686	0.9
221.13301	0.7
223.07544	1.3
225.09152	1.2
225.12721	2.8
226.92992	0.6
227.10747	1.8
229.12277	1.3
231.06627	2.1
235.11275	3.5
237.12694	0.9
239.07053	1.0
239.10719	2.3
240.11491	0.8
241.08636	0.9
241.12289	2.9
251.00011	1.4
253.12259	7.0
255.10220	2.4
255.13821	1.2
257.11774	0.8
263.10675	2.5
271.13312	3.9
281.11722	9.8
283.09741	1.7
283.13544	1.2
283.16742	4.3
285.11169	0.8
299.12888	4.9
299.15778	0.9
309.11267	2.5
309.14807	0.6
309.18658	1.3
327.08554	1.8
327.12335	12.0
327.15988	1.2
327.19534	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	325.2163
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
53.03931	5.0
53.72873	1.5
55.01868	2.4
55.05508	8.5
57.03448	1.6
57.07060	5.0
58.65956	1.2
64.90288	1.3
65.03940	2.5
67.05508	13.5
69.03437	6.9
69.07078	7.3
70.01362	7.2
71.04977	2.9
79.05497	19.6
81.03436	1.8
81.07057	19.2
83.04971	12.7
83.08624	4.5
85.06535	3.4
89.31676	1.3
91.05485	23.3
93.07043	27.3
95.04970	64.5
95.08611	15.1
97.06544	9.3
98.20864	1.9
98.54457	1.3
103.05459	2.8
105.07030	38.9
107.04945	2.3
107.08595	24.5
109.06513	11.0
109.10166	13.7
111.04446	1.6
111.08008	1.7
115.05477	3.4
117.07027	11.3
119.08588	38.4
121.06510	10.2
121.10143	12.4
121.22759	1.5
123.08070	4.9
123.11690	2.2
125.09599	2.2
127.92755	1.4
128.06216	7.1
129.07002	9.9
130.07788	4.3
131.08574	17.0
132.86455	1.4
133.06468	4.1
133.10118	15.9
135.08089	10.5
135.08951	2.1
135.11691	5.2
137.05917	2.2
137.09608	2.4
139.11151	2.4
141.06972	5.2
142.07771	13.5
143.08539	20.5
144.09325	4.8
145.06525	4.0
145.10133	37.2
147.08052	8.7
147.11659	4.0
149.09570	4.9
153.06972	5.8
154.07721	3.1
155.08553	11.3
155.10654	1.7
156.09364	10.9
157.10136	32.5
158.10883	2.3
159.08055	6.6
159.11690	19.1
161.09642	10.1
161.13229	4.4
163.11098	2.4
165.06995	5.1
166.07791	3.5
167.08580	8.0
168.09244	3.2
169.10127	16.8
170.10852	5.3
171.08083	2.9
171.11705	23.3
172.08804	4.0
173.09642	13.2
173.13287	6.8
175.11194	2.6
179.08540	7.9
180.09274	4.5
181.10158	13.4
182.10941	7.6
183.11699	17.8
184.12492	2.0
185.09589	4.2
185.13228	7.1
187.11166	9.2
187.14783	6.6
189.12788	3.5
192.09326	4.7
193.10130	13.5
194.10886	6.9
195.07957	2.0
195.11722	12.9
196.12520	4.1
197.09723	2.7
197.13277	15.2
198.14008	2.0
199.11182	7.5
199.14771	3.8
201.12747	3.3
203.08641	2.8
203.14320	5.0
205.10202	2.1
205.15840	4.5
206.10960	2.5
207.11705	14.3
208.12495	7.9
209.09882	1.8
209.13321	12.3
210.13976	2.3
211.11195	2.2
211.14861	7.1
213.12718	5.1
213.16408	2.0
215.10631	2.0
215.14185	3.8
217.15929	1.7
218.10870	2.0
219.11731	3.9
220.12422	1.9
220.33777	1.4
221.13228	5.8
222.14069	1.6
223.11327	2.0
223.14806	21.2
224.15550	2.3
225.12790	7.7
225.16408	10.1
227.14259	2.7
231.11705	1.8
233.13283	4.5
234.14038	2.2
235.14867	2.4
236.15643	1.9
237.12733	4.3
237.16396	3.9
239.14252	2.4
239.18005	3.6
241.15814	7.6
245.15443	2.2
247.14738	2.2
249.16417	9.8
250.17453	1.4
251.14287	6.4
253.15724	2.7
255.17375	3.1
259.14795	1.6
263.17868	3.4
265.16119	2.0
265.19412	3.3
267.17480	9.6
269.15292	12.7
279.17874	1.7
279.21121	6.1
289.19504	2.9
297.22083	3.3
307.20575	15.9
325.18195	5.6
325.21597	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2163
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
53.03939	2.5
55.01868	2.5
55.05504	9.3
57.03441	1.9
57.07063	4.0
61.60121	1.7
65.03927	3.0
67.05502	14.6
69.03415	6.5
69.07050	6.6
69.85090	7.5
71.05000	2.5
79.05493	17.0
81.03404	2.8
81.07055	15.6
83.04993	10.1
83.08611	5.1
85.06538	2.5
91.04985	2.2
91.05490	29.1
93.07041	27.3
95.04971	72.4
95.08620	12.2
97.06548	11.8
103.05460	1.9
105.06402	2.7
105.07037	39.7
107.04937	4.2
107.08601	24.5
109.06500	13.9
109.10146	15.1
115.05440	3.9
117.07011	13.3
119.04951	1.7
119.07713	1.8
119.08572	33.8
121.06518	11.3
121.10164	12.6
123.08050	6.2
125.09587	2.1
128.06190	6.0
129.07013	12.7
130.07779	5.6
131.08565	17.6
133.06480	3.4
133.10124	22.4
135.08022	11.5
135.11665	4.7
137.05952	3.5
137.09575	2.4
141.07005	6.7
142.07800	16.5
143.08589	22.8
144.09341	6.1
145.06467	4.5
145.10121	35.0
146.07312	1.7
147.08058	8.7
147.11671	5.4
149.09671	8.5
153.06998	3.7
154.07819	5.6
155.08557	12.7
156.09338	14.4
157.08943	3.3
157.10126	34.4
158.07286	2.1
158.10875	2.5
159.08011	6.1
159.11697	19.8
160.08859	2.1
161.09644	9.7
161.13226	4.0
163.11171	3.6
165.06990	5.3
166.07780	4.2
167.08556	5.4
168.09465	4.1
169.10104	17.3
170.10878	5.2
171.11696	19.2
172.08739	2.2
173.09659	10.7
173.13260	4.2
179.08583	7.6
180.09325	5.3
181.10143	12.3
182.10909	5.5
183.11693	16.2
185.09584	5.0
185.13239	6.2
187.11237	9.2
187.14825	5.7
189.09050	2.0
189.12746	6.0
191.14314	2.9
192.09320	4.7
192.70222	1.7
193.10143	12.7
194.10928	4.0
195.07941	2.8
195.11691	17.1
197.09503	2.2
197.13261	14.1
199.11127	7.0
199.14755	3.4
201.12807	3.4
203.08549	1.9
203.14285	3.3
205.10146	1.9
205.15961	3.7
206.10930	5.2
207.11694	10.8
208.12491	9.7
209.13277	13.9
211.11234	1.9
211.14818	7.3
213.12766	5.4
213.16446	2.3
219.11676	2.2
220.12431	2.1
221.09641	1.8
221.13300	6.1
223.14790	17.7
225.12767	6.3
225.16457	9.4
227.14284	2.4
233.13184	5.6
234.13980	3.2
235.14809	3.5
237.12700	2.6
237.16408	5.7
238.17166	2.4
239.14313	2.3
241.15807	9.2
247.14856	2.0
249.16376	6.4
251.14310	9.5
255.17575	2.0
259.14966	2.1
263.17932	3.8
264.18823	2.5
267.17438	8.0
269.15372	12.4
279.21182	4.0
281.19128	3.3
283.20627	3.5
289.19394	2.2
297.22086	2.6
307.20633	15.6
325.14600	3.9
325.21616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1801
Annotation	3',5-Dimethoxy-4-hydroxy-4'-(3,3-dimethylallyl) stilbene
Peak:m/z	Relative Intensity
55.01873	1.8
55.05493	6.0
57.07065	1.3
59.04992	1.9
67.05505	20.4
69.03444	8.7
69.07059	8.2
70.75506	2.8
70.75833	2.2
73.75401	1.4
79.05482	4.6
81.07074	8.0
83.04955	4.5
83.08616	2.1
91.05482	4.3
93.07050	4.2
95.01260	1.6
95.04942	3.1
95.08613	3.8
97.06528	1.9
103.05421	1.8
105.07027	6.6
107.04895	1.7
107.08587	3.6
109.10157	15.8
111.72114	1.5
117.07003	3.6
119.04918	3.3
119.08595	4.6
121.06499	2.1
121.10156	3.1
128.06258	2.8
129.07001	5.7
131.04930	1.8
131.08557	2.8
133.06502	3.0
133.10143	2.8
135.11731	1.8
137.02332	10.4
141.06978	4.3
142.07762	2.9
143.08517	4.8
145.06526	3.5
145.10103	5.9
147.04364	1.9
153.06964	3.3
154.07735	1.7
155.08548	3.7
156.09338	3.7
157.06508	3.1
157.10127	7.4
158.07281	4.3
159.08023	9.2
159.11665	2.7
161.05951	4.1
165.06990	3.6
167.08504	3.6
169.06599	1.9
169.10129	4.9
171.08023	5.5
171.11667	3.2
172.08847	6.0
173.05943	3.7
173.09631	11.9
175.07564	2.0
176.08257	2.1
177.49312	1.5
179.08598	2.6
180.09354	3.1
181.10098	4.6
183.08047	4.9
183.11731	2.2
184.08827	4.4
185.06009	2.1
185.09634	8.1
185.13206	2.0
186.06717	3.3
187.07530	4.3
187.11261	3.1
189.09198	2.4
194.10925	3.1
195.08029	5.5
195.11739	5.4
197.09612	16.5
198.06960	2.3
198.10408	5.6
199.07550	5.5
199.11185	25.1
201.09087	18.8
209.06058	1.8
209.09644	3.0
209.13266	1.8
210.10352	3.4
211.07626	2.9
211.11188	8.2
212.08231	1.9
212.11935	5.5
213.09103	5.6
213.12714	23.4
215.08696	3.2
215.10684	42.1
221.09698	1.9
222.10397	2.5
223.07582	2.0
223.11174	6.8
223.14882	2.2
224.11929	1.9
225.09088	5.3
225.12726	5.4
226.09789	6.8
227.06998	4.4
227.10655	3.9
227.14253	5.0
229.08632	14.9
229.12219	4.1
237.12656	7.4
237.16403	2.0
239.10637	2.8
239.14319	5.8
240.11488	5.3
241.12253	36.0
243.10185	27.2
253.12338	3.1
253.15762	2.2
254.16663	5.2
255.13817	16.9
255.17453	13.1
257.11789	2.7
265.12289	4.3
269.08109	8.1
269.11694	18.7
269.15091	2.5
269.18997	1.6
279.17477	6.4
281.19019	1.5
283.13330	5.1
297.18503	100.0
298.18811	3.2
307.17023	3.5
325.14297	12.3
325.17972	87.7
325.21597	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	325.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
53.81121	0.9
55.01880	1.0
55.05518	5.3
55.79488	0.8
57.03451	1.0
61.93589	0.9
65.03935	0.9
67.05508	6.8
69.03430	4.0
69.05264	0.8
69.07056	3.8
70.50057	1.8
70.50455	1.6
71.05013	4.2
79.05498	13.3
81.03407	1.1
81.07064	9.2
83.04964	0.9
85.02880	1.6
85.06541	1.0
86.64471	0.9
87.04466	2.0
89.41534	0.8
91.05486	53.8
93.07048	15.6
95.04989	2.3
95.08598	3.4
97.02914	1.2
97.06514	1.5
99.04443	1.2
103.05444	2.1
105.07038	38.0
107.08603	5.4
109.06509	1.8
109.10156	1.2
113.06010	0.8
114.09177	1.3
115.03944	1.6
115.05515	0.9
117.07007	8.6
119.08588	87.8
121.06514	1.6
121.10139	3.8
123.08092	0.9
126.88171	0.9
129.05460	0.8
129.06970	1.8
131.08556	1.8
133.04938	1.3
133.10115	1.8
135.08051	2.7
137.05971	3.9
137.09619	4.1
142.07774	1.3
145.10121	3.3
147.11697	100.0
148.11966	1.0
151.07593	1.2
159.11690	1.3
161.09520	1.0
163.07527	4.7
163.11217	1.0
165.12762	9.5
173.09610	1.0
175.07591	1.8
175.11203	28.7
187.11115	1.3
189.07426	0.9
191.08237	1.5
193.12263	23.8
201.07460	1.7
205.06462	1.2
215.10588	1.2
279.15936	1.3
307.12173	0.7
307.15457	14.2
307.18845	1.7
325.10596	2.3
325.17023	5.0
325.79764	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.01873	7.8
55.05513	12.6
57.03446	4.5
57.07077	1.1
59.05000	2.0
65.03948	2.2
67.05510	37.1
67.29953	0.7
69.03442	3.7
69.07072	14.8
70.66280	1.9
71.04995	5.5
77.03953	1.0
79.05500	24.5
81.03429	1.8
81.07064	100.0
83.04996	9.8
83.08623	6.2
85.02911	1.1
85.06547	5.3
87.04469	5.8
91.05489	35.6
93.07055	17.1
95.04991	4.7
95.08615	26.2
97.02880	5.0
97.06539	9.5
97.10199	0.8
99.08103	4.5
103.05433	0.8
105.07041	44.8
107.04977	1.4
107.08605	16.1
109.06535	6.2
109.10181	2.0
111.04488	0.9
111.08102	1.8
113.06026	2.1
115.03938	21.3
115.07615	0.9
119.08592	36.7
121.10158	21.0
123.04465	0.8
123.08070	5.0
123.11725	22.1
126.20400	0.6
127.07581	2.0
129.07022	2.4
131.08580	2.4
131.09537	0.6
133.04961	1.0
133.10133	4.8
137.06021	0.7
137.13287	5.4
141.05513	0.9
141.09138	0.9
142.07799	1.1
145.10120	1.1
147.11702	89.5
148.12074	1.0
149.09633	1.7
149.13377	0.7
157.10156	5.0
163.07541	1.3
165.12769	60.4
166.13080	1.0
169.05014	5.1
175.11212	8.2
183.13853	4.6
187.06049	2.9
193.12236	10.1
203.27509	0.6
211.13304	1.8
229.10794	0.9
229.14415	9.0
233.15395	2.5
261.14883	2.4
278.94656	0.7
279.15918	4.7
297.16995	29.3
298.17099	1.1
307.15451	3.5
325.16501	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	325.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72128	0.4
53.03954	2.0
55.05515	63.7
65.59758	0.4
67.01874	2.1
67.05511	1.3
69.03419	0.5
69.35101	3.6
79.05513	2.3
81.07047	1.0
83.04985	100.0
83.64876	0.4
89.02259	0.4
91.05458	2.0
93.07056	1.3
95.04990	0.9
95.08592	0.5
97.02905	0.4
97.06526	0.5
105.07031	2.5
107.04966	1.7
115.04291	0.4
117.07040	1.1
119.08556	1.3
121.06518	1.0
128.06209	2.4
129.06995	1.8
131.08549	2.0
133.06512	1.0
133.10130	1.8
135.08040	0.8
141.06985	1.0
143.08589	2.4
145.06505	1.0
145.10123	1.4
146.07256	1.7
146.10886	1.3
147.08063	1.4
149.05925	1.2
152.06253	0.7
154.07823	0.5
155.08543	1.6
157.06480	0.7
157.10178	0.9
159.08035	0.8
161.05978	0.6
161.09622	5.7
165.07074	0.5
166.07780	0.5
167.08585	1.0
169.10149	0.8
171.08075	2.4
173.09645	0.7
174.06793	0.9
175.07535	0.9
178.07701	0.7
179.08594	1.0
180.09335	0.5
181.10066	1.1
182.07285	0.5
183.08092	0.6
185.09581	0.8
187.11073	0.5
189.09123	5.7
193.10181	0.8
195.08049	0.9
197.09584	1.5
199.07611	2.5
201.09030	0.9
205.10063	0.8
207.11719	0.5
209.09563	0.7
213.09070	1.2
215.10606	0.5
217.08618	9.7
219.11482	0.4
221.09702	0.5
223.07495	0.9
223.14796	0.5
225.09015	1.7
227.06976	1.5
231.08023	0.4
233.13310	0.5
237.12651	0.8
239.10602	0.6
241.08504	1.3
243.10141	1.3
245.05873	0.6
245.08130	10.8
251.14288	1.1
261.12830	0.5
263.10278	0.5
265.12277	0.5
279.13800	4.2
281.11725	0.5
297.14780	1.8
307.13235	3.0
325.14395	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	325.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93167	0.5
53.03946	2.2
53.54203	0.5
55.05515	62.7
67.01867	2.7
67.05512	0.9
69.03423	0.8
71.07410	0.8
71.07730	0.6
71.83778	0.5
77.99609	0.4
79.05497	2.1
79.74373	0.5
81.03390	0.5
81.07058	1.4
83.04987	100.0
91.05479	2.0
93.07050	1.3
95.04983	0.9
95.08649	0.6
95.70246	0.5
102.32374	0.5
103.00017	0.5
103.39033	0.5
105.07041	2.6
107.04960	1.9
109.06536	0.7
115.05454	0.7
117.07021	1.2
119.08609	0.8
121.06525	1.8
123.08040	0.6
128.06224	2.0
129.07001	1.1
131.08621	2.3
133.10146	1.9
135.04425	1.0
135.08058	0.5
141.07033	0.8
142.07790	1.1
143.08578	2.7
145.10118	1.5
146.07275	1.5
146.10883	1.4
147.08035	1.1
149.05984	1.6
153.06978	1.0
154.07803	0.7
155.08559	0.7
157.06517	0.8
157.10141	0.6
158.07286	0.5
159.08130	0.9
159.11659	0.6
161.05891	0.6
161.09636	4.3
161.13393	0.5
163.07500	0.5
165.06950	0.7
167.08569	0.8
168.09212	0.5
169.10104	1.0
171.07993	2.2
173.09610	0.9
174.06734	0.6
175.07657	0.6
178.07828	0.9
179.08569	1.7
181.06474	0.6
181.10146	1.0
183.08072	0.9
185.09648	0.5
188.11977	0.6
189.09117	5.3
193.10095	0.8
195.08000	1.1
195.11736	0.9
197.09586	1.4
199.07544	1.6
201.09074	1.1
203.06935	0.6
203.08682	0.9
207.11623	0.5
209.09610	0.5
212.11981	0.4
213.09099	0.7
215.10692	0.7
217.08601	9.7
218.10864	0.6
221.09636	0.5
223.07524	0.7
225.09056	2.6
225.12784	0.5
227.06961	1.4
233.13432	0.8
236.12022	0.8
237.09128	0.5
237.12724	0.6
241.08549	1.7
243.10210	1.2
245.08105	11.8
251.14230	1.3
261.12863	0.9
265.12109	0.5
279.13803	3.4
281.11765	0.5
297.14886	2.4
307.13315	2.7
325.14456	8.0
337.39420	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1397
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
57.03440	0.6
69.03422	0.9
69.75373	0.4
70.30726	0.9
70.31109	0.8
73.02920	0.6
85.02905	1.2
89.61540	0.4
91.05476	0.6
94.80952	0.4
96.24890	0.4
97.02982	0.4
98.97600	0.5
117.05743	0.4
118.06554	3.7
121.14732	0.4
126.64698	0.4
133.07614	4.7
143.01930	0.5
145.07620	100.0
146.08452	2.3
147.09142	0.6
161.01538	0.4
163.08681	64.0
176.97586	0.4
235.09987	0.5
282.99622	0.5
301.01239	0.6
325.13968	77.4
326.14172	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34032	0.5
53.03941	1.8
55.01876	2.4
57.03448	2.6
61.02910	0.9
67.05497	0.7
69.03438	16.3
70.06581	0.7
71.01366	0.7
71.05003	5.9
71.49683	0.7
73.02910	1.4
74.06088	0.8
79.05486	1.2
81.03423	15.4
81.07055	1.0
84.08150	1.1
85.02932	1.1
85.06604	0.5
91.05502	2.7
93.07037	1.1
95.04987	1.4
95.08608	0.8
96.91323	0.4
97.02883	0.6
99.04460	6.7
103.05476	0.8
105.07025	1.5
107.08593	2.0
109.06519	1.7
115.05463	0.8
116.04996	0.7
117.05511	1.7
117.07016	2.2
118.06562	6.3
119.08591	2.5
120.08071	0.8
123.08098	0.6
131.04942	0.9
132.06573	0.9
135.08057	5.3
137.06013	4.2
137.09644	2.3
145.06488	2.5
145.07616	7.8
145.08739	0.4
145.10088	0.5
147.08118	0.8
147.09190	8.4
147.11676	1.0
151.07523	1.8
159.09207	0.6
161.05934	0.7
162.07883	1.2
163.03944	0.6
163.07555	13.7
163.08685	0.9
173.07129	13.3
175.07480	1.2
175.08696	5.4
175.11186	1.2
191.08173	100.0
192.08441	0.7
193.12245	1.1
215.11897	0.6
231.11340	0.8
233.09200	1.7
271.10571	0.6
287.71521	0.5
289.11755	2.2
293.11118	0.7
307.12909	28.0
325.13919	20.2
325.17212	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.1
55.01882	2.7
57.03440	3.8
61.02930	1.0
66.25815	0.5
67.05511	1.5
69.03438	16.5
69.07056	0.6
69.82806	2.2
70.06608	0.7
71.01364	1.2
71.05000	5.4
73.02921	1.0
74.06086	1.2
79.05494	1.8
81.03424	17.9
81.07076	0.8
84.08156	1.1
85.02925	2.0
85.06556	0.7
91.05508	2.7
93.07053	1.7
95.04978	2.4
97.02894	0.7
99.04456	6.2
103.05518	0.7
105.06382	0.5
105.07059	2.4
107.08613	2.2
109.06522	1.6
109.10182	0.6
115.05471	0.9
116.04990	1.2
117.05510	1.9
117.07037	2.0
118.06554	5.4
119.04998	0.6
119.08615	2.1
120.08081	0.7
121.06570	0.8
131.04941	0.8
133.06496	0.9
135.08076	6.2
137.06007	4.3
137.09645	3.5
145.06491	3.3
145.07623	7.8
147.08095	1.0
147.09167	9.0
147.11710	0.9
151.07581	1.3
157.10187	0.7
158.93724	0.5
161.05989	0.7
162.07828	1.2
163.03880	0.9
163.07552	18.0
163.08659	0.9
173.07121	12.6
173.08621	0.6
175.07407	1.1
175.08775	5.1
175.11176	2.4
191.08173	100.0
192.08574	0.8
193.12212	1.6
201.09145	0.7
219.01743	0.7
231.11220	0.9
233.09395	1.6
271.10403	0.7
289.11777	2.4
293.11545	0.7
307.12875	31.8
308.13171	0.6
325.13873	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	323.2947
Annotation	propyl linoleate
Peak:m/z	Relative Intensity
55.05505	3.9
57.07081	5.4
67.05513	5.3
69.07077	6.9
70.59204	0.9
71.04984	4.1
71.08628	1.7
71.50283	1.2
79.05486	1.8
81.07072	6.1
83.08622	5.0
85.02913	100.0
93.07052	2.2
95.05000	1.3
95.08604	4.9
97.06518	2.4
97.10180	1.9
107.08599	1.1
109.10165	2.7
111.11739	1.6
113.06011	5.1
113.09777	0.9
121.10129	2.1
121.55705	0.9
135.11647	1.4
225.30745	0.8
243.87247	1.0
247.24268	1.3
251.83401	0.8
265.24979	0.9
279.26614	1.3
305.28540	1.0
321.47849	1.0
323.29483	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.9492
Annotation	Unknow
Peak:m/z	Relative Intensity
71.49670	4.0
89.27254	2.3
94.93028	23.2
96.92810	2.8
112.89630	7.6
114.89361	10.0
136.94020	4.1
145.07593	10.6
150.95598	17.3
163.08723	6.1
206.88655	3.8
208.96165	17.2
226.97206	100.0
244.13979	2.0
248.89656	17.0
250.89482	7.9
264.60522	1.9
325.14008	8.2
327.25165	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	323.2583
Annotation	Austroinulin
Peak:m/z	Relative Intensity
53.03950	0.8
53.05753	0.3
55.05515	3.2
57.07077	2.6
60.55722	0.3
67.05508	3.2
68.99793	3.7
69.07074	2.8
69.15464	3.7
71.08635	0.9
79.05490	1.0
80.56209	0.4
81.03412	1.3
81.07071	2.9
83.04987	0.4
83.08615	1.0
87.00838	2.3
91.05489	0.7
93.07038	1.0
95.04974	0.8
95.08616	2.0
96.53078	0.3
97.02886	0.7
97.06525	0.7
97.10178	0.6
105.07015	0.7
107.08580	0.9
109.02851	0.4
109.10149	0.8
111.00807	2.7
111.04493	0.7
113.02375	0.9
121.10155	0.5
123.04435	0.6
125.82964	0.3
126.03121	2.8
127.03914	1.6
139.03941	1.5
169.08662	0.6
183.10205	0.9
197.11716	1.2
211.13326	1.4
225.14853	1.4
230.79814	0.4
239.16431	1.0
251.86127	0.4
253.18065	1.0
267.19699	0.8
281.21182	0.6
295.26389	0.4
323.25830	100.0
324.26199	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75821	1.3
53.03949	1.6
55.01870	5.5
55.05268	2.2
55.05516	27.7
57.03434	2.0
57.07092	1.4
59.05008	1.3
62.05796	2.0
62.06097	35.1
63.06424	5.6
67.05185	1.6
67.05515	20.8
67.65680	1.4
68.05850	2.1
68.64794	1.2
69.03431	5.1
69.07079	15.7
71.04974	2.6
71.49437	1.1
71.51691	1.9
79.05491	17.8
81.03422	3.8
81.07064	20.6
83.04976	4.7
83.08633	12.0
91.05498	12.4
93.07053	15.3
95.01369	1.2
95.04978	5.4
95.08624	10.5
97.02888	2.4
97.06525	2.8
97.10177	22.1
105.07032	10.9
107.04938	4.1
107.08608	16.1
107.46394	1.3
107.98792	1.3
109.02850	1.3
109.10166	7.6
117.07021	6.0
119.08602	8.7
120.87598	1.2
121.06509	3.1
121.10159	4.9
123.08076	4.8
123.11714	1.4
125.09644	24.5
129.07089	2.7
130.07825	1.7
131.08575	5.2
133.06511	3.4
133.10091	3.0
135.08072	5.2
135.11713	1.5
137.06009	1.5
137.09599	2.0
143.08502	2.2
145.10168	5.1
147.08047	4.2
147.11682	2.9
153.09175	3.3
157.10181	2.3
157.12251	1.5
159.11711	2.6
161.09618	2.9
163.11198	2.4
165.09116	4.8
175.11249	1.4
189.12881	1.6
193.10344	1.2
203.12794	8.0
217.12311	1.3
223.13295	8.4
223.80466	1.4
273.18512	10.2
290.14157	1.3
291.19583	100.0
305.21103	24.6
323.22321	5.0
323.27728	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	323.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
55.01881	2.7
55.05507	5.9
57.07076	10.2
59.04996	3.2
63.41768	1.5
67.05506	13.5
69.03435	100.0
69.07075	11.9
71.08588	1.5
71.50509	1.6
71.50920	1.5
72.37474	1.4
79.05502	12.1
81.03409	3.6
81.07063	98.7
83.04985	3.3
83.08589	2.1
85.02902	5.9
85.06528	2.6
91.05485	7.3
93.07051	18.1
95.04982	5.9
95.08615	62.2
97.06532	4.5
98.04037	1.4
105.07018	8.3
107.04964	2.9
107.08607	14.3
109.06516	6.2
109.10163	12.8
111.04459	5.4
111.08076	5.0
115.05479	1.6
117.07012	4.0
119.08580	8.4
121.06552	3.8
121.10155	12.3
123.08070	4.4
123.11724	4.2
125.09659	1.8
127.07571	2.7
128.06189	1.7
129.07019	1.6
131.05040	1.9
131.08603	4.2
133.06512	1.6
133.10130	7.4
135.08075	6.7
135.11717	8.7
137.05957	3.4
137.08551	1.9
137.09631	71.1
137.13260	94.7
139.07533	7.8
139.11191	4.5
143.08537	2.4
145.10103	3.3
147.11703	4.2
149.06000	2.1
149.09637	4.0
149.13213	2.4
151.11197	3.8
153.12729	3.6
157.10168	2.2
159.08138	1.5
159.11717	4.2
161.05922	1.7
165.12758	22.3
173.08311	3.5
173.09636	2.0
173.13268	2.0
174.08676	2.0
175.07559	1.6
177.12755	8.7
177.14059	1.5
179.04037	1.4
180.04506	2.1
181.05186	1.5
189.09238	1.9
195.13824	90.0
199.07585	2.3
201.12810	3.3
206.06165	2.4
207.06705	5.8
213.09116	2.2
215.10626	1.6
221.08113	2.3
245.15439	5.1
247.09787	4.2
249.11511	2.0
263.16470	28.1
265.10858	1.7
287.13058	1.5
295.16965	2.9
305.14090	8.5
305.17328	2.7
323.15292	10.7
323.18561	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	323.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	23.5
55.01873	10.1
55.05511	15.1
59.05003	12.6
60.80338	5.6
61.02922	17.3
65.03930	7.8
67.05494	28.4
69.03433	22.3
69.07056	22.8
69.28316	24.2
69.28743	27.0
71.04972	10.6
79.05501	71.1
81.03422	14.0
81.07059	39.0
83.04984	14.5
83.40464	5.9
85.02905	12.2
85.06535	20.9
91.05484	55.7
93.07053	42.6
95.04972	34.6
95.08607	20.5
97.02893	24.2
97.06517	16.6
98.21574	11.8
99.04432	17.3
103.05421	7.0
105.05457	5.4
105.07031	57.9
106.04155	6.3
107.04976	43.5
107.08620	39.8
108.68915	5.2
109.02872	6.3
109.06516	19.1
109.10130	10.3
111.04456	6.7
111.08088	73.4
113.06026	12.3
115.05443	30.6
117.03394	61.6
117.07021	38.2
119.04924	12.0
119.08604	21.8
121.06504	53.0
121.10159	24.4
123.04461	9.1
123.08080	9.2
123.11668	8.5
128.06238	44.4
129.06985	45.9
131.04936	9.3
131.08554	29.4
133.06503	19.7
133.10172	9.6
135.04431	43.5
135.08043	23.6
135.11734	8.8
137.05998	20.4
137.09608	6.3
139.07591	7.3
141.07014	50.1
142.07779	49.9
143.08617	53.8
145.06488	33.5
145.10146	31.1
147.04436	12.7
149.05991	26.1
149.09621	8.8
151.07588	8.2
152.06250	14.6
153.05470	6.9
153.07007	17.9
154.07672	9.4
155.08569	15.7
157.06509	12.2
157.10117	60.6
158.07278	11.3
159.08054	53.9
161.05988	27.9
161.09650	10.3
163.03905	8.9
163.11165	48.5
165.06978	12.1
166.07797	6.9
167.08533	41.8
169.06432	33.9
169.10103	10.6
170.07257	26.8
171.08028	36.1
173.06003	16.9
173.09607	15.8
175.07576	10.9
177.05344	10.0
177.09120	23.4
183.08052	14.1
184.08893	19.6
185.09624	100.0
187.07549	72.7
189.09047	10.8
191.10625	39.7
195.08093	21.1
197.05969	29.9
198.06757	9.2
199.07538	24.1
199.11221	7.0
201.08972	8.2
203.08722	8.2
203.10690	13.2
205.08545	13.6
213.09125	90.2
215.07054	26.8
217.08728	9.5
217.12225	6.4
219.10101	7.3
227.10646	11.4
229.08597	12.9
231.10190	23.8
241.08591	48.4
245.11708	14.4
247.09711	14.5
248.08325	7.0
255.10092	9.4
259.09799	12.4
273.11267	28.2
291.09729	9.2
291.12619	13.0
305.13815	7.4
323.12704	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	323.1275
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
53.03945	2.6
55.01868	2.6
55.05503	2.9
56.79712	0.8
57.03445	0.9
59.04994	1.0
65.03950	0.7
67.05506	4.2
69.03429	8.0
69.07042	1.8
69.71752	3.2
69.72158	1.5
71.04990	4.2
74.82253	0.8
79.05492	12.8
81.03407	1.1
81.07053	7.3
83.04986	2.0
87.04459	2.2
91.05479	13.4
93.07050	25.7
93.07643	1.5
94.04174	2.1
95.04979	4.8
95.08599	2.6
97.02912	1.7
97.06534	1.9
97.68485	0.8
99.04482	2.3
102.04700	0.9
103.05449	3.4
105.04525	1.2
105.07033	35.2
107.04961	3.3
107.08598	18.2
109.06504	6.5
109.10169	1.9
111.08103	1.1
115.03931	2.6
115.05468	6.4
117.07000	4.1
118.04157	1.4
119.04910	1.0
119.08582	10.4
121.06509	26.0
121.10133	9.6
122.03636	3.4
127.07548	0.8
128.06209	2.6
130.04123	0.9
130.07758	2.6
131.04930	2.2
131.08594	2.3
133.06506	7.4
133.10045	0.8
135.04362	0.9
135.08063	16.5
135.11699	7.4
137.05981	44.5
139.05426	1.4
141.06946	1.2
143.04987	0.9
143.06061	0.8
143.08618	1.2
145.06596	0.8
145.10126	22.0
146.03639	7.9
147.04437	1.7
147.08006	2.0
147.11694	3.7
149.05966	3.0
149.09644	4.2
151.07439	0.7
153.06860	0.8
156.05692	1.4
159.08089	1.3
161.05992	67.7
162.06778	4.0
163.11183	48.5
165.06949	0.8
167.04977	1.3
171.06572	1.2
171.08037	2.8
173.09618	5.6
175.07487	1.8
177.05457	1.1
177.06950	1.1
181.06519	1.4
184.05231	2.3
187.07547	0.8
189.07089	2.3
190.07777	1.0
191.08638	5.9
191.10666	47.1
192.09302	3.7
199.07570	17.7
201.07535	2.5
202.07784	22.7
202.09186	0.6
203.08562	35.5
204.09270	2.5
205.06540	4.1
206.07368	0.7
209.11783	2.1
213.06992	1.7
215.08626	2.2
217.06772	1.0
217.09985	0.8
218.07257	1.4
219.08058	11.9
220.08813	12.4
221.05992	1.0
221.09518	1.7
230.07295	4.7
231.08055	55.6
232.08826	8.9
233.06001	1.3
233.09859	0.7
234.06705	1.5
235.07520	1.6
235.11269	2.8
237.09090	2.4
243.08087	1.2
245.09639	1.8
247.07588	10.7
248.08344	30.3
249.09081	2.6
258.06772	3.7
259.07550	39.5
260.08328	24.0
261.09052	2.4
262.06409	0.8
262.09857	1.7
263.07779	1.3
263.10699	24.7
265.08621	4.2
273.09167	1.3
274.09882	0.8
275.07083	4.5
276.07819	19.0
277.08545	7.2
277.11450	0.7
277.14349	4.8
279.10345	0.9
282.67181	0.7
290.09161	1.1
291.10156	100.0
292.10794	7.5
293.08060	7.2
295.09860	1.3
295.12976	4.8
305.14209	0.9
308.10400	6.1
323.12665	69.8
324.13037	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2425
Annotation	(Z,Z,E)-10-Hydroxy-2,6,10-trimethyl-2,6,11-dodecatrienyl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
52.89082	3.2
53.03937	3.7
53.88418	4.0
53.99281	3.3
55.05511	67.4
57.07044	4.4
57.10430	3.5
65.20988	4.2
65.41015	3.9
67.05504	31.3
69.07059	7.2
69.93920	14.4
71.04981	4.9
79.05488	16.6
81.07057	26.6
83.04982	73.1
83.08599	9.4
85.06517	4.1
89.18785	3.5
91.05480	15.5
93.07061	23.1
95.08609	87.7
97.06562	3.8
98.15186	3.4
105.07034	30.2
107.08611	52.2
109.09465	7.0
109.10163	78.5
119.08562	38.0
121.10158	47.9
123.11725	10.9
128.42012	3.4
128.58701	4.2
133.10124	32.7
135.11693	12.3
140.00313	3.7
140.39955	3.4
147.11693	40.0
161.12170	3.6
161.13278	27.8
163.14819	38.7
172.39221	3.9
175.14796	11.4
203.17950	100.0
221.18958	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	322.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17039	2.2
55.05502	5.7
57.03427	2.5
57.07077	2.4
59.04980	3.7
65.38370	1.7
67.05492	6.0
69.03431	14.7
69.07081	2.5
69.48865	7.0
69.49297	7.2
77.84953	1.9
79.05481	2.3
81.07076	16.2
85.06536	5.5
91.05470	3.6
91.11722	1.7
92.65919	1.9
93.07034	2.6
95.08630	11.5
98.00610	3.9
105.07052	3.0
107.08577	4.2
108.08993	1.8
119.08532	3.1
121.06581	2.3
121.10159	2.3
123.08071	3.7
123.11711	1.8
124.08418	5.1
125.09634	3.3
126.93396	1.9
137.05989	9.3
137.09651	7.1
137.13292	10.7
146.06003	7.8
147.06821	19.4
151.07571	9.4
152.07904	10.3
159.08122	2.8
160.07590	8.1
165.12796	2.8
172.07585	5.0
173.08391	31.4
174.09155	7.1
178.03264	2.8
179.04007	28.8
180.04810	26.2
184.07571	3.2
186.09151	3.4
187.09927	3.0
189.12874	2.3
191.03970	2.9
192.04828	14.9
195.13795	11.1
197.08284	3.0
198.09157	15.5
199.09964	2.4
200.10703	2.6
203.03944	3.4
204.04773	4.2
205.05571	5.8
206.06369	70.2
207.13882	2.5
208.07986	2.7
208.14133	8.4
211.10014	2.7
213.11436	10.4
216.04820	2.8
217.05577	5.9
218.06398	9.9
219.07112	2.4
220.07918	19.4
230.06432	3.6
232.07950	17.1
234.09453	4.9
238.12271	3.0
246.09500	36.2
247.10069	2.0
248.11046	27.0
250.09041	4.2
256.08051	2.3
258.09650	2.3
262.09079	2.6
264.10583	21.1
271.10382	2.5
274.12503	3.5
284.11148	2.0
286.12585	18.5
292.13654	12.4
304.13675	62.3
322.14734	100.0
322.20926	6.7
323.18594	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	322.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.05507	3.8
55.78794	0.6
57.07077	2.1
58.91391	0.7
60.04531	1.6
62.06092	100.0
64.14665	0.7
66.55875	0.6
67.05505	18.3
69.07072	3.0
70.02961	0.9
71.09983	1.1
75.07922	0.5
79.05499	12.6
79.89639	0.6
81.07059	19.2
81.07531	1.1
83.04967	0.5
83.08632	2.5
85.06582	1.3
87.53867	0.5
91.05482	5.9
93.07051	15.0
95.04963	0.6
95.08614	17.2
97.06513	0.6
97.10161	0.8
98.06068	0.8
99.04459	1.0
99.08155	0.8
105.07017	3.7
107.08592	7.9
109.06582	0.8
109.10178	5.0
111.08065	0.7
117.07077	1.8
119.08616	2.4
120.38610	0.6
121.10147	7.3
123.11735	2.6
130.08675	0.8
131.08598	3.2
133.10156	1.8
135.08154	0.8
135.11697	3.6
137.13329	0.9
140.03815	3.3
144.10216	0.9
145.10159	2.7
147.11748	2.0
149.13295	2.2
151.14854	0.9
158.11867	0.8
159.11703	1.7
161.13318	1.5
163.11119	0.7
163.14879	1.8
172.13419	1.6
173.13290	1.4
175.14919	0.8
177.16452	2.5
186.15022	0.9
187.14746	0.7
200.16583	0.9
238.18140	0.9
243.21063	4.7
259.81155	0.8
261.22150	6.5
304.01886	0.7
304.26477	2.1
305.24872	2.5
322.24133	0.8
322.27438	18.0
322.31033	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14506	0.7
55.01869	0.6
55.05503	1.0
60.04519	0.7
60.82351	0.5
67.05518	1.1
69.41840	5.1
71.04986	0.8
77.03920	0.7
79.05501	1.6
81.07063	1.1
86.09711	97.2
91.05492	1.8
93.07055	4.1
95.04975	0.7
95.08601	1.6
97.06534	0.9
98.21471	1.4
103.05459	4.1
105.07040	5.4
107.04964	2.0
107.08609	2.2
109.06525	0.9
117.07122	0.8
119.08596	2.8
120.08114	100.0
121.06509	0.8
121.08408	1.2
121.10188	1.0
128.10727	44.8
131.04935	2.7
133.10144	2.8
141.05481	1.6
143.08565	1.0
145.10141	1.1
147.11685	5.0
149.05968	1.3
156.10201	13.6
157.10135	1.1
160.27962	0.7
161.09648	1.4
161.13268	1.3
166.08656	51.2
167.79837	0.8
171.11646	0.9
173.09647	0.8
189.12746	1.2
199.11310	0.8
217.12271	1.9
303.16135	0.8
321.16989	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2063
Annotation	(plusmn)alpha-CMBHC
Peak:m/z	Relative Intensity
52.89773	2.6
53.03942	3.7
55.01890	3.4
55.05504	9.5
56.96538	3.3
57.03421	2.8
61.02899	4.8
65.03946	3.0
67.05507	19.7
69.06510	2.9
69.07059	9.9
70.46274	10.6
75.88341	2.7
79.05501	30.7
81.07061	58.4
83.04984	4.5
83.08608	7.6
85.06516	4.5
85.79782	3.0
91.05482	18.9
93.07046	52.6
95.04962	8.0
95.08611	87.9
97.06523	9.2
97.10148	10.6
98.21394	3.6
98.97580	2.9
105.07043	30.9
107.08599	65.6
109.06512	4.1
109.10148	26.7
111.08083	3.3
111.11720	5.3
117.07046	7.9
119.08583	30.1
121.06500	4.7
121.10152	51.2
122.26944	2.7
123.08066	5.3
123.11695	11.0
131.08557	11.8
133.06517	4.1
133.10144	41.4
135.08087	6.1
135.11705	31.9
139.07523	8.1
139.11160	9.3
143.08551	7.9
143.45767	3.5
145.10126	25.9
147.08003	3.2
147.11681	13.1
149.06050	3.3
149.09616	16.4
149.13274	9.8
150.55544	3.1
151.07578	5.6
151.11119	3.6
153.08998	3.6
157.10126	9.7
159.11696	32.9
161.09601	5.5
161.13242	9.8
165.09004	5.1
167.10683	13.8
169.10124	3.8
171.11656	4.5
173.13206	10.5
175.11194	9.2
177.09161	2.8
179.10699	17.2
183.11725	4.7
187.14722	3.2
191.10707	3.4
193.12306	20.0
197.13342	4.0
199.14824	3.2
205.12283	4.5
213.16412	10.4
215.17964	100.0
216.18410	4.5
219.13889	4.7
225.08852	3.2
225.16386	4.5
229.19467	9.4
239.17850	14.2
243.17566	28.3
257.19012	42.2
259.17239	3.1
261.18512	60.7
275.20087	99.7
276.20370	3.8
285.18521	30.8
285.21713	4.3
288.48740	2.9
293.15808	2.8
303.19565	35.9
321.20792	30.3
321.24307	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16367	0.7
67.05511	9.6
69.56709	5.4
81.07071	1.2
91.05470	2.3
93.07040	1.6
94.06570	8.3
95.04918	0.9
95.08601	0.8
98.21494	1.3
121.02897	0.8
122.05178	1.4
122.06041	29.8
136.07591	59.9
145.06508	0.9
151.03888	1.0
164.07080	100.0
165.07361	0.8
172.68195	0.8
180.00282	0.8
182.08142	66.9
243.11200	1.0
261.09113	0.9
278.98154	0.8
285.12219	1.0
286.10638	1.5
289.08527	1.5
303.13287	2.3
304.11707	1.1
321.10959	4.1
321.14474	1.1
340.42413	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1449
Annotation	Formylfusarochromanone
Peak:m/z	Relative Intensity
51.49823	1.0
64.20464	1.2
65.03899	1.6
67.05510	8.9
70.74370	1.7
70.74707	2.9
74.60410	1.2
79.05495	2.5
81.03459	1.1
93.07034	2.2
94.06584	10.4
95.04968	5.3
95.07342	1.3
98.06115	1.4
103.05492	1.5
107.07333	1.6
108.08122	8.4
110.06011	3.1
110.09693	2.7
119.07365	2.0
120.08113	6.0
122.06042	9.2
123.06826	1.6
134.06003	2.0
136.07628	7.3
137.08421	1.3
138.05511	26.1
138.09137	4.7
144.08086	2.8
146.08418	1.5
148.07568	7.4
156.06601	8.0
156.07793	1.7
158.09702	3.4
160.11201	1.5
166.08670	9.7
168.08156	1.5
169.08893	1.5
173.07144	1.6
174.07878	4.6
181.08836	2.8
182.08269	1.5
183.09251	1.9
184.11276	2.9
185.07076	1.3
186.09148	2.9
187.09981	2.3
189.10275	6.4
194.09755	3.2
195.09219	4.2
196.09921	13.2
197.10675	3.0
199.08734	1.6
200.07104	1.5
201.10214	2.8
202.08653	4.5
202.11002	4.2
202.12575	1.8
203.11861	3.2
206.08424	27.0
209.07117	2.7
209.10822	2.3
210.11707	2.0
211.08635	2.1
211.12302	14.8
212.10727	4.5
214.08646	5.3
215.09541	7.3
215.11440	2.1
220.09950	3.6
221.10741	12.7
221.12733	2.3
223.08675	10.2
224.09489	11.0
225.10181	1.9
227.08110	7.3
227.11792	2.6
229.13507	1.6
230.11771	4.9
232.09799	3.0
233.10382	1.9
237.10049	6.3
238.11053	10.8
239.08102	3.1
239.11797	31.9
240.10164	1.6
241.09808	3.5
243.11237	2.5
244.12082	4.8
252.08929	2.1
254.10558	2.9
257.12836	13.7
258.11279	8.4
262.13187	2.6
267.11325	62.4
272.11563	4.3
274.55884	1.3
275.13983	7.5
276.12347	12.7
285.12350	100.0
290.12546	3.4
303.13409	57.0
304.11673	7.8
321.14478	27.4
338.32050	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62357	1.1
55.01873	1.5
67.05512	11.4
68.99766	1.3
69.03448	1.1
69.58841	7.8
79.05478	2.5
81.07050	2.3
83.04964	1.8
91.05492	3.1
92.05888	1.3
93.07026	3.0
94.06565	14.6
95.04970	2.0
97.06477	1.8
105.07014	2.7
109.06548	1.4
109.10184	1.3
119.04926	1.7
119.08587	1.5
122.06039	39.8
124.07597	1.4
129.71176	1.1
131.05070	1.4
136.07584	63.2
146.06010	1.5
147.04427	5.6
150.05476	2.9
151.03806	2.7
161.05931	1.8
161.09619	2.1
164.07079	100.0
166.83333	1.1
168.06557	1.6
175.07509	2.6
176.80629	1.1
182.08148	71.4
198.09235	2.2
217.08650	1.4
218.07372	1.5
243.11337	3.4
246.01427	1.1
246.06807	1.6
257.12936	1.7
258.11392	1.4
261.03912	1.6
261.09186	4.0
278.09262	1.6
285.12302	5.5
286.10669	2.7
289.08643	4.8
303.13467	8.6
304.11786	3.2
306.08740	2.3
321.10895	6.7
321.14371	5.4
321.17847	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.095
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73943	1.4
69.24711	5.2
69.25137	6.6
82.99811	1.3
94.93024	4.2
98.21249	6.2
101.00902	12.0
112.89589	2.7
113.00881	4.4
119.01922	12.1
119.92523	33.2
131.01903	13.0
133.03439	4.5
139.02425	1.6
143.01923	5.0
145.03450	3.0
149.02956	2.5
155.01917	15.8
157.03496	3.1
161.02956	4.3
164.93567	2.2
167.01781	1.6
173.02966	33.5
177.02443	4.2
183.01482	2.2
185.02969	4.5
199.29671	1.5
201.02458	67.9
201.07774	3.8
203.04027	4.7
213.02472	10.8
219.03513	100.0
220.03970	1.3
221.05112	6.2
231.03548	11.0
232.90184	3.7
237.04495	2.3
239.06073	7.4
242.05124	1.7
243.03372	1.8
249.04633	7.0
261.04596	5.7
279.09222	1.5
320.36426	1.7
320.98550	5.1
321.06335	18.4
321.10144	8.8
322.05780	2.2
339.07864	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	307.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17466	0.3
53.03936	0.6
55.01866	0.5
55.05514	8.9
57.03426	1.2
57.07067	0.3
65.03909	0.4
67.05502	2.2
69.03416	0.6
69.07069	2.3
71.04971	0.9
71.51135	0.6
78.51714	0.4
79.05491	4.2
81.03403	0.3
81.07056	2.9
83.04981	9.4
83.08632	0.8
87.04468	0.3
88.07632	0.4
91.05480	3.4
93.07048	3.7
95.04961	1.6
95.08607	2.2
97.06532	17.7
97.10152	0.8
98.98479	0.4
103.05476	0.9
105.07044	2.1
107.04961	1.8
107.08575	1.4
109.06515	0.6
109.10159	1.4
111.08078	0.4
117.07001	1.0
119.08575	1.5
120.75381	0.3
121.02842	1.2
121.06504	3.6
121.10110	1.2
123.08076	0.7
123.11694	0.6
125.09626	0.6
127.07639	0.4
127.11184	0.8
129.06984	0.5
131.04955	0.5
131.08528	1.0
133.06485	0.6
133.10089	1.2
135.04443	0.3
135.08058	1.6
135.11717	0.4
137.05943	0.6
137.09630	0.6
141.07031	0.4
142.07774	0.4
143.08548	0.7
145.10110	1.2
146.03606	0.9
147.04346	0.4
147.08066	0.6
147.11772	0.4
149.00555	0.6
149.06018	0.5
149.09627	1.0
149.13216	0.4
151.02156	0.4
151.07539	0.9
152.06215	4.5
157.10168	0.5
159.08069	0.6
161.09584	0.6
163.07523	1.2
163.11237	0.5
165.06953	2.0
166.07814	0.8
167.08565	5.9
169.10120	0.4
173.09528	0.5
177.05434	0.5
177.06996	0.8
177.09119	0.7
178.06245	2.2
179.01677	2.1
181.03191	0.7
181.06448	0.4
189.09105	0.4
191.10681	0.4
193.03233	0.4
194.07179	0.8
195.08064	16.4
203.08617	0.8
207.04762	1.5
209.02618	0.6
209.05925	0.8
211.04211	4.6
217.09979	0.4
218.07378	0.5
218.10950	0.7
219.13911	0.4
221.02652	0.7
223.07544	100.0
224.07896	1.4
227.08440	0.5
231.08076	1.2
232.08760	0.7
233.13298	0.6
233.15387	0.7
235.07742	0.5
237.09126	0.5
241.08624	8.8
243.11705	0.5
243.17410	0.5
246.10437	2.7
247.11201	0.7
251.07176	2.0
256.09027	0.5
259.07410	0.4
261.12759	1.2
261.18475	0.5
263.07410	2.5
271.11124	0.4
271.17093	0.8
274.12216	0.5
279.13828	1.1
280.18781	0.4
283.71753	0.4
289.12259	3.4
289.17828	3.4
307.09891	1.9
307.13345	11.8
307.15585	2.2
307.19159	1.4
307.26691	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	2.6
58.99866	1.4
62.73308	0.9
70.99854	2.4
71.11660	2.0
75.30386	0.9
77.00890	2.8
77.29768	0.9
82.99858	3.3
85.01417	1.3
89.00902	4.2
94.99838	1.7
97.01379	1.0
98.97591	2.5
101.00890	20.8
113.00880	11.4
115.02428	2.4
116.98637	1.0
119.01936	13.8
127.02411	3.9
131.01912	15.6
133.03465	3.2
135.01453	1.0
139.02396	4.6
143.01910	9.0
145.03471	5.3
149.02948	1.4
155.01907	23.3
157.03526	9.8
158.99577	1.1
159.01378	2.0
159.04955	1.7
161.02960	6.9
167.01857	2.2
173.02972	31.0
174.03102	1.4
175.04547	1.3
177.00851	1.0
177.02464	4.8
183.01459	6.3
185.03029	9.5
187.00920	1.1
191.04025	1.1
195.01436	1.3
201.02467	89.6
202.02548	2.0
203.04059	9.6
213.02469	16.5
219.03540	100.0
221.05089	23.2
231.03535	12.6
237.04662	2.1
239.06149	21.3
242.05064	1.2
243.03482	3.0
247.03014	2.4
249.04588	6.5
261.04599	6.7
261.07898	1.8
275.06082	4.7
279.05795	2.1
279.09085	1.1
289.04443	1.1
291.05618	1.1
298.18698	1.1
303.05740	7.0
321.06683	52.6
322.06229	1.5
339.07700	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	321.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35343	0.7
58.73119	0.7
64.11817	0.8
69.23740	1.6
69.24134	6.6
70.99852	1.0
77.00924	1.1
82.99863	2.8
86.99345	1.0
94.93022	2.2
94.99847	1.1
98.97586	0.9
101.00278	1.6
101.00886	14.1
101.01517	1.5
105.00402	1.0
113.00871	8.1
115.02427	3.0
119.01927	12.5
119.92517	5.0
121.20605	0.8
125.00852	1.4
127.02415	1.4
131.01924	16.1
133.03464	4.1
139.02411	1.1
143.01915	6.6
145.03433	2.6
149.02943	1.4
155.01892	18.2
157.03448	3.9
158.99628	1.7
159.01331	1.9
161.02982	4.0
167.01854	1.5
173.02965	29.7
175.04507	3.5
177.02437	2.9
183.01422	4.0
185.02980	4.9
187.00803	1.2
191.04054	1.3
201.02457	74.7
201.07605	1.6
202.02650	1.5
203.04004	4.5
213.02460	15.1
217.05550	0.8
219.03516	100.0
220.03743	1.8
221.05116	8.0
231.03516	14.0
237.04575	3.5
239.06119	6.8
242.05058	1.6
243.03592	1.5
249.04579	6.2
261.04614	4.6
273.04825	1.0
279.05826	1.6
284.33899	0.8
303.05585	2.3
321.06668	20.5
321.09711	1.3
321.12842	1.1
339.07623	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2272
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
50.72673	3.4
53.03954	8.2
55.01873	4.1
55.05525	17.6
56.96557	4.8
57.07066	4.6
57.44381	3.2
59.04999	5.8
67.05513	49.4
69.03430	8.1
69.07071	36.5
69.13885	17.4
69.14306	21.1
70.06574	3.4
71.05007	16.9
79.05505	39.5
81.07069	100.0
83.04969	14.4
83.08621	10.7
85.06547	20.3
91.05492	52.6
93.07050	69.5
95.04987	19.3
95.08615	65.3
97.06560	22.9
97.10182	5.9
98.20710	6.7
99.08101	8.6
105.07043	70.1
107.04978	4.1
107.08600	49.5
109.06525	15.5
109.10171	28.6
111.04451	5.5
111.08088	13.3
115.05509	7.5
117.07030	24.4
117.51588	3.9
119.08603	41.1
121.06499	15.4
121.10178	25.4
123.08080	14.0
123.11748	5.6
125.09656	8.3
125.36693	3.9
127.11195	13.6
128.06296	3.8
129.07011	13.9
131.08577	55.6
133.06534	5.6
133.10135	48.8
135.08066	12.3
135.11690	22.0
137.09579	6.6
139.07458	4.2
139.11198	3.8
141.06975	4.8
143.08572	27.7
145.06435	4.8
145.10139	51.9
147.08101	13.9
147.11699	23.6
149.09625	11.5
149.13287	9.6
151.07570	7.6
155.08540	8.6
156.09329	4.6
157.10143	29.0
159.08032	4.6
159.11693	33.3
161.09792	7.7
161.13277	22.7
163.07518	6.9
163.11128	5.6
167.08592	5.5
169.10158	13.8
171.08034	4.1
171.11740	30.3
173.09634	6.9
173.13275	22.1
175.07513	7.3
175.11235	7.1
175.14825	6.2
177.09088	4.7
177.12802	7.9
179.10695	7.5
181.10159	7.4
183.11757	7.8
185.09622	6.3
185.13249	13.6
187.11148	6.9
187.14801	14.7
189.12737	12.7
191.10664	15.4
191.14305	14.2
193.12199	3.6
197.13342	14.6
199.14839	12.8
203.10678	8.0
203.14250	5.9
209.13275	5.6
213.16457	5.8
215.14413	17.4
217.12427	5.5
217.16023	4.6
219.06567	11.3
219.13815	3.9
220.07303	6.6
223.14801	7.4
225.16356	5.5
227.10675	4.6
227.17934	31.3
229.19414	5.1
231.10110	4.5
233.15327	4.7
237.16498	5.4
239.17915	4.1
241.15730	4.4
243.13756	8.4
243.17477	8.5
245.08022	4.6
245.15271	3.9
255.17438	6.6
255.21059	12.5
257.18958	4.7
259.13391	4.4
259.16925	8.9
265.19568	8.3
271.20703	5.5
273.18497	41.0
273.22128	10.4
283.17557	5.9
283.20590	23.2
301.17975	8.2
301.21634	44.3
319.15363	39.5
319.18979	61.8
319.22681	44.5
319.30347	8.7
320.19553	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	320.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08959	3.3
52.88710	3.4
53.13705	3.5
55.01854	4.1
55.18969	3.2
55.93517	10.5
56.05020	5.4
56.96572	22.7
58.56079	3.4
60.04520	11.8
67.05509	6.0
69.03416	10.7
69.07077	18.0
69.48251	26.1
70.06595	37.3
72.08144	5.9
72.93775	8.5
73.15306	3.6
74.06068	6.3
81.03391	8.7
84.04500	5.5
84.08148	22.4
85.02897	14.0
86.09707	31.9
86.93365	3.6
90.94817	7.3
91.05479	5.1
94.06525	9.4
95.04964	10.5
96.04482	10.6
96.08101	5.7
97.02886	16.3
98.06069	18.4
98.97556	18.8
102.05541	5.8
104.05314	4.8
112.07592	20.9
113.05990	6.5
114.05525	27.7
116.07029	3.7
116.98576	7.7
119.01852	6.8
119.10368	3.7
120.08113	5.7
122.06084	4.7
122.66495	3.8
123.04420	21.1
127.03978	4.6
128.98634	3.4
129.10216	4.4
130.08614	6.3
132.95882	4.3
138.09138	13.6
140.07074	70.8
157.07558	6.2
158.06104	4.1
158.08125	100.0
158.99626	6.6
173.12848	24.1
191.96999	4.6
200.09059	5.1
201.12344	6.1
218.02437	7.9
232.03938	4.9
234.99028	7.8
237.02777	6.7
238.05612	4.8
239.18802	3.9
258.13318	9.2
274.05606	5.6
292.06577	6.7
302.12238	7.1
307.84723	3.6
320.05484	7.0
320.13531	8.9
321.09332	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2271
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
53.03935	3.2
53.89448	2.8
55.05507	12.4
65.03966	3.8
65.31162	3.2
67.05505	30.4
69.07058	12.0
69.32989	8.2
69.33401	16.9
70.06598	3.2
71.04996	7.2
72.44084	3.3
79.05499	26.8
81.07063	56.7
83.08627	6.4
88.07656	4.4
88.88496	3.1
91.05476	29.7
93.07047	51.3
95.05002	3.3
95.08617	81.3
97.06526	6.1
100.82487	3.0
105.07042	57.2
107.08598	45.6
108.89285	2.7
109.06501	4.0
109.10162	58.4
111.08025	4.4
111.11720	3.6
117.07042	4.6
119.08587	32.6
121.09325	4.3
121.10158	52.7
123.08057	3.1
123.11739	16.3
125.09638	8.3
127.11201	12.3
129.06984	3.3
131.08592	16.1
133.10143	60.7
135.11687	35.8
137.09599	3.5
137.13191	4.1
139.11212	16.8
142.65601	3.1
143.08546	10.6
145.10129	26.0
147.11693	61.5
149.13312	22.6
151.11157	10.0
157.10141	6.8
159.11694	27.9
161.13275	19.9
163.11159	5.1
163.14841	7.4
165.12761	10.5
171.11670	8.3
173.13313	16.2
175.14824	10.4
179.10747	21.1
185.13216	5.5
187.14812	4.8
191.14299	4.0
193.12228	11.0
199.14862	19.1
205.12268	8.0
207.13875	5.3
212.17926	3.3
213.16342	9.6
215.17961	6.2
227.17943	7.5
231.21063	3.7
231.64864	3.9
239.66948	2.7
243.21022	6.1
245.22667	10.8
255.21124	82.2
257.26541	6.2
265.19382	3.8
271.20496	4.4
273.22147	100.0
274.22775	3.1
283.20517	15.7
289.21521	3.0
301.21616	69.7
319.19235	6.3
319.22717	58.9
319.26443	6.6
319.30148	18.8
321.23428	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.227
Annotation	12(S)-HEPE
Peak:m/z	Relative Intensity
53.03933	7.9
55.01867	5.6
55.05508	18.1
59.09801	4.4
63.02350	3.6
64.41623	3.7
67.05508	54.8
69.03418	5.4
69.07082	25.4
70.24453	14.5
79.05499	56.8
81.07066	100.0
83.05004	20.7
83.08630	7.0
85.06526	4.1
90.03495	3.3
91.05490	60.3
93.07056	69.5
95.04984	18.2
95.08614	65.0
97.06554	42.6
97.10206	4.3
103.05529	4.1
105.07032	74.5
107.04949	6.5
107.08623	45.6
108.76330	4.2
109.06511	21.6
109.10167	36.6
111.08088	14.4
115.05489	7.2
117.07016	26.6
118.66512	3.7
119.08588	58.9
121.06486	5.9
121.10168	34.7
123.04501	4.6
123.08067	6.8
123.11718	4.2
125.05988	15.3
125.09622	5.7
127.07550	3.5
128.06235	7.6
129.06995	14.6
131.08571	38.1
133.10133	64.3
135.08084	6.4
135.11687	49.8
137.09547	6.4
141.06993	9.3
142.07803	4.3
143.08562	20.2
145.10130	36.0
147.08047	5.7
147.11708	36.9
149.09639	14.5
149.13245	8.7
151.11153	6.6
155.08562	14.2
157.10187	20.4
159.11720	27.4
161.13263	14.1
163.11169	7.8
163.14861	7.1
167.08562	7.7
167.10718	5.7
169.10132	12.3
171.11697	16.4
173.09575	3.7
173.13297	20.2
175.11334	4.0
175.14874	32.9
177.12700	7.0
181.10194	7.0
183.11713	9.5
185.13298	16.2
187.11287	4.8
187.14729	7.3
191.14334	4.7
193.15971	5.8
193.31744	3.6
195.11740	7.8
197.13281	12.9
199.14844	15.6
203.14278	8.1
209.13312	8.0
211.79799	4.6
213.16422	4.1
215.14317	4.9
215.17845	4.8
221.15445	5.0
223.14856	4.8
225.16364	20.4
227.14238	5.7
227.17889	6.9
237.16377	5.5
239.18124	3.5
243.17468	9.0
243.58324	3.5
251.02429	3.7
253.19569	7.0
255.17427	7.4
255.21085	18.2
265.19534	14.8
271.20575	7.9
273.18524	6.3
273.22046	7.9
283.20596	26.5
301.21655	35.9
319.15250	12.4
319.19025	7.4
319.22623	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	319.227
Annotation	(+/-)-12-hydroxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03934	6.3
55.05498	16.2
55.52544	4.7
62.08344	5.4
62.71128	5.8
67.05509	52.2
69.03425	7.7
69.07043	12.7
70.40095	7.1
70.40445	16.2
71.05000	6.1
78.64168	5.0
79.05492	47.2
80.94221	5.3
81.06601	5.3
81.07064	97.8
83.04977	13.1
83.08617	16.1
91.05486	54.8
93.07054	81.3
95.04968	21.8
95.08611	72.3
97.06548	30.0
105.07038	100.0
107.04907	6.7
107.08610	60.3
109.02879	7.5
109.06510	17.4
109.10163	42.7
110.29945	4.8
111.08105	7.9
111.85349	5.3
115.05410	11.6
116.57616	6.1
117.07001	30.4
118.68339	4.9
119.08589	63.3
121.06544	6.6
121.10175	43.7
123.08134	5.5
125.06034	8.2
125.09620	11.8
129.07053	8.4
131.08582	92.7
133.06505	7.4
133.10156	48.5
135.08055	10.6
135.11699	50.4
137.09619	15.5
141.06946	7.3
142.07727	7.3
143.08524	23.9
145.10115	50.8
147.08075	5.4
147.11655	36.2
149.09599	12.8
149.13237	9.4
155.08540	8.0
157.10123	41.2
159.11720	47.0
161.13300	26.2
163.11092	7.5
169.10191	9.8
171.11751	29.9
173.13251	22.3
175.14880	13.1
183.11713	11.6
185.13289	17.5
187.14867	43.2
195.11658	5.3
197.13287	5.1
199.11070	6.0
199.14767	25.5
205.12070	5.3
205.15938	5.4
213.16438	7.4
215.14316	5.8
225.16263	8.0
227.17964	43.4
255.21083	93.3
265.19583	12.2
271.20370	6.3
273.22092	23.3
283.20602	35.4
301.18359	7.7
301.21677	99.0
319.09756	7.6
319.19373	7.9
319.22745	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2269
Annotation	19-HEPE
Peak:m/z	Relative Intensity
51.47678	2.8
55.05518	13.2
67.05510	18.9
69.03414	4.8
69.07063	6.7
71.41843	4.5
73.68037	3.0
79.05502	22.8
81.03414	3.0
81.07069	30.0
83.05003	6.4
83.08615	12.2
83.47803	3.0
85.02892	2.8
85.06532	2.7
91.05473	22.2
93.07047	37.8
95.04962	6.9
95.08621	41.3
97.06525	6.0
105.07042	47.5
107.04946	4.0
107.08606	40.9
109.06547	6.6
109.10192	20.8
111.08054	5.7
117.07033	10.4
119.08603	34.3
121.06543	4.7
121.10165	21.7
123.08069	7.1
123.11728	5.2
124.99079	2.8
125.09611	4.8
127.03935	4.3
129.07011	6.2
131.08578	44.5
131.83044	3.1
133.10139	11.8
135.08057	3.7
135.11736	10.8
136.07564	6.5
142.07735	3.4
143.08609	14.3
145.10139	26.7
147.08025	5.8
147.11674	20.2
149.13268	4.5
151.07550	6.4
154.04950	5.7
155.08633	4.0
157.10168	28.3
159.08018	3.1
159.11691	33.2
160.99208	3.4
161.09712	4.0
161.13271	20.2
171.11697	18.4
173.13272	15.7
174.25435	3.2
175.14815	4.2
179.17198	3.0
185.13300	11.0
187.14839	27.3
189.12839	3.3
197.13261	3.3
199.14864	15.1
205.15887	8.6
207.13780	3.8
207.32388	3.4
213.16431	9.2
215.14473	4.3
227.17915	35.1
231.17427	4.7
238.11964	3.2
241.09717	2.9
246.16103	3.1
255.21097	100.0
259.10754	10.1
259.16949	4.7
265.19583	5.4
265.71097	3.0
273.19049	5.0
273.22101	28.6
274.43738	3.2
283.20596	11.7
287.10294	11.1
301.11847	10.8
301.18420	4.1
301.21640	90.8
305.11359	11.5
319.09836	4.8
319.13199	9.9
319.19119	7.9
319.22696	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	319.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
67.18574	0.5
69.03514	0.4
69.57243	0.4
70.78766	0.4
70.79076	1.0
71.48178	0.4
138.26903	0.4
157.07664	0.9
157.08859	0.6
158.08400	0.5
166.48088	0.4
167.07436	0.4
169.56401	0.4
170.08557	0.6
171.09209	2.0
173.08464	0.5
174.09222	0.9
182.09901	0.4
183.09315	1.2
184.09921	2.4
194.08485	0.8
196.09953	0.5
197.07132	0.7
197.10739	0.5
198.07980	1.2
199.08650	2.2
199.12305	2.1
200.10883	1.4
209.10823	1.4
210.09340	0.8
210.11569	0.7
211.08667	2.2
212.09441	5.2
213.10257	3.2
222.07803	0.7
225.10268	3.9
226.11017	11.1
227.11812	14.2
228.10228	5.5
229.09831	0.8
237.10179	0.5
239.11832	0.5
240.09059	0.5
253.09850	0.6
254.10458	3.4
255.11316	10.9
257.09482	0.5
270.09995	18.3
271.10785	3.5
272.11591	14.0
273.12326	8.0
283.10785	10.3
301.11850	100.0
302.12213	1.9
319.12888	28.6
320.13138	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05297	2.3
55.05517	22.5
55.28497	2.2
55.44138	2.4
57.03424	6.1
57.07074	6.7
59.05001	3.1
67.05505	11.4
69.03434	4.9
69.07060	10.4
69.56752	5.9
69.57173	10.4
70.06582	13.4
71.04993	40.9
71.06912	3.3
71.08618	3.1
79.05495	10.3
81.07055	13.0
83.04971	2.8
83.08604	5.4
85.06554	5.2
86.47427	2.6
88.07644	18.4
89.07949	5.0
91.05476	9.2
91.57446	2.8
93.07042	8.0
95.08624	8.8
97.10178	21.3
97.22507	2.4
102.09197	13.0
103.09501	6.5
105.07032	14.5
107.08607	18.0
107.49181	2.4
109.06491	3.6
109.10163	13.2
117.07021	4.3
118.87878	2.6
119.08577	9.1
121.06500	10.7
121.10149	5.9
125.09608	6.4
127.11205	100.0
128.06227	3.1
131.08542	6.3
135.08072	5.4
135.11699	4.4
137.05975	9.0
142.07773	3.6
143.08588	4.1
145.06473	3.9
145.10147	8.8
146.14230	2.7
147.08035	6.9
147.11736	4.0
149.09598	4.6
155.08606	3.6
157.10172	3.8
158.07289	4.6
159.08037	7.5
159.11696	6.3
161.05922	2.6
161.09616	3.3
161.13206	3.2
163.07500	3.4
165.09229	5.1
171.07971	5.2
171.11678	4.6
172.08893	5.7
173.09685	12.9
173.13309	3.0
175.07541	7.8
175.11200	4.9
176.08322	2.9
177.09142	13.8
177.12752	2.4
181.10086	2.5
185.09604	3.5
185.13309	4.3
187.11259	4.3
189.09142	26.7
191.10670	10.1
193.08603	5.2
199.11182	3.1
201.12778	5.8
203.10696	32.2
207.10153	5.7
215.10730	21.5
217.12280	18.3
219.10213	8.2
221.11731	19.0
227.10718	21.2
229.12257	33.7
241.12244	14.3
245.11668	6.0
247.13390	2.7
255.21114	7.0
256.26456	10.2
257.26709	35.2
273.18463	8.8
273.22110	6.2
283.17038	17.8
283.19937	3.3
287.12915	6.0
287.51877	2.6
301.17999	12.4
301.21616	8.2
318.30063	7.9
319.15747	5.6
319.19064	10.6
319.22470	11.6
319.30383	88.8
319.34064	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	319.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44332	20.1
51.33528	18.7
53.63437	17.4
71.49187	20.6
74.09714	22.1
85.35441	18.5
89.16397	19.7
94.93022	100.0
95.85115	19.7
101.00922	42.6
119.01906	36.3
131.01888	29.2
133.03464	44.1
145.03510	38.3
161.03017	39.4
173.02997	30.3
210.07886	19.9
220.08559	41.1
232.93817	28.7
256.90192	35.4
259.03018	48.6
319.07846	81.1
319.12677	30.5
319.15906	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44332	20.1
51.33528	18.7
53.63437	17.4
71.49187	20.6
74.09714	22.1
85.35441	18.5
89.16397	19.7
94.93022	100.0
95.85115	19.7
101.00922	42.6
119.01906	36.3
131.01888	29.2
133.03464	44.1
145.03510	38.3
161.03017	39.4
173.02997	30.3
210.07886	19.9
220.08559	41.1
232.93817	28.7
256.90192	35.4
259.03018	48.6
319.07846	81.1
319.12677	30.5
319.15906	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43690	8.9
54.13943	9.8
55.01874	12.0
55.05488	11.6
56.05055	9.3
58.06598	12.0
59.94609	8.5
65.48692	8.3
67.05527	20.9
67.63029	8.8
69.07063	14.1
69.70746	56.7
72.08183	13.0
78.38853	8.9
79.05499	14.4
81.03409	42.0
81.07044	28.7
82.06570	10.2
83.04952	10.2
83.08623	20.1
86.06070	11.4
88.04000	12.3
90.05553	56.7
91.05468	30.0
93.07026	17.6
95.04962	19.2
95.08595	14.2
105.07028	20.5
107.08663	12.7
117.07018	9.2
119.08580	14.0
120.50258	8.5
131.08543	9.0
132.06552	18.9
133.10130	8.5
148.04092	9.6
193.12263	48.9
210.14909	100.0
211.13289	96.9
228.15964	72.1
254.17410	13.8
254.19887	20.0
256.15656	20.4
258.12021	13.9
272.20978	19.5
274.16504	50.1
300.17789	13.1
300.20697	13.3
301.11707	25.2
302.22687	10.0
318.11166	26.0
318.14798	45.3
319.12833	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	318.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01870	1.2
55.05512	1.0
56.05023	0.4
56.11629	0.4
56.64743	0.4
57.03433	1.4
59.05005	0.4
59.99760	0.4
60.04531	0.5
61.02921	1.8
67.05510	0.8
69.03439	4.1
69.07073	3.2
69.23193	4.2
70.06600	0.8
71.04993	0.7
72.08150	1.1
77.06870	0.5
79.05510	0.8
80.05025	1.0
81.03434	2.2
81.07069	0.9
82.06573	1.0
83.04980	0.4
83.08630	0.6
85.02915	6.4
86.09715	3.0
87.04483	1.0
90.05581	0.9
91.03959	0.5
91.05494	0.7
93.07054	1.7
95.08633	2.8
96.04483	3.0
96.08144	3.3
97.02892	3.5
97.05273	2.2
97.06519	1.4
99.04409	0.5
100.07609	1.5
100.28608	0.5
105.07056	0.5
106.97475	0.4
109.02880	0.9
109.06535	0.6
110.06050	6.7
110.09678	4.6
111.08098	0.9
120.08106	1.4
121.06488	0.8
125.08363	1.3
126.09172	8.3
127.03918	1.7
129.09129	0.9
138.09155	20.9
139.07559	0.9
145.04979	1.2
152.10771	0.6
156.10214	100.0
157.08607	1.6
157.10590	0.9
168.10196	0.7
173.12875	1.8
180.10222	0.7
182.15401	0.5
193.12210	0.5
198.11342	0.8
201.12463	0.6
210.14873	4.3
211.13344	1.0
228.15913	3.2
270.10007	0.7
272.11511	1.0
273.12146	0.6
274.16580	3.2
288.10596	0.8
301.11807	4.5
318.12115	0.5
318.15442	2.4
319.12894	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70680	1.5
54.41634	1.3
55.01881	1.6
55.10530	1.2
57.03430	1.8
61.02919	4.2
66.59557	1.4
69.03116	1.3
69.03436	7.4
70.06586	5.4
70.94308	2.1
71.05006	2.3
72.08158	7.1
73.02927	2.1
74.06074	2.4
79.05525	1.4
79.36613	1.2
81.03423	2.9
83.04920	1.4
84.04508	2.4
84.08142	1.7
85.02443	2.3
85.02916	35.2
86.09698	5.5
91.03987	1.8
91.05486	4.1
93.07052	6.2
94.07391	1.1
95.08626	1.8
96.62054	1.3
97.02917	9.1
99.04465	2.6
103.05476	2.1
104.91389	1.2
109.02885	3.1
121.06511	100.0
127.03936	4.7
130.06563	2.3
132.10242	1.5
138.05469	2.7
138.09090	2.0
139.07544	10.3
145.04921	7.3
156.08141	14.4
156.10219	2.8
157.07547	2.7
158.05962	1.4
163.07619	1.7
180.08704	4.0
187.07454	2.2
201.12502	2.0
210.14867	1.5
230.30238	1.3
243.15450	1.5
247.09529	1.9
265.10605	1.9
301.12100	2.1
318.11844	2.1
318.15579	1.6
319.12775	2.5
337.12466	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2113
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
53.03931	2.6
55.05502	9.1
57.03408	2.6
57.07068	7.7
58.07396	2.3
60.04512	4.0
61.04860	2.3
63.96909	2.0
65.03944	2.3
67.05506	22.7
69.07058	9.0
70.06595	10.4
70.53773	2.4
70.54100	5.4
71.04996	2.1
71.08618	2.5
75.46966	2.6
76.13416	2.5
79.05501	23.3
81.07066	40.0
83.04974	6.8
85.06524	2.8
88.07639	18.5
89.07961	3.4
90.26467	2.2
91.05485	32.7
93.07053	33.6
95.04980	9.4
95.08611	33.4
97.02921	2.1
97.06522	7.9
99.40206	2.1
102.09151	3.8
105.07046	38.1
106.08657	6.6
107.04935	2.5
107.08590	28.4
109.06513	5.3
109.10147	14.7
117.07017	13.2
119.08597	27.0
121.06523	5.4
121.10130	12.7
123.08080	9.6
123.11707	5.7
125.09609	2.7
127.11204	3.3
129.06996	9.7
130.07784	2.3
131.08565	29.4
133.06465	2.2
133.10150	26.2
135.08047	8.0
135.11696	8.3
137.09621	7.5
141.07074	2.9
142.07822	2.9
143.08530	16.5
145.10144	27.0
147.08047	6.1
147.11676	14.2
148.48367	2.2
149.06020	2.2
149.09612	8.4
149.13205	4.9
155.08580	10.2
157.10139	16.5
157.23462	2.3
159.08049	6.0
159.11716	18.8
161.09613	4.7
161.13292	9.0
163.11208	8.2
167.08501	3.6
169.10126	8.4
171.11696	18.8
171.19429	2.3
173.09621	3.5
173.13258	8.3
175.11232	3.5
177.12711	3.8
183.11676	6.4
185.13283	6.5
187.11137	3.5
187.14882	5.6
187.23869	2.5
189.12732	7.9
197.13303	21.1
199.14827	3.3
201.12697	3.2
203.14349	2.5
205.12222	3.4
211.14812	7.1
213.16385	6.4
215.14313	13.8
219.13673	2.3
225.16420	5.4
227.17978	2.4
229.16029	2.5
233.15472	4.0
241.15955	3.0
243.13799	6.3
243.21159	6.5
253.19524	48.8
256.26428	2.2
259.17117	5.0
261.14899	6.8
271.20590	53.3
281.19009	6.4
299.20090	40.6
299.31345	5.9
317.17776	5.8
317.21194	56.1
317.24777	6.6
317.28702	5.1
317.32440	100.0
318.29935	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	317.2113
Annotation	7beta-Hydroxyabieta-8,11,13-trien-18-oic acid
Peak:m/z	Relative Intensity
50.10566	1.0
55.01862	1.3
55.05268	1.3
55.05513	11.9
57.03442	2.0
57.07076	1.2
65.15371	1.0
67.05214	1.4
67.05508	11.8
69.07072	8.3
70.18724	1.0
71.04997	42.4
71.50746	1.1
71.51115	1.6
72.08154	1.4
77.11277	1.1
79.05493	12.5
81.07071	13.1
83.04993	1.8
83.08627	11.5
85.06538	1.6
86.09700	3.8
86.93095	1.2
91.05479	12.5
93.07049	14.5
95.04945	2.4
95.08612	17.3
97.06528	3.1
97.10176	1.3
105.07035	16.2
107.08594	16.0
109.06500	2.8
109.10158	14.9
109.52933	1.1
111.04435	1.9
111.08074	3.0
115.05444	1.8
117.07014	11.4
119.08595	14.2
121.06504	2.4
121.10163	9.0
125.09637	2.8
127.11197	100.0
128.06247	1.3
129.07011	8.0
129.09128	4.1
130.06534	1.4
131.08582	15.8
133.10136	10.1
134.36664	1.5
135.08047	3.2
135.11751	2.8
137.09596	2.0
140.14355	1.5
141.07001	2.9
142.07753	1.3
143.08565	12.2
145.06476	4.0
145.10118	12.9
147.08000	1.4
147.11679	7.9
149.05922	1.3
149.09619	2.1
149.13231	1.8
155.08542	6.2
156.09349	1.8
157.10127	11.3
158.15405	3.8
159.07973	1.5
159.11684	12.2
161.06017	1.4
161.09660	1.5
161.13254	5.0
163.07542	5.2
167.08669	1.5
167.10692	1.9
168.09436	1.3
169.10144	5.3
171.11681	9.1
173.09610	1.7
173.13272	10.8
175.07518	2.7
175.14856	1.2
177.12799	1.5
183.11664	8.4
185.13318	4.1
187.11258	1.5
187.14833	2.8
189.09070	1.3
191.07063	10.3
197.09619	1.5
197.13286	12.0
199.07538	1.6
199.14856	2.0
201.09148	1.6
203.06984	1.7
203.14308	3.6
211.14868	8.7
213.13023	1.4
213.16446	4.7
215.14331	5.3
217.08638	7.1
217.12212	2.1
223.14854	1.3
225.16441	4.1
243.10197	8.2
243.21114	4.2
253.19536	58.2
263.18051	2.0
271.17493	2.7
271.20563	43.5
281.18927	8.1
292.26941	1.3
299.10297	3.6
299.16568	6.8
299.20023	58.4
308.77106	1.2
317.11438	4.6
317.14609	1.4
317.17529	5.2
317.21033	30.1
317.24319	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2111
Annotation	2-Oxo-12Z-ozic acid
Peak:m/z	Relative Intensity
53.03953	1.0
55.05510	2.9
67.05504	5.8
69.07062	3.7
79.05504	6.3
80.47575	0.8
81.03416	1.2
81.07054	12.3
83.05004	1.4
83.08631	0.9
91.05490	6.7
93.03413	3.4
93.07046	16.5
95.04971	1.5
95.08601	8.1
97.06557	1.7
98.20715	1.9
98.98449	1.0
105.07034	14.7
107.04965	7.5
107.08595	15.0
109.06532	1.6
109.10173	6.1
117.07009	3.0
119.08593	10.6
121.06509	2.3
121.10178	4.0
123.08062	1.0
123.11714	3.0
129.07057	1.1
131.08597	8.3
133.10123	5.3
135.08064	2.4
135.11661	2.2
137.09651	2.0
141.06979	1.2
142.07710	1.3
143.08522	4.4
145.06509	1.9
145.10120	8.5
147.08078	2.5
147.11714	5.6
149.09669	1.6
149.13249	1.4
153.09146	4.8
155.08577	3.8
157.10097	5.3
159.08051	21.5
159.11722	5.5
161.09607	2.2
161.13232	4.9
163.11206	2.7
169.10150	2.9
171.11739	3.2
173.09627	1.7
173.13268	5.8
175.11201	1.8
175.14827	1.1
182.10960	1.4
183.11678	1.6
185.13287	1.2
187.14874	4.0
189.12726	6.7
197.13275	10.6
201.12814	4.6
203.14301	0.9
211.14827	2.2
213.16431	2.8
215.14331	16.1
225.16415	1.0
229.19481	1.5
253.19513	17.2
261.14868	100.0
262.15274	2.4
271.20575	34.4
272.20926	1.2
299.20117	4.3
317.17462	1.6
317.21179	31.8
317.24744	5.4
318.30002	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2113
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
55.05508	13.6
56.05037	6.5
57.07064	11.3
60.04526	5.4
67.05501	34.3
69.07060	11.0
70.05226	9.7
70.05605	6.5
71.04958	4.6
71.08649	4.7
74.06078	15.0
79.05496	29.4
81.07060	66.9
83.08614	8.0
88.07645	35.7
89.07959	7.3
90.53516	3.4
91.05492	25.3
93.07055	41.5
95.04936	5.2
95.08601	36.0
97.06526	3.8
97.10157	5.8
105.07043	48.8
107.08598	38.8
109.10156	32.1
117.07023	14.8
119.08591	33.7
121.10133	20.6
123.08077	6.6
123.11754	5.5
127.11210	4.4
129.07054	7.6
131.08592	28.4
133.10127	32.7
135.08009	4.9
135.11694	14.4
137.09680	7.2
141.07050	4.2
143.08543	11.6
145.10132	34.4
147.08098	4.6
147.11713	25.6
149.13246	8.7
151.07523	4.5
151.11287	4.5
155.08542	6.7
157.10147	17.1
159.11731	23.1
161.09581	5.2
161.13281	18.8
163.11162	20.1
163.14742	3.7
169.10124	12.9
171.11676	17.2
173.13289	8.3
175.11241	4.8
175.14857	4.3
179.10643	4.2
183.11734	11.9
185.13297	8.4
187.14813	4.4
189.12712	6.4
197.13242	22.7
199.14774	4.3
203.10695	5.4
205.12268	5.1
211.14819	14.8
213.09003	3.9
213.16376	6.6
215.14352	4.1
219.13847	3.8
225.16461	9.6
229.12381	3.5
241.19556	5.5
243.13847	6.9
243.21140	15.3
253.19536	83.8
261.15042	4.1
271.17587	5.2
271.20578	100.0
271.28271	9.3
281.18951	9.8
299.20056	55.8
317.06549	5.6
317.17874	7.0
317.21078	37.1
317.24716	19.9
317.28787	59.5
317.32462	18.8
318.30075	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	317.2113
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
54.86944	1.6
55.05498	6.6
55.99455	1.7
57.07063	6.2
58.07402	3.2
60.04506	4.9
60.61677	1.8
67.05514	9.2
69.07061	3.3
69.14142	1.6
69.85584	10.1
70.06590	3.9
71.02380	1.6
71.08627	3.6
71.29006	1.6
79.05471	6.7
81.07072	13.9
83.04964	2.1
83.08611	1.9
84.47381	1.8
88.07624	7.7
91.05473	8.6
93.07043	10.2
95.04939	3.5
95.08617	17.9
97.06509	3.7
97.10131	2.4
98.49104	1.9
98.97604	2.8
103.05541	2.4
105.07035	62.4
106.08666	11.0
107.08558	9.7
107.35651	1.7
109.06554	2.0
109.10162	13.0
117.07024	4.8
119.08591	58.9
121.06498	5.0
121.10142	4.7
123.08070	2.4
125.09633	2.1
127.11137	1.9
128.06209	2.0
130.14404	1.7
131.08571	15.2
132.64839	2.0
133.10103	7.9
135.11717	5.3
137.09628	2.6
142.07788	2.5
143.08559	5.0
145.10132	100.0
147.08047	2.9
147.11685	8.8
151.07536	4.2
155.08629	3.5
157.10150	10.7
159.11691	7.8
161.13188	2.8
163.11150	2.5
163.14790	2.1
169.02866	1.8
169.10095	2.6
171.11674	7.2
173.09679	2.4
173.13240	3.5
175.11130	1.8
177.09024	3.4
183.11627	3.1
189.12755	2.2
197.13254	4.4
199.14828	2.3
204.27377	1.7
207.96011	1.9
211.14758	3.1
213.16490	3.3
225.16360	3.4
227.17929	25.2
233.15375	6.5
239.17773	2.2
243.21187	2.5
253.19540	15.4
257.15298	2.7
271.20578	20.8
273.18597	10.2
289.21738	2.8
299.20117	13.3
302.04123	3.4
317.06570	3.1
317.10294	1.6
317.13934	6.0
317.17670	3.7
317.21021	18.9
317.29025	2.7
317.32422	47.6
318.30139	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
53.03934	3.0
55.01864	4.1
55.05512	16.7
57.07061	6.8
59.04995	6.9
65.03923	3.2
67.05507	65.3
69.03412	6.5
69.07049	5.9
69.85473	4.1
69.85842	8.9
70.06580	2.2
71.04974	5.4
79.05500	12.0
81.07059	30.8
83.04966	4.5
83.08606	5.4
85.06532	3.0
88.07611	2.1
91.05478	18.3
93.07040	21.7
95.04965	27.8
95.08607	21.3
97.06518	8.8
105.07022	20.4
107.04985	2.6
107.08598	47.3
109.06534	20.5
109.10156	100.0
117.07014	5.3
119.08589	62.0
121.06503	9.0
121.10136	8.6
123.08073	31.5
125.06002	3.1
125.45313	1.8
127.11120	2.1
129.07007	3.2
131.08578	6.4
133.06508	3.6
133.10159	9.4
135.08067	12.2
135.11653	3.2
137.05962	3.7
137.09612	77.0
138.18166	1.9
139.07568	2.4
143.08569	7.6
145.10138	10.5
147.08012	6.3
147.11694	5.8
149.09584	6.9
151.07547	66.0
151.31631	1.9
153.05478	6.2
153.09102	2.4
155.08545	3.6
156.09323	3.1
157.10147	4.8
159.08060	3.3
159.11717	7.5
160.08958	2.4
161.09608	13.1
161.13240	3.7
163.11153	5.1
165.09145	6.8
167.07005	4.0
169.10139	2.6
171.11713	6.1
173.09692	3.5
173.13239	5.1
175.11148	2.5
177.09016	4.5
181.08617	5.9
181.12166	3.2
183.11765	2.7
189.12735	35.9
191.10638	1.9
192.11337	2.4
197.13278	4.2
199.11206	4.5
199.14793	2.2
203.14357	3.2
207.13802	33.6
215.14316	4.8
217.12189	3.4
217.15903	2.9
221.15341	5.1
225.12679	2.4
233.15273	3.7
237.14851	10.8
243.13853	8.3
256.26404	6.9
261.14856	6.9
263.17807	2.1
281.18893	3.5
299.20068	10.4
317.21112	87.2
318.21555	4.5
318.30017	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	317.2114
Annotation	all-trans-4-Hydroxyretinoic acid
Peak:m/z	Relative Intensity
53.03946	7.7
55.05514	21.9
57.03424	4.4
59.92760	3.8
62.41405	5.1
65.03949	5.7
67.05511	39.8
69.03429	6.6
69.07081	20.0
71.04994	5.5
71.33238	4.7
79.05498	49.8
81.07066	93.4
81.64323	4.6
83.05002	7.2
91.05486	83.2
91.06024	7.1
93.07052	100.0
95.04982	34.8
95.08611	80.2
95.09177	6.3
97.06539	17.3
97.10154	3.9
103.05459	6.0
105.07044	99.8
107.04964	5.5
107.08606	52.4
107.65222	4.0
109.06546	12.8
109.10139	19.9
111.08104	5.3
115.05481	5.0
117.07030	43.1
119.08593	95.8
121.06568	19.3
121.10164	38.1
123.08081	6.5
123.11713	9.5
127.11191	7.0
128.06252	4.8
129.07030	22.4
131.08562	50.6
133.06509	7.6
133.10141	67.2
135.08083	14.6
135.11710	13.9
137.09621	17.9
137.13243	4.8
141.07019	8.6
142.07768	12.4
143.08582	34.0
145.10139	55.0
147.08041	12.1
147.11705	23.3
149.09601	9.2
149.13280	4.8
155.08572	20.3
156.09402	7.1
157.10149	29.8
159.08069	12.5
159.11707	65.4
161.09631	8.4
161.13255	27.1
163.11174	8.0
165.09192	4.9
167.08725	4.2
167.10670	7.8
169.10101	25.2
171.11644	25.0
173.09659	7.6
173.13286	18.8
175.11214	8.7
175.14732	6.4
177.12717	5.1
181.05135	4.7
183.11729	21.6
185.13248	18.0
187.07524	4.3
187.11192	8.7
187.14836	17.2
189.09219	5.5
189.12793	10.3
191.10660	6.0
195.11780	9.4
197.13309	29.4
199.14862	11.2
201.12773	13.9
201.16406	6.0
207.11850	4.9
207.13881	4.5
211.11322	4.1
211.14798	10.2
213.12679	7.0
213.16353	20.3
215.14348	8.1
215.18031	5.1
219.13774	5.3
223.14891	4.4
225.16362	10.1
241.15875	8.1
243.17502	7.9
243.21120	10.0
253.19528	48.9
259.17004	14.3
271.17249	7.7
271.20587	68.6
281.18912	22.2
299.16650	7.8
299.20010	61.3
317.06509	6.4
317.10147	4.9
317.17422	9.5
317.20880	74.5
318.21188	4.4
339.66898	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	317.2112
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
50.67867	1.0
53.03938	1.7
55.05511	5.9
55.25276	1.1
56.96569	1.6
57.03443	1.3
57.07076	1.9
57.65807	1.0
58.85891	1.0
60.04519	2.4
67.05505	11.1
69.07068	7.9
69.24831	11.1
70.06583	2.1
71.04967	1.9
79.05493	7.6
81.07056	18.2
83.08627	2.3
88.07612	1.8
91.05479	10.4
93.07049	18.8
95.04987	2.6
95.08048	1.9
95.08613	18.1
97.06514	2.5
97.10162	1.9
98.20667	2.0
105.07037	51.9
107.05009	1.8
107.08598	19.7
109.06516	2.9
109.10161	16.2
111.08022	1.7
111.11716	8.3
117.07034	5.1
119.08588	25.2
121.06540	2.2
121.10164	10.2
123.08089	3.9
123.11703	4.6
127.11240	1.3
129.06998	2.7
131.08565	13.9
133.10121	14.8
135.08075	2.3
135.11696	5.1
137.09610	3.2
142.07748	1.1
143.08575	3.8
145.10123	18.6
147.11700	21.4
149.09650	2.3
149.13274	5.0
151.07536	2.1
151.11250	1.6
155.08553	3.5
157.10158	7.0
159.11699	9.8
161.13257	9.7
163.11134	2.8
165.12737	2.2
169.10193	3.0
171.11653	6.4
173.13275	8.5
175.11183	1.7
175.14859	1.4
177.12727	1.5
183.11685	3.1
185.13202	1.7
187.14862	3.0
189.12831	1.8
193.12228	14.9
196.68457	1.1
197.13255	6.4
199.14912	2.6
201.16415	2.7
203.10728	1.3
205.12144	1.2
207.13872	1.3
211.14873	5.9
213.16360	5.6
215.14258	2.1
215.17950	9.1
225.16223	1.5
227.17928	2.3
229.19557	4.6
243.13768	2.2
243.21123	4.8
253.19585	19.4
257.15411	1.8
259.17065	1.3
270.28046	2.1
271.20569	20.0
281.19135	1.7
299.09561	1.3
299.20197	11.1
317.06625	3.0
317.21158	100.0
317.24747	8.3
317.32275	2.5
318.21680	1.5
318.30106	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	317.2114
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
52.54229	1.8
53.03939	2.6
54.45400	1.9
54.99768	1.8
55.01870	4.7
55.05513	15.8
57.07061	8.0
59.04997	6.4
60.08928	1.9
60.40504	1.8
65.03939	3.0
67.05506	59.7
68.56361	2.2
69.03424	7.3
69.07044	8.2
70.02320	7.8
70.06573	2.8
71.04977	3.5
79.05483	14.4
79.48707	2.2
81.07061	35.8
83.04973	4.8
83.08578	2.9
85.06555	3.0
88.07648	4.8
91.05491	15.8
93.07048	20.6
95.04976	29.5
95.08613	24.5
97.06530	9.5
97.10168	2.4
98.20839	3.2
102.09185	2.5
105.07036	18.0
107.04910	2.9
107.08598	49.4
108.05751	2.0
108.73677	1.9
109.06530	21.5
109.10161	100.0
114.61723	2.0
117.06983	7.3
119.04986	2.1
119.06054	2.1
119.08583	57.9
120.85091	1.9
121.06463	6.8
121.10133	10.2
123.08066	31.8
125.05907	2.5
131.08531	9.8
133.06477	6.3
133.10139	10.9
135.08046	15.2
137.05885	2.1
137.09622	70.2
139.07555	2.9
143.08527	3.2
145.10112	9.7
147.08046	8.0
147.11685	4.1
149.09592	7.5
151.07549	71.9
153.05457	9.5
153.09027	2.6
156.09296	3.6
157.10120	4.8
159.08046	4.8
159.11700	6.4
161.09616	9.7
163.07545	3.0
163.11177	5.0
165.09102	7.8
167.07033	4.1
171.11685	8.4
173.09631	4.8
173.13387	2.6
175.11197	3.2
177.09122	3.3
177.20555	2.2
181.08600	4.6
181.10030	2.4
181.12187	2.5
182.10941	2.5
183.11676	3.9
189.12752	31.6
191.10657	3.7
197.11678	2.8
199.11110	2.4
207.13797	33.1
211.77425	2.0
215.14322	6.4
217.12328	3.2
221.15363	5.0
225.12740	4.3
231.13765	2.5
233.15352	4.8
237.14879	7.4
239.17909	2.8
243.13829	8.7
253.19547	2.2
256.26215	6.5
261.14993	5.0
271.20419	2.4
281.18942	3.7
299.20004	16.5
317.17706	5.0
317.21112	80.8
318.29913	13.7
318.81445	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2114
Annotation	all-trans-18-Hydroxyretinoic acid
Peak:m/z	Relative Intensity
51.35860	3.1
53.03929	3.6
55.05512	23.0
57.03424	9.1
67.05512	29.7
69.03428	7.9
69.07058	11.3
69.38836	26.8
71.04996	8.7
72.17184	3.5
79.05502	27.7
81.03407	4.0
81.07063	61.9
83.04956	10.6
83.08622	7.7
85.02923	3.9
85.06540	4.3
91.05491	50.7
93.07047	54.5
95.04977	8.0
95.08608	40.8
97.06528	12.1
97.10179	4.7
98.20789	6.9
105.07035	52.1
107.08606	45.3
109.02917	4.3
109.06520	6.7
109.10152	20.9
109.17690	2.9
115.05422	4.5
116.06158	3.6
117.07015	20.0
119.08591	34.7
121.06531	8.2
121.10167	27.8
123.08067	4.2
123.11703	8.2
125.09619	10.5
127.11233	3.2
129.07014	18.1
130.07813	5.8
131.04907	3.3
131.08575	43.7
131.11856	3.8
133.06525	3.8
133.10141	28.9
135.08026	5.1
135.11685	12.4
137.05945	5.7
137.09628	8.0
141.06984	7.0
142.07732	8.2
143.08598	23.2
145.06487	6.5
145.10139	75.3
147.08090	8.0
147.11691	18.6
149.09596	7.7
149.13277	9.4
151.11180	5.0
153.06972	3.2
153.09128	5.8
155.08600	20.3
157.10141	25.2
159.08095	9.0
159.11688	28.4
161.09656	8.4
161.13275	14.0
163.07713	3.9
163.11169	4.9
168.00542	7.5
169.10129	17.0
171.11685	34.2
173.09642	8.9
173.13310	14.7
175.07524	6.1
175.11212	7.3
175.14874	3.7
177.09204	5.3
177.12828	5.4
181.10159	4.7
183.11665	15.4
185.09647	7.9
185.13216	8.7
187.11186	4.6
189.09189	4.9
189.12753	9.5
191.07085	4.5
191.10724	5.3
191.14310	4.1
193.08679	4.2
195.08057	3.4
197.13281	24.9
199.14786	9.7
200.14856	3.2
201.09109	6.4
203.10686	6.8
205.08641	18.6
205.12204	6.9
206.13080	4.7
211.14845	15.0
213.09143	6.0
213.16380	7.7
215.10701	3.9
215.14388	10.0
217.12321	6.5
219.10162	59.2
223.14848	3.9
225.16432	7.4
233.11807	4.1
243.10190	5.5
243.13943	4.4
243.21129	5.4
253.19522	70.7
259.13354	8.6
261.14783	6.0
271.17474	6.5
271.20575	100.0
278.48419	3.7
281.19092	11.5
298.59744	3.6
299.16632	6.8
299.20013	59.2
302.04279	29.5
317.06570	32.6
317.14072	7.2
317.17468	52.0
317.21136	89.3
317.28143	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	317.2114
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
50.76658	1.8
53.03942	2.0
55.01864	5.0
55.05517	15.6
57.07065	7.3
59.04995	5.3
60.04529	1.9
65.03929	3.2
67.05507	64.4
68.28492	1.7
69.03421	4.8
69.07055	7.5
69.65035	1.8
69.98470	3.2
69.98866	6.3
70.06605	2.6
71.04994	5.1
79.05499	12.7
81.07065	34.3
83.04964	6.7
83.08611	4.0
85.06541	3.8
88.07614	1.9
88.40338	1.6
89.29077	1.7
91.05486	19.8
93.07044	22.1
95.04971	28.1
95.08608	27.0
97.06535	9.8
100.23811	1.8
105.07046	21.6
107.04965	2.3
107.08604	45.5
109.06522	23.1
109.10165	100.0
111.04470	1.8
111.08057	3.3
117.07021	5.4
119.08586	67.8
121.06486	10.8
121.10165	13.2
123.08075	31.4
123.11683	2.1
124.32812	1.5
125.06030	2.8
125.09658	2.5
127.11194	2.7
129.07042	2.4
130.07776	1.9
131.08562	7.9
133.06494	4.1
133.09248	1.7
133.10094	11.2
134.73917	1.6
135.08070	12.4
135.11728	4.4
137.06010	2.3
137.09624	72.9
138.09955	2.1
139.07555	4.1
142.07803	2.4
143.08591	8.1
145.10121	9.9
147.08037	6.4
147.11703	5.1
149.09589	8.8
151.07544	69.8
153.05473	5.9
155.08615	2.4
156.09312	2.6
157.10126	4.4
159.08051	4.1
159.11713	7.4
161.09612	11.2
161.13284	2.6
163.07579	3.3
163.11160	4.9
165.09129	8.6
167.07077	4.2
169.10190	2.1
171.11714	5.8
173.09633	4.8
173.13255	4.8
175.11092	3.9
176.67061	1.7
177.09125	3.3
181.08600	6.0
181.10039	2.1
181.12234	3.7
182.11034	1.9
183.11655	3.8
185.13374	2.7
187.11208	2.2
189.12737	31.1
191.10643	4.0
191.14322	2.8
196.19371	1.9
197.13286	2.6
199.11186	3.3
201.12784	3.1
202.70816	1.8
203.14346	4.1
207.13812	36.6
215.14337	5.9
217.12231	2.6
217.15588	1.6
219.13782	3.6
221.15405	5.3
223.14815	2.2
225.12851	3.3
233.15369	4.3
237.14738	9.4
243.13808	9.3
253.19556	2.0
255.17140	1.8
256.26389	3.5
261.14868	7.9
263.17996	2.2
281.18979	3.8
285.36203	1.9
299.20062	17.0
317.21140	93.2
318.29965	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	317.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	1.6
55.05507	8.4
67.05504	5.6
69.07069	3.6
69.41463	7.6
71.04601	2.0
71.04997	38.0
79.05486	7.1
81.07063	7.2
83.08638	8.5
86.09729	3.6
91.05496	5.9
93.07053	6.6
95.08613	8.0
97.06545	1.8
99.94556	1.1
105.07045	8.1
107.08572	9.5
109.06516	1.5
109.10173	10.2
114.48010	1.0
117.07016	7.4
119.08598	6.9
121.06500	3.1
121.10155	3.8
123.11720	1.4
125.09679	2.0
127.11203	100.0
129.07021	2.9
129.09131	2.7
131.08539	7.2
133.10168	5.9
135.08101	3.6
143.08580	4.5
145.06509	5.6
145.10098	7.6
147.11723	3.1
149.06035	1.4
155.07326	1.2
155.08546	3.5
157.10126	4.0
158.15410	2.1
159.11664	5.7
161.13240	1.5
163.07619	5.6
169.10175	4.2
171.11700	4.1
173.13268	3.0
175.07520	1.7
183.11731	5.1
185.13272	3.8
189.09119	2.1
191.07010	10.9
197.09639	1.3
197.13277	5.6
198.33871	1.4
201.09198	1.3
203.07074	2.8
203.14284	1.6
211.14798	3.9
213.16502	1.7
215.10826	2.0
215.14368	1.6
217.08594	7.8
225.16414	2.9
243.10092	7.7
243.20946	2.8
253.19554	24.9
257.11523	1.1
263.01550	1.4
271.20563	23.5
281.19031	3.6
299.10370	2.3
299.16455	6.4
299.20078	27.3
299.23334	2.0
317.11459	2.6
317.17429	5.7
317.21167	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	317.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	0.8
55.01877	1.9
55.05504	3.8
57.03437	1.2
57.74220	0.7
59.04994	0.8
60.04522	0.7
67.05520	4.6
69.03414	2.2
69.07064	1.6
71.01764	1.6
71.05000	35.9
75.16744	0.7
77.86497	0.7
78.74323	0.8
79.05483	2.2
80.45757	0.8
81.03426	0.9
81.07053	4.5
83.08617	2.5
85.06553	1.2
86.06050	0.8
91.05475	3.2
93.07037	2.0
95.04979	0.9
95.08603	2.7
96.08955	0.9
97.06541	0.8
105.07035	3.4
107.03776	0.8
107.08614	1.8
109.10176	7.2
116.10734	3.4
117.07050	2.9
119.08543	1.8
121.06495	1.9
127.11201	100.0
128.11523	0.9
129.07019	1.0
131.08600	1.9
133.10120	1.8
135.08057	2.7
137.05952	1.2
141.07060	1.1
143.08575	1.7
145.06477	4.6
145.10150	2.3
147.08067	1.6
147.11612	0.9
149.05988	1.7
155.08699	0.9
157.10118	0.8
158.11821	1.2
161.06032	1.0
161.09520	1.2
163.07614	5.0
164.03429	0.8
173.09654	1.4
187.11221	1.1
189.09097	1.8
191.07054	10.7
197.09451	1.1
197.13280	1.0
199.07512	0.9
201.09172	1.9
203.07031	3.4
208.00665	0.8
215.10638	1.4
217.08643	6.3
218.11821	3.1
228.10085	1.6
229.12138	0.8
243.10176	7.1
246.11397	1.3
253.19472	1.7
257.11774	1.0
271.20630	2.5
289.11578	1.2
299.16403	5.9
299.19888	1.9
302.04172	1.9
317.06818	3.7
317.11282	6.2
317.17459	6.6
317.21432	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	317.1024
Annotation	2',4'-dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone
Peak:m/z	Relative Intensity
53.03958	0.7
55.01870	1.2
55.05524	4.3
57.03432	2.0
60.62917	0.7
65.03938	0.9
65.34669	0.7
65.59335	0.7
67.05497	2.6
68.02644	0.9
69.07072	2.1
71.04993	0.8
71.50031	1.2
79.05512	4.6
80.48203	0.6
81.06659	0.7
81.07069	7.2
83.04973	1.6
83.08647	1.0
89.03924	6.8
91.05496	5.6
93.03405	1.0
93.07039	6.0
95.04980	1.7
95.08595	5.5
97.06520	2.7
97.10172	1.1
98.72984	0.7
105.07052	8.1
107.01316	1.9
107.04984	1.2
107.08610	7.0
109.06548	1.0
109.10168	2.2
111.04459	1.5
111.08121	0.8
115.05448	0.9
117.02628	1.4
117.03394	18.5
117.07032	2.1
119.04960	1.7
119.08595	5.0
121.06512	1.6
121.10147	3.6
123.08080	1.5
124.01580	5.3
125.09593	1.0
127.11147	0.8
128.06265	0.9
129.07018	2.1
130.07806	0.9
131.08569	5.1
133.10138	4.5
134.03659	1.7
135.04434	3.0
135.08017	1.1
135.11655	1.6
137.06017	1.6
137.09612	1.1
139.03894	2.8
141.07018	1.9
142.07771	1.0
143.08598	3.0
145.02863	37.8
145.06528	1.7
145.10156	5.9
147.08110	1.0
147.11710	4.2
149.05997	6.2
149.09683	0.9
149.13226	0.7
150.06778	8.3
151.07547	1.2
151.11125	1.1
152.01064	55.9
153.01834	2.4
153.05516	1.3
155.08572	1.9
157.10153	4.1
158.07317	0.9
159.08014	1.1
159.11743	4.1
161.09645	0.8
161.13225	2.1
163.03915	2.0
163.11174	1.2
165.09174	0.8
167.03421	96.7
168.03732	0.9
169.10161	2.5
170.02124	14.6
171.11705	2.4
173.09651	2.9
173.13287	2.0
175.07597	2.2
175.11214	1.2
177.05489	43.3
178.02652	4.4
183.07948	1.0
183.11732	1.6
185.09708	1.8
185.13312	1.9
186.05545	0.9
187.07552	1.5
187.14848	0.9
189.09120	2.2
189.12790	1.5
191.07030	1.1
191.10675	2.1
193.04967	7.6
193.08661	1.2
193.10248	1.1
195.11748	0.8
197.09631	0.8
197.13258	4.6
199.14844	1.4
201.09166	1.9
203.10687	1.5
205.08571	3.6
211.07574	1.3
211.11185	1.4
211.14862	2.1
213.09134	0.9
213.16499	1.2
215.07178	1.0
215.10712	1.3
215.14345	1.3
219.10185	14.8
225.09251	0.8
225.12796	2.2
225.16449	1.6
233.11845	1.0
239.06926	0.9
241.12296	1.0
241.19533	1.7
243.10228	1.4
243.13869	1.4
243.21350	1.1
253.12341	1.8
253.19560	11.2
256.07254	1.0
257.11703	1.0
259.13312	2.6
271.09995	0.9
271.13306	2.2
271.16379	0.8
271.17340	1.1
271.20572	16.8
281.08148	1.0
281.11258	0.9
281.19022	1.4
285.07544	1.7
287.05554	1.4
299.09198	4.0
299.12827	3.1
299.16568	1.2
299.19989	8.8
302.07880	2.6
317.10226	100.0
317.17566	6.3
317.21121	12.8
318.10422	1.2
334.03018	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
55.01886	0.6
55.05525	0.5
68.99828	1.1
69.85286	1.2
71.01366	0.8
79.05529	0.3
81.03430	0.4
81.07093	0.4
81.25928	0.2
83.04997	0.5
84.02148	0.7
87.15416	0.2
93.07087	0.5
95.08622	0.3
98.20911	0.4
99.00815	2.9
105.07065	0.3
107.04953	2.0
107.08647	0.4
112.01593	1.9
121.02897	0.3
121.10058	0.3
127.00285	2.3
128.06233	0.3
133.10115	0.5
134.03712	0.6
135.04413	1.7
136.05222	0.6
137.02342	5.2
139.07602	0.4
140.01047	1.7
143.08548	0.4
145.10143	0.3
154.99771	1.5
163.03989	0.6
166.02654	0.3
168.00548	26.8
169.01350	2.6
169.09959	0.2
172.05275	0.3
176.04706	0.3
181.05000	3.0
181.06502	0.4
182.99303	0.4
186.01605	7.1
199.07594	0.6
200.04739	0.7
201.00342	0.5
203.03294	0.5
211.03957	1.1
217.04990	0.3
219.10246	0.5
225.05476	0.4
227.07169	0.3
229.04967	1.0
240.07753	0.5
241.05060	0.4
243.10205	2.9
256.03641	0.6
256.07373	1.1
271.06073	0.7
271.09671	1.4
271.20435	0.3
273.03946	0.8
274.04752	2.2
285.04010	0.5
287.01971	0.3
299.05612	0.4
301.03598	1.2
302.04221	100.0
303.04535	1.5
316.02097	0.5
317.06561	94.9
318.07028	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2848
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03924	0.6
53.32097	0.6
55.05521	4.7
56.05045	4.9
57.03444	1.1
57.07076	2.1
58.02951	0.7
60.04530	100.0
65.03950	0.7
67.05509	9.1
68.05042	1.0
69.07072	5.5
70.06596	1.1
70.75554	1.7
70.75890	0.7
71.04973	0.8
71.08633	0.7
71.83426	0.6
72.04531	2.4
74.06093	2.6
77.47311	0.6
79.05496	3.7
80.05047	1.1
81.03424	0.8
81.07059	8.7
82.05609	0.6
82.06586	1.7
83.04975	0.9
83.08610	3.1
84.04547	0.7
87.04445	0.6
90.05551	1.1
90.12930	0.6
91.05486	4.0
93.07031	3.1
94.06514	1.0
95.04939	0.9
95.08608	6.0
95.18625	0.6
96.08163	1.0
97.06552	1.0
97.10194	1.6
105.07066	2.2
107.08610	3.3
109.06526	0.8
109.10151	5.9
119.08607	2.8
121.10172	1.8
122.09693	0.8
123.08070	1.1
123.11730	1.4
133.10164	1.4
135.11757	1.4
137.09639	1.8
151.07567	1.0
168.00574	0.7
243.13371	0.7
245.22652	1.2
250.25334	1.2
262.25302	1.7
268.26416	0.9
280.26404	12.7
298.27405	14.2
299.20013	0.9
301.06519	0.9
316.08917	1.5
316.28467	31.0
317.21088	2.1
317.29233	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71002	0.3
53.03959	0.4
55.01877	0.9
55.05517	4.0
56.05035	0.6
57.03436	0.6
57.07082	0.4
58.00487	0.3
59.05021	0.4
60.04532	2.4
62.06094	1.2
65.03945	0.3
65.13776	0.3
65.98740	0.2
67.05511	8.7
68.05029	0.3
69.03433	1.3
69.07080	2.8
70.06595	2.6
70.07427	0.3
71.01366	0.3
71.05002	2.0
71.07383	1.1
71.08629	0.3
71.40885	0.3
71.51445	0.3
72.08159	5.3
72.66872	0.2
73.02934	0.3
74.80115	0.2
75.50789	0.2
76.77741	0.2
81.03436	1.1
81.05807	0.6
81.07066	6.0
82.06583	0.4
83.04984	0.7
83.07383	0.7
84.04509	0.7
84.08167	1.9
85.02913	0.6
85.06573	0.5
86.06075	34.9
86.09698	0.5
88.03997	0.4
91.05492	13.0
93.07056	7.1
94.06579	0.6
95.04994	1.0
95.08615	20.0
96.08139	9.2
96.08778	0.4
97.06532	0.9
98.06067	2.9
98.09702	11.8
99.04456	1.6
100.07611	0.7
101.06067	0.3
105.07042	3.1
106.05035	1.6
106.62818	0.2
107.04952	0.5
107.08614	1.7
108.08131	5.2
109.06528	0.7
109.10158	4.8
110.09698	1.5
111.08086	0.4
112.07613	0.8
113.06012	0.4
113.08395	0.4
114.09189	1.6
116.10743	80.9
117.07011	0.9
117.11106	0.3
119.08595	16.6
119.93929	0.3
120.08080	0.3
121.02843	0.4
121.06521	0.4
121.08894	0.5
121.10159	0.8
122.09673	2.5
123.08060	1.7
123.11742	0.5
124.07587	3.2
126.09192	1.5
129.07021	0.5
131.08614	0.3
133.10139	0.6
134.09674	0.6
135.08095	0.4
135.10454	0.4
136.11227	0.7
137.09627	10.2
138.09155	0.7
139.09932	0.3
140.10739	0.7
142.08646	6.9
145.02856	20.7
145.10124	0.3
146.02083	0.3
146.03279	0.4
147.08066	4.0
147.11684	0.9
148.11217	0.4
152.10803	0.6
155.10623	0.4
159.10260	0.4
159.11783	0.3
165.09184	1.5
165.12817	0.5
174.20006	0.2
177.05495	1.2
181.12256	0.6
183.10330	0.4
183.13852	0.4
185.11763	0.7
194.19154	0.6
196.17004	1.0
206.15486	0.4
206.18832	0.3
208.00650	1.1
208.13388	0.4
208.16920	0.7
209.11781	0.9
210.18486	0.3
210.70943	0.3
220.16997	1.1
227.06660	0.3
227.12827	1.1
231.02899	1.0
234.14943	0.4
234.18610	0.4
236.20091	1.1
238.18042	2.4
241.01311	0.9
244.15472	0.4
245.04491	0.7
245.13885	2.8
252.15948	0.6
252.19679	0.4
254.21173	6.5
255.06131	1.6
256.19110	6.5
259.02301	0.4
262.18091	0.8
268.19061	0.3
273.03961	10.4
275.02371	0.5
280.19125	8.1
283.05518	2.0
288.06250	0.4
298.16501	1.0
298.20084	6.1
301.06708	0.8
302.07111	0.3
311.39096	0.3
316.05789	3.9
316.09109	3.7
316.21213	100.0
317.21503	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.0
55.01868	4.4
55.05514	16.1
56.05025	6.2
57.03433	3.5
58.06586	3.8
58.73202	1.5
59.35854	1.7
60.04533	33.2
67.05510	15.9
68.05025	2.4
69.03419	6.2
69.07068	10.6
69.83311	2.7
69.83589	9.1
70.02953	5.9
70.06583	8.1
71.05000	8.3
72.04512	2.9
72.08173	10.1
79.05489	18.4
80.04990	6.3
81.03423	46.4
81.07063	21.7
82.06574	4.9
83.04990	14.4
83.08200	2.3
83.08624	17.9
84.04495	3.4
84.08153	3.5
85.02904	2.6
86.06078	4.1
86.09721	3.2
88.04012	13.1
91.05483	17.4
93.07058	16.3
94.06541	5.1
95.04977	17.6
95.08609	9.7
96.04479	5.0
97.02884	2.1
97.06522	3.8
97.10145	7.3
98.06035	4.3
105.07047	13.1
106.05042	61.4
107.04952	3.2
107.08575	6.9
108.08109	2.0
109.06522	3.0
109.10128	2.6
110.06030	6.1
111.08085	8.3
116.03450	6.5
119.08604	10.5
121.10120	6.5
122.06014	2.1
123.08091	2.5
125.09569	4.1
127.11208	7.3
129.07031	6.1
131.08578	8.3
133.06511	2.0
133.10118	6.7
138.09076	2.2
139.11127	1.9
142.07745	1.9
145.10065	2.3
147.08051	3.1
147.11699	8.5
149.09605	6.2
154.08640	29.2
157.10114	8.1
162.12840	2.2
166.08624	2.1
173.92766	1.8
175.11166	13.6
180.13811	5.4
190.12248	2.3
193.12263	53.8
198.14867	3.0
208.13336	27.8
211.13313	100.0
226.14412	44.0
227.14728	1.8
234.14882	2.5
236.12846	3.5
238.01334	1.9
242.17560	3.3
244.15439	12.4
252.15965	6.3
253.19666	2.4
254.13815	21.9
270.16962	7.2
272.14938	44.2
298.16510	4.6
316.17535	27.8
317.11279	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	315.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	16.7
57.03460	5.9
58.46153	4.0
66.47919	4.3
67.05526	32.6
69.03436	6.7
69.07056	8.6
69.98931	14.2
72.49890	4.4
79.05493	28.2
80.94200	4.6
81.07057	64.3
83.00062	4.9
83.08609	6.7
91.05482	28.8
93.07056	49.7
95.04955	9.1
95.08607	75.6
97.06555	8.0
98.97585	4.7
105.07036	62.8
107.08614	44.2
108.02107	4.8
109.06476	10.1
109.10158	27.6
117.07028	17.6
119.04890	6.2
119.08591	51.9
121.02895	7.8
121.06493	8.4
121.10175	31.6
123.08073	5.9
123.11791	9.8
128.06175	4.8
129.06993	13.6
130.07774	6.6
131.08594	34.0
132.05707	5.1
133.10147	26.0
135.08069	8.5
135.11699	11.0
140.66917	4.6
143.08571	21.4
145.10120	45.7
147.08014	7.3
147.11702	27.0
155.08560	7.3
157.10130	20.2
159.08058	6.7
159.11685	46.3
161.09692	7.9
161.13303	27.0
163.11241	4.6
167.08464	4.7
170.10876	5.5
171.11705	16.9
173.09621	5.7
173.13252	22.5
175.07594	8.7
175.14838	5.2
181.04948	5.3
185.13232	20.2
187.14847	6.3
189.09152	10.0
199.14870	28.7
201.12849	5.5
213.16386	14.6
215.10728	6.1
217.12218	6.6
227.17950	9.5
229.12289	15.5
251.18126	5.9
254.05740	24.5
255.21129	100.0
269.18997	15.8
271.17041	6.0
282.05365	16.4
287.20071	5.2
297.18622	7.2
300.06195	15.2
315.05139	6.3
315.08560	72.0
315.12302	22.7
315.19540	65.7
315.23184	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01881	3.0
55.05513	3.2
57.03426	1.9
59.04987	1.9
67.05180	2.1
67.05508	30.0
69.03439	9.9
69.07068	2.0
69.75703	3.1
69.76105	6.9
71.04987	6.5
79.05486	5.7
81.03394	2.1
81.07052	6.5
85.02895	1.8
87.04456	3.3
91.05483	54.8
93.07047	35.6
95.04951	4.5
95.08612	57.1
97.02920	2.8
99.04444	2.1
105.07027	5.8
109.06532	2.1
109.10162	29.1
111.08098	2.1
115.03915	6.8
117.07038	3.1
119.08585	100.0
121.10125	3.3
123.08047	4.4
129.06958	2.1
137.05986	2.5
137.09624	90.7
147.08054	24.1
154.09137	1.6
155.10663	9.1
161.06017	1.8
164.74857	1.6
165.09119	41.2
183.10178	16.9
193.18297	1.6
201.11212	10.0
251.12796	19.4
269.13828	19.4
283.09650	4.2
297.13242	9.0
315.14453	3.2
315.19623	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1228
Annotation	Ponganone VII
Peak:m/z	Relative Intensity
53.03938	0.8
55.01871	1.1
55.05503	0.6
65.03930	2.4
65.06934	0.4
67.05505	0.6
69.03410	1.1
70.06571	2.1
70.92651	0.7
70.92978	0.8
72.08141	2.0
74.67845	0.5
79.05476	2.3
81.07039	1.6
83.04984	0.7
84.08134	1.2
85.02924	0.7
86.09694	1.0
91.05482	8.2
93.03432	2.3
93.07027	1.1
94.04185	4.2
95.04968	1.2
95.08601	0.8
97.02922	3.3
98.03217	1.4
103.05479	4.8
105.03391	1.1
105.07081	0.9
107.04987	2.3
109.06519	3.1
111.04445	2.9
118.93023	0.5
119.04945	1.6
119.08595	0.7
121.06487	2.6
122.03648	8.4
125.06023	3.4
129.10234	0.8
131.04935	18.2
133.02850	5.4
133.06496	0.9
134.03621	0.7
135.04416	1.2
135.08026	1.5
136.06207	5.7
137.05972	100.0
145.06464	1.2
146.03636	1.0
147.04414	1.7
149.05972	3.5
150.06778	1.1
151.03897	3.3
151.05026	1.0
151.07555	2.1
152.06198	3.0
153.05495	5.4
153.06746	1.0
154.08691	2.3
155.08540	0.7
158.03615	0.7
159.04425	8.0
161.06003	4.1
163.03801	0.8
163.07529	6.4
165.01775	0.6
165.05499	4.8
165.07013	4.7
165.09102	0.6
166.07758	2.7
167.07275	0.9
167.08582	9.1
167.52780	0.5
169.06529	1.5
176.04761	0.6
176.06242	1.0
177.05469	1.5
177.07007	4.1
178.07758	1.3
179.07092	0.9
179.08652	0.7
181.06476	2.0
183.08032	1.9
188.83002	0.5
191.06984	4.4
193.06528	1.9
194.07281	4.9
195.08060	11.4
197.06001	2.2
205.06480	7.1
207.07971	0.8
208.67349	0.5
209.06067	0.8
209.09602	1.4
210.06772	1.4
211.07571	2.1
212.08351	1.7
213.09023	0.6
221.05946	2.1
222.06804	5.1
223.07556	9.5
224.08197	0.6
225.05525	1.2
225.09082	2.7
226.09798	1.0
227.10655	2.9
233.06059	3.4
234.06757	1.1
235.07536	0.6
237.09108	10.1
239.07001	1.7
240.07767	2.0
244.10638	0.6
250.06215	2.6
251.07103	3.9
253.08664	3.5
254.09497	0.9
255.10139	10.9
265.08630	10.3
266.09317	1.0
268.07349	0.7
269.08081	0.7
269.11752	0.8
270.08951	0.9
282.08954	0.8
283.09637	5.1
285.11380	1.6
287.12952	1.1
297.11255	4.7
315.05145	4.4
315.11810	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	315.0865
Annotation	Gnaphaliin
Peak:m/z	Relative Intensity
55.05511	0.5
56.96568	0.4
62.15255	0.3
67.05499	1.1
69.07055	0.5
69.68845	2.2
79.05490	0.7
81.07053	1.2
83.01372	0.4
83.04961	0.4
91.05476	1.0
93.07024	1.4
93.90785	0.3
95.04951	0.6
95.08604	1.1
97.06558	0.6
105.07018	1.7
107.04939	1.8
107.08583	1.1
109.10122	0.8
111.04417	0.4
118.04138	1.0
119.04956	1.5
119.08597	1.2
120.05721	2.6
121.02878	1.6
121.10114	0.4
123.08058	0.4
124.01544	0.5
127.11128	0.4
129.06960	0.4
131.08517	1.0
133.06517	0.5
133.10132	0.6
135.08069	1.2
139.00235	0.7
141.06927	0.5
143.08566	0.9
145.10109	1.1
147.08092	0.4
147.11670	0.4
151.00276	1.4
151.07547	0.4
152.01013	0.9
153.01825	1.5
155.08617	0.4
157.10144	0.8
159.11731	0.9
161.09628	0.5
165.01820	0.7
166.99733	0.4
169.10106	0.7
171.11745	0.5
173.09604	0.5
173.13321	0.6
175.11186	0.5
181.01366	0.7
183.11696	0.4
185.00887	0.3
187.03969	0.4
187.11261	0.4
189.09105	0.7
189.12811	0.4
195.11813	0.4
197.06007	0.4
197.13324	0.4
198.01540	1.5
203.10724	0.3
209.13239	0.6
213.05458	0.4
213.12848	0.4
215.10793	0.7
219.17497	0.4
222.69141	0.3
223.14778	0.5
225.16595	0.4
229.12178	0.9
242.05795	0.7
253.04724	0.5
254.05731	1.5
255.06627	0.6
257.04434	1.1
263.62061	0.4
265.04996	0.5
269.04425	0.7
269.19046	0.8
270.05252	1.6
271.06030	31.4
272.06454	0.7
281.04474	1.2
282.05188	1.5
283.06039	6.4
285.03928	1.4
286.04742	5.1
287.05557	0.8
297.03946	1.3
297.18430	1.3
297.21658	0.6
299.05518	33.8
300.06302	24.9
315.08633	100.0
315.19138	4.8
316.09048	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0864
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
55.05515	0.6
67.05508	0.5
69.03448	0.3
71.10393	0.6
81.07071	0.7
87.81667	0.3
91.05498	0.5
93.07054	0.4
95.08617	0.4
104.07946	0.3
105.07038	0.7
108.02113	5.1
118.04173	0.7
119.04929	1.2
120.05724	1.7
121.02148	0.4
121.02861	2.3
123.00819	0.4
124.01562	0.4
131.08505	0.5
132.60976	0.4
136.01559	0.7
137.05986	0.6
141.07033	0.4
145.02878	1.5
147.04416	0.6
152.01024	0.9
153.06992	0.5
154.02637	1.2
169.06480	1.4
170.02254	0.4
170.07292	3.2
173.13142	0.5
181.01334	1.3
181.06522	1.4
197.06007	3.3
198.06755	1.1
199.07526	0.5
200.04706	1.8
225.05484	3.3
226.06261	5.2
242.05821	0.8
253.04927	0.8
254.05772	17.2
255.06523	1.1
257.04611	0.5
266.29111	0.3
270.05386	1.8
270.08102	0.5
271.06058	7.0
282.05258	19.3
283.06039	0.7
283.09497	0.5
285.03961	2.1
286.04730	2.8
297.03799	0.8
299.01950	0.6
299.05524	31.8
300.06323	8.3
315.08646	100.0
316.09015	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0866
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
52.12307	0.3
54.66805	0.3
56.31420	0.3
57.03420	0.3
68.92253	0.3
70.29890	1.1
79.05455	0.3
81.07001	0.3
88.66268	0.3
91.05461	0.4
95.08624	0.6
97.06510	0.4
98.20831	0.4
105.07024	0.6
107.08578	0.6
108.02104	11.0
118.04164	1.1
119.04948	7.1
119.08587	0.6
121.02875	4.8
126.66372	0.3
131.08539	0.4
136.01567	11.6
136.25157	0.3
141.06870	0.4
152.01047	0.8
153.01968	0.4
153.06960	0.5
154.02605	4.8
169.06425	1.6
170.07318	1.7
181.06473	0.7
187.11177	0.5
189.09154	0.6
197.06036	1.7
198.06676	0.5
201.12874	0.6
208.05235	0.5
215.10692	0.5
225.05537	0.3
226.06253	6.8
229.12262	1.4
229.15791	0.4
252.04343	0.4
253.05006	0.5
254.05756	48.2
255.06128	0.9
257.04480	1.5
269.18985	0.6
270.05249	0.9
271.06012	3.1
271.17017	2.8
281.04553	0.6
282.05246	39.3
283.05740	0.9
285.03922	1.3
297.18381	0.7
299.05435	2.3
300.06311	13.6
315.08630	100.0
315.19049	2.9
316.08905	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0863
Annotation	3-O-Methylalnusin
Peak:m/z	Relative Intensity
53.59039	0.2
55.01881	0.3
57.53831	0.2
59.94746	0.2
61.22415	0.2
66.12666	0.2
68.99792	0.8
70.70571	0.5
71.01344	0.3
79.05515	0.2
80.06525	0.2
81.33279	0.2
84.02119	0.5
85.97997	0.2
99.00818	2.2
103.05441	0.2
105.07030	0.2
112.01595	2.2
112.33895	0.2
126.21497	0.2
127.00289	2.4
132.05745	1.1
133.06511	3.8
135.04425	5.9
137.02248	0.2
140.01065	1.8
142.15259	0.2
154.99762	0.8
161.06000	0.3
168.00549	32.2
174.06760	0.6
186.01607	7.7
198.06813	0.4
201.05565	0.4
226.06367	0.3
229.04987	0.4
254.05792	0.3
255.21182	0.2
257.04474	3.4
268.75540	0.2
269.04257	0.3
269.08295	0.3
271.06100	0.4
272.06824	1.8
282.05588	0.2
285.03976	1.5
297.07568	0.3
299.05450	1.3
300.06299	100.0
301.06628	1.0
315.08630	99.4
316.09024	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0865
Annotation	Coeloginin
Peak:m/z	Relative Intensity
55.01864	0.4
57.53130	0.3
62.48608	0.3
65.03941	0.7
69.03450	0.3
70.02754	1.6
79.05479	0.6
80.69798	0.3
81.03397	0.8
81.07063	0.3
85.35506	0.3
92.02620	0.7
95.01328	0.4
95.04995	0.7
105.03404	2.1
105.07037	0.4
107.01321	0.5
107.04943	0.6
108.02077	1.9
109.02899	0.4
110.03676	2.6
116.44845	0.4
117.06990	0.4
118.04139	0.3
118.07868	0.4
120.02109	2.2
121.02850	1.0
122.03646	0.6
123.00807	0.4
123.04465	3.5
124.01041	0.3
125.05903	0.4
133.02884	0.5
134.03615	2.4
135.04420	1.4
136.01569	1.5
136.05205	13.7
137.01379	0.5
137.02350	6.8
138.06760	0.5
141.07001	0.7
145.02916	0.5
148.01546	1.8
149.02342	0.8
150.03119	1.1
151.00316	2.0
152.06198	0.7
153.01741	0.3
161.02353	4.8
162.03101	0.5
163.03915	2.7
165.01846	4.9
166.02670	1.7
169.01323	0.6
169.06436	1.8
170.07068	0.4
173.06117	0.5
181.04971	11.3
181.06454	0.6
184.03712	0.7
184.05226	0.8
185.05997	0.4
191.03441	0.6
193.62439	0.3
196.05225	0.4
197.05962	3.2
198.06673	0.8
199.07520	0.8
201.05449	1.0
207.06636	0.4
208.05264	0.5
212.04729	0.6
213.05557	0.6
215.07036	2.3
216.07916	0.4
225.05493	3.7
226.06215	1.7
227.07004	1.5
228.07697	0.7
229.04970	1.1
230.05823	0.5
231.10242	0.6
237.05530	0.7
241.04959	1.5
241.08600	0.7
242.05702	0.5
243.06554	2.1
244.07338	1.1
253.04980	3.6
254.05794	2.7
255.06526	2.5
256.07260	1.1
257.04474	1.3
259.09698	5.2
265.04871	0.5
269.04855	0.7
269.08112	2.9
271.06021	16.3
272.06665	1.5
281.04459	1.4
282.05222	0.6
283.05972	1.0
285.03940	0.8
286.04718	2.1
287.05548	2.4
287.09088	1.2
297.04163	0.3
297.07547	0.9
299.05481	5.4
300.06296	5.9
315.08621	100.0
316.08972	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.6
55.01865	1.3
57.28635	0.7
67.05494	1.5
67.63451	0.6
68.99795	1.5
69.20848	2.0
69.21255	4.3
79.05500	1.0
81.07051	1.4
85.02910	12.0
87.53577	0.6
91.05471	2.4
93.07049	1.4
95.04984	0.9
95.08602	1.7
97.06562	1.3
97.22820	0.7
105.07038	2.5
107.08596	1.8
109.10181	0.7
113.02376	17.1
117.07002	0.9
119.04950	7.3
119.08583	1.7
121.02872	10.5
121.06512	0.9
121.10158	0.9
129.06961	0.8
131.08594	1.7
132.05707	2.1
133.10121	1.9
135.08081	1.0
137.05913	0.7
139.00255	1.0
143.08606	1.2
145.10114	1.3
147.04408	4.8
147.08064	1.9
147.11707	0.9
155.06085	0.6
157.10088	0.7
159.11726	0.7
160.05212	2.5
161.09647	1.2
166.99855	1.1
169.01331	36.3
171.11685	1.0
178.18729	0.7
185.13235	0.8
187.03976	1.5
188.04707	1.6
197.00826	22.1
200.04721	2.8
215.01878	15.5
215.03394	0.5
215.10567	0.9
216.04210	2.2
231.14000	0.7
244.03708	1.3
250.22385	0.6
251.17924	1.2
259.06134	0.6
269.04459	1.1
269.19046	2.8
272.03183	8.4
287.05469	6.7
296.48947	0.7
297.03949	1.6
297.18549	0.9
300.02670	3.1
300.06024	1.5
315.05005	100.0
315.19437	5.2
315.22940	1.1
316.05212	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12969	19.5
68.32626	23.0
69.90473	63.4
75.40186	20.0
78.07151	20.1
79.05541	21.8
81.07040	31.2
93.07062	41.9
95.08614	47.9
97.06549	22.3
104.98717	23.2
105.07051	57.0
107.08607	81.2
109.10174	34.4
119.08588	45.1
125.09652	100.0
131.08592	27.1
145.10135	85.5
159.11732	30.4
201.16379	56.9
219.17485	48.5
270.87793	19.9
298.10413	22.3
314.14130	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	315.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.9
55.01859	0.5
59.70550	0.4
67.05494	0.7
68.99780	0.6
69.03440	0.5
69.07034	0.6
69.24387	0.5
70.31498	1.5
71.01359	9.3
72.83424	0.4
76.43026	0.5
79.05492	1.8
91.05460	1.2
93.07046	0.9
95.04956	1.0
95.08614	0.8
99.00820	15.8
103.05440	0.7
105.07027	2.0
107.04911	0.4
108.61095	0.4
117.07056	0.7
118.04166	1.7
118.72113	0.5
119.08577	0.6
122.80011	0.5
133.06497	20.9
135.04419	12.0
135.05434	0.4
135.08008	1.1
136.34372	0.4
137.77980	0.4
138.06012	0.5
145.06578	0.5
147.07968	0.6
154.99756	36.7
161.06003	0.5
173.00813	0.8
175.07556	2.0
182.99257	20.2
185.05925	0.9
201.00313	23.4
203.07027	1.3
209.46143	0.5
213.05490	1.1
241.04825	0.6
251.17952	0.6
269.19080	1.1
285.04126	0.6
287.05533	12.5
297.18536	0.9
300.06271	0.9
302.77609	0.4
315.05002	100.0
315.08301	4.9
315.19412	2.7
316.05408	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1962
Annotation	Heleurine N-oxide
Peak:m/z	Relative Intensity
53.03933	1.0
55.01875	3.3
55.05281	0.6
55.05517	9.6
56.05039	6.9
57.03436	1.3
67.05183	1.0
67.05509	13.3
68.05022	1.7
68.86627	0.6
69.03432	9.6
69.07066	5.1
70.06306	0.6
70.06599	6.4
70.18916	2.4
71.04997	5.7
72.04519	0.8
74.06064	1.0
79.05064	1.2
79.05495	12.5
80.05010	2.9
81.03424	7.9
81.06593	1.3
81.07062	23.2
82.06577	3.2
83.04984	7.3
83.08624	5.2
84.04057	0.8
84.04511	11.6
84.08124	3.0
85.02912	2.3
85.06532	2.2
86.06075	42.2
86.09698	1.4
87.04472	38.1
91.05489	9.3
93.07043	11.5
94.06573	2.3
95.04997	3.8
95.08612	11.5
96.08142	4.1
97.06528	8.4
97.10180	2.4
98.06065	9.9
98.20805	0.8
100.11269	1.0
102.05547	5.8
104.07117	10.1
105.07037	7.4
105.21017	0.7
106.06587	1.0
107.04922	0.9
107.08600	8.3
108.08109	1.9
109.06500	2.2
109.10152	2.2
110.06046	3.0
110.09679	1.1
111.08071	3.3
112.07620	11.7
114.05534	0.9
114.09177	1.4
117.07003	1.9
119.08579	5.0
121.06454	1.2
121.10172	5.0
122.09741	0.7
123.08071	1.8
123.11668	1.4
124.07607	6.6
124.20345	0.7
125.09612	1.6
126.09148	1.2
129.07027	1.5
131.08563	4.8
133.10078	3.6
135.11711	2.1
136.07532	1.3
137.05986	1.6
137.09587	1.9
138.06235	0.8
138.09128	1.8
138.12767	2.4
140.07068	3.0
142.08650	6.6
147.08029	0.9
147.11708	4.9
148.07532	1.5
149.09627	16.7
149.13268	1.3
151.07550	1.1
154.12422	0.6
156.10199	1.0
157.10146	1.9
158.08101	5.9
159.11687	1.5
164.14415	0.9
165.12767	2.2
166.12277	1.7
175.11249	4.3
177.12807	1.7
178.04785	0.6
182.15422	3.5
184.06120	0.8
184.13316	2.7
192.13928	1.1
193.12286	11.8
194.15410	1.7
195.13762	4.4
201.11157	0.9
210.14865	13.0
211.13306	14.9
212.16550	3.4
213.14894	3.7
228.15996	4.3
230.17523	1.2
250.14569	1.1
250.17995	3.5
260.16577	3.6
268.15408	0.8
268.19153	2.4
270.17010	16.0
278.17514	8.6
284.18985	0.8
296.15167	1.4
296.18494	7.2
314.16382	4.0
314.19611	100.0
315.19931	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47591	3.5
67.05495	4.8
69.03413	5.4
70.06586	14.1
71.49838	4.9
72.08145	16.1
73.06562	59.9
80.73624	3.8
81.07040	5.7
84.04484	5.8
85.02889	10.9
86.09703	6.0
89.06030	25.1
97.02885	8.4
116.07076	4.2
117.09119	4.7
124.07614	4.2
135.10173	100.0
136.06184	5.1
152.07074	13.1
179.61960	3.7
193.06360	4.5
215.13821	7.1
246.12399	3.7
250.68100	3.9
314.13678	3.9
314.19632	4.8
324.14252	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	313.983
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26470	5.3
71.50086	6.1
94.92992	9.2
102.24093	7.4
110.19106	6.0
112.89595	8.8
114.89329	20.9
136.06126	11.1
145.68140	6.9
156.04260	7.8
227.98276	17.5
313.98306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	0.4
57.03430	0.6
61.01160	1.1
69.03436	2.4
70.06589	1.0
71.49579	0.5
72.08156	0.4
73.02935	0.4
75.55415	0.3
84.08136	0.3
85.02910	1.2
92.16355	0.3
95.06071	1.7
97.02901	44.7
98.97591	1.1
105.75547	0.3
118.19685	0.3
119.01838	0.4
119.03588	0.8
127.03917	0.4
130.15565	0.3
134.09645	0.4
135.05389	0.8
136.06198	100.0
137.06570	0.3
143.01682	3.2
144.02058	0.5
148.06223	0.9
150.07741	0.5
152.07016	0.4
152.10706	1.1
156.04201	1.3
161.02740	2.0
162.03204	0.4
162.07759	0.5
164.05698	5.5
177.00941	0.7
178.07251	2.5
179.03745	2.1
211.14461	0.8
219.01933	0.4
233.06885	0.7
248.07780	1.0
250.09413	0.7
270.21494	0.4
276.10019	0.4
278.07178	0.6
294.11017	1.0
296.08170	4.0
314.09357	7.5
314.12863	0.8
314.16150	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91570	0.3
55.05275	0.4
55.05516	5.1
57.03443	9.9
57.07080	47.5
67.05506	8.3
69.07072	6.2
69.25202	0.4
69.25509	3.8
69.50709	0.4
71.04974	0.5
71.08636	28.2
71.34343	0.4
75.04478	0.4
79.05486	1.1
81.06593	0.6
81.07061	10.5
83.08144	0.6
83.08624	7.3
83.80636	0.4
85.06570	0.5
85.10191	15.0
86.10562	0.3
87.04494	0.6
89.06020	1.3
93.07038	0.9
95.08620	14.5
97.06554	0.3
97.10196	2.9
98.20448	0.3
99.11731	0.6
103.07572	1.1
109.10165	7.6
111.11731	1.0
117.09059	0.7
121.10078	0.4
123.11711	2.8
123.81940	0.4
128.95186	0.4
137.13222	1.1
151.14819	0.4
193.61531	0.5
239.23669	1.5
241.48857	0.4
257.24850	2.1
313.27383	100.0
314.27728	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2375
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
52.52383	3.7
53.00298	3.9
53.03960	4.7
55.01868	10.9
55.05516	48.6
56.93270	3.6
57.03428	10.7
57.07076	25.7
59.52059	3.2
67.05508	100.0
69.07072	81.1
71.04984	27.3
71.08640	33.4
71.50738	5.6
79.05495	58.4
81.03415	9.3
81.07059	83.8
83.04977	22.2
83.08622	25.6
85.02924	4.2
85.06546	14.3
85.10182	27.0
89.94524	3.4
91.05498	34.5
93.07049	73.7
95.04982	21.4
95.08611	73.5
97.06516	27.3
97.10191	21.4
99.08089	32.4
105.07035	37.3
107.08602	49.2
109.06517	8.2
109.10171	34.3
111.08060	8.6
111.11747	10.5
113.09649	45.2
117.07020	8.7
119.08590	33.9
121.06507	7.5
121.10146	42.4
123.08079	7.9
123.11745	9.6
125.09674	16.8
127.11200	6.5
128.06248	5.3
129.07016	11.0
131.08574	20.5
133.10143	25.8
135.08086	8.4
135.11691	15.3
137.09612	4.9
139.11179	31.7
141.06973	6.3
141.12735	31.9
142.07802	9.6
143.08591	19.3
145.10152	30.5
147.07997	5.0
147.11665	20.2
149.09619	15.6
149.13269	11.4
151.11188	16.5
153.12802	4.4
155.08591	6.6
156.09410	4.8
157.10141	16.7
159.11696	13.4
161.13248	12.0
163.11194	13.7
165.12778	12.7
167.10663	10.4
169.10139	5.7
169.12280	12.3
171.11740	16.7
173.09618	11.2
173.13252	10.3
175.11189	5.1
175.14766	7.9
179.08562	7.1
179.14331	4.6
181.10045	4.4
181.12299	4.6
183.11691	9.3
183.13824	9.5
185.11740	22.4
185.13312	8.7
187.11203	4.2
187.14885	5.4
189.11281	9.7
194.10950	5.2
195.11713	5.6
197.13277	5.5
199.07529	4.5
199.11296	3.7
199.14886	5.9
203.12788	7.4
209.13284	15.4
221.15414	5.2
225.12834	4.9
227.14346	8.6
240.48967	3.9
241.19611	5.3
249.22076	3.9
253.19504	6.2
255.17198	3.7
257.15286	4.0
259.20657	10.9
277.18854	5.4
277.21646	70.2
290.11197	4.5
295.17404	4.3
295.22778	85.6
313.14413	7.9
313.17908	13.0
313.21609	39.8
313.27411	8.2
330.84415	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	313.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01868	1.9
55.05505	4.3
57.03428	0.8
57.07063	0.9
65.03933	1.2
67.05518	4.7
69.03439	5.7
69.07068	2.5
69.64949	0.7
70.06586	2.4
70.80746	0.8
71.04997	1.5
71.05446	1.3
71.05782	1.0
79.05503	12.2
81.03425	1.1
81.07066	5.1
81.07473	0.8
83.04968	3.7
83.08603	1.7
85.02912	5.4
91.05486	10.4
93.06483	1.5
93.07052	22.0
95.04969	2.6
95.08586	5.5
97.02872	3.1
97.06515	2.2
100.11267	1.0
105.07028	7.1
107.04958	2.0
107.08601	100.0
109.02908	1.1
109.06522	3.1
109.10138	2.3
111.04455	0.8
111.08099	4.0
115.03938	1.8
115.05424	1.3
117.07031	1.5
119.08608	4.3
120.08092	2.5
121.02879	1.6
121.06492	2.4
121.10134	3.8
122.03602	1.3
123.04442	0.9
123.08086	2.0
123.11733	1.6
126.62182	0.8
129.07036	1.6
131.08592	1.3
133.04956	1.3
133.06500	2.0
133.10045	1.0
135.04381	1.2
135.08052	3.2
135.11700	95.1
137.05959	5.0
137.09569	0.8
137.52747	0.9
139.07526	4.6
145.06531	0.8
145.10133	3.3
145.17880	1.0
147.08051	1.4
149.09485	0.9
151.03964	4.5
151.07558	27.4
153.09097	1.2
161.05957	1.4
163.03966	2.3
163.07529	2.3
163.11194	42.4
165.01898	0.9
168.13893	1.2
169.08693	1.2
175.07541	0.8
180.00601	1.1
181.05026	0.9
181.08742	1.2
181.12248	19.6
189.09152	1.9
191.10655	1.6
195.02991	2.4
197.10693	1.9
198.01576	2.2
209.11763	2.9
211.08685	3.0
212.09471	1.9
213.05598	1.1
214.06335	1.9
225.10312	5.8
226.11095	1.7
239.08232	1.2
252.07922	1.0
253.09706	1.0
257.12796	1.2
270.05289	2.0
271.10718	3.6
285.12439	5.3
295.11893	1.2
298.04727	13.2
298.07916	1.7
313.07053	19.9
313.11237	6.4
313.16769	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01873	32.9
55.05503	9.5
57.03436	2.6
57.30614	2.2
57.69218	2.3
65.03931	3.5
67.05518	17.5
69.03438	13.4
69.07068	25.6
70.67740	4.2
70.68113	5.5
71.04978	6.6
79.05505	29.9
81.07065	37.3
83.04968	7.6
83.08614	6.5
83.30450	2.3
85.02880	2.8
85.06535	8.4
87.04458	5.5
91.05486	27.9
93.06489	4.5
93.07055	80.1
95.04961	10.8
95.08615	27.8
97.02901	3.5
97.06544	24.0
99.04440	3.3
105.07042	32.1
107.04949	3.6
107.08598	60.3
109.06532	32.5
109.10180	3.7
111.08089	22.9
111.11716	2.8
113.06046	4.2
117.07014	9.2
119.04945	4.9
119.08597	10.0
121.06500	12.7
121.10157	30.0
123.08076	17.0
125.06059	3.1
129.07031	3.3
130.07794	3.0
131.08543	3.4
135.08046	13.1
135.11699	16.7
137.05981	15.8
139.11159	8.1
143.07043	9.6
145.10136	24.7
147.11682	4.7
149.09633	16.2
151.07561	35.7
153.09097	5.0
153.12672	3.0
155.07018	13.8
157.06540	2.6
163.07549	8.9
163.11191	58.9
167.10696	24.0
169.08621	100.0
169.10103	4.8
173.09639	8.8
174.06816	2.8
175.07576	3.5
181.08717	4.0
181.12230	21.8
189.09149	9.7
191.10687	39.4
209.11749	38.0
227.12857	11.9
237.11339	3.0
255.12283	13.1
269.07663	3.2
295.15363	12.0
313.07260	3.9
313.10858	4.6
313.16815	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.9
55.01870	28.6
55.05519	11.7
57.03444	4.9
61.89955	1.9
63.28040	2.0
67.05508	21.7
69.03432	13.7
69.07074	23.5
70.06590	2.8
71.04996	4.4
71.51239	3.2
71.75130	2.0
73.02920	2.2
74.04448	2.0
75.06652	1.9
79.05496	27.1
80.39917	2.1
81.07056	27.5
83.04987	3.2
83.08631	6.6
85.02935	2.1
85.06520	5.5
87.04481	3.2
91.05486	29.3
93.07052	75.0
95.04971	8.8
95.08617	26.3
97.06529	16.0
99.04449	3.4
105.07039	27.6
106.78902	2.1
107.04970	3.7
107.08602	50.4
108.46552	2.3
109.06519	27.8
109.10134	2.2
111.08083	26.0
111.08778	2.6
113.06013	4.4
117.07041	8.2
119.04945	6.6
119.08612	7.2
121.06511	11.0
121.10121	18.9
123.07325	2.1
123.08067	13.8
125.09609	2.7
127.03838	2.6
128.06227	2.3
129.05528	5.3
129.07004	6.7
133.06512	3.2
135.04471	4.6
135.08055	14.9
135.11716	10.7
137.05977	16.7
139.11197	6.7
143.07034	15.0
143.08406	2.5
145.06432	2.8
145.10138	25.6
147.11705	6.5
149.09625	13.4
151.03923	3.3
151.07561	32.3
153.09148	5.0
155.07048	14.0
155.08368	2.1
157.06500	4.3
163.07576	6.6
163.11185	50.5
167.10696	18.5
169.08621	100.0
173.09607	4.6
181.12250	13.6
189.09160	13.8
191.10698	24.6
209.11749	40.2
211.07596	2.5
227.12779	4.7
237.11172	3.9
252.07820	2.6
253.08530	4.2
255.12276	8.4
268.20801	2.0
283.96039	2.5
295.15570	6.0
313.07074	4.9
313.10968	6.9
313.16718	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	311.2947
Annotation	ent-8alpha,15-Labdanediol
Peak:m/z	Relative Intensity
53.03936	2.2
55.01850	1.9
55.05521	28.0
56.05944	1.6
57.03436	8.5
57.07082	100.0
59.04994	2.7
67.05510	29.3
69.03397	2.7
69.07077	42.4
69.70815	4.6
69.71221	6.0
71.04992	2.5
71.08633	4.6
74.06077	1.6
79.05502	13.2
81.06591	3.4
81.07063	63.0
83.04982	4.3
83.08627	28.2
85.06550	13.8
91.05475	5.0
92.49171	1.6
93.07056	16.6
95.04946	2.6
95.08618	54.4
97.06545	3.4
97.10182	15.4
98.21487	3.5
105.07040	4.5
107.08611	14.7
109.02893	2.1
109.06496	2.4
109.10172	40.8
111.04471	6.1
111.11740	10.2
113.09637	4.6
119.08609	4.0
121.10158	15.7
121.72626	1.8
123.11700	18.5
125.13286	2.6
127.11257	1.9
131.08575	1.8
133.10109	3.2
135.08052	2.3
135.11684	14.4
137.13264	10.0
145.10043	4.4
149.13246	11.8
151.07710	2.0
151.14848	5.1
153.05466	3.3
153.12695	2.8
155.14365	1.9
157.10103	1.8
161.09634	2.0
163.14795	5.5
165.16273	2.0
165.19621	1.9
167.14301	2.5
170.46730	1.9
171.11761	1.7
177.16432	4.3
179.17972	1.7
185.09688	2.1
191.10605	2.1
191.17871	2.4
195.11606	2.1
205.19516	2.8
209.11720	24.5
209.13455	3.0
213.09174	2.1
215.10683	3.1
219.17468	2.9
219.21121	2.5
237.11252	16.8
241.12170	2.5
255.13908	6.2
275.27396	13.3
285.86148	1.7
293.28400	14.9
311.08823	1.7
311.12778	6.5
311.16528	3.4
311.20041	21.4
311.23535	3.6
311.29529	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	311.2582
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03946	0.8
55.01639	0.6
55.01879	8.7
55.05516	36.4
57.03445	9.6
57.07080	15.0
60.36240	0.4
60.92184	0.4
67.05515	5.4
69.07073	37.7
70.67892	1.2
71.08636	8.9
73.02925	6.9
74.73054	0.4
75.21332	0.4
79.05499	3.5
81.07060	6.7
83.04984	0.9
83.08625	29.9
85.10194	3.3
86.55988	0.4
91.05493	0.7
93.07049	3.6
95.08620	4.9
97.06558	2.3
97.10179	19.4
107.08614	2.3
109.10172	2.3
111.08102	0.9
111.11722	5.2
121.10162	3.5
123.11721	1.0
125.09650	0.6
125.13239	0.5
129.05489	3.6
133.06554	0.5
135.11702	1.7
135.44652	0.4
139.11165	0.8
142.34131	0.4
149.13257	0.8
163.14934	0.4
217.89792	0.4
219.21252	0.6
233.14584	0.4
237.22101	1.0
247.19565	0.4
255.23148	1.1
311.25815	100.0
312.26102	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
50.95987	0.6
51.03709	0.5
53.00312	0.6
53.03941	1.5
55.01875	4.6
55.05516	49.2
57.03443	17.6
57.07079	23.1
58.12423	0.6
65.03903	0.7
67.05238	0.6
67.05516	6.9
67.50589	0.6
69.07073	55.1
69.63637	3.6
71.08292	0.9
71.08640	13.0
73.02901	3.7
79.05492	5.6
81.07053	10.2
83.04977	0.9
83.08624	44.4
85.10180	5.7
88.38812	0.6
88.92828	0.5
91.05477	1.4
93.07040	5.5
95.08624	5.4
97.06544	3.7
97.10177	29.4
98.21432	0.9
107.08589	3.1
109.10150	2.7
111.08095	1.8
111.11721	10.1
118.49779	0.7
121.10165	6.4
123.11740	1.8
125.09628	0.8
125.13248	1.5
129.05524	2.0
135.11688	3.9
137.13225	1.0
139.11205	1.5
149.13280	1.6
153.12775	1.0
163.14833	0.7
219.21097	1.4
237.11258	0.8
237.22156	0.8
311.25833	100.0
312.26135	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2371
Annotation	14'-apo-beta-Carotenal
Peak:m/z	Relative Intensity
53.03944	9.1
55.01871	5.1
55.05511	28.9
57.03444	5.0
57.07066	9.2
61.67205	2.7
65.03934	4.2
67.05508	48.6
68.77183	2.9
69.03421	3.4
69.07074	65.1
71.04986	5.2
71.15898	2.6
79.05496	33.3
79.64048	3.1
81.03416	5.4
81.07066	54.1
83.04942	3.1
83.08626	14.6
91.05490	51.7
93.07048	100.0
95.04980	67.1
95.08615	92.5
97.06531	29.9
97.10170	6.2
105.07043	87.1
107.08603	56.2
109.06523	16.0
109.10167	38.3
114.27844	2.7
115.05477	5.2
117.07033	21.1
119.08591	65.9
121.06501	21.5
121.09324	4.4
121.10159	53.3
123.08074	16.7
123.11712	16.9
128.06201	5.1
129.07007	9.5
130.07782	4.6
131.08560	28.4
133.09142	3.6
133.10146	44.1
135.08069	16.0
135.11734	16.5
137.09618	6.7
137.13277	4.9
142.07765	12.9
143.08600	18.0
144.09320	5.9
145.10107	43.6
147.08093	3.2
147.11700	26.1
149.09601	5.7
149.13237	6.2
155.08630	6.2
156.09326	3.8
157.10153	32.4
159.08078	5.6
159.11707	45.1
161.09589	8.1
161.13249	15.1
163.11237	4.7
163.14944	2.8
169.10147	11.5
171.11723	21.0
173.13277	14.4
175.14857	16.8
177.16368	15.5
180.86055	2.7
183.11688	10.3
185.13200	14.4
187.11192	5.7
187.14870	6.3
189.16426	12.5
195.11633	5.3
197.13257	11.4
199.14789	6.9
201.16312	9.5
203.17937	8.4
209.11647	4.4
209.13344	3.9
211.14888	8.2
213.16324	7.2
215.14348	3.6
215.17949	2.9
219.17467	3.8
223.14838	5.4
225.16388	3.2
227.17885	5.6
237.16394	5.1
255.20987	4.4
267.21091	3.4
283.24164	3.3
293.22668	9.5
311.23538	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	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.70084	5.6
53.03942	11.0
55.01878	11.9
55.05516	44.1
57.03428	13.0
57.92275	5.1
59.04996	10.7
59.97290	5.2
62.81284	4.7
63.64735	5.5
67.05511	75.2
69.03443	33.4
69.07075	34.0
70.24048	22.0
71.04972	8.2
79.05513	53.3
81.03412	5.4
81.06591	6.8
81.07056	100.0
83.04987	20.7
83.08614	23.2
85.06544	9.2
91.05489	59.0
93.07053	56.3
95.04970	29.3
95.08614	48.1
97.02901	5.8
97.06509	32.2
97.10175	13.7
99.08099	9.7
105.07052	42.7
107.04961	8.7
107.08598	36.3
107.09214	4.9
107.81675	4.9
109.06521	15.1
109.10157	27.7
111.04472	6.0
111.08088	12.8
113.05979	7.7
115.03938	7.5
117.07037	30.7
119.08569	47.8
121.06470	15.1
121.10151	20.7
123.08079	16.5
123.11710	10.3
124.45387	5.5
125.09647	13.2
128.06256	9.7
129.07002	17.9
131.08556	29.9
133.06529	6.6
133.10146	30.3
135.08054	11.5
135.11699	14.0
137.09639	7.9
139.11212	7.2
141.06975	16.6
143.08540	14.7
145.06459	12.3
145.10138	29.1
147.08022	9.4
147.11636	12.4
149.09567	13.6
153.07039	9.0
155.08533	14.2
157.10153	14.3
159.08040	9.0
159.11662	18.6
161.09697	12.5
169.10146	12.5
171.11673	6.0
173.09604	14.1
187.11147	8.2
189.09212	7.6
193.12190	6.1
194.87172	7.1
197.09624	8.3
198.56743	6.9
201.09161	10.5
207.55814	6.1
215.06996	11.4
215.10669	15.0
225.09138	15.0
239.18163	6.6
243.10178	21.5
257.19049	19.7
261.11188	15.2
275.20059	83.3
279.12436	9.8
293.13712	15.7
293.21085	19.3
311.12500	38.4
311.16138	9.1
311.19812	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	311.2216
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03960	3.0
53.57175	3.1
55.01865	12.0
55.05515	27.2
57.03425	14.8
57.07079	31.5
66.89762	4.8
67.05510	50.2
68.05843	3.3
69.03446	5.0
69.07074	28.2
69.37773	10.4
69.38194	18.8
71.04983	11.9
74.66644	3.2
75.92325	3.4
79.05495	34.3
79.66271	3.7
81.07059	50.4
81.10112	3.4
83.04997	18.8
83.08623	11.1
85.06552	5.9
91.05490	28.0
93.07045	30.6
95.04957	12.5
95.08614	38.4
97.06529	11.8
97.10184	10.3
105.07039	24.3
107.04975	5.9
107.08608	33.4
109.06525	8.1
109.10155	23.1
111.04443	21.2
111.08073	11.5
117.06999	11.1
119.08579	21.1
121.06477	7.0
121.10134	22.9
123.08025	5.3
125.05984	10.0
125.09591	11.8
129.07011	5.6
131.08565	16.2
133.06473	9.6
133.10129	18.3
135.08069	8.3
135.11674	8.6
136.67003	3.5
139.07466	4.2
139.11203	14.9
141.07030	3.7
145.10152	15.4
147.08105	4.5
147.11687	11.1
149.09590	12.5
149.13290	4.4
153.05501	8.8
157.10162	7.6
159.07994	7.1
159.11710	7.7
161.13269	5.2
163.11163	12.9
165.07158	3.3
169.10146	3.8
171.07948	4.3
171.11693	10.1
173.09578	5.2
173.13271	5.0
179.08528	5.1
181.04955	3.9
181.09999	3.9
181.12233	9.2
185.09579	8.1
185.13129	6.1
187.11217	4.8
191.10667	11.7
199.07590	4.8
199.11037	6.1
199.16803	4.0
203.12805	11.2
209.11717	100.0
209.13676	5.9
212.12010	5.2
213.09047	4.1
215.10757	6.3
221.15335	5.6
225.09174	5.5
225.12761	5.3
227.14391	5.6
229.12251	8.7
237.11168	79.1
241.12183	4.9
253.12302	5.8
255.14113	53.8
257.19128	6.7
269.15341	17.0
275.20090	49.1
293.21100	11.7
311.12726	7.0
311.16412	8.4
311.20078	92.5
311.23660	3.4
318.09201	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2008
Annotation	Cannabinol
Peak:m/z	Relative Intensity
51.11868	0.9
55.05513	7.2
56.14143	0.9
57.03426	4.7
57.07073	2.6
65.03942	1.3
67.05511	18.4
68.81860	1.3
69.03429	1.7
69.07071	7.9
71.04983	2.1
71.08633	1.2
71.51105	1.3
76.30897	1.0
79.05501	8.2
81.07056	8.3
83.04988	5.9
83.08613	2.0
91.05490	5.9
93.07054	6.8
95.04962	4.3
95.08595	4.9
97.06560	2.6
103.05498	1.1
105.07066	7.4
107.08568	4.0
109.06502	1.8
109.10164	12.9
111.04412	1.1
117.07040	2.5
119.04965	2.3
119.08588	6.6
121.06509	1.9
121.10130	4.2
123.08047	1.8
123.11720	0.9
124.85555	1.0
125.09631	2.4
128.06247	1.9
129.07014	3.0
131.08551	3.5
133.06503	20.4
133.07498	1.5
133.10135	3.8
135.08032	1.9
135.11664	1.1
141.07007	1.9
142.07855	2.6
143.08585	4.7
144.09317	1.2
144.32121	1.0
145.06534	2.6
145.10150	5.3
147.08037	4.0
147.11708	1.3
153.06981	1.5
155.08572	3.1
156.09296	1.2
157.10115	4.5
159.08089	4.7
159.11700	3.0
160.08870	1.1
161.05986	1.9
161.09616	3.0
165.06981	1.1
167.08591	2.1
169.06436	1.4
169.10127	4.5
170.10992	1.2
171.08025	3.8
171.11710	3.7
172.08813	3.1
173.09590	6.6
173.13306	1.3
175.07561	1.3
176.08377	1.2
179.08574	2.5
181.10175	3.4
183.08026	2.7
183.11623	5.7
185.09706	5.5
187.07436	2.1
187.11247	5.2
193.05086	1.4
193.10153	1.8
194.10852	1.8
195.08095	2.6
195.11743	3.2
196.08711	2.5
197.09637	7.6
197.13284	3.2
198.10429	4.4
199.07555	1.8
199.11200	11.3
200.08420	1.7
201.09068	2.9
201.12770	6.4
207.11687	2.3
209.09642	1.6
209.11525	2.1
209.13293	2.9
210.10451	1.7
211.07582	1.8
211.11238	6.0
212.11990	4.2
213.09074	3.3
213.12737	6.6
214.09953	1.2
215.10684	8.6
221.13289	1.5
223.11182	2.2
223.14767	3.8
224.11990	1.4
225.09132	3.7
225.12753	9.4
225.16240	1.4
226.09845	2.1
226.13373	2.6
227.10652	3.6
227.14319	14.6
229.12254	18.5
231.13586	1.4
237.12901	1.8
239.10675	2.4
239.14354	5.5
240.11427	3.0
241.12177	2.7
241.15948	8.4
243.13863	2.2
251.14331	3.1
251.17934	2.1
253.12189	2.6
253.15935	4.1
254.12981	1.4
254.16667	2.3
255.13837	29.1
255.17468	2.9
264.14920	1.2
267.13977	1.6
268.14661	1.6
269.15317	9.9
282.16248	3.9
283.20593	12.2
293.19037	4.8
311.12628	3.1
311.16730	4.5
311.20068	100.0
312.20532	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	311.2005
Annotation	Menaquinol
Peak:m/z	Relative Intensity
53.03946	2.5
53.29507	1.6
55.01866	4.6
55.05514	13.1
57.03435	2.2
57.07071	13.0
58.72558	1.8
65.03937	3.4
67.05502	19.0
69.03415	4.9
69.07075	13.3
71.04994	12.1
71.51260	3.5
72.57372	1.7
75.10029	1.7
79.05492	16.7
81.07058	22.3
83.04996	13.3
83.08603	8.0
85.06551	3.1
91.05475	17.2
93.07046	25.1
95.04959	4.3
95.08608	15.4
97.06517	5.9
97.10145	5.0
99.08091	4.7
103.05477	2.6
105.07029	22.0
107.04941	3.0
107.08597	34.5
109.06514	3.0
109.10168	31.4
109.35755	2.1
111.04459	11.2
115.05457	2.8
116.06260	2.0
116.59195	2.2
117.07010	8.2
119.04971	3.4
119.08582	29.9
121.06485	5.5
121.10145	23.6
123.08044	2.6
123.11745	4.0
125.06039	2.4
125.09635	35.1
127.11176	6.4
128.06189	3.1
129.06990	11.7
130.07803	2.8
131.08588	10.9
133.06485	12.1
133.10152	23.7
135.08015	3.5
135.11685	7.9
137.09656	2.5
141.06960	5.5
142.07747	7.4
143.08591	15.4
145.06496	2.4
145.10110	13.0
147.08075	16.8
147.11707	6.2
149.09656	6.4
152.06165	2.3
153.05493	7.8
153.06995	5.3
154.07782	5.0
155.08543	9.5
156.09319	4.4
157.06535	3.2
157.10130	17.2
159.08073	4.0
159.11728	13.6
161.06013	2.0
161.09578	4.1
161.13281	5.8
163.11217	9.2
165.07022	5.6
166.07848	3.1
167.08603	10.0
168.09375	10.2
169.10152	21.7
171.08067	10.0
171.11656	9.8
173.09628	5.5
173.13272	5.4
175.07533	5.8
175.11151	3.5
177.12782	2.7
178.07762	2.7
179.08566	7.8
180.09308	5.0
181.06464	3.5
181.10132	10.6
181.12199	4.3
182.10915	9.8
183.11703	10.7
184.08775	2.0
185.09679	11.9
185.11057	2.2
185.13275	4.5
186.10365	11.7
187.07599	2.1
187.11188	5.9
189.09007	2.4
191.10767	8.9
193.10135	3.0
194.10913	3.3
195.08031	5.1
195.11705	7.5
196.08841	13.3
197.09698	10.5
197.13274	46.1
197.82184	1.8
199.11194	12.1
199.14977	2.7
201.09108	5.4
203.14532	2.0
205.12219	3.6
207.11732	8.1
208.08809	3.4
208.12260	2.4
209.09694	3.3
209.11739	34.4
209.13329	6.6
210.10394	5.5
211.11192	6.9
211.14743	8.8
212.11790	2.0
213.09096	5.0
213.12726	7.6
213.16504	2.2
214.13530	2.2
215.10603	4.6
217.12306	3.2
221.13249	6.0
222.10414	3.9
223.11169	7.2
223.14777	11.7
225.12735	55.3
225.16170	3.1
227.10730	4.1
227.14293	7.5
229.12279	4.3
231.13866	2.3
235.11098	2.4
236.11951	2.7
237.10927	29.3
237.13158	5.6
237.16478	3.2
239.14276	12.2
241.12263	3.4
241.15961	5.8
249.16254	2.1
250.13463	2.3
250.17317	2.5
251.14294	12.4
251.17915	4.5
255.14212	11.0
255.21075	2.5
265.15616	2.0
265.19531	18.3
267.13806	2.1
267.21008	2.8
269.15311	5.1
275.20078	5.1
283.17328	2.8
283.20544	19.3
284.20679	1.8
293.18942	40.2
311.12741	5.8
311.20050	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2006
Annotation	Menaquinol
Peak:m/z	Relative Intensity
53.03940	2.1
54.05134	0.9
55.01868	1.1
55.05515	5.9
57.07061	2.8
60.67064	1.0
65.03925	2.6
67.05510	28.6
69.03411	2.6
69.06727	1.5
69.07071	19.4
69.90410	4.9
77.84500	0.8
79.05493	11.4
81.07063	13.9
83.04974	1.4
83.08618	2.2
85.06548	1.2
91.05491	15.1
93.07037	7.6
95.04956	1.3
95.08606	4.3
103.05471	4.0
105.07034	13.5
107.04927	2.2
107.08598	7.2
109.06516	2.1
109.10162	50.2
115.05463	1.3
117.07037	6.1
119.04957	27.4
119.08596	11.6
121.06553	1.5
121.10139	3.8
123.08076	4.0
123.11714	1.0
128.06230	1.6
129.07014	4.9
131.08589	3.2
133.06505	100.0
133.07584	6.6
133.10118	7.9
134.06802	1.0
135.08061	1.8
137.09593	1.0
141.06993	2.7
142.07750	2.6
143.08562	4.6
145.06450	1.6
145.10103	6.8
147.04446	1.0
147.08060	29.7
147.09210	1.7
147.11633	1.4
149.06003	1.2
149.09645	2.0
153.06967	1.1
154.07751	1.5
155.08557	5.8
157.06448	1.4
157.10129	5.3
158.07295	1.5
159.08057	3.5
159.11685	2.5
161.05983	3.8
161.09641	5.9
161.13260	1.7
163.11195	3.0
165.07007	2.8
166.07780	1.2
167.08496	2.1
168.09380	1.1
169.10146	3.1
170.07367	1.0
171.07985	4.4
171.11702	2.4
172.08765	1.8
173.06003	2.1
173.09605	4.1
173.13231	1.6
174.06740	0.9
175.07547	5.7
179.08574	2.7
180.09349	1.6
181.10147	3.5
182.07404	1.3
183.08017	2.5
183.11682	3.6
184.08868	1.7
185.06010	2.5
185.09581	6.2
185.13277	1.8
186.10434	1.2
187.07562	3.3
187.11200	3.7
189.09059	1.6
192.09465	1.0
193.10167	2.5
194.10909	1.8
195.11731	2.9
196.08893	1.5
197.09596	2.8
197.13387	1.4
198.10429	1.5
199.07549	3.1
199.11215	4.4
199.14873	1.6
200.08345	3.6
201.09114	14.5
201.12772	4.9
203.10640	1.2
207.11685	1.1
209.09631	2.7
209.11728	6.5
209.13359	2.1
211.07588	5.0
211.11192	3.4
211.14830	1.5
212.08218	2.1
213.09100	3.7
213.12691	8.7
214.09937	1.2
215.10732	6.2
215.14291	1.4
217.12286	3.4
222.10471	1.3
223.14917	2.7
224.12083	1.4
225.09181	7.0
225.12645	4.2
226.09879	3.2
227.10756	6.9
227.14276	8.4
227.51741	0.9
228.11349	0.9
229.12244	14.8
231.13943	1.1
236.11963	1.4
237.10912	1.6
237.12917	3.0
239.10666	3.4
239.14240	0.9
240.11484	1.8
241.12215	4.9
241.15892	2.1
243.13895	1.7
251.14359	3.9
251.18039	1.5
253.12161	1.6
253.15857	3.9
255.13881	15.1
256.14597	3.3
257.15189	1.2
265.19485	2.8
268.14438	1.2
269.15393	6.2
269.18863	1.5
282.16217	1.6
283.20566	12.9
293.19067	3.7
311.20074	33.0
311.25632	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2006
Annotation	Cannabinol
Peak:m/z	Relative Intensity
55.05510	4.7
57.07079	2.3
67.05509	19.0
69.03413	1.1
69.07072	12.6
71.05767	2.3
71.06113	1.3
79.05497	10.4
81.07067	11.0
83.08617	1.8
85.06567	1.0
91.05495	9.4
93.07075	6.8
95.04961	2.1
95.08638	4.7
97.06564	1.1
97.10178	1.0
103.05477	4.5
105.07040	15.3
107.08599	6.7
109.06531	1.8
109.10161	29.1
117.07027	5.3
119.04948	16.5
119.08578	9.9
121.06526	1.7
121.10152	3.2
123.08077	4.4
128.06271	1.5
129.07005	4.4
131.08556	4.7
133.06508	100.0
133.10104	7.0
135.04512	1.3
135.08064	2.0
135.11711	1.1
137.09604	1.7
138.28131	0.9
141.06996	1.7
142.07797	2.0
143.08585	3.6
145.10162	6.0
147.04340	1.0
147.08076	16.4
147.09154	1.6
147.11661	1.4
149.09618	1.9
152.15846	0.9
155.08572	2.3
155.99551	1.0
157.06490	1.5
157.10126	4.1
158.07240	1.4
159.08055	2.9
159.11732	3.6
161.05983	1.2
161.09654	4.1
161.13234	2.7
163.11186	1.8
163.23085	0.9
165.07002	1.4
167.08600	1.6
168.09381	1.9
169.10205	1.8
171.08076	3.1
171.11673	2.5
172.08835	1.5
173.06073	1.6
173.09642	4.0
173.13284	2.6
175.07568	4.3
179.08574	2.3
180.09399	1.4
181.10159	3.0
183.08134	1.8
183.11708	2.5
185.09665	4.8
185.13284	2.6
185.81740	1.0
187.07579	3.3
187.11174	1.9
191.10634	1.2
193.10101	1.7
195.08144	1.7
195.11722	2.8
197.09697	1.9
197.13254	1.8
199.07607	2.4
199.11212	4.1
200.08377	2.3
201.09087	9.7
201.12758	3.4
203.10689	2.1
207.11615	1.6
209.09726	2.0
209.11716	3.4
209.13347	2.7
211.07568	2.8
211.11168	3.1
211.14828	2.4
212.08337	2.3
213.09111	2.7
213.12776	6.6
215.10713	3.1
215.14381	1.3
217.12239	2.0
220.12320	1.0
221.13080	1.0
222.10434	1.3
223.14854	3.2
225.09117	4.0
225.12790	1.7
225.16574	2.0
226.09702	1.6
227.10698	2.7
227.14279	5.1
229.12257	9.8
235.14772	1.4
236.11887	1.4
237.11203	3.0
239.10794	1.6
241.12294	1.8
241.16049	1.1
243.13948	1.2
250.13589	2.4
251.14346	4.8
253.15814	5.8
255.13846	7.7
265.19608	1.4
267.13950	1.3
267.17310	1.6
268.00089	1.1
269.15430	4.2
269.19193	1.4
282.16028	1.2
283.20505	9.0
290.98145	1.0
293.18970	2.7
293.22778	2.0
311.16431	2.0
311.20056	21.6
311.23724	6.5
327.59183	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.6
55.01875	4.9
55.05309	1.5
55.05519	15.1
56.50979	1.5
57.03432	4.8
58.99589	3.7
59.05003	1.6
67.05511	11.8
69.03428	5.0
69.07073	4.6
69.64522	1.8
70.67278	2.0
70.67605	3.2
71.04990	11.5
76.02226	3.3
79.05490	18.5
81.03423	2.0
81.07066	18.4
83.04994	18.6
85.06557	12.1
86.99079	1.6
88.03974	3.7
91.05495	25.1
93.07052	29.3
93.35750	1.6
95.04979	7.3
95.08617	11.6
97.06560	14.1
99.04470	4.7
101.06028	12.1
103.03963	3.1
103.05474	4.1
105.00145	2.1
105.07041	44.1
107.04975	4.0
107.08607	32.1
109.06522	4.7
109.10152	4.0
111.08102	4.6
115.05428	2.8
117.07033	15.8
119.08595	18.6
121.06511	11.0
121.10155	6.4
122.02748	3.6
122.03609	2.4
123.08100	7.8
125.09621	2.7
128.06270	2.6
129.05525	2.6
129.07021	6.5
131.08582	44.7
133.02878	1.9
133.06519	3.3
133.10136	11.7
135.08067	11.4
137.05994	24.5
137.09615	3.3
139.07516	2.8
141.07002	3.4
142.07823	4.7
143.08569	7.9
144.09380	3.9
145.06499	4.0
145.10133	26.0
147.11696	13.7
149.06013	2.6
149.09605	3.9
151.07533	2.1
155.08571	5.9
157.10188	9.2
158.10875	4.5
158.63924	1.5
159.08101	7.4
159.11707	34.6
161.06015	4.2
161.09647	3.3
163.07549	2.8
168.09334	3.0
171.11684	2.7
173.09648	6.2
173.13287	53.0
175.11226	4.6
177.09105	2.4
177.12769	21.4
179.10623	1.9
183.11728	8.6
187.07596	6.9
189.09119	3.1
189.12799	3.7
190.07825	3.2
191.08629	6.8
191.10681	2.2
191.14326	48.1
199.64427	1.6
201.12756	36.6
201.14496	2.8
207.10208	3.1
207.13707	2.0
208.08800	2.1
218.07333	2.0
219.07974	10.9
219.13824	63.2
220.08904	1.6
220.75330	1.8
221.06227	2.3
225.09117	2.0
225.11220	1.8
235.07626	3.6
236.08371	2.9
237.14870	4.0
247.07617	5.8
251.10699	15.9
265.08878	2.3
275.07208	1.9
279.10162	12.0
281.08151	3.3
293.17502	100.0
296.10477	2.5
311.09375	5.5
311.12729	24.6
311.18500	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	311.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51144	1.4
55.01867	2.8
55.05511	8.7
57.03432	4.8
65.23261	1.4
67.05512	10.5
69.03435	4.3
69.07047	4.9
70.68349	1.9
70.68680	2.7
71.04984	7.5
79.05501	15.9
79.60995	1.4
80.15148	1.5
81.03416	2.3
81.07059	14.2
83.04998	10.8
85.02895	1.7
85.06554	12.4
91.05483	23.4
93.07058	27.7
94.50885	1.2
95.04966	5.0
95.08616	12.6
97.06544	13.5
99.04462	2.7
101.06029	7.8
103.03941	2.5
103.05489	2.0
105.07038	42.1
107.04954	2.0
107.08601	27.2
109.06509	4.4
109.10146	3.1
111.08077	4.0
115.05463	2.4
117.07024	15.3
119.05011	2.1
119.08586	19.1
120.79144	1.5
121.06491	6.4
121.10129	5.6
122.02763	2.1
122.03664	2.6
123.04402	1.7
123.08067	6.9
124.70080	1.4
127.07542	2.7
128.06184	1.6
128.29166	1.3
129.05502	2.7
129.06993	5.5
130.07854	1.4
131.08580	48.3
133.02841	2.0
133.06505	3.7
133.10126	14.3
135.08084	8.6
137.05978	15.4
137.09610	1.9
139.07538	4.0
141.06982	2.7
142.07748	3.3
143.08559	5.5
144.09346	3.8
145.06464	2.5
145.10133	23.5
147.11681	13.7
149.05956	2.4
149.09633	2.6
151.07544	2.0
153.07007	1.5
155.04860	1.9
155.08569	7.1
157.10141	6.6
158.10989	2.5
159.08046	6.4
159.11708	34.5
161.06032	3.4
161.09602	2.3
161.13246	2.0
163.11197	2.2
168.09387	2.3
173.09641	4.6
173.13275	51.7
175.07542	2.1
175.11159	4.7
177.12762	21.1
179.10693	1.8
183.11713	7.2
187.07574	5.2
189.12756	2.7
190.07805	5.3
191.08644	7.4
191.14322	55.3
201.12762	36.7
201.14316	1.0
218.07286	2.8
219.08104	10.8
219.13823	54.3
225.09258	1.6
236.08226	2.4
237.14853	4.7
247.07535	4.5
251.10674	10.9
264.07864	1.8
265.08615	1.8
279.10114	11.3
293.17490	100.0
296.10498	1.8
311.09436	2.5
311.12787	20.8
311.18506	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	311.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20509	0.4
50.52182	0.5
52.68687	0.5
55.05506	0.9
67.05512	1.2
68.99718	0.6
69.03445	0.6
69.07077	0.7
69.50809	0.5
70.24348	1.2
70.24740	1.0
79.05506	1.1
81.03403	0.6
81.07066	1.9
91.05497	1.3
93.07043	1.7
94.04292	0.5
95.04995	0.6
95.08620	1.4
95.56592	0.5
97.06592	0.7
98.21497	0.6
98.22756	0.5
103.05466	0.6
105.07043	1.4
107.05020	0.6
107.08601	0.9
109.06541	1.0
109.10193	0.6
118.06562	0.9
120.08094	0.5
131.08652	0.7
133.06499	0.6
133.10181	1.0
137.06004	7.5
137.09561	0.5
159.08064	0.8
161.06001	1.4
161.09641	0.7
165.09123	0.5
187.07558	2.5
190.07889	1.5
191.08586	3.4
205.12355	0.7
208.08891	0.5
209.10150	0.6
218.07381	0.9
219.08167	3.8
221.06082	0.7
235.07611	0.8
237.09238	0.6
247.07677	2.2
249.14595	3.8
251.10451	4.5
251.13081	1.0
253.08626	0.7
264.07971	1.4
271.85416	0.6
279.10129	5.2
281.08200	0.9
293.13803	2.1
296.10449	0.9
311.14777	100.0
312.15067	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.128
Annotation	Porphyrin
Peak:m/z	Relative Intensity
53.03949	1.6
54.91344	1.3
55.01866	3.5
65.17672	1.1
66.66031	1.0
67.05514	1.2
71.49876	1.3
75.40050	0.9
79.05505	3.1
81.03432	1.2
81.07040	2.5
84.69658	0.9
85.02902	1.4
91.05473	6.8
93.07077	1.8
93.88210	1.0
94.04179	4.8
95.04963	2.0
95.08606	2.2
103.05468	3.1
105.03411	1.4
105.07047	15.8
105.07716	2.0
109.06529	6.4
115.05477	5.9
119.08578	2.2
121.06514	2.3
122.03648	13.3
128.06212	1.7
129.07025	4.2
131.04932	3.6
131.08633	1.7
133.02869	18.1
133.06509	9.4
137.05991	100.0
143.06012	1.6
144.05737	4.0
145.06499	2.9
147.08054	2.7
149.05984	6.7
151.07509	2.0
155.04941	7.8
155.06001	1.7
156.05782	1.8
159.08087	8.7
161.06000	24.0
162.05534	1.2
165.05493	3.0
165.07008	4.5
166.07767	1.1
167.06924	1.2
169.06503	1.5
172.05211	3.1
175.07558	3.7
179.08557	1.6
180.09303	1.2
187.07567	31.6
189.07002	6.4
189.08650	1.1
190.07788	22.4
191.08574	47.4
192.09039	1.1
201.07176	1.1
201.92377	1.0
202.07698	2.4
203.08598	1.9
205.06554	2.7
205.10178	1.4
207.08095	6.7
208.08835	5.9
209.05856	1.6
218.07295	12.4
219.08064	64.5
220.08733	6.4
221.05998	3.1
221.09615	1.2
225.09087	1.7
229.07660	1.7
231.07988	1.2
233.09665	2.7
235.07565	7.4
236.08325	13.1
237.09157	2.8
246.06877	2.6
247.07579	28.0
248.08319	3.9
249.05553	1.4
250.09912	1.2
251.10696	85.2
253.08664	6.2
256.96570	1.1
261.09085	3.8
263.07159	2.1
264.07794	8.4
265.08575	2.9
267.09943	1.1
268.07449	1.3
268.10986	2.2
278.09308	2.0
279.10184	65.3
280.10751	6.2
281.08130	9.6
283.09741	1.4
293.11606	1.8
296.10455	10.2
311.12805	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.128
Annotation	Porphine
Peak:m/z	Relative Intensity
53.03939	1.1
55.01878	1.5
55.05508	1.2
65.03920	0.7
67.05495	2.0
69.03448	1.5
70.06607	0.7
71.04984	0.9
71.49963	1.0
71.50329	0.8
79.05501	4.8
81.03422	0.9
81.07064	4.1
85.02927	1.0
89.03930	1.4
91.05494	7.5
93.07063	5.1
94.04187	5.3
95.04990	1.1
95.08611	1.8
97.02912	1.7
97.06558	1.0
99.04488	0.7
103.05463	2.2
105.07047	10.2
107.04967	2.3
107.08589	1.8
109.06532	5.1
109.10186	0.6
115.05470	2.8
116.06245	1.6
117.07043	1.0
119.04971	1.0
119.08599	1.2
121.06514	2.8
121.10155	6.7
122.03650	9.6
123.04425	0.9
127.05477	1.1
128.06242	3.3
129.07011	5.2
130.38115	0.6
131.04942	1.8
131.08592	3.0
133.02864	1.2
133.06497	5.1
133.10130	1.7
134.03630	0.7
135.04463	0.9
137.05991	100.0
138.06317	0.8
141.06993	1.4
143.05063	0.8
144.05721	2.5
145.06494	2.0
145.10112	1.1
147.08081	0.9
149.06000	5.4
149.09622	1.2
151.07524	2.4
155.04921	8.1
155.06046	1.3
156.05771	1.3
159.08073	8.0
159.11658	0.8
161.05992	10.8
161.09590	1.2
162.05537	0.9
163.03940	0.7
163.07629	1.8
165.06975	4.2
167.07082	0.8
167.10652	1.5
171.04410	1.3
172.05183	3.3
173.13222	0.7
175.07594	3.6
177.09203	0.7
177.12817	0.9
179.08617	2.5
179.10695	0.6
180.09401	1.4
181.06665	0.7
187.03989	1.2
187.07565	26.9
189.07048	6.7
189.08861	1.3
190.07790	26.4
191.08574	54.1
191.14311	0.9
192.09006	0.7
194.07347	0.8
201.07036	1.6
201.12746	1.0
202.07797	1.6
203.08629	1.8
205.06493	3.1
207.08060	6.4
208.08844	8.2
209.09564	0.8
217.06572	1.0
218.07295	14.8
218.09306	1.2
219.08067	69.9
220.08780	7.5
221.06044	3.3
222.06793	0.7
223.11243	1.4
225.09108	1.7
229.07684	2.5
233.09673	2.7
235.07556	9.4
236.08328	14.6
237.09067	3.0
238.06259	1.1
240.11612	0.7
246.06747	1.8
247.07573	29.0
248.08311	4.0
249.05530	1.4
249.09361	1.1
250.09880	1.4
251.10699	86.5
252.07991	0.7
252.11060	1.4
253.08611	8.9
261.09134	3.6
263.07092	2.5
264.07849	9.8
265.08575	4.5
266.05673	0.9
267.10236	2.4
268.10953	1.8
277.08560	1.3
278.09442	1.5
279.10193	73.0
280.10880	5.2
281.08115	12.7
281.10986	1.2
283.09714	1.6
283.13120	1.8
293.11746	0.7
295.09735	2.0
296.10452	14.0
311.12787	76.3
312.13113	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1279
Annotation	Porphine
Peak:m/z	Relative Intensity
51.09998	0.8
54.56630	0.9
55.01873	2.2
55.13729	1.0
63.11905	1.0
67.05505	1.1
69.03411	1.0
71.40453	1.4
71.40804	1.1
76.50006	0.9
78.91933	0.8
79.05486	4.3
81.07030	2.0
85.02899	1.2
91.05499	6.3
93.07029	1.5
94.04210	4.7
103.05476	4.1
104.56600	0.9
105.03393	1.3
105.07035	13.8
107.04962	2.4
107.08600	1.1
109.06523	5.8
115.05474	4.0
116.06249	1.5
117.06978	1.1
118.04124	1.0
119.04945	1.1
121.06525	2.4
122.03666	11.0
127.03887	0.9
127.05438	1.2
128.06252	2.7
129.07062	5.2
131.04947	2.3
131.08589	1.8
132.05728	1.2
133.02878	10.0
133.06500	8.7
137.05988	100.0
144.05704	4.0
145.06499	2.3
146.03641	1.9
147.08057	1.8
149.06023	6.4
151.03842	1.2
151.07561	1.4
155.04909	8.6
156.05692	1.3
159.08066	10.2
161.05995	17.7
162.05556	3.8
163.07631	1.4
165.05560	2.3
165.07030	5.0
167.07066	1.3
172.05202	3.2
175.07562	3.6
178.07816	1.4
179.08612	1.8
180.09293	1.2
183.88493	1.0
187.07562	30.7
187.09203	2.1
187.11079	1.2
188.08047	1.1
189.07054	6.7
189.09140	1.9
190.05121	1.1
190.07780	25.7
191.08566	53.0
201.07016	1.3
202.07831	2.6
203.08650	2.9
205.06525	2.8
207.08093	6.6
208.06030	1.8
208.08818	5.9
218.07315	15.1
219.08069	61.3
220.08856	7.6
221.06096	2.6
223.11131	2.1
225.09209	1.7
233.09679	2.8
235.07564	8.8
236.08347	15.5
237.09071	3.3
240.07904	1.0
246.06822	2.8
247.07544	29.3
248.08345	3.4
249.05611	0.9
249.09058	1.7
251.10690	85.8
252.10988	1.0
253.08633	7.0
254.09052	1.2
261.09134	5.3
263.07074	2.3
264.07843	8.6
265.08600	4.1
266.05762	1.4
267.09888	1.2
268.10999	1.7
279.10196	69.5
280.10867	4.2
281.08148	11.4
283.09509	1.2
283.13388	1.4
295.09616	1.5
296.10425	12.0
311.12796	72.6
312.12949	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1278
Annotation	Porphyrin
Peak:m/z	Relative Intensity
55.01870	1.2
55.21846	1.1
56.32098	0.9
59.50716	1.0
69.03415	1.1
69.70164	3.1
69.70567	3.1
70.06563	1.1
73.09363	0.9
79.05498	3.4
81.07038	2.9
82.57394	1.0
91.05474	5.8
93.07004	1.2
94.04169	4.5
95.04973	1.0
103.05453	2.8
105.03386	1.9
105.07049	11.0
107.04937	2.3
109.06552	5.2
115.05456	2.3
119.08587	1.4
121.06494	2.1
122.03669	12.3
123.12886	1.0
129.07021	3.3
131.04930	2.0
133.02841	7.0
133.06528	7.6
133.10156	2.2
137.05988	100.0
138.06238	1.6
144.05704	4.0
145.06578	1.6
149.05966	5.2
151.07436	1.1
155.04955	6.3
159.08064	7.4
161.05983	16.5
163.03931	1.0
165.05595	1.3
165.06953	2.4
167.07054	1.8
172.05205	2.4
175.07578	3.6
180.09344	1.3
187.07565	32.3
188.08218	1.4
189.06981	5.5
190.07780	16.3
191.08568	38.0
195.08147	1.3
201.07039	2.1
202.07832	2.1
205.06389	2.3
207.08070	4.7
208.08876	3.3
218.07275	11.9
219.08066	52.0
220.08763	6.1
221.06032	3.1
225.09079	1.9
229.07724	1.2
233.09747	1.2
235.07500	5.0
236.08333	9.8
237.09094	2.4
240.07845	1.6
246.06779	1.6
247.07547	21.8
248.08253	3.0
249.09126	1.5
251.10695	70.4
252.10962	1.4
253.08727	6.8
261.09073	3.9
263.07016	1.7
264.07828	8.0
265.08545	3.0
268.07373	1.7
268.10910	1.6
274.72739	1.0
278.09381	1.5
279.10184	56.9
280.10809	5.0
281.08170	7.0
283.09680	2.7
296.10428	12.2
311.12772	65.5
312.13031	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01877	1.8
55.05505	2.1
67.05489	3.1
69.03390	0.9
69.07062	2.2
71.49416	1.6
79.05501	5.3
81.03407	0.9
81.07077	5.6
83.04987	1.3
91.05491	8.7
93.07034	5.3
94.04210	4.9
95.04957	3.8
95.08599	2.7
97.02892	2.3
97.06543	2.4
103.05462	2.9
105.07045	9.1
107.04970	3.1
107.08577	3.9
109.06514	5.7
109.10181	1.7
115.05447	2.5
117.07042	1.1
119.08576	3.0
121.06528	3.1
121.10188	2.2
122.03654	11.7
123.04398	1.3
128.06226	3.0
129.07011	3.3
131.04959	3.3
131.08554	2.8
132.05704	1.4
133.02867	1.9
133.06519	5.1
133.10150	2.6
135.04456	1.1
137.05989	100.0
141.06944	1.1
143.08563	1.3
144.05699	3.9
145.06458	1.7
145.10141	1.5
147.11653	1.3
149.05997	5.2
151.07539	1.9
155.04918	6.3
156.05673	1.1
159.04446	1.2
159.08035	6.8
159.11707	1.7
161.05969	11.1
161.09602	1.4
165.07037	3.5
165.09050	1.2
167.08459	1.2
172.05214	3.7
173.13251	1.9
175.07576	3.2
178.07755	1.3
179.08588	1.6
179.10677	1.8
180.09250	1.1
181.06493	2.2
184.26874	1.1
187.07559	29.6
188.08194	1.2
188.13924	1.1
189.07021	8.2
189.09033	2.5
190.07782	20.7
191.08574	42.1
191.14186	1.1
191.23969	1.0
192.09056	1.8
193.06606	1.2
195.08098	1.3
201.07039	2.3
202.07729	1.7
205.06541	3.5
207.08057	4.7
208.08897	6.4
218.07278	13.9
219.08075	54.9
220.08754	5.4
221.06032	3.9
221.09656	1.1
223.07660	1.0
223.11201	1.3
225.09052	2.5
229.07742	2.5
233.09641	2.6
235.07509	6.7
236.08339	13.9
245.01497	1.2
246.06703	1.7
247.07547	24.4
248.08316	3.9
249.05600	1.6
249.09109	1.3
250.09833	1.5
251.10690	70.8
252.07979	1.2
252.10992	1.7
253.08604	8.0
261.09061	4.4
263.06891	2.0
264.07858	8.8
265.08618	3.8
268.07294	2.9
268.10944	2.7
270.08722	1.4
279.10181	64.0
280.10815	6.2
281.08115	10.6
283.09595	3.2
283.13092	2.1
295.09741	1.7
296.10471	11.3
311.09738	2.8
311.12781	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	309.2789
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03939	2.7
55.01860	3.6
55.05511	37.5
57.03443	2.7
57.07077	25.3
59.05001	4.3
67.05506	34.3
69.03433	7.4
69.07071	98.4
70.79688	4.7
71.05008	8.0
71.08626	7.6
73.06544	3.4
77.84026	1.6
78.97724	1.9
79.05494	14.7
81.07059	100.0
83.08150	3.1
83.08622	42.0
85.06548	14.4
85.10192	2.5
89.06012	2.1
91.05480	7.4
93.07047	34.7
95.04967	3.3
95.08609	79.0
97.06535	10.7
97.10184	14.2
99.08085	9.5
105.07023	15.6
107.04932	2.3
107.08591	33.6
109.06541	3.7
109.10159	48.9
111.07369	3.4
111.08087	41.0
111.11687	8.0
119.08582	10.3
121.06559	1.9
121.10141	20.2
123.08110	3.4
123.11716	44.5
124.12299	1.6
125.09638	6.0
125.13303	4.5
133.10124	8.8
135.11699	19.1
137.09622	2.6
137.13242	13.7
139.11188	5.5
143.14351	3.2
147.11694	10.9
149.13278	19.0
151.11160	2.5
151.14896	3.0
153.12753	9.2
161.13283	3.7
163.14851	7.4
165.12766	10.6
165.16342	3.0
167.14320	2.7
175.14835	4.3
177.16400	6.3
179.14262	2.7
179.17992	2.9
182.15321	2.0
189.16400	2.2
191.17989	2.9
203.17949	3.2
205.19516	2.1
208.02347	1.8
209.18996	3.0
217.19467	4.6
234.06642	2.6
235.20538	1.9
237.09113	2.0
273.25790	7.8
277.08591	5.3
281.11621	2.4
291.26849	21.9
309.11212	7.4
309.27844	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.5
55.01869	3.6
55.05520	23.2
55.05766	3.0
56.96560	2.3
57.03429	2.4
57.07084	10.8
59.04996	7.7
59.63968	1.8
65.03938	3.0
67.05509	31.7
69.03439	13.8
69.07075	62.8
71.04989	6.2
71.08637	4.0
71.50524	2.2
71.50923	2.2
73.06541	2.7
79.05493	27.3
81.03429	2.2
81.07063	100.0
83.04990	5.9
83.08627	20.4
85.02890	5.0
85.06553	18.6
91.05483	22.9
93.07052	39.6
95.04966	10.1
95.08615	57.0
97.02923	3.8
97.06539	13.1
97.10168	7.6
99.04456	4.3
99.08102	5.0
103.05505	3.6
105.07037	22.0
107.05003	4.1
107.08610	29.3
109.06504	4.4
109.10166	49.7
109.13562	2.0
111.04456	2.8
111.08086	16.7
111.11702	8.9
113.05994	2.2
115.05466	7.5
117.07025	15.4
119.04922	3.1
119.08615	16.2
121.06504	7.6
121.10153	20.0
123.04388	2.7
123.08070	4.9
123.11722	44.3
125.09655	4.8
125.13297	4.6
128.06244	14.2
129.07060	8.6
131.04990	2.1
131.08594	7.2
133.06496	3.0
133.10139	9.8
135.04401	4.4
135.08072	7.2
135.11719	17.9
137.05988	2.0
137.13281	16.5
139.11209	11.6
141.07002	6.1
142.07802	8.8
143.08568	11.1
145.06497	5.6
145.10143	6.9
147.08047	3.1
147.11708	10.1
149.06000	2.9
149.09619	3.7
149.13272	12.6
151.07552	4.6
151.14890	2.6
152.06227	3.5
153.07031	6.2
153.12779	17.5
154.07805	5.2
155.08493	3.1
155.14340	3.3
157.06424	2.8
157.10173	3.2
159.08093	5.3
161.05943	4.6
161.09555	4.6
161.13284	3.1
163.07550	10.3
163.11101	2.1
163.14885	6.6
165.06946	2.2
165.12776	6.2
167.08595	7.9
169.06514	2.5
169.10123	5.8
171.08032	18.3
173.09589	2.3
173.39612	1.9
175.07603	3.9
177.09099	3.0
177.16447	3.0
179.18021	2.2
181.08588	2.3
183.13788	3.8
185.09557	13.0
187.07544	4.6
189.09047	4.9
191.17943	2.3
195.08098	7.8
195.10173	8.2
199.07550	6.4
205.19621	3.1
207.11783	2.3
213.09151	13.6
217.08665	6.1
217.19514	2.2
231.10254	6.7
235.11261	2.0
241.08646	7.4
245.11858	2.3
259.09677	5.0
263.10785	2.9
265.12125	3.1
267.08966	2.8
273.11520	2.0
273.18570	3.4
273.25781	5.8
281.11517	2.6
291.12314	5.0
291.19724	1.8
291.26776	10.1
309.11337	8.2
309.14697	1.9
309.18362	4.5
309.27985	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	309.2788
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
52.89454	1.5
53.03943	4.0
55.01861	5.5
55.05269	2.2
55.05515	29.4
57.03428	2.7
57.07079	19.5
58.28185	1.6
59.04990	6.2
65.03960	2.4
67.05180	2.6
67.05506	35.6
69.03413	5.6
69.07071	87.8
69.36848	11.8
71.05009	7.8
71.08630	8.1
73.06556	3.2
79.05499	12.4
81.07059	100.0
83.04994	2.9
83.08621	39.5
85.06548	11.3
85.10172	2.6
91.05470	6.6
93.06483	3.1
93.07043	32.6
95.04951	3.1
95.08611	79.5
97.06536	10.6
97.10179	13.1
98.20744	2.2
99.08067	6.3
103.36329	1.5
105.07050	14.1
107.05023	1.5
107.08599	31.1
109.06503	5.2
109.10159	36.1
111.07380	2.4
111.08092	33.9
111.11711	5.3
119.08578	10.1
121.10142	19.1
123.08060	1.6
123.11709	38.0
125.09634	3.8
125.13232	3.1
129.06958	1.6
133.10106	7.1
135.07907	1.7
135.11681	16.5
137.09590	2.3
137.13234	10.2
139.11182	4.4
143.14253	3.0
147.11658	8.2
149.13278	13.8
151.11215	2.8
151.14827	3.7
153.12761	6.9
161.13271	4.6
163.14835	5.5
165.12744	10.9
171.13885	1.7
175.14842	2.7
177.02759	1.8
177.16415	5.1
179.14337	2.3
187.29666	1.7
191.17940	2.3
193.15904	2.3
203.18016	3.4
205.06419	1.9
205.19539	2.7
209.19048	2.1
217.19551	3.9
218.07365	2.3
221.09610	1.8
234.06781	1.9
235.07632	1.9
273.25711	8.1
277.08609	5.7
279.27032	1.8
281.11661	2.0
291.26831	18.5
309.11038	9.2
309.27884	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01860	3.6
55.05511	37.5
57.03443	2.7
57.07077	25.3
59.05001	4.3
67.05506	34.3
69.03433	7.4
69.07071	98.4
70.79688	4.7
71.05008	8.0
71.08626	7.6
73.06544	3.4
77.84026	1.6
78.97724	1.9
79.05494	14.7
81.07059	100.0
83.08150	3.1
83.08622	42.0
85.06548	14.4
85.10192	2.5
89.06012	2.1
91.05480	7.4
93.07047	34.7
95.04967	3.3
95.08609	79.0
97.06535	10.7
97.10184	14.2
99.08085	9.5
105.07023	15.6
107.04932	2.3
107.08591	33.6
109.06541	3.7
109.10159	48.9
111.07369	3.4
111.08087	41.0
111.11687	8.0
119.08582	10.3
121.06559	1.9
121.10141	20.2
123.08110	3.4
123.11716	44.5
124.12299	1.6
125.09638	6.0
125.13303	4.5
133.10124	8.8
135.11699	19.1
137.09622	2.6
137.13242	13.7
139.11188	5.5
143.14351	3.2
147.11694	10.9
149.13278	19.0
151.11160	2.5
151.14896	3.0
153.12753	9.2
161.13283	3.7
163.14851	7.4
165.12766	10.6
165.16342	3.0
167.14320	2.7
175.14835	4.3
177.16400	6.3
179.14262	2.7
179.17992	2.9
182.15321	2.0
189.16400	2.2
191.17989	2.9
203.17949	3.2
205.19516	2.1
208.02347	1.8
209.18996	3.0
217.19467	4.6
234.06642	2.6
235.20538	1.9
237.09113	2.0
273.25790	7.8
277.08591	5.3
281.11621	2.4
291.26849	21.9
309.11212	7.4
309.27844	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	48.5
57.03429	19.4
57.07079	13.5
66.16807	6.1
66.71592	6.6
67.05508	100.0
69.03365	8.1
69.07059	28.5
70.52245	6.0
71.00289	17.0
71.08640	48.4
79.05502	66.6
81.03404	6.7
81.07066	96.3
83.04995	17.2
83.08617	32.0
85.06558	8.3
91.05502	47.8
93.07051	89.4
95.04966	22.1
95.08636	60.4
97.06537	14.2
97.10185	25.4
99.08104	33.1
103.02783	6.6
105.07042	36.6
107.04942	9.2
107.08621	55.9
109.10162	53.8
111.08063	10.9
117.07011	12.2
118.57775	6.8
119.08557	31.4
121.10180	36.5
125.09644	25.5
131.08548	9.8
133.10141	22.7
135.08032	7.1
135.11734	37.1
137.09624	9.6
143.08548	13.5
145.10109	11.9
147.11682	12.2
149.09644	10.9
149.13293	11.4
151.11188	25.7
159.11679	9.8
163.11153	9.7
167.10960	7.7
171.11674	8.2
179.14319	73.1
185.13409	8.2
203.12892	7.5
224.35223	5.8
259.20578	8.0
277.21655	55.1
309.18005	8.6
309.21558	7.0
309.32535	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	309.2424
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03931	5.7
55.01864	2.9
55.05268	2.9
55.05511	26.3
57.03422	10.2
57.07070	5.3
59.88409	2.6
67.05508	60.3
69.07077	26.1
69.86551	15.8
71.04979	5.7
71.08636	51.7
79.05497	45.3
81.03403	7.8
81.06591	4.8
81.07057	60.2
83.05003	16.8
83.08613	12.9
85.06557	3.8
88.60839	2.8
91.05492	37.4
91.89171	2.7
93.06480	4.8
93.07050	70.7
95.04953	15.1
95.08609	43.4
97.06555	16.0
97.10157	6.6
99.07514	2.8
99.08101	46.1
105.07019	22.7
107.04964	9.0
107.08609	38.3
108.98558	2.5
109.06532	5.1
109.10165	17.5
111.08105	3.8
113.09634	3.5
113.82883	2.6
117.07002	5.9
119.08580	19.0
121.10162	36.6
123.08030	4.1
125.09641	6.6
131.08565	6.9
133.10155	16.1
135.08101	3.2
135.11699	37.8
137.09598	5.5
141.09135	4.8
145.10112	8.4
147.11644	8.1
149.13264	7.9
151.11165	18.4
157.10117	3.4
159.11667	5.9
161.13263	16.7
163.11171	8.1
165.12859	3.8
171.11659	4.2
175.14864	3.0
177.12685	3.7
179.14325	100.0
184.25203	3.1
185.13271	3.4
187.14845	4.0
189.12814	3.8
219.83017	2.8
221.15448	3.4
235.16951	5.5
241.19632	3.3
255.92670	2.6
259.20602	5.5
277.21643	50.5
309.24438	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	309.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.6
55.01860	3.7
55.05518	14.5
57.03410	5.3
57.07052	5.2
64.59750	1.4
65.03923	3.1
67.05506	28.3
68.20715	1.3
69.03411	1.8
69.07078	20.7
70.55036	2.7
70.55435	3.2
71.04968	3.4
77.03885	1.6
79.05502	34.4
81.03411	3.6
81.07053	36.6
83.04966	5.0
83.08602	5.8
83.15397	1.2
91.05489	43.0
93.07051	58.1
95.04395	2.2
95.04975	43.9
95.08609	37.6
96.95145	1.3
97.06538	17.2
97.10143	2.4
103.05448	4.2
105.04513	2.3
105.07034	77.4
106.01184	1.3
107.04961	3.1
107.08605	33.8
109.05871	1.7
109.06526	13.2
109.10150	18.3
111.08003	1.5
115.05412	5.5
116.06245	2.0
117.07027	17.7
119.08591	54.0
121.00473	1.4
121.06476	6.3
121.10149	100.0
123.08062	9.5
123.11671	5.6
125.09613	2.0
128.06259	7.9
129.07027	12.6
130.07756	5.3
131.07634	1.8
131.08569	32.7
133.06454	5.0
133.07530	3.3
133.09132	1.9
133.10135	36.9
134.41811	1.6
135.08011	4.5
135.11700	8.4
137.09583	2.1
140.86334	1.4
141.07007	6.7
142.07797	17.2
143.08565	25.9
144.09280	6.3
145.06471	4.1
145.10132	47.6
147.07993	4.9
147.11726	9.4
149.09566	2.1
149.13239	1.9
153.06981	1.6
154.07765	3.9
155.08534	9.9
156.09323	8.9
157.10141	32.0
158.10864	4.7
159.08049	2.3
159.11687	27.1
161.05873	2.3
161.09676	7.6
161.13217	6.3
163.11102	1.8
165.06931	3.2
167.08492	4.6
168.09291	3.1
169.10156	19.4
170.10841	4.7
171.11690	15.8
173.09612	4.0
173.13239	14.9
175.11145	4.1
175.14799	7.7
178.07712	2.6
179.08513	4.5
181.10184	6.7
182.10875	3.9
183.11699	14.0
184.12550	1.7
185.09607	2.1
185.13293	10.4
187.11156	8.1
187.14812	14.0
189.12662	3.0
192.09195	2.3
193.10068	5.8
194.10840	2.2
195.11670	8.3
196.12450	3.1
197.09549	2.7
197.13321	13.4
199.11143	2.2
199.14851	12.1
201.12704	2.6
201.16365	2.6
205.10127	2.0
206.10951	2.4
207.11647	4.6
209.13235	9.2
210.13849	1.6
211.14841	8.7
213.12830	2.1
213.16338	4.4
215.08539	2.7
215.14342	2.7
220.12448	3.7
221.13226	3.8
223.14738	5.7
225.08997	1.5
225.12698	2.7
225.16414	6.6
235.14891	6.7
237.16246	2.1
239.14198	3.0
239.18086	3.2
247.14719	1.6
249.16342	3.0
253.15697	2.9
253.19588	2.5
265.16095	1.3
265.19446	3.5
267.17566	2.0
273.12585	2.3
281.22592	3.4
291.21014	9.0
309.14557	4.6
309.18484	7.8
309.22012	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	309.2214
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03934	7.4
55.05514	16.8
55.05743	3.8
57.03409	4.4
57.07074	4.0
65.03940	2.7
67.05511	24.2
69.07069	17.8
69.25657	3.8
69.26051	21.8
77.03949	2.5
77.75922	2.6
79.05504	25.5
81.03397	4.2
81.07063	38.7
83.08594	3.5
91.05486	37.3
93.07051	54.9
95.04979	45.3
95.08619	38.8
97.06532	15.8
98.93090	2.1
103.05482	4.6
105.07037	77.2
107.07903	3.2
107.08600	35.0
109.06512	12.0
109.10155	20.1
115.05397	3.9
117.07001	10.9
119.07806	4.5
119.08588	56.2
121.06490	9.2
121.10153	83.8
123.08071	9.0
123.11700	5.3
128.06216	8.2
129.06996	8.3
130.07761	7.0
131.08592	33.0
133.06531	3.3
133.10141	33.0
135.08058	3.9
135.11690	11.7
141.07001	3.0
141.95296	2.5
142.07802	14.6
143.08578	31.2
144.09352	6.6
145.06503	2.8
145.10135	45.9
147.08047	5.1
147.11722	14.9
154.07747	3.1
155.08582	12.8
156.09372	11.8
157.10141	37.1
158.10921	6.3
159.08049	3.9
159.11708	32.1
161.09586	9.2
161.13211	5.1
165.07005	2.8
167.08583	3.9
168.09351	2.9
169.10120	18.8
170.10918	6.4
171.11690	20.0
173.09532	5.9
173.13274	19.2
175.14848	6.3
179.08624	3.4
181.10107	9.2
182.10936	3.9
183.11736	16.8
185.13332	11.6
187.11183	5.9
187.14856	15.4
189.51859	2.2
193.10049	4.9
194.10883	3.4
195.11719	11.7
196.12514	4.8
197.13264	17.2
199.14871	12.0
200.15729	2.7
201.12714	3.7
201.16356	3.8
205.10147	2.7
206.10915	4.2
207.11720	8.2
208.12601	2.4
209.13316	13.9
211.14847	12.4
213.12735	2.9
213.16373	5.0
220.12413	3.7
221.13274	6.7
223.14844	6.9
224.15390	3.7
225.12889	3.6
225.16373	7.2
227.14388	3.0
233.13283	2.7
235.14783	9.3
239.14343	6.0
239.17926	6.4
253.15887	7.5
253.19357	3.6
281.22668	6.9
291.21042	12.7
300.31845	2.7
309.22122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2064
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.02387	2.3
53.03724	2.0
53.03946	10.8
55.01871	11.2
55.05518	56.8
57.03437	15.4
57.07081	5.2
59.05006	4.1
59.29507	1.8
65.03937	2.7
67.05510	52.8
69.03415	10.1
69.07068	24.2
69.97971	5.0
69.98367	3.1
71.05001	8.3
71.08646	3.2
77.03929	2.5
79.05025	1.7
79.05495	86.8
81.03409	16.1
81.07062	100.0
83.05001	9.3
83.08620	26.2
85.02934	2.3
85.06544	8.4
90.22414	1.8
91.04910	3.0
91.05485	48.9
93.07050	98.9
95.04967	25.3
95.08625	33.4
97.06538	19.8
97.10175	37.0
99.08125	9.0
103.05423	2.9
105.04533	4.3
105.07036	27.6
105.40653	2.0
107.04976	13.8
107.08600	30.2
109.06525	40.8
109.10156	8.7
111.04467	4.2
111.08088	8.8
113.06007	14.0
115.05456	2.5
117.03431	2.1
117.07056	13.7
119.04927	2.8
119.08585	23.6
121.06542	9.8
121.10149	36.1
123.04425	3.3
123.08075	31.4
123.11722	9.2
125.09643	30.8
127.07563	4.0
128.06229	6.4
129.07024	9.4
131.08580	15.9
133.06497	4.2
133.10133	13.5
135.08083	15.3
135.11707	10.4
137.09621	6.1
139.11102	2.3
140.71719	1.8
141.06976	3.5
142.07784	3.5
143.08560	7.1
145.06557	4.0
145.10165	12.5
147.04453	2.3
147.08026	10.1
147.11717	7.7
149.05978	2.0
149.09644	8.0
149.13248	4.7
151.07507	1.9
153.07112	2.7
153.09079	3.2
154.07834	1.9
154.19661	1.8
156.09349	2.2
157.10158	9.1
159.08182	3.9
159.11742	7.6
161.09657	5.4
161.13298	2.0
163.07565	3.4
163.11168	5.6
165.09097	4.2
167.08600	4.2
167.14383	2.1
169.10153	5.4
169.12315	2.5
171.08087	4.5
171.10153	3.6
171.11664	3.8
173.09677	2.8
175.11183	5.7
177.05545	2.2
177.12753	3.0
185.09660	5.6
185.13319	2.2
187.07571	3.3
187.11214	5.1
189.11221	24.6
189.12773	3.0
193.12352	3.2
195.13838	2.9
199.11160	2.7
205.12230	3.3
211.13229	2.6
213.09111	7.2
217.15930	7.4
221.15384	3.6
223.13335	7.6
235.16994	3.0
241.08620	2.2
245.19101	2.3
255.17413	4.2
259.09689	2.0
263.20169	2.0
267.13797	4.8
273.18509	19.8
291.19562	41.9
309.11224	6.5
309.15057	3.7
309.21048	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03945	12.4
55.01869	8.2
55.05513	12.8
57.03438	26.3
65.03935	4.4
67.05180	3.7
67.05509	50.8
69.03419	4.2
69.07069	18.1
70.05962	4.5
70.06361	6.7
71.05000	10.0
72.71399	1.9
75.04478	3.5
79.05496	57.9
81.03429	18.9
81.07059	100.0
83.04979	8.0
83.08611	9.2
85.06536	9.0
91.05481	46.8
93.07039	43.9
95.04977	12.6
95.08611	36.4
97.06527	16.3
97.10197	5.2
99.08090	10.3
105.07034	36.1
107.04974	11.2
107.08596	27.5
109.05796	4.1
109.06520	60.8
109.10168	14.0
111.04411	2.3
111.08073	5.1
113.05978	3.3
115.05357	2.3
117.07030	17.9
119.08589	25.9
121.06538	11.4
121.10149	23.1
123.08077	8.7
123.11694	2.9
123.73456	2.2
125.09639	4.2
127.07603	2.6
129.07037	6.1
131.08569	21.6
133.06555	3.4
133.10127	21.5
135.08064	14.6
135.11685	8.0
137.09621	2.7
139.15793	2.3
141.06934	2.6
143.08572	8.2
145.06522	4.8
145.10112	18.3
147.08026	4.3
147.11681	7.3
149.09618	7.5
149.13234	2.2
151.11179	3.9
155.08524	3.0
157.10120	8.9
159.08139	2.6
159.11687	9.4
161.09631	4.4
161.13344	3.0
163.11166	4.1
169.10207	3.6
171.11734	5.1
173.13341	2.9
175.11208	3.6
177.12779	2.2
185.13139	2.7
187.11177	6.1
189.16422	4.2
195.13864	3.5
199.14758	5.5
201.12735	3.8
203.14233	2.4
216.47298	2.4
217.15895	12.9
219.13765	4.0
221.15297	2.5
223.13266	3.1
227.17848	3.7
235.16939	4.5
236.23441	2.1
237.16580	2.9
245.18977	2.4
248.10788	2.2
255.17525	3.4
262.50952	2.5
263.20117	4.1
273.18500	18.0
291.16528	4.0
291.19580	43.4
309.14996	2.5
309.20840	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	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.00204	1.7
53.03939	7.0
55.01874	20.1
55.05515	31.9
56.96561	2.3
57.03435	6.0
57.07076	3.7
59.04998	2.0
65.03940	4.0
66.95497	1.5
67.05508	83.0
69.03428	4.7
69.07073	26.1
71.05000	11.0
71.08630	3.0
77.03930	3.0
79.05495	55.2
81.03415	4.6
81.07058	93.9
82.07386	1.9
83.01358	3.4
83.04979	18.4
83.08616	10.0
85.02895	2.9
85.06540	9.1
86.41351	1.7
91.05482	63.9
93.07041	52.2
95.04982	12.7
95.08617	34.1
97.02882	2.8
97.06551	9.7
97.10182	6.3
98.21583	3.4
99.04457	5.6
99.08053	2.2
105.04492	3.0
105.07030	55.1
107.04965	9.3
107.08597	53.7
109.06549	11.1
109.10162	81.8
111.04439	5.0
111.08121	9.5
113.06008	4.1
115.07496	1.8
117.07037	9.6
119.08586	21.2
121.06511	12.0
121.10131	16.1
123.04417	4.5
123.08076	8.9
123.11730	15.0
125.06006	2.5
125.09617	4.9
127.07536	5.1
128.06201	2.9
129.06982	4.5
131.08563	12.9
133.06520	11.4
133.10136	100.0
135.08093	8.9
135.11679	11.4
137.05962	5.0
137.09598	5.9
139.07571	8.6
143.08595	10.3
145.10118	11.4
147.08067	11.0
147.11687	8.9
149.09622	6.8
149.13264	3.0
151.07571	2.6
151.11188	55.7
153.09167	2.3
157.10086	8.2
159.08055	3.6
159.11623	4.2
161.09624	11.8
161.13231	3.5
163.11197	5.7
165.09052	2.0
167.10670	2.0
169.12256	12.4
171.08133	2.1
171.11705	4.6
173.13196	2.0
175.11198	5.3
179.10608	3.6
179.14297	2.3
181.08595	4.9
181.10185	2.2
183.11711	2.4
185.13295	2.9
189.12715	3.9
197.13264	2.1
199.11201	2.7
199.14755	2.2
215.12772	2.9
217.12207	3.2
227.18068	2.9
230.24570	2.1
235.41710	1.7
237.16647	1.9
245.19029	13.3
255.17537	3.6
263.20050	11.9
273.18503	35.0
291.19528	57.5
309.20840	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03951	3.3
53.65575	1.4
55.01867	3.7
55.05517	33.6
56.96557	3.8
57.03439	1.7
57.07082	2.2
59.05005	1.2
67.05514	14.9
69.03423	5.1
69.06793	1.2
69.07082	12.4
72.57431	1.2
73.61628	1.3
79.05501	18.8
81.03410	2.7
81.07068	24.8
83.04982	4.5
83.08624	16.4
85.06537	2.1
91.05490	12.0
91.58273	1.2
93.07048	14.0
95.04974	6.3
95.08621	10.0
97.06523	2.9
97.10177	22.2
105.07030	9.1
107.05009	2.8
107.08631	10.8
109.02838	1.6
109.10181	4.9
111.04475	2.5
111.08096	2.3
112.47763	1.1
117.07025	4.5
119.08586	7.9
119.27907	1.1
121.06539	2.0
121.10138	4.4
121.48206	1.2
123.08084	10.0
125.09638	21.4
129.07036	2.7
131.08556	4.1
133.06523	3.4
133.10143	4.3
135.08076	2.8
135.11772	1.5
137.09637	1.8
143.08604	2.1
143.10652	1.6
145.10182	4.3
147.08066	6.3
147.11700	2.6
155.00975	1.2
159.08098	1.5
161.09669	1.4
163.11234	2.9
165.09143	3.9
171.11758	1.8
172.35486	1.4
175.11198	2.4
189.11252	10.3
189.12814	2.2
193.12241	1.8
199.11143	1.8
223.13368	3.7
223.30077	1.3
227.18004	1.3
245.19002	1.7
249.14941	1.9
255.17477	2.6
265.18115	1.5
268.12228	7.2
273.18521	12.5
277.12759	9.0
277.62918	1.3
288.63507	2.3
291.19562	100.0
292.19833	2.2
309.14716	1.4
309.20715	5.3
309.24158	2.5
313.41943	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2063
Annotation	Soraphen O
Peak:m/z	Relative Intensity
52.93831	1.5
53.03947	1.6
54.20839	1.3
55.01871	6.3
55.05511	6.7
57.03445	35.9
57.07073	3.3
59.05001	1.6
65.03938	1.8
67.05512	35.4
69.03415	1.7
69.07079	7.2
70.74970	3.1
71.04981	3.8
76.21358	1.4
79.05510	17.6
81.07062	21.4
83.04991	3.5
83.08642	3.1
85.06084	2.6
85.06556	34.1
91.05501	19.1
93.07063	20.5
95.04985	40.3
95.08624	8.9
97.06545	3.5
103.05455	2.1
105.07030	12.7
107.04957	4.4
107.08626	9.8
109.06532	35.8
109.10152	3.4
113.06017	100.0
113.13487	1.7
117.07020	8.5
119.08581	9.7
121.06504	3.1
121.09395	1.8
121.10138	8.4
123.08114	4.0
129.07040	3.7
131.08560	12.3
133.06488	1.6
133.10127	6.0
135.08070	31.8
135.11711	3.3
143.08577	5.8
144.29158	1.4
145.10178	7.7
147.08089	2.7
149.09593	2.9
155.08580	1.9
157.10162	4.1
159.08055	3.2
161.09631	3.7
163.11142	2.8
171.11723	2.7
173.13304	2.9
177.12749	1.8
195.11835	1.9
199.14812	2.9
201.12799	1.9
217.15886	13.9
235.17146	1.7
245.18973	2.8
255.17413	2.3
273.18481	14.3
282.60010	1.6
291.19559	47.5
309.20901	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	309.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
55.01875	5.8
55.05278	1.1
55.05514	12.3
55.85379	1.0
57.03437	22.2
57.07063	3.5
59.05001	2.2
64.21430	1.1
65.03925	4.0
66.51501	1.1
67.05505	32.2
69.03437	2.0
69.06744	1.2
69.07074	16.7
71.04993	10.7
73.02918	2.0
73.06509	1.1
79.05495	25.1
79.20203	1.2
81.03410	1.5
81.06593	2.1
81.07057	40.9
83.04975	4.0
83.08620	3.7
85.02917	1.2
85.06545	12.3
91.05480	26.0
93.07047	100.0
95.04974	37.8
95.08612	16.2
97.06517	15.5
97.10125	1.8
98.20728	2.5
99.03857	1.9
99.04465	30.6
99.08058	1.9
101.05993	4.8
103.03935	4.4
105.04581	1.5
105.07037	41.5
107.04951	2.9
107.08598	16.8
109.06522	15.6
109.10168	4.6
111.04519	1.4
111.08076	3.1
113.06011	9.3
115.07496	1.3
117.07014	3.2
119.04916	4.2
119.08585	26.3
121.06507	44.1
121.10162	3.9
123.04442	2.1
123.08080	3.2
123.11694	4.5
125.06007	1.6
127.07539	8.6
128.06258	1.6
129.05505	8.6
129.07045	5.7
130.98187	1.2
131.08578	7.4
133.06503	2.8
133.10135	32.9
135.04396	1.6
135.08037	5.4
135.11673	1.9
137.05974	3.3
137.09663	1.9
137.13257	1.5
139.07520	9.1
141.06958	1.1
142.07764	6.1
143.08591	9.4
145.10126	10.4
147.08037	6.6
147.11694	33.1
149.13312	2.3
150.78983	1.2
151.07564	2.2
155.08586	1.7
156.08023	1.2
156.09251	5.5
157.08731	1.7
157.10136	20.2
159.08044	1.5
159.11700	2.2
161.06021	2.6
161.09631	4.9
161.13255	11.0
165.12801	1.9
166.07797	1.2
169.08614	62.6
171.10274	1.8
171.11671	19.0
173.09601	3.2
175.07608	2.6
175.11191	24.3
181.10083	2.1
189.12737	37.6
189.14450	1.9
192.52985	1.1
193.12260	10.2
195.10188	26.7
195.11905	2.5
199.11183	12.8
207.13806	13.6
209.08180	1.4
217.12241	49.8
226.91850	1.4
234.06726	1.4
235.13315	9.8
249.09181	1.7
251.12802	4.5
277.08496	2.1
281.11807	2.8
291.15927	6.1
291.19406	1.6
291.26761	2.4
309.11209	4.9
309.16971	55.0
309.27917	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.6
55.01864	6.1
55.05511	17.7
57.03443	17.1
57.07073	2.1
59.04998	1.4
65.03939	1.7
67.05507	21.0
69.03416	4.7
69.07069	14.9
71.04996	10.1
71.50032	1.8
71.50401	1.5
73.02901	2.5
77.03923	1.7
79.05070	2.2
79.05499	28.4
81.03423	4.1
81.07059	61.9
82.04177	2.3
83.04974	5.0
83.08627	5.5
85.02921	2.9
85.06547	18.5
91.05485	35.3
93.07048	100.0
95.04986	12.1
95.08611	21.4
97.02883	4.5
97.06539	17.8
97.10155	4.3
99.04469	24.1
101.06021	4.2
103.05422	1.9
105.04518	4.3
105.07034	68.7
107.04932	5.0
107.08600	26.8
109.02893	2.7
109.06522	23.6
109.10144	11.1
111.04423	1.9
111.08060	3.4
113.05998	1.9
117.07008	5.8
119.04951	2.4
119.08588	43.0
121.06503	26.2
121.10150	8.2
123.08067	4.3
123.11701	10.2
125.06004	1.8
125.09589	1.7
127.07539	9.6
128.06200	3.1
129.05475	6.1
129.06999	8.3
130.07777	1.6
131.08588	9.4
133.06528	7.4
133.10136	32.1
135.08072	6.1
135.11702	6.2
137.05988	2.3
137.09612	1.9
137.13326	1.8
139.07541	7.6
141.06966	2.9
142.07796	5.0
143.08585	14.1
145.06503	1.8
145.10144	13.0
147.08055	6.7
147.11702	57.4
149.09692	2.3
149.13281	4.2
151.07532	3.2
155.08582	2.6
156.07935	1.7
156.09349	5.4
157.10141	17.2
159.08029	2.6
159.11707	4.5
161.09590	7.3
161.13286	18.6
163.11221	3.2
165.09149	2.1
169.10204	2.0
171.08086	2.0
171.10411	2.4
171.11719	15.8
173.09659	3.6
173.13316	1.8
175.11206	17.8
177.12842	1.9
178.08005	1.6
181.10188	2.7
189.11111	2.9
189.12747	36.4
193.12297	3.2
195.10191	3.8
197.41319	1.8
199.11185	11.2
207.13806	9.7
212.38962	1.4
217.12259	29.2
234.06862	1.8
235.13168	8.8
249.18513	2.1
273.18515	5.0
277.08524	3.6
281.11813	2.2
281.89853	1.5
291.16028	5.2
291.19556	13.8
309.11420	10.8
309.17053	34.8
309.20685	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	309.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.2
55.01868	6.9
55.05301	1.5
55.05515	14.0
57.03444	16.0
59.05035	1.3
65.03946	2.8
67.05510	9.6
69.03460	1.2
69.07071	11.4
69.21894	1.2
69.28472	10.6
71.04998	12.7
73.02921	3.3
77.03918	2.1
79.05493	29.6
79.05919	2.5
81.03427	2.8
81.07056	48.1
82.04219	1.8
83.04993	6.1
83.08646	1.3
85.02907	5.1
85.06554	11.3
91.05486	30.7
93.07047	100.0
94.07330	1.6
95.04974	11.0
95.08631	7.3
97.06542	14.9
99.04459	30.9
101.06025	4.9
103.03944	2.3
103.05467	1.7
105.04485	2.2
105.07035	66.0
107.04955	2.7
107.08595	23.2
109.06518	22.1
109.10145	1.6
111.08069	2.3
115.05434	1.9
117.07023	4.1
119.04948	4.8
119.08588	40.3
121.06509	35.2
121.10151	3.1
123.04448	1.8
123.08089	3.5
123.11704	2.3
127.07590	11.3
128.06235	3.7
129.05475	9.8
129.07008	4.5
131.08588	7.8
133.06500	5.0
133.10136	25.0
135.04463	1.3
135.08041	6.2
137.05963	4.2
139.07571	6.3
142.07780	6.7
143.08551	10.3
145.10107	12.8
147.08044	5.6
147.10513	2.8
147.11693	56.3
149.05913	1.8
151.07524	1.9
156.07793	1.6
156.09410	3.4
157.10135	15.5
159.11681	2.3
161.09633	2.9
161.13251	15.5
165.09227	1.7
169.08630	3.6
171.11690	22.6
173.09659	1.8
173.13307	1.6
175.11186	20.4
181.10150	1.5
185.09689	2.1
187.07817	1.3
189.12747	32.9
193.12228	4.2
195.10228	5.3
199.11201	13.5
207.13826	18.5
217.12256	35.1
235.13216	10.8
249.14960	1.3
251.12776	2.1
263.16412	1.5
277.08862	1.6
291.15936	5.5
309.07687	1.4
309.11395	2.8
309.16983	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	308.0912
Annotation	Glutathione
Peak:m/z	Relative Intensity
56.05033	2.3
56.96576	1.1
57.98793	0.7
58.99292	1.2
58.99588	21.9
59.25360	0.5
64.50073	0.6
70.06584	1.4
70.90838	1.0
70.91167	0.7
73.01141	0.6
76.02231	100.0
76.03990	3.2
79.69101	0.5
80.05025	1.9
81.04568	0.6
81.15092	0.5
83.06118	0.9
84.04507	46.6
84.08147	2.1
85.02914	1.5
86.09720	1.4
86.99054	6.0
87.04464	0.7
88.02235	1.9
90.73418	0.6
91.05493	0.8
93.07088	0.6
97.02917	0.7
97.96191	0.6
98.97600	1.3
102.05558	1.5
108.79713	0.5
114.03762	1.5
116.01678	23.8
122.07184	1.1
128.10768	1.0
130.05014	13.6
130.06505	6.4
132.04453	1.2
141.04811	0.9
142.03230	10.0
142.62929	0.5
144.01154	12.7
146.08121	0.7
148.07607	0.9
154.00771	0.6
158.06006	3.1
158.08017	0.7
162.02205	37.9
170.02718	3.5
176.07121	3.8
176.08867	0.7
177.00787	0.9
179.04858	41.1
187.05391	1.9
204.06650	1.1
210.22575	0.6
215.04922	2.3
216.03175	0.6
222.07486	0.7
233.05936	15.1
245.05937	2.8
246.09821	0.6
291.06543	2.4
302.80072	0.6
308.08844	4.7
308.11481	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.3
55.01855	15.9
55.05517	29.4
57.03429	6.4
57.07072	16.0
65.03947	7.4
67.05506	44.7
69.03432	14.4
69.07074	36.9
70.82758	13.2
70.83092	9.9
71.04999	7.1
79.05489	38.5
79.49583	6.3
81.03427	14.2
81.07060	82.2
83.04971	7.5
83.08617	16.2
85.02914	9.0
91.05486	48.0
93.07059	46.8
95.04955	22.5
95.08611	55.8
97.06560	11.9
97.10141	11.4
105.07027	38.2
107.04963	8.4
107.08598	25.5
109.02848	11.4
109.06510	12.4
109.10167	29.2
111.04420	16.5
111.11717	7.8
115.05462	16.6
115.91291	6.1
116.06191	5.4
117.07023	18.2
119.04910	13.1
119.08590	35.1
121.06515	15.9
121.10140	29.8
123.04427	13.4
123.11691	24.8
125.09574	8.9
128.06204	39.9
129.07028	49.1
131.04900	7.9
131.08583	33.6
133.06435	12.3
133.10178	10.4
135.04413	9.9
135.08093	7.7
135.11725	11.8
135.85133	5.5
137.09584	14.2
137.13304	7.2
141.06992	21.9
142.07796	29.2
143.08554	51.2
145.06483	32.4
145.10152	15.4
147.08070	22.7
147.11688	11.3
149.06012	7.2
152.06277	15.6
153.07034	7.7
154.07741	18.9
155.08543	18.6
157.06499	8.6
157.10107	26.4
159.08057	30.5
159.11714	7.0
160.05232	10.1
161.05983	9.8
161.09599	17.5
165.07047	10.5
167.08559	16.5
169.06584	7.5
169.10158	23.5
171.08107	44.2
172.08974	8.4
173.05948	21.3
173.09647	14.2
174.06772	7.1
175.07536	11.1
178.07898	7.7
185.09598	50.5
186.06807	7.4
187.07523	27.1
187.11180	24.6
188.08311	19.6
189.09099	45.1
195.08031	19.8
197.09613	24.8
199.07559	31.3
200.08374	7.9
201.09143	32.7
203.10681	11.5
209.09917	6.7
213.09148	51.5
215.10693	100.0
217.08595	25.0
227.10750	5.8
229.08607	24.3
231.10191	29.7
233.11670	9.7
241.08583	45.1
243.10121	13.3
245.11755	14.6
259.09644	78.5
273.11069	15.1
273.18390	5.9
277.08328	8.3
277.10983	13.7
279.47836	6.1
291.12247	21.8
291.19666	11.0
309.10861	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	307.2631
Annotation	Crinitol
Peak:m/z	Relative Intensity
53.03929	2.0
55.01867	2.8
55.05516	13.3
57.03427	2.0
57.07066	5.5
59.04999	2.1
65.03942	2.4
67.05505	20.1
69.03419	4.5
69.07069	89.9
69.70100	6.3
69.70517	3.0
70.06586	2.1
71.04983	2.7
71.08635	1.9
79.05492	17.0
81.07058	100.0
83.04977	2.9
83.08604	7.1
85.06528	2.7
86.73540	1.7
91.05473	10.7
92.13732	1.6
93.07043	44.0
95.04961	6.2
95.08611	29.6
97.06530	13.0
97.10145	6.7
99.08022	1.7
101.38226	1.5
105.07044	16.1
107.08591	37.3
109.06523	8.7
109.10161	24.9
111.08082	22.5
111.11714	20.8
117.86919	1.6
119.08568	7.7
121.10131	14.2
123.08048	2.3
123.11716	27.8
125.09618	2.0
129.07002	1.7
131.08549	3.4
133.10129	21.6
135.11714	7.7
137.13228	7.2
139.11195	28.6
139.12253	3.2
145.10109	3.9
147.11655	4.9
149.13243	8.1
151.11185	42.9
159.11693	5.4
161.13252	3.8
163.14853	3.9
165.12730	4.9
169.12279	4.5
175.14749	2.3
177.16388	2.6
178.79355	1.4
201.16400	2.2
203.17834	2.4
207.17430	2.2
215.17885	1.9
245.22926	5.6
271.24194	4.1
289.25330	9.4
307.09702	1.6
307.26416	45.6
324.47391	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2632
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03938	3.1
55.01859	3.8
55.05518	11.4
57.03423	2.2
57.07086	5.0
59.04996	1.7
61.70097	1.1
65.03938	1.7
67.05511	19.9
69.03422	4.1
69.07074	41.9
70.06573	3.0
70.82755	1.1
70.83102	2.6
71.04974	4.7
71.08607	1.6
79.05494	15.5
81.07062	100.0
83.04969	3.2
83.08623	5.3
84.08112	1.1
85.06525	4.7
91.05490	12.3
93.07048	44.5
95.04974	6.3
95.08615	23.5
97.06527	8.4
97.10149	2.8
99.04421	1.3
99.08073	1.6
101.05977	1.1
105.07043	27.9
107.04940	1.1
107.08601	41.0
109.06535	9.2
109.10155	22.4
111.08102	21.9
111.11748	6.7
117.07006	1.8
119.04932	1.5
119.08592	9.9
121.06474	1.9
121.10153	10.5
123.08059	3.1
123.11713	21.9
125.09644	5.0
129.06966	1.7
131.08560	4.4
133.10143	35.3
135.11691	4.7
137.09596	1.2
137.13242	4.8
139.11194	12.8
143.08578	1.5
145.06471	1.4
145.10150	6.1
147.08066	1.5
147.11668	11.2
149.13255	5.5
151.11191	44.5
153.12709	1.1
157.10120	2.2
159.11676	3.9
161.13264	2.2
163.11189	1.9
163.14789	2.1
165.12779	7.5
167.14301	1.3
169.08615	1.9
169.10100	1.4
169.12231	6.2
173.09610	1.6
173.13350	1.3
175.11183	7.1
175.14801	2.5
177.16406	3.0
179.14374	1.2
187.11168	2.7
191.18082	1.1
191.76103	1.2
195.17693	1.1
200.67044	1.1
201.20480	1.8
215.10602	1.9
215.17986	2.2
245.22958	4.9
271.13034	1.2
271.24097	3.2
277.25385	1.6
289.25262	8.1
303.74707	1.0
307.09589	1.8
307.15347	6.5
307.18677	1.7
307.26413	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.263
Annotation	Decaryiol
Peak:m/z	Relative Intensity
50.06643	0.8
55.01869	1.4
55.05515	7.9
57.07080	5.4
67.05516	9.2
69.03426	2.4
69.07076	49.6
70.06601	14.3
70.41508	1.0
70.41857	2.9
71.04990	1.5
71.06924	5.1
71.08619	3.8
72.08164	1.5
72.08952	1.3
79.05498	5.2
81.06593	1.9
81.07065	30.7
83.04995	1.0
83.08617	3.5
84.08134	1.4
85.06530	1.9
86.09704	1.5
87.10052	1.1
88.07655	7.2
89.07966	2.1
91.05475	3.8
93.07052	12.7
95.04984	2.9
95.08617	15.7
97.06531	3.7
97.10167	2.6
99.04465	2.4
99.08115	0.9
101.06052	1.0
102.09187	3.9
103.05491	0.9
105.07038	9.5
107.08609	11.2
109.06532	3.0
109.10182	9.1
111.08085	5.1
111.11718	10.6
111.32724	0.9
115.29078	1.0
117.07024	1.5
119.08599	3.2
121.10160	10.1
123.11741	8.3
125.09581	1.3
131.08598	0.9
132.10210	3.1
133.10196	3.0
135.11719	2.8
137.13275	2.8
139.11180	13.1
145.10149	2.6
146.11778	4.1
147.11922	4.4
149.13266	2.0
151.11179	8.5
151.14821	1.2
153.12846	1.7
157.17815	1.3
159.11641	1.7
165.12750	3.9
167.14275	1.0
169.08571	1.0
175.14949	0.9
179.24782	0.9
182.05150	0.8
183.19424	1.0
187.11293	1.2
200.20113	4.1
201.20445	12.7
215.10681	1.2
219.08145	1.0
244.22702	4.8
245.23088	28.5
247.07416	1.2
247.09862	1.1
264.07874	1.0
271.24329	1.2
277.25266	0.9
289.14508	1.0
289.25296	5.4
307.09644	3.1
307.26706	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2632
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
51.04075	1.4
53.03939	3.9
55.01868	4.0
55.05510	21.7
56.44105	1.3
57.03423	4.9
57.07070	8.9
57.07310	1.3
59.04991	3.0
65.03917	1.6
67.05506	28.3
69.03426	8.8
69.07068	86.3
70.52522	2.9
70.52922	2.7
70.96752	1.4
71.04981	6.4
71.08624	3.6
75.60326	1.3
77.03923	1.5
79.05074	1.8
79.05499	24.8
81.03405	1.8
81.07058	100.0
83.04968	6.1
83.08225	1.5
83.08628	17.9
85.06547	9.4
91.05493	21.0
93.07047	50.0
95.04967	8.1
95.08607	54.8
97.02859	2.0
97.06553	8.6
97.10175	3.5
99.04458	6.7
99.08085	3.4
101.65628	1.3
103.05408	1.9
105.07027	54.3
107.04929	3.5
107.08595	36.9
109.06514	11.1
109.10156	30.5
111.08086	17.0
111.08799	2.3
111.11726	22.3
113.05941	2.1
117.06994	5.6
119.08579	22.3
120.05712	1.7
121.06516	5.0
121.10143	39.7
121.84490	1.6
122.03867	1.4
123.08093	4.8
123.11710	38.7
125.05982	1.7
125.09635	7.1
127.07610	1.7
128.06238	1.9
129.06953	1.9
130.07733	2.2
131.04880	1.8
131.08551	9.6
133.06493	2.8
133.10115	11.2
135.08047	3.9
135.11691	14.3
137.09619	2.5
137.13280	11.5
139.07555	2.1
139.11182	20.5
143.08580	4.1
144.09352	1.9
145.06470	3.3
145.10129	17.7
147.08035	1.7
147.11696	24.4
149.09604	2.3
149.13266	6.4
151.11186	14.2
151.14793	1.8
151.83646	1.4
153.12727	9.6
159.08064	3.4
159.11684	14.6
161.09592	2.0
161.13226	2.3
163.07451	2.0
163.11157	2.0
163.14822	3.0
165.12761	29.6
167.14322	3.6
169.08688	3.2
169.10078	3.1
169.12299	3.3
173.09637	6.9
173.13255	2.0
175.07539	1.4
175.14885	3.7
177.09032	1.8
177.16379	1.9
179.08498	1.9
179.14323	1.5
187.11174	14.4
187.14777	2.5
189.12823	1.6
189.16376	3.0
189.37228	1.4
191.10667	3.1
205.12305	2.9
215.10744	7.3
215.17918	2.2
219.07970	2.6
221.05981	2.0
230.47086	1.5
231.06470	3.1
233.11597	3.1
235.07507	2.2
251.10651	4.0
260.71811	1.5
264.07788	2.8
271.24243	2.4
277.25159	3.0
289.14667	2.4
289.17935	2.8
289.25244	12.5
307.09491	7.0
307.15344	11.3
307.19055	4.7
307.26358	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
51.11279	2.2
53.03945	7.1
55.01872	10.7
55.05523	28.1
57.03432	13.4
57.24636	2.5
58.59012	2.4
59.04984	4.5
65.03942	5.9
66.63151	2.7
67.05508	64.3
69.03411	3.9
69.07072	29.9
69.67556	15.7
71.04990	6.5
79.05496	49.4
81.03416	9.4
81.07063	85.3
83.04998	9.7
83.08626	15.5
85.06548	5.7
91.05489	47.2
93.07050	56.5
93.07640	3.4
95.04971	40.3
95.08612	46.1
97.06528	14.8
97.10173	6.2
98.20853	5.4
98.98461	4.3
99.08133	3.0
105.07034	58.0
107.04949	13.3
107.08607	35.6
109.06519	23.5
109.10161	26.8
111.08080	7.5
113.62206	2.6
117.07013	12.9
119.08582	45.0
121.06511	9.8
121.10133	24.8
123.08072	20.8
123.11700	7.2
125.09647	6.3
129.07051	5.1
131.08595	20.7
133.10150	31.0
135.08037	10.0
135.11693	14.1
137.05994	8.1
137.09624	17.3
138.06306	5.5
143.08577	5.0
145.10141	18.9
147.11702	25.2
149.09630	18.5
151.11147	8.1
153.09160	2.8
157.10139	5.9
159.11714	19.9
161.13293	8.0
163.11215	9.8
165.12805	5.2
169.09995	4.6
173.13300	12.9
175.11211	4.5
177.12836	3.7
183.11758	6.0
185.13293	4.0
187.14844	3.7
189.16536	2.6
193.11987	3.3
197.13214	4.7
201.12814	5.7
201.16692	2.8
205.15828	3.9
210.18011	2.7
219.17447	15.5
229.19574	6.2
233.15450	3.7
233.18874	3.4
235.16925	3.7
239.17990	7.4
247.20602	9.0
257.18954	17.0
275.20090	100.0
285.91708	2.6
289.21652	12.5
307.22812	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	307.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01868	2.4
55.05508	8.1
56.04503	0.9
57.03442	20.8
59.05008	1.1
65.03949	1.1
67.05181	1.5
67.05508	19.5
69.07065	7.0
69.32444	3.5
69.32870	5.5
71.04998	1.5
79.05497	18.1
81.03414	1.8
81.07060	20.8
82.08707	0.9
83.04971	1.8
83.08623	5.0
85.06531	3.8
91.05485	24.3
93.07050	23.3
95.04965	2.0
95.08610	16.2
97.06576	2.0
97.10172	3.8
98.20798	2.1
99.04448	2.4
99.08096	1.4
105.07035	16.6
107.04948	3.2
107.08601	12.5
109.06513	7.2
109.10145	5.8
112.58894	0.9
114.33999	0.9
117.07037	10.2
119.08582	16.7
121.06512	2.9
121.10156	9.8
123.08083	3.1
123.11679	1.5
129.07010	3.4
131.08574	11.0
133.10150	8.5
135.08083	1.9
135.11664	4.7
137.06010	1.7
137.09633	3.5
143.08553	3.9
143.09598	0.9
145.10101	5.8
147.11720	4.6
149.09656	4.5
151.11156	1.5
157.10086	1.2
159.11678	7.1
161.13264	3.2
163.11169	1.8
173.13216	3.4
175.11266	1.2
175.14851	2.0
180.52153	1.1
185.13222	7.9
187.66576	1.0
201.16359	5.8
203.14369	8.4
209.15320	1.4
219.17450	100.0
220.17804	1.7
235.16837	5.3
239.17970	1.8
257.18994	4.5
275.20084	18.2
275.23053	0.7
280.60962	1.0
289.21582	1.7
307.23019	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	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01866	6.0
55.05517	19.1
57.03426	4.9
57.07074	1.4
65.03941	1.8
67.05510	43.3
68.05833	3.2
69.07072	19.9
70.07403	2.3
71.05000	2.6
71.08635	1.8
71.51720	1.4
76.40747	1.2
77.03874	1.5
79.05070	2.1
79.05505	29.5
81.03403	5.3
81.06590	2.9
81.07065	55.6
82.07392	2.9
83.04961	2.5
83.08622	10.7
85.05276	2.4
85.06531	2.8
91.05496	24.0
93.07055	26.2
95.04987	20.4
95.08618	33.7
96.08940	3.4
97.06532	7.9
97.10175	4.6
98.06062	11.6
99.06364	3.0
105.07043	28.7
107.04946	5.4
107.08606	18.1
109.06517	12.4
109.10169	15.0
111.08079	2.5
116.06200	1.2
117.07030	8.9
119.08593	23.8
121.06507	5.1
121.10160	16.2
123.08077	12.0
123.11707	4.5
125.09582	1.8
129.07013	2.8
131.08595	12.9
133.10158	17.8
135.08041	6.2
135.11728	6.4
136.16145	1.3
137.05971	2.7
137.09637	8.3
138.06345	2.3
139.11174	1.5
143.08589	2.0
145.10143	11.0
147.08076	2.3
147.11719	14.6
149.09647	7.9
149.13284	2.4
151.11218	3.7
155.08557	2.5
155.85565	1.7
157.10153	4.5
159.11716	10.5
161.13287	4.9
163.11223	4.5
165.12778	3.5
171.11719	2.7
173.09673	1.6
173.13242	6.3
175.11200	2.2
177.12813	2.0
177.79097	1.2
183.11742	1.8
187.11208	2.0
187.14778	1.9
197.13298	2.1
201.12758	2.3
201.16409	1.4
203.14351	1.8
207.13788	2.3
215.18094	1.4
219.14018	1.8
219.17487	5.8
229.15942	2.1
229.19576	3.0
233.15440	1.8
235.17018	2.0
239.17923	4.7
247.20622	5.0
257.19037	7.4
275.20093	55.1
289.21716	6.6
307.23041	21.1
307.28268	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2057
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
52.48802	2.2
53.03944	3.2
55.01856	2.9
55.05500	7.3
57.03433	3.2
59.54801	1.8
62.29533	2.0
63.81182	2.1
67.05509	14.2
69.03435	2.9
69.07062	12.0
70.45230	6.8
71.04983	2.2
73.07591	2.5
79.05505	15.2
79.64474	2.4
81.07058	18.8
83.04994	2.4
83.08604	2.5
84.51208	2.0
91.05487	21.4
93.07044	16.0
95.04979	19.2
95.08602	12.3
97.06531	12.3
103.05443	2.8
105.07027	29.6
107.05009	2.5
107.08606	14.0
107.25325	1.9
109.06499	6.7
109.10123	4.9
115.05405	3.2
117.07064	12.6
119.08588	34.7
121.06515	4.8
121.10134	8.4
123.08098	3.7
128.06255	12.0
129.06998	8.6
130.07729	3.8
131.08582	14.9
133.10138	45.5
135.08047	3.6
141.07007	7.6
142.07777	14.2
143.08562	29.0
144.09326	2.9
145.06461	4.1
145.10135	22.4
147.08020	7.2
147.11682	5.5
149.09674	3.8
151.07524	4.8
153.07036	2.8
154.07791	8.3
155.08563	9.7
156.09348	9.4
157.10159	22.3
158.10918	3.9
159.08067	4.5
159.11685	19.7
161.09615	9.2
165.07014	5.2
166.07813	4.1
167.08543	12.1
168.09360	3.3
169.10091	22.7
170.10904	2.7
171.11711	13.1
173.13312	12.8
178.07762	2.4
179.08568	9.4
180.09389	3.9
181.10100	9.5
182.10919	12.2
183.11655	10.6
185.13261	3.1
187.11195	4.6
192.09348	3.6
193.10138	17.8
194.10847	6.5
195.11729	11.6
196.12469	4.6
197.13213	14.1
199.14899	2.8
205.10175	5.2
206.10930	11.2
207.11713	19.5
208.12468	7.7
209.13252	18.2
211.14748	11.6
217.10158	3.0
218.10945	3.9
219.11746	8.7
220.12505	6.1
221.09631	2.5
221.13268	22.9
222.14064	4.0
223.14862	14.4
227.14328	3.1
229.12289	2.7
231.11673	4.6
232.12544	3.9
233.13255	12.0
234.14020	5.2
235.14842	7.3
237.12799	3.4
237.16357	7.4
244.12527	3.9
245.13297	4.7
246.13734	2.7
247.14871	9.4
248.15604	6.6
249.16341	11.1
251.14281	8.5
251.17949	3.9
259.14825	10.2
261.16238	4.6
263.17996	23.6
265.16061	4.2
265.19287	2.4
274.17258	5.0
279.21082	8.6
289.19556	21.2
292.18195	2.5
307.17410	7.0
307.20547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.1
55.05524	6.5
59.89196	0.8
63.50017	0.8
66.16499	0.9
67.05513	4.6
67.73208	0.8
69.03439	1.6
69.07065	5.6
71.05006	1.5
71.08503	1.5
75.85183	0.8
79.05494	9.9
81.07059	4.3
83.04993	5.0
83.08606	1.2
84.27248	0.9
87.14184	0.9
91.05495	3.9
91.35529	0.9
93.07045	2.5
95.04996	2.2
95.08613	3.6
97.06538	44.7
103.05504	1.0
105.07055	2.4
107.08595	2.0
109.06535	2.1
109.10185	2.0
111.08108	1.3
117.07016	1.5
119.08604	1.9
121.01125	1.2
121.06544	1.9
121.10199	2.8
123.08081	1.1
125.09655	0.9
131.33392	0.8
133.10182	2.7
135.08109	1.2
137.09544	0.8
143.08609	1.2
145.10197	1.7
146.03648	1.9
149.00627	1.2
150.01376	1.0
152.06180	1.6
153.05510	0.9
155.06651	0.8
159.11729	2.0
161.05994	1.6
165.03761	1.3
165.07042	1.9
167.08629	3.2
177.05510	2.4
178.06288	6.4
179.01704	4.5
195.08087	11.4
202.09924	1.0
207.04745	4.2
209.02766	1.8
211.04247	12.0
219.13826	1.0
221.02689	1.4
223.07553	54.6
241.08636	4.6
245.15157	3.2
246.10524	1.8
247.13208	2.2
251.07069	1.0
263.07465	6.3
274.12155	2.1
275.20239	3.2
289.14584	1.8
289.18021	2.2
293.13779	1.0
307.09836	5.9
307.15271	100.0
308.15494	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
56.96564	3.9
57.03439	0.5
61.01152	16.3
65.48852	0.4
67.05487	0.5
67.46449	0.4
69.03416	1.3
69.07068	0.9
70.02953	0.6
70.06592	1.2
70.21605	1.0
70.22006	1.0
72.93788	0.7
76.02238	0.7
79.05485	0.6
81.03411	0.5
84.04493	1.5
84.08147	83.5
85.02905	1.4
86.09695	0.8
91.05471	0.9
93.07046	0.6
97.02892	0.9
98.97582	4.5
98.98499	0.7
99.04459	0.6
101.00865	0.7
109.02893	0.7
110.97561	1.0
112.99068	0.6
116.98615	2.0
119.01931	1.0
120.08224	0.7
122.07166	2.1
124.07600	0.7
127.03935	0.9
128.98589	1.6
130.04987	0.6
130.06538	3.3
130.08643	0.8
131.00153	0.7
131.01933	0.8
132.04471	1.3
132.08434	100.0
132.95818	0.9
133.03494	0.8
133.08778	0.9
136.03987	0.6
144.04765	1.6
145.01756	0.5
145.03482	0.8
146.05977	0.9
146.99574	0.8
152.07079	1.3
156.98111	0.5
157.07616	3.3
158.05992	4.1
158.99637	0.9
159.09322	0.6
161.01186	0.7
161.02873	1.0
163.02568	0.8
164.08191	2.4
165.00714	0.9
174.99127	2.2
175.08661	1.2
181.03447	2.4
189.00734	1.0
193.00186	3.3
199.04413	0.7
201.04327	0.6
201.06175	0.9
202.07156	0.6
203.04001	0.5
207.01781	1.3
207.04999	0.6
217.23201	0.5
219.05386	0.9
223.04477	0.7
237.02850	0.5
243.11369	1.1
245.09216	0.6
247.01187	1.4
259.04559	0.5
261.08557	1.6
265.05853	1.1
289.08212	0.8
289.11557	1.0
289.15579	1.2
307.06509	1.7
307.12891	3.2
307.16797	16.0
308.11896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	2.6
56.96568	0.8
58.06602	4.3
61.01147	0.8
69.03439	1.4
69.07067	1.0
70.06615	1.0
71.49199	0.7
72.08190	0.8
74.59237	0.6
74.67745	0.6
84.04514	28.6
84.08150	100.0
85.02914	1.4
86.06075	8.8
86.09714	9.3
88.04009	4.1
90.32748	0.6
98.97619	0.9
98.98461	1.5
101.57610	0.7
102.05526	0.6
110.97693	0.7
116.98613	0.8
130.06554	6.2
130.08664	1.6
140.03473	0.9
141.13872	7.8
144.10201	1.0
145.08549	0.7
146.06020	2.4
150.09062	0.8
155.01042	0.9
157.07629	4.2
158.06030	6.0
161.06010	0.9
164.10854	0.8
169.13370	11.0
175.08725	2.1
176.07130	0.8
187.07834	0.7
198.11371	1.4
213.16061	0.7
215.13924	39.6
232.52864	0.6
243.17062	46.4
245.09196	0.8
261.08777	1.6
262.11249	1.8
289.12045	1.4
307.13245	1.5
307.16864	13.4
END